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 1oz0_1_B DATA FIRST_RESID 4 DATA SEQUENCE RQQLALLSVS EKAGLVEFAR SLNALGLGLI ASGGTATALR DAGLPVRDVS DATA SEQUENCE DLTGFPEMLG GRVKTLHPAV HAGILARNIP EDNADMNKQD FSLVRVVVCN DATA SEQUENCE LYPFVKTVSS PGVTVPEAVE KIDIGGVALL RAAAKNHARV TVVCDPADYS DATA SEQUENCE SVAKEMAASK DKDTSVETRR HLALKAFTHT AQYDAAISDY FRKEYSKGVS DATA SEQUENCE QLPLRYGMNP HQSPAQLYTT RPKLPLTVVN GSPGFINLCD ALNAWQLVKE DATA SEQUENCE LKQALGIPAA ASFKHVSPAG AAVGIPLSEE EAQVCMVHDL HKTLTPLASA DATA SEQUENCE YARSRGADRM SSFGDFIALS DICDVPTAKI ISREVSDGVV APGYEEEALK DATA SEQUENCE ILSKKKNGGY CVLQMDPNYE PDDNEIRTLY GLQLMQKRNN AVIDRSLFKN DATA SEQUENCE IVTKNKTLPE SAVRDLIVAS IAVKYTQSNS VCYAKDGQVI GIGAGQQSRI DATA SEQUENCE HCTRLAGDKA NSWWLRHHPR VLSMKFKAGV KRAEVSNAID QYVTGTIGED DATA SEQUENCE EDLVKWQAMF EEVPAQLTEA EKKQWIAKLT AVSLSSDAFF PFRDNVDRAK DATA SEQUENCE RIGVQFIVAP SGSAADEVVI EACNELGITL IHTNLRLFHH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 R HA 0.000 nan 4.340 nan 0.000 0.208 4 R C 0.000 176.302 176.300 0.003 0.000 0.893 4 R CA 0.000 56.104 56.100 0.007 0.000 0.921 4 R CB 0.000 30.303 30.300 0.005 0.000 0.687 5 Q N 1.945 121.745 119.800 0.000 0.000 2.327 5 Q HA 0.209 4.549 4.340 -0.000 0.000 0.254 5 Q C -0.712 175.284 176.000 -0.007 0.000 0.952 5 Q CA 0.014 55.813 55.803 -0.007 0.000 0.884 5 Q CB 1.128 29.860 28.738 -0.011 0.000 1.224 5 Q HN 0.305 nan 8.270 nan 0.000 0.422 6 Q N 2.584 122.374 119.800 -0.016 0.000 2.212 6 Q HA 0.518 4.858 4.340 -0.000 0.000 0.238 6 Q C -0.578 175.402 176.000 -0.033 0.000 0.955 6 Q CA -0.477 55.315 55.803 -0.019 0.000 0.906 6 Q CB 1.324 30.050 28.738 -0.020 0.000 1.215 6 Q HN 0.583 nan 8.270 nan 0.000 0.478 7 L N -0.142 121.058 121.223 -0.038 0.000 2.279 7 L HA 0.852 5.192 4.340 -0.000 0.000 0.262 7 L C -0.752 176.077 176.870 -0.069 0.000 1.019 7 L CA -1.200 53.607 54.840 -0.054 0.000 0.823 7 L CB 1.752 43.781 42.059 -0.051 0.000 1.358 7 L HN 0.604 nan 8.230 nan 0.000 0.432 8 A N 1.676 124.444 122.820 -0.086 0.000 2.332 8 A HA 0.628 4.948 4.320 -0.000 0.000 0.300 8 A C -1.218 176.310 177.584 -0.093 0.000 1.153 8 A CA -0.393 51.583 52.037 -0.102 0.000 0.764 8 A CB 1.217 20.127 19.000 -0.151 0.000 1.174 8 A HN 0.512 nan 8.150 nan 0.000 0.467 9 L N 3.438 124.612 121.223 -0.081 0.000 2.281 9 L HA 0.678 5.018 4.340 -0.000 0.000 0.285 9 L C -1.305 175.530 176.870 -0.058 0.000 1.074 9 L CA -0.037 54.758 54.840 -0.075 0.000 0.817 9 L CB 0.521 42.528 42.059 -0.086 0.000 1.168 9 L HN 0.518 nan 8.230 nan 0.000 0.434 10 L N 4.975 126.167 121.223 -0.051 0.000 2.349 10 L HA 0.655 4.995 4.340 -0.000 0.000 0.278 10 L C -0.284 176.578 176.870 -0.013 0.000 0.996 10 L CA -0.031 54.792 54.840 -0.028 0.000 0.825 10 L CB 1.800 43.834 42.059 -0.042 0.000 1.243 10 L HN 0.655 nan 8.230 nan 0.000 0.412 11 S N 3.254 118.958 115.700 0.006 0.000 2.536 11 S HA 0.734 5.204 4.470 -0.000 0.000 0.246 11 S C -0.965 173.654 174.600 0.032 0.000 1.077 11 S CA -0.485 57.722 58.200 0.012 0.000 1.091 11 S CB 0.664 63.864 63.200 -0.001 0.000 1.148 11 S HN 0.560 nan 8.310 nan 0.000 0.447 12 V N 2.186 122.129 119.914 0.048 0.000 3.141 12 V HA 0.810 4.930 4.120 -0.000 0.000 0.312 12 V C 0.387 176.522 176.094 0.068 0.000 1.157 12 V CA -0.629 61.712 62.300 0.068 0.000 1.041 12 V CB 1.645 33.529 31.823 0.103 0.000 1.071 12 V HN 0.561 nan 8.190 nan 0.000 0.441 13 S N 0.156 115.910 115.700 0.090 0.000 2.523 13 S HA 0.266 4.736 4.470 -0.000 0.000 0.217 13 S C 0.296 174.964 174.600 0.113 0.000 0.996 13 S CA 0.395 58.657 58.200 0.103 0.000 0.921 13 S CB -0.059 63.241 63.200 0.167 0.000 0.829 13 S HN 0.914 nan 8.310 nan 0.000 0.495 14 E N 1.411 121.675 120.200 0.106 0.000 2.207 14 E HA 0.400 4.750 4.350 -0.000 0.000 0.250 14 E C -0.159 176.502 176.600 0.101 0.000 0.890 14 E CA -0.314 56.142 56.400 0.094 0.000 0.749 14 E CB 0.650 30.392 29.700 0.070 0.000 1.193 14 E HN -0.237 nan 8.360 nan 0.000 0.423 15 K N 2.251 122.704 120.400 0.089 0.000 2.525 15 K HA 0.305 4.625 4.320 -0.000 0.000 0.192 15 K C 0.209 176.884 176.600 0.124 0.000 1.029 15 K CA 0.522 56.868 56.287 0.098 0.000 1.029 15 K CB 0.111 32.649 32.500 0.063 0.000 0.814 15 K HN 0.489 nan 8.250 nan 0.000 0.503 16 A N 0.589 123.477 122.820 0.114 0.000 2.548 16 A HA 0.385 4.705 4.320 -0.000 0.000 0.247 16 A C 1.460 179.182 177.584 0.230 0.000 1.067 16 A CA 0.732 52.834 52.037 0.109 0.000 0.757 16 A CB -0.779 18.245 19.000 0.040 0.000 0.996 16 A HN 0.543 nan 8.150 nan 0.000 0.504 17 G N 1.443 110.369 108.800 0.209 0.000 2.220 17 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.269 17 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.269 17 G C 0.894 175.947 174.900 0.254 0.000 0.977 17 G CA 0.954 46.243 45.100 0.316 0.000 0.634 17 G HN 1.467 nan 8.290 nan 0.000 0.539 18 L N 1.193 122.536 121.223 0.200 0.000 1.944 18 L HA -0.033 4.307 4.340 -0.000 0.000 0.218 18 L C 2.994 179.854 176.870 -0.016 0.000 1.075 18 L CA 2.955 57.794 54.840 -0.001 0.000 0.767 18 L CB -1.069 41.029 42.059 0.065 0.000 0.890 18 L HN 0.375 nan 8.230 nan 0.000 0.434 19 V N -0.010 119.916 119.914 0.019 0.000 2.252 19 V HA -0.408 3.712 4.120 -0.000 0.000 0.255 19 V C 2.632 178.729 176.094 0.005 0.000 1.071 19 V CA 2.269 64.573 62.300 0.006 0.000 1.050 19 V CB -0.991 30.843 31.823 0.019 0.000 0.654 19 V HN 0.514 nan 8.190 nan 0.000 0.448 20 E N -0.447 119.775 120.200 0.037 0.000 2.023 20 E HA -0.202 4.148 4.350 -0.000 0.000 0.196 20 E C 1.874 178.509 176.600 0.058 0.000 1.003 20 E CA 1.515 57.946 56.400 0.052 0.000 0.809 20 E CB -0.644 29.108 29.700 0.087 0.000 0.755 20 E HN 0.541 nan 8.360 nan 0.000 0.449 21 F N 1.066 120.907 119.950 -0.181 0.000 2.126 21 F HA -0.202 4.325 4.527 -0.000 0.000 0.299 21 F C 2.146 177.814 175.800 -0.221 0.000 1.096 21 F CA 1.309 59.138 58.000 -0.285 0.000 1.255 21 F CB -0.828 37.732 39.000 -0.735 0.000 0.997 21 F HN 0.030 nan 8.300 nan 0.000 0.479 22 A N 0.339 123.039 122.820 -0.199 0.000 1.908 22 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 22 A C 2.390 179.854 177.584 -0.200 0.000 1.181 22 A CA 1.867 53.763 52.037 -0.235 0.000 0.627 22 A CB -0.706 18.216 19.000 -0.130 0.000 0.818 22 A HN 0.437 nan 8.150 nan 0.000 0.445 23 R N -0.189 120.237 120.500 -0.123 0.000 2.088 23 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 23 R C 2.575 178.808 176.300 -0.111 0.000 1.136 23 R CA 1.796 57.842 56.100 -0.090 0.000 0.926 23 R CB -0.698 29.575 30.300 -0.045 0.000 0.837 23 R HN 0.519 nan 8.270 nan 0.000 0.429 24 S N 1.399 117.036 115.700 -0.105 0.000 2.380 24 S HA -0.187 4.283 4.470 -0.000 0.000 0.229 24 S C 2.038 176.537 174.600 -0.168 0.000 1.043 24 S CA 1.364 59.505 58.200 -0.099 0.000 1.038 24 S CB -0.402 62.778 63.200 -0.035 0.000 0.872 24 S HN 0.209 nan 8.310 nan 0.000 0.456 25 L N 1.776 122.815 121.223 -0.307 0.000 1.994 25 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 25 L C 2.710 179.468 176.870 -0.187 0.000 1.071 25 L CA 1.365 56.019 54.840 -0.310 0.000 0.745 25 L CB -0.748 41.035 42.059 -0.460 0.000 0.892 25 L HN 0.386 nan 8.230 nan 0.000 0.431 26 N N 0.958 119.558 118.700 -0.167 0.000 2.061 26 N HA -0.215 4.525 4.740 -0.000 0.000 0.193 26 N C 1.655 177.115 175.510 -0.083 0.000 1.030 26 N CA 1.747 54.730 53.050 -0.112 0.000 0.856 26 N CB -0.021 38.408 38.487 -0.097 0.000 1.023 26 N HN 0.305 nan 8.380 nan 0.000 0.424 27 A N 0.490 123.263 122.820 -0.078 0.000 2.272 27 A HA -0.032 4.288 4.320 -0.000 0.000 0.213 27 A C 1.625 179.180 177.584 -0.049 0.000 1.183 27 A CA 0.625 52.630 52.037 -0.054 0.000 0.719 27 A CB -0.423 18.550 19.000 -0.045 0.000 0.771 27 A HN 0.431 nan 8.150 nan 0.000 0.484 28 L N -1.907 119.279 121.223 -0.061 0.000 3.014 28 L HA 0.331 4.671 4.340 -0.000 0.000 0.263 28 L C 1.265 178.107 176.870 -0.047 0.000 1.207 28 L CA 0.314 55.124 54.840 -0.050 0.000 1.017 28 L CB -0.002 42.023 42.059 -0.057 0.000 1.360 28 L HN 0.468 nan 8.230 nan 0.000 0.560 29 G N 1.126 109.898 108.800 -0.048 0.000 2.137 29 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.237 29 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.237 29 G C -0.121 174.751 174.900 -0.048 0.000 1.002 29 G CA -0.205 44.871 45.100 -0.041 0.000 0.702 29 G HN 0.235 nan 8.290 nan 0.000 0.515 30 L N 0.988 122.172 121.223 -0.065 0.000 2.296 30 L HA 0.640 4.980 4.340 -0.000 0.000 0.286 30 L C 1.203 178.028 176.870 -0.075 0.000 1.023 30 L CA -0.543 54.252 54.840 -0.074 0.000 0.812 30 L CB 1.690 43.689 42.059 -0.100 0.000 1.223 30 L HN 0.193 nan 8.230 nan 0.000 0.421 31 G N 4.448 113.211 108.800 -0.061 0.000 2.378 31 G HA2 0.440 4.400 3.960 -0.000 0.000 0.255 31 G HA3 0.440 4.400 3.960 -0.000 0.000 0.255 31 G C -0.377 174.481 174.900 -0.070 0.000 1.270 31 G CA -0.490 44.576 45.100 -0.057 0.000 0.876 31 G HN 0.425 nan 8.290 nan 0.000 0.521 32 L N 2.412 123.593 121.223 -0.070 0.000 2.282 32 L HA 0.463 4.803 4.340 -0.000 0.000 0.288 32 L C -0.569 176.264 176.870 -0.063 0.000 1.033 32 L CA -0.705 54.089 54.840 -0.078 0.000 0.807 32 L CB 1.347 43.355 42.059 -0.085 0.000 1.209 32 L HN 0.282 nan 8.230 nan 0.000 0.423 33 I N 2.584 123.116 120.570 -0.064 0.000 2.569 33 I HA 0.875 5.045 4.170 -0.000 0.000 0.296 33 I C 0.106 176.193 176.117 -0.050 0.000 1.028 33 I CA -0.115 61.152 61.300 -0.056 0.000 1.082 33 I CB 1.996 39.958 38.000 -0.062 0.000 1.264 33 I HN 0.741 nan 8.210 nan 0.000 0.429 34 A N 2.922 125.718 122.820 -0.039 0.000 2.506 34 A HA 0.959 5.279 4.320 -0.000 0.000 0.305 34 A C -1.004 176.568 177.584 -0.021 0.000 1.166 34 A CA -0.017 52.002 52.037 -0.029 0.000 0.638 34 A CB 1.129 20.114 19.000 -0.025 0.000 1.336 34 A HN 0.857 nan 8.150 nan 0.000 0.493 35 S N -2.256 113.437 115.700 -0.012 0.000 2.790 35 S HA 0.771 5.241 4.470 -0.000 0.000 0.292 35 S C 1.110 175.710 174.600 -0.001 0.000 1.197 35 S CA 0.450 58.647 58.200 -0.005 0.000 0.851 35 S CB 0.390 63.590 63.200 0.001 0.000 1.217 35 S HN 2.677 nan 8.310 nan 0.000 0.526 36 G N 1.072 109.874 108.800 0.003 0.000 2.730 36 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.531 36 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.531 36 G C 1.202 176.104 174.900 0.002 0.000 1.112 36 G CA 1.670 46.773 45.100 0.004 0.000 0.868 36 G HN 1.745 nan 8.290 nan 0.000 0.740 37 G N -1.248 107.554 108.800 0.003 0.000 2.628 37 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.217 37 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.217 37 G C 1.895 176.798 174.900 0.005 0.000 1.240 37 G CA 3.075 48.178 45.100 0.004 0.000 0.792 37 G HN 0.978 nan 8.290 nan 0.000 0.593 38 T N 1.815 116.373 114.554 0.008 0.000 2.567 38 T HA -0.307 4.043 4.350 -0.000 0.000 0.261 38 T C 2.697 177.395 174.700 -0.003 0.000 1.123 38 T CA 2.917 65.021 62.100 0.007 0.000 1.166 38 T CB -0.843 68.028 68.868 0.006 0.000 0.860 38 T HN 0.528 nan 8.240 nan 0.000 0.436 39 A N 0.834 123.649 122.820 -0.008 0.000 1.908 39 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 39 A C 2.580 180.158 177.584 -0.011 0.000 1.181 39 A CA 2.308 54.337 52.037 -0.014 0.000 0.627 39 A CB -1.226 17.765 19.000 -0.015 0.000 0.818 39 A HN 0.545 nan 8.150 nan 0.000 0.445 40 T N -0.057 114.493 114.554 -0.006 0.000 2.915 40 T HA 0.112 4.462 4.350 -0.000 0.000 0.269 40 T C 2.072 176.770 174.700 -0.003 0.000 1.071 40 T CA 1.201 63.298 62.100 -0.005 0.000 1.132 40 T CB -0.248 68.618 68.868 -0.003 0.000 0.878 40 T HN 0.584 nan 8.240 nan 0.000 0.479 41 A N 1.293 124.112 122.820 -0.001 0.000 1.874 41 A HA 0.149 4.469 4.320 -0.000 0.000 0.214 41 A C 2.231 179.815 177.584 -0.001 0.000 1.189 41 A CA 0.798 52.837 52.037 0.003 0.000 0.615 41 A CB -0.713 18.292 19.000 0.010 0.000 0.830 41 A HN 0.434 nan 8.150 nan 0.000 0.443 42 L N -0.832 120.388 121.223 -0.006 0.000 2.042 42 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 42 L C 2.882 179.744 176.870 -0.014 0.000 1.076 42 L CA 1.653 56.485 54.840 -0.014 0.000 0.749 42 L CB -0.527 41.517 42.059 -0.025 0.000 0.893 42 L HN 0.350 nan 8.230 nan 0.000 0.432 43 R N 0.103 120.595 120.500 -0.014 0.000 2.070 43 R HA -0.173 4.167 4.340 -0.000 0.000 0.233 43 R C 1.930 178.225 176.300 -0.009 0.000 1.137 43 R CA 1.861 57.953 56.100 -0.013 0.000 0.945 43 R CB -0.468 29.825 30.300 -0.012 0.000 0.845 43 R HN 0.293 nan 8.270 nan 0.000 0.430 44 D N 0.250 120.647 120.400 -0.006 0.000 2.228 44 D HA -0.163 4.477 4.640 -0.000 0.000 0.203 44 D C 1.381 177.679 176.300 -0.003 0.000 0.988 44 D CA 1.538 55.536 54.000 -0.003 0.000 0.864 44 D CB -0.046 40.753 40.800 -0.001 0.000 0.928 44 D HN 0.335 nan 8.370 nan 0.000 0.469 45 A N -0.514 122.305 122.820 -0.003 0.000 2.251 45 A HA 0.484 4.804 4.320 -0.000 0.000 0.209 45 A C 1.216 178.796 177.584 -0.005 0.000 1.187 45 A CA 0.681 52.717 52.037 -0.002 0.000 0.823 45 A CB -0.116 18.884 19.000 0.000 0.000 0.846 45 A HN 0.238 nan 8.150 nan 0.000 0.486 46 G N -0.602 108.193 108.800 -0.008 0.000 2.963 46 G HA2 0.004 3.964 3.960 -0.000 0.000 0.262 46 G HA3 0.004 3.964 3.960 -0.000 0.000 0.262 46 G C -0.776 174.114 174.900 -0.016 0.000 1.043 46 G CA -0.060 45.033 45.100 -0.011 0.000 1.223 46 G HN 0.712 nan 8.290 nan 0.000 0.574 47 L N 1.648 122.860 121.223 -0.019 0.000 2.565 47 L HA 0.427 4.767 4.340 -0.000 0.000 0.261 47 L C -2.552 174.302 176.870 -0.028 0.000 0.932 47 L CA -1.908 52.916 54.840 -0.027 0.000 0.878 47 L CB 2.967 45.006 42.059 -0.033 0.000 1.333 47 L HN 0.110 nan 8.230 nan 0.000 0.409 48 P HA 0.228 nan 4.420 nan 0.000 0.270 48 P C -1.151 176.128 177.300 -0.034 0.000 1.242 48 P CA -0.071 63.012 63.100 -0.029 0.000 0.768 48 P CB 0.797 32.480 31.700 -0.029 0.000 0.820 49 V N 4.331 124.228 119.914 -0.029 0.000 2.876 49 V HA 0.519 4.639 4.120 -0.000 0.000 0.312 49 V C 0.038 176.116 176.094 -0.028 0.000 1.085 49 V CA -0.853 61.428 62.300 -0.032 0.000 0.945 49 V CB 2.520 34.326 31.823 -0.030 0.000 1.017 49 V HN 0.368 nan 8.190 nan 0.000 0.428 50 R N 1.547 122.028 120.500 -0.031 0.000 2.387 50 R HA 0.499 4.839 4.340 -0.000 0.000 0.314 50 R C -0.858 175.424 176.300 -0.030 0.000 0.958 50 R CA -0.500 55.583 56.100 -0.028 0.000 0.846 50 R CB 1.117 31.399 30.300 -0.029 0.000 1.147 50 R HN 0.834 nan 8.270 nan 0.000 0.447 51 D N 2.211 122.596 120.400 -0.025 0.000 2.382 51 D HA -0.026 4.614 4.640 -0.000 0.000 0.240 51 D C 1.235 177.517 176.300 -0.031 0.000 1.146 51 D CA -0.260 53.726 54.000 -0.023 0.000 0.897 51 D CB 1.220 42.010 40.800 -0.016 0.000 1.197 51 D HN 0.189 nan 8.370 nan 0.000 0.432 52 V N 1.744 121.640 119.914 -0.030 0.000 2.255 52 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 52 V C 2.418 178.483 176.094 -0.050 0.000 1.051 52 V CA 2.309 64.583 62.300 -0.042 0.000 1.018 52 V CB -0.827 30.980 31.823 -0.027 0.000 0.641 52 V HN 0.783 nan 8.190 nan 0.000 0.445 53 S N 0.287 115.973 115.700 -0.022 0.000 2.392 53 S HA -0.366 4.104 4.470 -0.000 0.000 0.232 53 S C 1.725 176.308 174.600 -0.027 0.000 1.041 53 S CA 2.196 60.390 58.200 -0.010 0.000 1.026 53 S CB -0.869 62.336 63.200 0.008 0.000 0.845 53 S HN 0.680 nan 8.310 nan 0.000 0.465 54 D N 0.361 120.744 120.400 -0.028 0.000 2.221 54 D HA -0.037 4.603 4.640 -0.000 0.000 0.204 54 D C 1.745 178.026 176.300 -0.031 0.000 0.982 54 D CA 0.784 54.770 54.000 -0.023 0.000 0.857 54 D CB -0.158 40.630 40.800 -0.020 0.000 0.934 54 D HN 0.298 nan 8.370 nan 0.000 0.475 55 L N -0.254 120.933 121.223 -0.061 0.000 2.477 55 L HA 0.120 4.460 4.340 -0.000 0.000 0.220 55 L C 1.958 178.743 176.870 -0.142 0.000 1.106 55 L CA 1.388 56.181 54.840 -0.079 0.000 0.851 55 L CB -0.670 41.327 42.059 -0.104 0.000 0.994 55 L HN 0.268 nan 8.230 nan 0.000 0.462 56 T N -5.706 108.720 114.554 -0.213 0.000 2.969 56 T HA 0.205 4.555 4.350 -0.000 0.000 0.250 56 T C 1.483 176.117 174.700 -0.111 0.000 1.021 56 T CA 0.754 62.584 62.100 -0.450 0.000 1.003 56 T CB 0.618 68.976 68.868 -0.850 0.000 1.040 56 T HN 0.301 nan 8.240 nan 0.000 0.492 57 G N 0.921 109.711 108.800 -0.016 0.000 2.184 57 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.264 57 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.264 57 G C -0.122 174.819 174.900 0.067 0.000 0.975 57 G CA 0.175 45.300 45.100 0.042 0.000 0.642 57 G HN 0.581 nan 8.290 nan 0.000 0.536 58 F N 3.377 123.295 119.950 -0.053 0.000 2.408 58 F HA 0.555 5.082 4.527 -0.000 0.000 0.344 58 F C -1.278 174.521 175.800 -0.002 0.000 1.112 58 F CA -2.064 55.942 58.000 0.011 0.000 1.096 58 F CB 1.761 40.816 39.000 0.092 0.000 1.129 58 F HN -0.075 nan 8.300 nan 0.000 0.486 59 P HA 0.097 nan 4.420 nan 0.000 0.277 59 P C -0.991 176.388 177.300 0.131 0.000 1.240 59 P CA -0.371 62.759 63.100 0.050 0.000 0.798 59 P CB 0.875 32.557 31.700 -0.030 0.000 0.979 60 E N 1.311 121.563 120.200 0.087 0.000 2.398 60 E HA 0.216 4.566 4.350 -0.000 0.000 0.263 60 E C 0.082 176.735 176.600 0.088 0.000 1.046 60 E CA 0.261 56.716 56.400 0.092 0.000 0.908 60 E CB 0.365 30.099 29.700 0.057 0.000 0.963 60 E HN 0.418 nan 8.360 nan 0.000 0.431 61 M N 1.228 120.886 119.600 0.097 0.000 2.755 61 M HA 0.302 4.782 4.480 -0.000 0.000 0.298 61 M C -0.304 176.034 176.300 0.064 0.000 1.251 61 M CA -0.822 54.529 55.300 0.085 0.000 0.817 61 M CB 1.278 33.948 32.600 0.116 0.000 1.760 61 M HN 0.384 nan 8.290 nan 0.000 0.473 62 L N 1.142 122.398 121.223 0.055 0.000 3.954 62 L HA -0.219 4.121 4.340 -0.000 0.000 0.462 62 L C 0.577 177.472 176.870 0.042 0.000 1.195 62 L CA 0.717 55.585 54.840 0.046 0.000 0.739 62 L CB -2.700 39.389 42.059 0.049 0.000 1.599 62 L HN 1.165 nan 8.230 nan 0.000 0.838 63 G N -0.304 108.518 108.800 0.037 0.000 2.374 63 G HA2 0.152 4.111 3.960 -0.000 0.000 0.289 63 G HA3 0.152 4.111 3.960 -0.000 0.000 0.289 63 G C 1.026 175.946 174.900 0.034 0.000 1.004 63 G CA 0.346 45.465 45.100 0.032 0.000 1.292 63 G HN 1.944 nan 8.290 nan 0.000 0.502 64 G N -0.399 108.422 108.800 0.035 0.000 2.321 64 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.287 64 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.287 64 G C 1.168 176.093 174.900 0.042 0.000 1.018 64 G CA 1.455 46.576 45.100 0.036 0.000 0.855 64 G HN 0.994 nan 8.290 nan 0.000 0.507 65 R N -1.262 119.266 120.500 0.047 0.000 2.103 65 R HA 0.231 4.571 4.340 -0.000 0.000 0.212 65 R C 2.724 179.054 176.300 0.050 0.000 1.107 65 R CA 1.360 57.490 56.100 0.050 0.000 1.025 65 R CB 0.021 30.351 30.300 0.050 0.000 0.929 65 R HN 0.749 nan 8.270 nan 0.000 0.456 66 V N -0.432 119.515 119.914 0.054 0.000 3.431 66 V HA 0.002 4.122 4.120 -0.000 0.000 0.253 66 V C 1.760 177.891 176.094 0.061 0.000 1.184 66 V CA 0.559 62.890 62.300 0.052 0.000 1.104 66 V CB -0.077 31.776 31.823 0.050 0.000 0.799 66 V HN 0.279 nan 8.190 nan 0.000 0.462 67 K N 2.925 123.366 120.400 0.067 0.000 2.635 67 K HA -0.416 3.904 4.320 -0.000 0.000 0.203 67 K C 1.629 178.268 176.600 0.066 0.000 0.873 67 K CA 3.100 59.427 56.287 0.066 0.000 0.919 67 K CB -2.314 30.214 32.500 0.047 0.000 1.309 67 K HN 0.693 nan 8.250 nan 0.000 0.542 68 T N -1.240 113.353 114.554 0.066 0.000 3.145 68 T HA 0.321 4.671 4.350 -0.000 0.000 0.255 68 T C 0.792 175.590 174.700 0.163 0.000 1.039 68 T CA -0.410 61.740 62.100 0.084 0.000 0.928 68 T CB -0.015 68.885 68.868 0.053 0.000 1.029 68 T HN 0.217 nan 8.240 nan 0.000 0.554 69 L N 2.934 124.222 121.223 0.108 0.000 2.480 69 L HA 0.387 4.727 4.340 -0.000 0.000 0.243 69 L C 0.207 177.077 176.870 0.000 0.000 1.315 69 L CA -0.346 54.519 54.840 0.042 0.000 1.231 69 L CB -0.547 41.497 42.059 -0.025 0.000 1.444 69 L HN 0.380 nan 8.230 nan 0.000 0.409 70 H N 2.108 121.170 119.070 -0.014 0.000 2.771 70 H HA 0.268 4.824 4.556 -0.000 0.000 0.361 70 H C -2.124 173.189 175.328 -0.025 0.000 1.108 70 H CA -1.657 54.341 56.048 -0.083 0.000 1.201 70 H CB 3.081 32.778 29.762 -0.108 0.000 1.681 70 H HN -0.039 nan 8.280 nan 0.000 0.534 71 P HA -0.145 nan 4.420 nan 0.000 0.218 71 P C 1.019 178.297 177.300 -0.036 0.000 1.146 71 P CA 1.504 64.597 63.100 -0.011 0.000 0.813 71 P CB 0.104 31.776 31.700 -0.047 0.000 0.778 72 A N -0.377 122.403 122.820 -0.066 0.000 2.019 72 A HA -0.061 4.259 4.320 -0.000 0.000 0.219 72 A C 2.356 179.628 177.584 -0.520 0.000 1.164 72 A CA 1.460 52.882 52.037 -1.025 0.000 0.644 72 A CB -1.283 17.165 19.000 -0.921 0.000 0.805 72 A HN 0.116 nan 8.150 nan 0.000 0.449 73 V N -1.072 118.740 119.914 -0.170 0.000 2.278 73 V HA -0.145 3.975 4.120 -0.000 0.000 0.238 73 V C 2.264 178.267 176.094 -0.152 0.000 1.039 73 V CA 2.033 64.244 62.300 -0.149 0.000 1.017 73 V CB -1.180 30.589 31.823 -0.089 0.000 0.657 73 V HN 0.651 nan 8.190 nan 0.000 0.462 74 H N 0.748 119.779 119.070 -0.065 0.000 2.387 74 H HA -0.067 4.489 4.556 -0.000 0.000 0.299 74 H C 2.199 177.518 175.328 -0.015 0.000 1.099 74 H CA 1.803 57.832 56.048 -0.033 0.000 1.315 74 H CB -0.489 29.259 29.762 -0.022 0.000 1.380 74 H HN 0.437 nan 8.280 nan 0.000 0.513 75 A N 0.291 123.168 122.820 0.096 0.000 1.969 75 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 75 A C 2.683 180.309 177.584 0.070 0.000 1.169 75 A CA 1.310 53.413 52.037 0.109 0.000 0.635 75 A CB -1.031 18.089 19.000 0.201 0.000 0.810 75 A HN 0.503 nan 8.150 nan 0.000 0.445 76 G N -0.201 108.598 108.800 -0.002 0.000 2.470 76 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.220 76 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.220 76 G C 1.369 176.257 174.900 -0.020 0.000 1.121 76 G CA 1.203 46.294 45.100 -0.014 0.000 0.766 76 G HN 0.525 nan 8.290 nan 0.000 0.553 77 I N -0.614 119.935 120.570 -0.035 0.000 3.339 77 I HA 0.179 4.349 4.170 -0.000 0.000 0.285 77 I C 2.239 178.360 176.117 0.007 0.000 1.201 77 I CA 0.192 61.469 61.300 -0.037 0.000 1.434 77 I CB 0.058 37.998 38.000 -0.100 0.000 1.152 77 I HN 0.043 nan 8.210 nan 0.000 0.443 78 L N 1.092 122.338 121.223 0.038 0.000 2.341 78 L HA 0.193 4.533 4.340 -0.000 0.000 0.214 78 L C 1.470 178.369 176.870 0.049 0.000 1.115 78 L CA -0.229 54.645 54.840 0.057 0.000 0.820 78 L CB -0.329 41.779 42.059 0.082 0.000 0.944 78 L HN 0.119 nan 8.230 nan 0.000 0.452 79 A N 1.175 124.026 122.820 0.051 0.000 2.531 79 A HA 0.253 4.573 4.320 -0.000 0.000 0.236 79 A C 0.200 177.802 177.584 0.030 0.000 1.062 79 A CA 0.238 52.304 52.037 0.048 0.000 0.760 79 A CB 0.106 19.143 19.000 0.062 0.000 0.995 79 A HN 0.308 nan 8.150 nan 0.000 0.501 80 R N 0.863 121.377 120.500 0.024 0.000 2.787 80 R HA 0.263 4.603 4.340 -0.000 0.000 0.271 80 R C -0.536 175.771 176.300 0.011 0.000 0.993 80 R CA -0.640 55.467 56.100 0.012 0.000 0.993 80 R CB 1.166 31.471 30.300 0.008 0.000 1.155 80 R HN 0.848 nan 8.270 nan 0.000 0.486 81 N N 1.364 120.066 118.700 0.004 0.000 3.103 81 N HA 0.128 4.868 4.740 -0.000 0.000 0.305 81 N C -0.934 174.578 175.510 0.004 0.000 1.232 81 N CA 0.259 53.312 53.050 0.004 0.000 1.190 81 N CB -0.016 38.471 38.487 -0.000 0.000 1.461 81 N HN 0.201 nan 8.380 nan 0.000 0.538 82 I N 0.023 120.597 120.570 0.007 0.000 2.692 82 I HA 0.221 4.391 4.170 -0.000 0.000 0.293 82 I C -1.803 174.318 176.117 0.007 0.000 1.200 82 I CA -2.353 58.951 61.300 0.006 0.000 1.036 82 I CB 2.589 40.593 38.000 0.006 0.000 1.258 82 I HN -0.013 nan 8.210 nan 0.000 0.421 83 P HA -0.291 nan 4.420 nan 0.000 0.214 83 P C 1.005 178.308 177.300 0.005 0.000 1.099 83 P CA 1.903 65.006 63.100 0.004 0.000 0.976 83 P CB 0.204 31.906 31.700 0.003 0.000 0.774 84 E N -0.767 119.437 120.200 0.006 0.000 2.113 84 E HA -0.252 4.098 4.350 -0.000 0.000 0.210 84 E C 1.768 178.374 176.600 0.010 0.000 1.040 84 E CA 2.162 58.566 56.400 0.007 0.000 0.847 84 E CB -1.041 28.664 29.700 0.008 0.000 0.755 84 E HN 0.395 nan 8.360 nan 0.000 0.459 85 D N -0.103 120.305 120.400 0.015 0.000 2.087 85 D HA -0.128 4.511 4.640 -0.000 0.000 0.192 85 D C 1.644 177.957 176.300 0.021 0.000 0.993 85 D CA 1.151 55.164 54.000 0.022 0.000 0.828 85 D CB -0.341 40.474 40.800 0.025 0.000 0.968 85 D HN 0.122 nan 8.370 nan 0.000 0.448 86 N N 0.729 119.438 118.700 0.016 0.000 2.027 86 N HA -0.291 4.449 4.740 -0.000 0.000 0.200 86 N C 1.803 177.317 175.510 0.007 0.000 1.042 86 N CA 1.751 54.809 53.050 0.014 0.000 0.871 86 N CB -0.608 37.884 38.487 0.008 0.000 1.063 86 N HN 0.180 nan 8.380 nan 0.000 0.438 87 A N 1.762 124.582 122.820 0.000 0.000 1.863 87 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 87 A C 1.916 179.488 177.584 -0.019 0.000 1.233 87 A CA 2.558 54.589 52.037 -0.009 0.000 0.655 87 A CB -1.145 17.850 19.000 -0.008 0.000 0.839 87 A HN 0.318 nan 8.150 nan 0.000 0.454 88 D N -0.905 119.487 120.400 -0.013 0.000 2.203 88 D HA -0.194 4.446 4.640 -0.000 0.000 0.199 88 D C 1.894 178.167 176.300 -0.044 0.000 0.997 88 D CA 1.621 55.606 54.000 -0.024 0.000 0.863 88 D CB -0.220 40.583 40.800 0.004 0.000 0.928 88 D HN 0.316 nan 8.370 nan 0.000 0.458 89 M N 0.083 119.680 119.600 -0.005 0.000 2.200 89 M HA -0.045 4.435 4.480 -0.000 0.000 0.265 89 M C 1.696 177.972 176.300 -0.040 0.000 1.066 89 M CA 0.925 56.235 55.300 0.016 0.000 1.127 89 M CB -0.818 31.822 32.600 0.067 0.000 1.379 89 M HN 0.073 nan 8.290 nan 0.000 0.420 90 N N 0.626 119.304 118.700 -0.036 0.000 2.062 90 N HA -0.164 4.576 4.740 -0.000 0.000 0.191 90 N C 1.712 177.167 175.510 -0.091 0.000 1.042 90 N CA 1.182 54.206 53.050 -0.044 0.000 0.845 90 N CB -0.364 38.106 38.487 -0.028 0.000 1.024 90 N HN 0.348 nan 8.380 nan 0.000 0.424 91 K N 0.733 121.076 120.400 -0.094 0.000 2.097 91 K HA -0.190 4.130 4.320 -0.000 0.000 0.214 91 K C 1.459 177.939 176.600 -0.199 0.000 1.052 91 K CA 1.505 57.723 56.287 -0.115 0.000 0.932 91 K CB 0.145 32.589 32.500 -0.093 0.000 0.716 91 K HN 0.155 nan 8.250 nan 0.000 0.455 92 Q N -0.092 119.500 119.800 -0.347 0.000 2.425 92 Q HA -0.043 4.297 4.340 -0.000 0.000 0.204 92 Q C -0.131 175.445 176.000 -0.706 0.000 0.933 92 Q CA 0.750 56.142 55.803 -0.686 0.000 0.939 92 Q CB 0.319 28.302 28.738 -1.259 0.000 1.044 92 Q HN 0.425 nan 8.270 nan 0.000 0.513 93 D N -0.997 119.203 120.400 -0.334 0.000 2.835 93 D HA -0.172 4.468 4.640 -0.000 0.000 0.230 93 D C -1.381 174.980 176.300 0.102 0.000 1.130 93 D CA 0.206 54.146 54.000 -0.099 0.000 0.738 93 D CB -1.030 39.740 40.800 -0.050 0.000 1.090 93 D HN -0.009 nan 8.370 nan 0.000 0.433 94 F N 0.528 120.490 119.950 0.020 0.000 2.421 94 F HA 0.575 5.102 4.527 -0.000 0.000 0.337 94 F C 1.186 176.991 175.800 0.009 0.000 1.105 94 F CA -1.202 56.809 58.000 0.019 0.000 1.049 94 F CB 1.733 40.752 39.000 0.031 0.000 1.139 94 F HN -0.209 nan 8.300 nan 0.000 0.479 95 S N 2.487 118.303 115.700 0.193 0.000 2.617 95 S HA 0.579 5.049 4.470 -0.000 0.000 0.283 95 S C -0.565 174.072 174.600 0.062 0.000 1.189 95 S CA -0.596 57.659 58.200 0.093 0.000 1.036 95 S CB 1.244 64.474 63.200 0.049 0.000 1.014 95 S HN 0.233 nan 8.310 nan 0.000 0.522 96 L N 2.337 123.583 121.223 0.039 0.000 2.380 96 L HA 0.294 4.634 4.340 -0.000 0.000 0.273 96 L C -0.333 176.532 176.870 -0.008 0.000 1.138 96 L CA 0.150 55.001 54.840 0.019 0.000 0.832 96 L CB 0.543 42.611 42.059 0.016 0.000 1.124 96 L HN 0.370 nan 8.230 nan 0.000 0.454 97 V N 4.929 124.831 119.914 -0.021 0.000 2.364 97 V HA 0.355 4.475 4.120 -0.000 0.000 0.272 97 V C 1.186 177.259 176.094 -0.034 0.000 1.036 97 V CA -0.529 61.746 62.300 -0.041 0.000 0.880 97 V CB 0.907 32.693 31.823 -0.061 0.000 0.991 97 V HN 0.714 nan 8.190 nan 0.000 0.460 98 R N 3.161 123.638 120.500 -0.038 0.000 2.290 98 R HA 0.361 4.701 4.340 -0.000 0.000 0.197 98 R C -0.433 175.846 176.300 -0.034 0.000 0.913 98 R CA 0.403 56.484 56.100 -0.032 0.000 1.040 98 R CB 0.685 30.964 30.300 -0.035 0.000 0.992 98 R HN 0.578 nan 8.270 nan 0.000 0.500 99 V N 0.991 120.876 119.914 -0.047 0.000 2.697 99 V HA 0.223 4.343 4.120 -0.000 0.000 0.300 99 V C -1.027 175.041 176.094 -0.043 0.000 1.115 99 V CA -0.845 61.431 62.300 -0.041 0.000 0.912 99 V CB 2.191 33.974 31.823 -0.067 0.000 1.024 99 V HN -0.265 nan 8.190 nan 0.000 0.431 100 V N 5.463 125.363 119.914 -0.024 0.000 2.347 100 V HA 0.475 4.595 4.120 -0.000 0.000 0.280 100 V C -0.219 175.886 176.094 0.018 0.000 1.021 100 V CA -0.535 61.747 62.300 -0.029 0.000 0.847 100 V CB 1.857 33.646 31.823 -0.056 0.000 0.990 100 V HN 0.605 nan 8.190 nan 0.000 0.444 101 V N 5.109 125.044 119.914 0.035 0.000 2.284 101 V HA 0.470 4.590 4.120 -0.000 0.000 0.274 101 V C -0.182 175.960 176.094 0.080 0.000 1.023 101 V CA -0.301 62.065 62.300 0.110 0.000 0.808 101 V CB 1.041 32.960 31.823 0.160 0.000 1.035 101 V HN 1.012 nan 8.190 nan 0.000 0.445 102 C N 5.358 124.696 119.300 0.063 0.000 3.086 102 C HA 0.897 5.357 4.460 -0.000 0.000 0.311 102 C C -1.341 173.670 174.990 0.035 0.000 1.260 102 C CA -0.483 58.560 59.018 0.042 0.000 1.426 102 C CB 1.799 29.542 27.740 0.004 0.000 1.826 102 C HN 1.024 nan 8.230 nan 0.000 0.474 103 N N 3.704 122.428 118.700 0.040 0.000 2.425 103 N HA 0.624 5.364 4.740 -0.000 0.000 0.289 103 N C -1.104 174.436 175.510 0.050 0.000 1.074 103 N CA -0.806 52.271 53.050 0.046 0.000 0.905 103 N CB 0.817 39.310 38.487 0.010 0.000 1.586 103 N HN 0.775 nan 8.380 nan 0.000 0.490 104 L N -0.666 120.563 121.223 0.009 0.000 2.456 104 L HA 0.474 4.814 4.340 -0.000 0.000 0.257 104 L C -0.210 176.681 176.870 0.034 0.000 1.162 104 L CA -1.177 53.604 54.840 -0.097 0.000 0.808 104 L CB 0.225 41.969 42.059 -0.524 0.000 1.136 104 L HN 0.574 nan 8.230 nan 0.000 0.466 105 Y N 1.584 121.891 120.300 0.011 0.000 2.452 105 Y HA 0.303 4.853 4.550 -0.000 0.000 0.348 105 Y C -2.037 174.011 175.900 0.247 0.000 0.985 105 Y CA -2.536 55.629 58.100 0.108 0.000 1.214 105 Y CB 0.479 38.995 38.460 0.094 0.000 1.136 105 Y HN 0.366 nan 8.280 nan 0.000 0.523 106 P HA -0.183 nan 4.420 nan 0.000 0.249 106 P C 0.458 177.686 177.300 -0.119 0.000 1.140 106 P CA 0.729 63.711 63.100 -0.196 0.000 0.803 106 P CB -0.184 31.308 31.700 -0.347 0.000 0.745 107 F N 5.485 125.398 119.950 -0.061 0.000 2.192 107 F HA -0.265 4.262 4.527 -0.000 0.000 0.301 107 F C 1.821 177.483 175.800 -0.230 0.000 1.079 107 F CA 1.657 59.528 58.000 -0.215 0.000 1.303 107 F CB -0.601 38.073 39.000 -0.543 0.000 1.024 107 F HN 0.109 nan 8.300 nan 0.000 0.494 108 V N -0.609 119.214 119.914 -0.152 0.000 2.252 108 V HA -0.337 3.783 4.120 -0.000 0.000 0.249 108 V C 2.406 178.374 176.094 -0.210 0.000 1.056 108 V CA 2.327 64.511 62.300 -0.194 0.000 1.022 108 V CB -1.341 30.425 31.823 -0.095 0.000 0.641 108 V HN 0.181 nan 8.190 nan 0.000 0.445 109 K N 0.509 120.798 120.400 -0.185 0.000 2.152 109 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 109 K C 2.160 178.740 176.600 -0.033 0.000 1.048 109 K CA 2.087 58.315 56.287 -0.098 0.000 0.933 109 K CB -0.797 31.628 32.500 -0.125 0.000 0.721 109 K HN 0.619 nan 8.250 nan 0.000 0.447 110 T N -0.447 114.066 114.554 -0.068 0.000 2.809 110 T HA -0.067 4.283 4.350 -0.000 0.000 0.260 110 T C 1.626 176.114 174.700 -0.353 0.000 1.039 110 T CA 1.309 63.333 62.100 -0.126 0.000 1.141 110 T CB -0.110 68.689 68.868 -0.114 0.000 0.869 110 T HN 0.183 nan 8.240 nan 0.000 0.437 111 V N 1.264 120.798 119.914 -0.632 0.000 2.970 111 V HA 0.066 4.186 4.120 -0.000 0.000 0.260 111 V C 1.614 177.541 176.094 -0.279 0.000 1.100 111 V CA 1.335 63.238 62.300 -0.661 0.000 1.122 111 V CB -0.941 30.277 31.823 -1.007 0.000 0.721 111 V HN 0.468 nan 8.190 nan 0.000 0.483 112 S N 0.876 116.452 115.700 -0.207 0.000 2.489 112 S HA 0.464 4.934 4.470 -0.000 0.000 0.237 112 S C 0.433 174.991 174.600 -0.071 0.000 1.220 112 S CA 0.071 58.208 58.200 -0.104 0.000 1.231 112 S CB -0.457 62.693 63.200 -0.083 0.000 0.900 112 S HN 0.937 nan 8.310 nan 0.000 0.492 113 S N 0.966 116.621 115.700 -0.076 0.000 2.767 113 S HA 0.651 5.121 4.470 -0.000 0.000 0.300 113 S C -2.815 171.765 174.600 -0.032 0.000 1.123 113 S CA -1.527 56.646 58.200 -0.045 0.000 0.992 113 S CB 0.214 63.384 63.200 -0.049 0.000 1.138 113 S HN 0.313 nan 8.310 nan 0.000 0.550 114 P HA 0.239 nan 4.420 nan 0.000 0.259 114 P C 0.572 177.866 177.300 -0.011 0.000 1.635 114 P CA 0.625 63.718 63.100 -0.012 0.000 1.199 114 P CB -0.634 31.060 31.700 -0.009 0.000 1.850 115 G N 2.054 110.848 108.800 -0.009 0.000 2.289 115 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.280 115 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.280 115 G C -0.042 174.856 174.900 -0.004 0.000 1.089 115 G CA -0.166 44.933 45.100 -0.002 0.000 0.939 115 G HN 0.610 nan 8.290 nan 0.000 0.499 116 V N 1.496 121.398 119.914 -0.019 0.000 2.585 116 V HA 0.587 4.707 4.120 -0.000 0.000 0.296 116 V C 1.249 177.347 176.094 0.006 0.000 1.035 116 V CA 1.010 63.289 62.300 -0.035 0.000 1.084 116 V CB 0.895 32.654 31.823 -0.106 0.000 0.953 116 V HN 1.209 nan 8.190 nan 0.000 0.483 117 T N 3.660 118.225 114.554 0.018 0.000 2.934 117 T HA 0.392 4.742 4.350 -0.000 0.000 0.283 117 T C 1.064 175.826 174.700 0.103 0.000 1.005 117 T CA -0.129 62.009 62.100 0.063 0.000 1.041 117 T CB 1.618 70.520 68.868 0.056 0.000 1.042 117 T HN 0.411 nan 8.240 nan 0.000 0.505 118 V N 2.691 122.707 119.914 0.171 0.000 2.255 118 V HA -0.066 4.054 4.120 -0.000 0.000 0.247 118 V C -0.503 175.723 176.094 0.219 0.000 1.051 118 V CA 1.713 64.171 62.300 0.262 0.000 1.018 118 V CB -1.669 30.326 31.823 0.286 0.000 0.641 118 V HN 0.754 nan 8.190 nan 0.000 0.445 119 P HA -0.203 nan 4.420 nan 0.000 0.215 119 P C 1.693 179.058 177.300 0.108 0.000 1.153 119 P CA 1.805 64.990 63.100 0.142 0.000 0.853 119 P CB -0.100 31.664 31.700 0.108 0.000 0.788 120 E N -0.442 119.802 120.200 0.074 0.000 2.274 120 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 120 E C 1.689 178.304 176.600 0.025 0.000 0.996 120 E CA 1.058 57.482 56.400 0.040 0.000 0.840 120 E CB -0.564 29.145 29.700 0.015 0.000 0.772 120 E HN 0.104 nan 8.360 nan 0.000 0.491 121 A N 1.422 124.255 122.820 0.022 0.000 1.850 121 A HA 0.016 4.336 4.320 -0.000 0.000 0.212 121 A C 2.470 180.136 177.584 0.137 0.000 1.208 121 A CA 0.938 52.940 52.037 -0.059 0.000 0.609 121 A CB -0.765 18.079 19.000 -0.260 0.000 0.860 121 A HN 0.148 nan 8.150 nan 0.000 0.448 122 V N 0.684 120.727 119.914 0.216 0.000 2.278 122 V HA -0.310 3.810 4.120 -0.000 0.000 0.251 122 V C 2.623 178.837 176.094 0.200 0.000 1.062 122 V CA 2.619 65.085 62.300 0.277 0.000 1.038 122 V CB -0.859 31.166 31.823 0.336 0.000 0.646 122 V HN 0.719 nan 8.190 nan 0.000 0.447 123 E N 0.623 120.915 120.200 0.153 0.000 2.209 123 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 123 E C 1.878 178.549 176.600 0.118 0.000 0.993 123 E CA 1.335 57.804 56.400 0.116 0.000 0.819 123 E CB -0.260 29.491 29.700 0.084 0.000 0.745 123 E HN 0.587 nan 8.360 nan 0.000 0.477 124 K N -0.072 120.413 120.400 0.143 0.000 2.476 124 K HA 0.159 4.479 4.320 -0.000 0.000 0.196 124 K C -0.066 176.690 176.600 0.260 0.000 1.025 124 K CA -0.140 56.249 56.287 0.170 0.000 1.138 124 K CB 0.209 32.795 32.500 0.142 0.000 0.860 124 K HN 0.194 nan 8.250 nan 0.000 0.515 125 I N 2.054 122.750 120.570 0.210 0.000 2.471 125 I HA -0.022 4.148 4.170 -0.000 0.000 0.286 125 I C 0.574 176.806 176.117 0.192 0.000 1.079 125 I CA -0.270 61.128 61.300 0.163 0.000 1.398 125 I CB 0.413 38.428 38.000 0.024 0.000 1.403 125 I HN 0.082 nan 8.210 nan 0.000 0.530 126 D N 5.556 126.120 120.400 0.272 0.000 2.341 126 D HA 0.218 4.858 4.640 -0.000 0.000 0.245 126 D C 0.233 176.600 176.300 0.111 0.000 1.106 126 D CA 0.122 54.205 54.000 0.139 0.000 0.905 126 D CB 1.699 42.502 40.800 0.005 0.000 1.202 126 D HN 0.313 nan 8.370 nan 0.000 0.426 127 I N 1.690 122.300 120.570 0.067 0.000 3.669 127 I HA 0.166 4.336 4.170 -0.000 0.000 0.255 127 I C 2.333 178.478 176.117 0.046 0.000 1.144 127 I CA 0.155 61.490 61.300 0.058 0.000 1.447 127 I CB -0.812 37.221 38.000 0.055 0.000 1.622 127 I HN 0.556 nan 8.210 nan 0.000 0.435 128 G N 0.643 109.472 108.800 0.049 0.000 2.418 128 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 128 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 128 G C 1.714 176.645 174.900 0.051 0.000 1.158 128 G CA 0.966 46.106 45.100 0.067 0.000 0.771 128 G HN 0.494 nan 8.290 nan 0.000 0.545 129 G N 0.420 109.228 108.800 0.013 0.000 2.440 129 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.218 129 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.218 129 G C 1.774 176.646 174.900 -0.046 0.000 1.154 129 G CA 1.180 46.267 45.100 -0.022 0.000 0.767 129 G HN 0.318 nan 8.290 nan 0.000 0.552 130 V N 1.456 121.334 119.914 -0.060 0.000 2.343 130 V HA -0.133 3.987 4.120 -0.000 0.000 0.247 130 V C 3.312 179.404 176.094 -0.004 0.000 1.051 130 V CA 2.022 64.282 62.300 -0.066 0.000 1.036 130 V CB -0.766 31.035 31.823 -0.036 0.000 0.654 130 V HN 0.497 nan 8.190 nan 0.000 0.451 131 A N 0.041 122.891 122.820 0.051 0.000 1.858 131 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 131 A C 2.183 179.836 177.584 0.116 0.000 1.190 131 A CA 1.987 54.101 52.037 0.129 0.000 0.617 131 A CB -0.624 18.502 19.000 0.211 0.000 0.827 131 A HN 0.492 nan 8.150 nan 0.000 0.443 132 L N -0.743 120.510 121.223 0.049 0.000 1.991 132 L HA -0.289 4.051 4.340 -0.000 0.000 0.221 132 L C 2.669 179.486 176.870 -0.089 0.000 1.079 132 L CA 1.787 56.574 54.840 -0.088 0.000 0.778 132 L CB -0.899 41.106 42.059 -0.089 0.000 0.893 132 L HN 0.374 nan 8.230 nan 0.000 0.437 133 L N -0.810 120.361 121.223 -0.086 0.000 2.042 133 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 133 L C 2.955 179.683 176.870 -0.237 0.000 1.076 133 L CA 1.306 56.060 54.840 -0.144 0.000 0.749 133 L CB -0.498 41.481 42.059 -0.134 0.000 0.893 133 L HN 0.213 nan 8.230 nan 0.000 0.432 134 R N -0.162 120.239 120.500 -0.165 0.000 2.083 134 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 134 R C 2.387 178.655 176.300 -0.054 0.000 1.137 134 R CA 1.468 57.474 56.100 -0.158 0.000 0.951 134 R CB -0.614 29.742 30.300 0.092 0.000 0.851 134 R HN 0.376 nan 8.270 nan 0.000 0.434 135 A N 1.377 124.210 122.820 0.021 0.000 1.898 135 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 135 A C 2.414 180.006 177.584 0.014 0.000 1.181 135 A CA 1.485 53.561 52.037 0.066 0.000 0.620 135 A CB -0.562 18.494 19.000 0.093 0.000 0.819 135 A HN 0.386 nan 8.150 nan 0.000 0.442 136 A N 0.104 122.889 122.820 -0.058 0.000 1.865 136 A HA 0.107 4.427 4.320 -0.000 0.000 0.217 136 A C 2.539 180.100 177.584 -0.040 0.000 1.191 136 A CA 2.355 54.357 52.037 -0.057 0.000 0.623 136 A CB -1.190 17.757 19.000 -0.088 0.000 0.826 136 A HN 1.117 nan 8.150 nan 0.000 0.444 137 A N -0.522 122.185 122.820 -0.189 0.000 1.933 137 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 137 A C 2.149 179.833 177.584 0.167 0.000 1.175 137 A CA 2.061 53.949 52.037 -0.248 0.000 0.628 137 A CB -0.439 17.946 19.000 -1.024 0.000 0.814 137 A HN 0.589 nan 8.150 nan 0.000 0.444 138 K N -0.432 120.121 120.400 0.255 0.000 2.025 138 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 138 K C 1.012 177.829 176.600 0.361 0.000 1.049 138 K CA 1.494 58.053 56.287 0.454 0.000 0.933 138 K CB -0.180 32.531 32.500 0.352 0.000 0.714 138 K HN 0.397 nan 8.250 nan 0.000 0.438 139 N N 1.300 120.113 118.700 0.188 0.000 2.484 139 N HA -0.053 4.687 4.740 -0.000 0.000 0.245 139 N C 0.685 176.211 175.510 0.026 0.000 1.184 139 N CA -0.076 53.013 53.050 0.065 0.000 0.884 139 N CB -0.130 38.382 38.487 0.042 0.000 1.182 139 N HN 0.328 nan 8.380 nan 0.000 0.493 140 H N -2.010 117.089 119.070 0.048 0.000 2.567 140 H HA 0.091 4.647 4.556 -0.000 0.000 0.276 140 H C 1.300 176.647 175.328 0.033 0.000 1.016 140 H CA 0.820 56.888 56.048 0.033 0.000 1.186 140 H CB -0.234 29.557 29.762 0.048 0.000 1.351 140 H HN 0.285 nan 8.280 nan 0.000 0.605 141 A N 1.404 123.994 122.820 -0.383 0.000 1.930 141 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 141 A C 2.576 180.107 177.584 -0.090 0.000 1.175 141 A CA 1.508 53.398 52.037 -0.244 0.000 0.627 141 A CB -0.331 18.541 19.000 -0.213 0.000 0.815 141 A HN 0.456 nan 8.150 nan 0.000 0.443 142 R N -1.556 118.908 120.500 -0.060 0.000 2.215 142 R HA 0.216 4.556 4.340 -0.000 0.000 0.190 142 R C -0.305 175.991 176.300 -0.007 0.000 0.968 142 R CA 0.344 56.429 56.100 -0.024 0.000 1.122 142 R CB 0.358 30.646 30.300 -0.019 0.000 1.151 142 R HN 0.200 nan 8.270 nan 0.000 0.582 143 V N 2.285 122.200 119.914 0.000 0.000 2.637 143 V HA 0.155 4.275 4.120 -0.000 0.000 0.296 143 V C -0.148 175.963 176.094 0.027 0.000 1.046 143 V CA 0.287 62.592 62.300 0.009 0.000 1.066 143 V CB 1.468 33.295 31.823 0.008 0.000 0.968 143 V HN 0.239 nan 8.190 nan 0.000 0.483 144 T N 4.665 119.229 114.554 0.016 0.000 2.788 144 T HA 0.435 4.785 4.350 -0.000 0.000 0.296 144 T C -0.445 174.266 174.700 0.019 0.000 1.009 144 T CA -0.171 61.943 62.100 0.023 0.000 0.949 144 T CB 1.324 70.208 68.868 0.026 0.000 0.946 144 T HN 0.522 nan 8.240 nan 0.000 0.453 145 V N 4.973 124.890 119.914 0.005 0.000 2.547 145 V HA 0.800 4.919 4.120 -0.000 0.000 0.299 145 V C -1.031 175.062 176.094 -0.001 0.000 1.040 145 V CA -0.433 61.863 62.300 -0.008 0.000 0.913 145 V CB 1.625 33.415 31.823 -0.056 0.000 0.992 145 V HN 0.661 nan 8.190 nan 0.000 0.449 146 V N 6.373 126.309 119.914 0.037 0.000 2.488 146 V HA 0.246 4.366 4.120 -0.000 0.000 0.293 146 V C 0.508 176.619 176.094 0.029 0.000 1.027 146 V CA -0.134 62.194 62.300 0.046 0.000 0.862 146 V CB 1.032 32.959 31.823 0.173 0.000 1.008 146 V HN 1.136 nan 8.190 nan 0.000 0.428 147 C N 0.168 119.435 119.300 -0.055 0.000 2.935 147 C HA 0.332 4.792 4.460 -0.000 0.000 0.308 147 C C 0.696 175.568 174.990 -0.196 0.000 1.263 147 C CA 0.162 59.124 59.018 -0.094 0.000 1.738 147 C CB -0.493 27.183 27.740 -0.107 0.000 2.237 147 C HN 0.783 nan 8.230 nan 0.000 0.600 148 D N 1.540 121.801 120.400 -0.231 0.000 2.414 148 D HA 0.419 5.059 4.640 -0.000 0.000 0.232 148 D C -1.792 174.211 176.300 -0.495 0.000 1.070 148 D CA -1.912 51.899 54.000 -0.315 0.000 0.839 148 D CB 1.579 42.225 40.800 -0.257 0.000 1.079 148 D HN -0.096 nan 8.370 nan 0.000 0.521 149 P HA -0.163 nan 4.420 nan 0.000 0.218 149 P C 0.838 177.542 177.300 -0.992 0.000 1.146 149 P CA 1.226 63.510 63.100 -1.359 0.000 0.820 149 P CB 0.184 31.427 31.700 -0.761 0.000 0.778 150 A N -0.947 121.567 122.820 -0.510 0.000 2.248 150 A HA -0.139 4.181 4.320 -0.000 0.000 0.210 150 A C 1.659 179.090 177.584 -0.255 0.000 1.174 150 A CA 1.339 53.192 52.037 -0.307 0.000 0.750 150 A CB -0.780 18.104 19.000 -0.194 0.000 0.780 150 A HN 0.125 nan 8.150 nan 0.000 0.478 151 D N -1.775 118.424 120.400 -0.334 0.000 2.366 151 D HA 0.008 4.648 4.640 -0.000 0.000 0.205 151 D C 1.004 177.184 176.300 -0.201 0.000 1.022 151 D CA 0.163 54.045 54.000 -0.198 0.000 0.868 151 D CB -0.107 40.597 40.800 -0.160 0.000 0.953 151 D HN 0.395 nan 8.370 nan 0.000 0.514 152 Y N 2.644 122.632 120.300 -0.521 0.000 1.977 152 Y HA -0.329 4.221 4.550 -0.000 0.000 0.264 152 Y C 2.886 178.566 175.900 -0.366 0.000 1.167 152 Y CA 1.145 58.684 58.100 -0.935 0.000 1.102 152 Y CB -1.533 36.457 38.460 -0.785 0.000 0.948 152 Y HN 0.019 nan 8.280 nan 0.000 0.489 153 S N -0.541 115.171 115.700 0.020 0.000 2.368 153 S HA -0.256 4.214 4.470 -0.000 0.000 0.226 153 S C 2.179 176.818 174.600 0.066 0.000 1.044 153 S CA 1.870 60.108 58.200 0.065 0.000 1.062 153 S CB -1.159 62.064 63.200 0.038 0.000 0.931 153 S HN 0.427 nan 8.310 nan 0.000 0.440 154 S N 1.817 117.536 115.700 0.033 0.000 2.353 154 S HA -0.088 4.382 4.470 -0.000 0.000 0.222 154 S C 2.071 176.716 174.600 0.074 0.000 1.035 154 S CA 1.424 59.652 58.200 0.047 0.000 1.025 154 S CB -0.944 62.279 63.200 0.040 0.000 0.902 154 S HN 0.436 nan 8.310 nan 0.000 0.440 155 V N 2.400 122.364 119.914 0.083 0.000 2.231 155 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 155 V C 2.727 178.939 176.094 0.197 0.000 1.054 155 V CA 1.900 64.286 62.300 0.144 0.000 1.015 155 V CB -1.479 30.470 31.823 0.210 0.000 0.638 155 V HN 0.565 nan 8.190 nan 0.000 0.444 156 A N 0.025 123.029 122.820 0.306 0.000 1.859 156 A HA -0.301 4.019 4.320 -0.000 0.000 0.217 156 A C 2.115 179.770 177.584 0.118 0.000 1.198 156 A CA 2.312 54.489 52.037 0.234 0.000 0.629 156 A CB -0.655 18.516 19.000 0.285 0.000 0.830 156 A HN 0.577 nan 8.150 nan 0.000 0.446 157 K N -0.354 120.108 120.400 0.103 0.000 2.640 157 K HA -0.092 4.228 4.320 -0.000 0.000 0.193 157 K C 1.539 178.173 176.600 0.056 0.000 1.036 157 K CA 1.062 57.389 56.287 0.067 0.000 0.962 157 K CB 0.001 32.536 32.500 0.057 0.000 0.791 157 K HN 0.746 nan 8.250 nan 0.000 0.491 158 E N -0.009 120.229 120.200 0.063 0.000 2.306 158 E HA 0.046 4.396 4.350 -0.000 0.000 0.201 158 E C 1.623 178.247 176.600 0.040 0.000 0.874 158 E CA 0.080 56.510 56.400 0.050 0.000 0.972 158 E CB 0.287 30.021 29.700 0.056 0.000 0.957 158 E HN 0.206 nan 8.360 nan 0.000 0.492 159 M N 0.476 120.101 119.600 0.042 0.000 2.236 159 M HA 0.112 4.592 4.480 -0.000 0.000 0.266 159 M C 2.165 178.474 176.300 0.015 0.000 1.070 159 M CA 1.121 56.435 55.300 0.023 0.000 1.137 159 M CB 0.086 32.695 32.600 0.015 0.000 1.378 159 M HN 0.052 nan 8.290 nan 0.000 0.426 160 A N 0.333 123.166 122.820 0.020 0.000 2.255 160 A HA 0.336 4.656 4.320 -0.000 0.000 0.206 160 A C 1.564 179.157 177.584 0.015 0.000 1.193 160 A CA 1.231 53.276 52.037 0.014 0.000 0.794 160 A CB -0.614 18.398 19.000 0.020 0.000 0.794 160 A HN 0.502 nan 8.150 nan 0.000 0.481 161 A N -1.406 121.425 122.820 0.019 0.000 2.622 161 A HA 0.523 4.843 4.320 -0.000 0.000 0.283 161 A C 0.519 178.113 177.584 0.016 0.000 0.998 161 A CA 0.493 52.541 52.037 0.017 0.000 0.985 161 A CB -0.262 18.751 19.000 0.022 0.000 1.236 161 A HN 0.329 nan 8.150 nan 0.000 0.559 162 S N -0.263 115.446 115.700 0.014 0.000 2.608 162 S HA 0.392 4.862 4.470 -0.000 0.000 0.291 162 S C 1.029 175.634 174.600 0.009 0.000 1.146 162 S CA -0.469 57.739 58.200 0.013 0.000 1.043 162 S CB 0.977 64.186 63.200 0.014 0.000 1.037 162 S HN 0.372 nan 8.310 nan 0.000 0.520 163 K N 1.197 121.602 120.400 0.009 0.000 2.211 163 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 163 K C 0.147 176.749 176.600 0.003 0.000 1.047 163 K CA 1.420 57.710 56.287 0.006 0.000 0.935 163 K CB -0.145 32.359 32.500 0.007 0.000 0.728 163 K HN 0.715 nan 8.250 nan 0.000 0.452 164 D N 0.145 120.547 120.400 0.003 0.000 2.952 164 D HA 0.073 4.713 4.640 -0.000 0.000 0.373 164 D C -1.104 175.194 176.300 -0.003 0.000 1.360 164 D CA -0.374 53.626 54.000 -0.000 0.000 0.788 164 D CB 0.148 40.948 40.800 0.000 0.000 1.192 164 D HN -0.113 nan 8.370 nan 0.000 0.462 165 K N 1.050 121.448 120.400 -0.003 0.000 4.444 165 K HA -0.212 4.108 4.320 -0.000 0.000 0.281 165 K C -0.834 175.762 176.600 -0.008 0.000 0.817 165 K CA 1.081 57.363 56.287 -0.007 0.000 0.793 165 K CB -0.738 31.753 32.500 -0.016 0.000 1.784 165 K HN 0.502 nan 8.250 nan 0.000 0.424 166 D N -1.205 119.196 120.400 0.001 0.000 2.728 166 D HA 0.120 4.760 4.640 -0.000 0.000 0.249 166 D C -0.523 175.786 176.300 0.016 0.000 1.225 166 D CA -0.052 53.950 54.000 0.004 0.000 0.748 166 D CB 1.125 41.926 40.800 0.002 0.000 1.326 166 D HN 0.144 nan 8.370 nan 0.000 0.426 167 T N -0.722 113.845 114.554 0.021 0.000 2.766 167 T HA 0.439 4.789 4.350 -0.000 0.000 0.295 167 T C 0.620 175.338 174.700 0.029 0.000 1.024 167 T CA -0.578 61.540 62.100 0.030 0.000 1.018 167 T CB 0.971 69.857 68.868 0.031 0.000 1.002 167 T HN 0.251 nan 8.240 nan 0.000 0.532 168 S N -0.437 115.285 115.700 0.037 0.000 2.576 168 S HA 0.096 4.566 4.470 -0.000 0.000 0.276 168 S C 1.363 175.989 174.600 0.044 0.000 1.339 168 S CA -0.386 57.838 58.200 0.040 0.000 1.039 168 S CB 0.798 64.027 63.200 0.049 0.000 0.902 168 S HN 0.824 nan 8.310 nan 0.000 0.516 169 V N 4.216 124.155 119.914 0.041 0.000 2.688 169 V HA -0.134 3.986 4.120 -0.000 0.000 0.256 169 V C 1.789 177.928 176.094 0.075 0.000 1.084 169 V CA 2.579 64.906 62.300 0.046 0.000 1.103 169 V CB -0.796 31.047 31.823 0.034 0.000 0.688 169 V HN 0.951 nan 8.190 nan 0.000 0.480 170 E N -0.601 119.645 120.200 0.076 0.000 2.042 170 E HA -0.104 4.246 4.350 -0.000 0.000 0.189 170 E C 2.188 178.855 176.600 0.112 0.000 0.974 170 E CA 1.358 57.817 56.400 0.098 0.000 0.806 170 E CB -0.543 29.208 29.700 0.085 0.000 0.769 170 E HN 0.538 nan 8.360 nan 0.000 0.451 171 T N 1.530 116.139 114.554 0.092 0.000 2.721 171 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 171 T C 1.788 176.482 174.700 -0.010 0.000 1.038 171 T CA 1.304 63.441 62.100 0.062 0.000 1.145 171 T CB -0.205 68.685 68.868 0.036 0.000 0.858 171 T HN 0.118 nan 8.240 nan 0.000 0.459 172 R N 0.400 120.927 120.500 0.044 0.000 2.120 172 R HA 0.011 4.351 4.340 -0.000 0.000 0.234 172 R C 2.742 179.112 176.300 0.116 0.000 1.123 172 R CA 1.073 57.214 56.100 0.069 0.000 0.975 172 R CB -0.149 30.214 30.300 0.105 0.000 0.866 172 R HN 0.401 nan 8.270 nan 0.000 0.446 173 R N -0.633 119.965 120.500 0.163 0.000 2.062 173 R HA -0.139 4.201 4.340 -0.000 0.000 0.231 173 R C 2.414 178.759 176.300 0.075 0.000 1.136 173 R CA 1.677 57.857 56.100 0.134 0.000 0.948 173 R CB -0.654 29.748 30.300 0.172 0.000 0.845 173 R HN 0.503 nan 8.270 nan 0.000 0.430 174 H N 0.917 120.004 119.070 0.028 0.000 2.353 174 H HA -0.130 4.426 4.556 -0.000 0.000 0.298 174 H C 1.869 177.197 175.328 -0.000 0.000 1.103 174 H CA 1.553 57.608 56.048 0.011 0.000 1.293 174 H CB -0.032 29.739 29.762 0.015 0.000 1.372 174 H HN 0.153 nan 8.280 nan 0.000 0.501 175 L N 0.536 121.627 121.223 -0.221 0.000 2.109 175 L HA -0.037 4.303 4.340 -0.000 0.000 0.207 175 L C 3.229 180.052 176.870 -0.079 0.000 1.086 175 L CA 0.651 55.360 54.840 -0.218 0.000 0.760 175 L CB -0.539 41.375 42.059 -0.242 0.000 0.910 175 L HN 0.385 nan 8.230 nan 0.000 0.437 176 A N 0.423 123.202 122.820 -0.069 0.000 1.883 176 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 176 A C 2.327 179.904 177.584 -0.011 0.000 1.186 176 A CA 1.685 53.656 52.037 -0.109 0.000 0.624 176 A CB -0.804 17.998 19.000 -0.330 0.000 0.822 176 A HN 0.389 nan 8.150 nan 0.000 0.444 177 L N -0.813 120.431 121.223 0.035 0.000 2.012 177 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 177 L C 2.605 179.544 176.870 0.115 0.000 1.073 177 L CA 2.409 57.312 54.840 0.105 0.000 0.748 177 L CB -0.356 41.757 42.059 0.089 0.000 0.891 177 L HN 0.507 nan 8.230 nan 0.000 0.431 178 K N -0.387 120.066 120.400 0.088 0.000 2.032 178 K HA -0.219 4.101 4.320 -0.000 0.000 0.209 178 K C 2.022 178.656 176.600 0.057 0.000 1.048 178 K CA 1.545 57.873 56.287 0.069 0.000 0.927 178 K CB -0.201 32.330 32.500 0.052 0.000 0.712 178 K HN 0.455 nan 8.250 nan 0.000 0.441 179 A N 0.536 123.350 122.820 -0.011 0.000 1.865 179 A HA -0.176 4.143 4.320 -0.000 0.000 0.217 179 A C 1.996 179.560 177.584 -0.034 0.000 1.191 179 A CA 1.646 53.642 52.037 -0.068 0.000 0.623 179 A CB -0.984 17.880 19.000 -0.227 0.000 0.826 179 A HN 0.364 nan 8.150 nan 0.000 0.444 180 F N 0.745 120.715 119.950 0.033 0.000 2.216 180 F HA -0.122 4.405 4.527 -0.000 0.000 0.300 180 F C 2.747 178.574 175.800 0.044 0.000 1.085 180 F CA 1.704 59.721 58.000 0.029 0.000 1.326 180 F CB -0.986 38.018 39.000 0.006 0.000 1.027 180 F HN 0.165 nan 8.300 nan 0.000 0.497 181 T N -2.294 112.402 114.554 0.237 0.000 2.777 181 T HA -0.222 4.128 4.350 -0.000 0.000 0.266 181 T C 1.754 176.559 174.700 0.175 0.000 1.040 181 T CA 1.633 63.836 62.100 0.172 0.000 1.141 181 T CB -0.432 68.515 68.868 0.132 0.000 0.868 181 T HN 0.257 nan 8.240 nan 0.000 0.444 182 H N 1.228 120.332 119.070 0.057 0.000 2.491 182 H HA -0.036 4.520 4.556 -0.000 0.000 0.290 182 H C 2.270 177.637 175.328 0.065 0.000 1.050 182 H CA 1.813 57.883 56.048 0.036 0.000 1.309 182 H CB -0.265 29.487 29.762 -0.017 0.000 1.392 182 H HN 0.450 nan 8.280 nan 0.000 0.554 183 T N -2.949 111.624 114.554 0.033 0.000 2.894 183 T HA 0.102 4.452 4.350 -0.000 0.000 0.258 183 T C 2.332 177.090 174.700 0.097 0.000 1.043 183 T CA 0.707 62.824 62.100 0.027 0.000 1.141 183 T CB -0.728 68.194 68.868 0.091 0.000 0.873 183 T HN 0.306 nan 8.240 nan 0.000 0.449 184 A N 1.785 124.677 122.820 0.119 0.000 1.972 184 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 184 A C 2.438 180.063 177.584 0.069 0.000 1.169 184 A CA 1.481 53.576 52.037 0.097 0.000 0.635 184 A CB -0.773 18.286 19.000 0.098 0.000 0.810 184 A HN 0.628 nan 8.150 nan 0.000 0.446 185 Q N -2.272 117.569 119.800 0.067 0.000 2.123 185 Q HA -0.139 4.201 4.340 -0.000 0.000 0.199 185 Q C 1.955 177.972 176.000 0.028 0.000 0.966 185 Q CA 1.358 57.192 55.803 0.051 0.000 0.845 185 Q CB -0.284 28.497 28.738 0.072 0.000 0.907 185 Q HN 0.792 nan 8.270 nan 0.000 0.439 186 Y N 2.244 122.463 120.300 -0.135 0.000 2.070 186 Y HA -0.270 4.279 4.550 -0.000 0.000 0.280 186 Y C 1.703 177.526 175.900 -0.128 0.000 1.148 186 Y CA 1.950 59.953 58.100 -0.162 0.000 1.125 186 Y CB -0.168 38.156 38.460 -0.225 0.000 0.975 186 Y HN 0.089 nan 8.280 nan 0.000 0.492 187 D N -0.435 119.930 120.400 -0.059 0.000 2.178 187 D HA -0.108 4.532 4.640 -0.000 0.000 0.202 187 D C 2.220 178.450 176.300 -0.116 0.000 0.974 187 D CA 1.216 55.139 54.000 -0.129 0.000 0.841 187 D CB -0.567 40.226 40.800 -0.011 0.000 0.953 187 D HN 0.441 nan 8.370 nan 0.000 0.478 188 A N 0.927 123.713 122.820 -0.057 0.000 1.940 188 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 188 A C 2.295 179.835 177.584 -0.073 0.000 1.176 188 A CA 2.119 54.133 52.037 -0.039 0.000 0.631 188 A CB -0.713 18.290 19.000 0.005 0.000 0.814 188 A HN 0.235 nan 8.150 nan 0.000 0.446 189 A N -0.112 122.651 122.820 -0.095 0.000 1.933 189 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 189 A C 2.108 179.663 177.584 -0.048 0.000 1.175 189 A CA 1.534 53.535 52.037 -0.060 0.000 0.628 189 A CB -0.562 18.401 19.000 -0.061 0.000 0.814 189 A HN 0.518 nan 8.150 nan 0.000 0.444 190 I N -0.421 119.978 120.570 -0.284 0.000 2.233 190 I HA -0.183 3.987 4.170 -0.000 0.000 0.243 190 I C 2.640 178.670 176.117 -0.145 0.000 1.093 190 I CA 1.264 62.288 61.300 -0.460 0.000 1.380 190 I CB -0.421 37.118 38.000 -0.768 0.000 1.067 190 I HN 0.200 nan 8.210 nan 0.000 0.413 191 S N 0.504 116.165 115.700 -0.066 0.000 2.374 191 S HA -0.285 4.185 4.470 -0.000 0.000 0.227 191 S C 1.640 176.216 174.600 -0.041 0.000 1.037 191 S CA 2.097 60.304 58.200 0.013 0.000 1.024 191 S CB -0.458 62.725 63.200 -0.029 0.000 0.861 191 S HN 0.518 nan 8.310 nan 0.000 0.456 192 D N 0.057 120.394 120.400 -0.106 0.000 2.078 192 D HA -0.178 4.462 4.640 -0.000 0.000 0.193 192 D C 1.845 178.095 176.300 -0.083 0.000 0.990 192 D CA 1.221 55.121 54.000 -0.166 0.000 0.827 192 D CB -0.344 40.377 40.800 -0.130 0.000 0.975 192 D HN 0.403 nan 8.370 nan 0.000 0.451 193 Y N -0.357 119.865 120.300 -0.129 0.000 2.193 193 Y HA -0.232 4.318 4.550 -0.000 0.000 0.285 193 Y C 1.748 177.536 175.900 -0.186 0.000 1.166 193 Y CA 1.627 59.635 58.100 -0.154 0.000 1.181 193 Y CB -0.432 37.987 38.460 -0.068 0.000 0.976 193 Y HN 0.024 nan 8.280 nan 0.000 0.520 194 F N -0.061 119.776 119.950 -0.188 0.000 2.293 194 F HA 0.003 4.530 4.527 -0.000 0.000 0.297 194 F C 2.418 178.044 175.800 -0.290 0.000 1.089 194 F CA 1.069 58.845 58.000 -0.373 0.000 1.377 194 F CB -0.632 38.296 39.000 -0.120 0.000 1.051 194 F HN -0.045 nan 8.300 nan 0.000 0.511 195 R N 0.287 120.780 120.500 -0.011 0.000 2.075 195 R HA -0.119 4.221 4.340 -0.000 0.000 0.232 195 R C 2.099 178.354 176.300 -0.074 0.000 1.126 195 R CA 1.265 57.345 56.100 -0.034 0.000 0.963 195 R CB -0.248 29.992 30.300 -0.100 0.000 0.858 195 R HN 0.225 nan 8.270 nan 0.000 0.435 196 K N 0.156 120.469 120.400 -0.146 0.000 2.148 196 K HA -0.095 4.225 4.320 -0.000 0.000 0.204 196 K C 1.845 178.339 176.600 -0.177 0.000 1.050 196 K CA 0.877 57.079 56.287 -0.141 0.000 0.942 196 K CB 0.147 32.558 32.500 -0.147 0.000 0.724 196 K HN 0.134 nan 8.250 nan 0.000 0.446 197 E N -0.487 119.519 120.200 -0.324 0.000 2.190 197 E HA -0.053 4.297 4.350 -0.000 0.000 0.191 197 E C 1.090 177.643 176.600 -0.078 0.000 0.978 197 E CA 1.018 57.212 56.400 -0.342 0.000 0.839 197 E CB 0.296 29.553 29.700 -0.738 0.000 0.787 197 E HN 0.357 nan 8.360 nan 0.000 0.473 198 Y N -1.070 119.208 120.300 -0.036 0.000 2.426 198 Y HA 0.297 4.846 4.550 -0.000 0.000 0.249 198 Y C 1.479 177.360 175.900 -0.033 0.000 1.103 198 Y CA -0.467 57.616 58.100 -0.029 0.000 1.256 198 Y CB 0.668 39.105 38.460 -0.039 0.000 1.208 198 Y HN -0.193 nan 8.280 nan 0.000 0.519 199 S N 0.136 115.900 115.700 0.107 0.000 2.741 199 S HA 0.151 4.621 4.470 -0.000 0.000 0.247 199 S C 0.244 174.859 174.600 0.026 0.000 1.050 199 S CA -0.482 57.752 58.200 0.057 0.000 1.025 199 S CB -0.245 62.984 63.200 0.049 0.000 0.897 199 S HN 0.149 nan 8.310 nan 0.000 0.508 200 K N 0.931 121.342 120.400 0.019 0.000 2.436 200 K HA 0.290 4.610 4.320 -0.000 0.000 0.282 200 K C 1.231 177.830 176.600 -0.001 0.000 1.044 200 K CA 1.238 57.526 56.287 0.003 0.000 1.028 200 K CB -0.136 32.364 32.500 -0.000 0.000 0.919 200 K HN 0.309 nan 8.250 nan 0.000 0.474 201 G N 2.106 110.901 108.800 -0.010 0.000 2.184 201 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.264 201 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.264 201 G C 0.491 175.380 174.900 -0.018 0.000 0.975 201 G CA 0.420 45.508 45.100 -0.020 0.000 0.642 201 G HN 0.458 nan 8.290 nan 0.000 0.536 202 V N 0.347 120.257 119.914 -0.006 0.000 2.635 202 V HA 0.288 4.408 4.120 -0.000 0.000 0.233 202 V C 2.234 178.328 176.094 0.000 0.000 1.097 202 V CA 2.387 64.685 62.300 -0.004 0.000 1.134 202 V CB 0.357 32.183 31.823 0.005 0.000 0.841 202 V HN 1.028 nan 8.190 nan 0.000 0.496 203 S N -1.675 114.036 115.700 0.018 0.000 2.733 203 S HA 0.278 4.748 4.470 -0.000 0.000 0.247 203 S C 0.283 174.923 174.600 0.067 0.000 1.043 203 S CA -0.239 57.983 58.200 0.037 0.000 1.066 203 S CB 0.579 63.809 63.200 0.050 0.000 1.045 203 S HN 0.425 nan 8.310 nan 0.000 0.586 204 Q N 0.825 120.653 119.800 0.046 0.000 2.315 204 Q HA 0.653 4.992 4.340 -0.000 0.000 0.273 204 Q C -2.369 173.647 176.000 0.026 0.000 1.053 204 Q CA -0.654 55.190 55.803 0.068 0.000 0.817 204 Q CB 2.305 31.065 28.738 0.037 0.000 1.326 204 Q HN 0.435 nan 8.270 nan 0.000 0.423 205 L N 5.779 127.017 121.223 0.025 0.000 2.476 205 L HA 0.604 4.944 4.340 -0.000 0.000 0.269 205 L C -2.684 174.181 176.870 -0.009 0.000 0.965 205 L CA -1.278 53.554 54.840 -0.012 0.000 0.845 205 L CB 2.397 44.427 42.059 -0.048 0.000 1.259 205 L HN 0.414 nan 8.230 nan 0.000 0.403 206 P HA 0.215 nan 4.420 nan 0.000 0.280 206 P C -1.218 176.069 177.300 -0.021 0.000 1.244 206 P CA -0.361 62.738 63.100 -0.000 0.000 0.784 206 P CB 1.327 33.028 31.700 0.002 0.000 0.913 207 L N 4.250 125.465 121.223 -0.014 0.000 2.375 207 L HA 0.349 4.688 4.340 -0.000 0.000 0.268 207 L C 2.203 179.041 176.870 -0.052 0.000 1.058 207 L CA -0.617 54.194 54.840 -0.049 0.000 0.803 207 L CB 0.850 42.890 42.059 -0.032 0.000 1.212 207 L HN 0.441 nan 8.230 nan 0.000 0.451 208 R N 1.745 122.155 120.500 -0.150 0.000 2.127 208 R HA -0.098 4.242 4.340 -0.000 0.000 0.238 208 R C -0.681 175.597 176.300 -0.036 0.000 1.134 208 R CA 1.348 57.354 56.100 -0.157 0.000 0.975 208 R CB -0.159 29.944 30.300 -0.327 0.000 0.865 208 R HN 0.679 nan 8.270 nan 0.000 0.447 209 Y N -4.921 115.415 120.300 0.060 0.000 3.010 209 Y HA 0.387 4.937 4.550 -0.000 0.000 0.399 209 Y C 0.012 175.957 175.900 0.076 0.000 1.189 209 Y CA -0.969 57.157 58.100 0.043 0.000 1.175 209 Y CB -0.094 38.371 38.460 0.009 0.000 1.619 209 Y HN -0.084 nan 8.280 nan 0.000 0.459 210 G N 0.391 109.340 108.800 0.248 0.000 2.679 210 G HA2 0.264 4.224 3.960 -0.000 0.000 0.202 210 G HA3 0.264 4.224 3.960 -0.000 0.000 0.202 210 G C 0.527 175.384 174.900 -0.072 0.000 1.566 210 G CA 0.020 45.091 45.100 -0.048 0.000 1.074 210 G HN 0.811 nan 8.290 nan 0.000 0.564 211 M N 0.007 119.345 119.600 -0.437 0.000 2.267 211 M HA 0.035 4.515 4.480 -0.000 0.000 0.263 211 M C 0.222 176.528 176.300 0.009 0.000 1.063 211 M CA 1.118 56.294 55.300 -0.207 0.000 1.090 211 M CB -0.179 32.265 32.600 -0.260 0.000 1.392 211 M HN 0.337 nan 8.290 nan 0.000 0.422 212 N N -2.325 116.340 118.700 -0.059 0.000 2.494 212 N HA 0.256 4.996 4.740 -0.000 0.000 0.270 212 N C -2.466 172.857 175.510 -0.311 0.000 1.285 212 N CA -1.151 51.850 53.050 -0.080 0.000 0.812 212 N CB 1.224 39.709 38.487 -0.003 0.000 1.557 212 N HN -0.308 nan 8.380 nan 0.000 0.487 213 P HA -0.126 nan 4.420 nan 0.000 0.223 213 P C 0.767 177.887 177.300 -0.300 0.000 1.144 213 P CA 1.259 63.859 63.100 -0.834 0.000 0.783 213 P CB -0.119 31.179 31.700 -0.669 0.000 0.771 214 H N -2.003 116.956 119.070 -0.186 0.000 2.526 214 H HA 0.225 4.781 4.556 -0.000 0.000 0.274 214 H C -0.108 175.190 175.328 -0.050 0.000 0.999 214 H CA 0.000 55.992 56.048 -0.094 0.000 1.157 214 H CB -0.221 29.499 29.762 -0.071 0.000 1.407 214 H HN 0.191 nan 8.280 nan 0.000 0.568 215 Q N 1.560 121.126 119.800 -0.390 0.000 2.413 215 Q HA 0.484 4.824 4.340 -0.000 0.000 0.258 215 Q C -0.876 175.086 176.000 -0.065 0.000 1.037 215 Q CA -0.478 55.169 55.803 -0.260 0.000 0.764 215 Q CB 2.010 30.526 28.738 -0.370 0.000 1.217 215 Q HN 0.144 nan 8.270 nan 0.000 0.490 216 S N 2.319 118.012 115.700 -0.012 0.000 2.549 216 S HA 0.677 5.147 4.470 -0.000 0.000 0.280 216 S C -2.064 172.556 174.600 0.033 0.000 1.109 216 S CA -0.934 57.291 58.200 0.041 0.000 0.905 216 S CB 1.487 64.722 63.200 0.058 0.000 1.081 216 S HN 0.549 nan 8.310 nan 0.000 0.477 217 P HA 0.886 nan 4.420 nan 0.000 0.287 217 P C -1.530 175.824 177.300 0.090 0.000 1.296 217 P CA -0.694 62.446 63.100 0.067 0.000 0.811 217 P CB 1.037 32.771 31.700 0.056 0.000 1.211 218 A N -0.068 122.820 122.820 0.112 0.000 2.549 218 A HA 0.648 4.968 4.320 -0.000 0.000 0.297 218 A C -0.980 176.677 177.584 0.122 0.000 1.061 218 A CA -0.510 51.627 52.037 0.167 0.000 0.690 218 A CB 1.892 21.051 19.000 0.265 0.000 1.287 218 A HN 0.788 nan 8.150 nan 0.000 0.402 219 Q N 0.147 120.020 119.800 0.120 0.000 2.648 219 Q HA 0.792 5.132 4.340 -0.000 0.000 0.300 219 Q C -2.088 173.908 176.000 -0.007 0.000 0.954 219 Q CA -0.911 54.933 55.803 0.069 0.000 0.757 219 Q CB 1.605 30.421 28.738 0.130 0.000 1.482 219 Q HN 1.185 nan 8.270 nan 0.000 0.437 220 L N 1.893 123.100 121.223 -0.027 0.000 2.385 220 L HA 0.773 5.113 4.340 -0.000 0.000 0.273 220 L C -1.874 175.001 176.870 0.008 0.000 0.990 220 L CA -0.315 54.447 54.840 -0.129 0.000 0.821 220 L CB 1.861 43.810 42.059 -0.184 0.000 1.279 220 L HN 0.771 nan 8.230 nan 0.000 0.412 221 Y N 1.012 121.269 120.300 -0.072 0.000 2.689 221 Y HA 0.833 5.383 4.550 -0.000 0.000 0.333 221 Y C -1.213 174.667 175.900 -0.034 0.000 1.208 221 Y CA -0.801 57.272 58.100 -0.046 0.000 1.055 221 Y CB 1.195 39.643 38.460 -0.022 0.000 1.304 221 Y HN 0.719 nan 8.280 nan 0.000 0.455 222 T N -0.372 114.371 114.554 0.315 0.000 2.903 222 T HA 0.389 4.739 4.350 -0.000 0.000 0.299 222 T C 0.330 175.190 174.700 0.267 0.000 1.093 222 T CA -0.053 62.177 62.100 0.217 0.000 1.002 222 T CB 1.286 70.219 68.868 0.107 0.000 1.127 222 T HN 1.142 nan 8.240 nan 0.000 0.488 223 T N 0.955 115.636 114.554 0.212 0.000 3.148 223 T HA 0.304 4.654 4.350 -0.000 0.000 0.253 223 T C 0.781 175.540 174.700 0.099 0.000 1.134 223 T CA -0.020 62.169 62.100 0.148 0.000 1.051 223 T CB -0.208 68.738 68.868 0.130 0.000 0.959 223 T HN 0.475 nan 8.240 nan 0.000 0.525 224 R N 1.109 121.671 120.500 0.103 0.000 2.553 224 R HA 0.367 4.707 4.340 -0.000 0.000 0.263 224 R C -1.672 174.667 176.300 0.065 0.000 1.066 224 R CA -2.267 53.880 56.100 0.079 0.000 1.135 224 R CB 0.104 30.463 30.300 0.098 0.000 1.148 224 R HN -0.062 nan 8.270 nan 0.000 0.558 225 P HA -0.211 nan 4.420 nan 0.000 0.216 225 P C -0.693 176.626 177.300 0.031 0.000 1.153 225 P CA 1.748 64.867 63.100 0.033 0.000 0.858 225 P CB 0.219 31.932 31.700 0.022 0.000 0.789 226 K N -2.294 118.127 120.400 0.035 0.000 2.546 226 K HA 0.381 4.701 4.320 -0.000 0.000 0.264 226 K C -1.057 175.550 176.600 0.013 0.000 0.937 226 K CA -0.925 55.374 56.287 0.020 0.000 0.833 226 K CB 0.899 33.403 32.500 0.006 0.000 1.378 226 K HN -0.230 nan 8.250 nan 0.000 0.432 227 L N 3.023 124.235 121.223 -0.018 0.000 2.499 227 L HA 0.097 4.437 4.340 -0.000 0.000 0.273 227 L C -1.152 175.650 176.870 -0.112 0.000 1.195 227 L CA -1.309 53.487 54.840 -0.073 0.000 0.882 227 L CB 0.420 42.423 42.059 -0.092 0.000 1.133 227 L HN 0.681 nan 8.230 nan 0.000 0.483 228 P HA -0.051 nan 4.420 nan 0.000 0.233 228 P C -0.055 177.072 177.300 -0.288 0.000 1.167 228 P CA 0.432 63.394 63.100 -0.230 0.000 0.770 228 P CB 0.400 31.821 31.700 -0.464 0.000 0.837 229 L N 1.325 122.368 121.223 -0.299 0.000 2.309 229 L HA 0.523 4.863 4.340 -0.000 0.000 0.282 229 L C -0.338 176.420 176.870 -0.186 0.000 1.036 229 L CA -0.338 54.332 54.840 -0.284 0.000 0.806 229 L CB 1.435 43.302 42.059 -0.320 0.000 1.220 229 L HN -0.128 nan 8.230 nan 0.000 0.429 230 T N 1.578 116.040 114.554 -0.154 0.000 2.909 230 T HA 0.653 5.003 4.350 -0.000 0.000 0.299 230 T C -0.695 173.948 174.700 -0.094 0.000 1.073 230 T CA -0.796 61.240 62.100 -0.106 0.000 0.999 230 T CB 1.361 70.182 68.868 -0.079 0.000 1.098 230 T HN 0.320 nan 8.240 nan 0.000 0.477 231 V N 3.264 123.127 119.914 -0.085 0.000 2.432 231 V HA 0.211 4.331 4.120 -0.000 0.000 0.271 231 V C 1.042 177.085 176.094 -0.086 0.000 1.046 231 V CA -0.271 61.978 62.300 -0.085 0.000 0.945 231 V CB 1.099 32.875 31.823 -0.079 0.000 0.992 231 V HN 0.931 nan 8.190 nan 0.000 0.471 232 V N 3.783 123.630 119.914 -0.112 0.000 3.263 232 V HA 0.222 4.342 4.120 -0.000 0.000 0.248 232 V C 0.572 176.586 176.094 -0.134 0.000 1.145 232 V CA 0.552 62.773 62.300 -0.132 0.000 1.107 232 V CB -0.215 31.480 31.823 -0.213 0.000 0.797 232 V HN 0.905 nan 8.190 nan 0.000 0.467 233 N N -1.519 117.098 118.700 -0.139 0.000 2.484 233 N HA 0.535 5.275 4.740 -0.000 0.000 0.269 233 N C -0.055 175.393 175.510 -0.102 0.000 1.237 233 N CA 0.583 53.567 53.050 -0.109 0.000 0.838 233 N CB 1.896 40.318 38.487 -0.110 0.000 1.593 233 N HN 0.394 nan 8.380 nan 0.000 0.485 234 G N 0.603 109.361 108.800 -0.070 0.000 2.641 234 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.254 234 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.254 234 G C -1.274 173.587 174.900 -0.065 0.000 1.315 234 G CA 0.080 45.141 45.100 -0.064 0.000 0.907 234 G HN 1.386 nan 8.290 nan 0.000 0.572 235 S N 1.018 116.681 115.700 -0.063 0.000 2.750 235 S HA 0.658 5.128 4.470 -0.000 0.000 0.276 235 S C -2.418 172.138 174.600 -0.074 0.000 1.165 235 S CA -0.446 57.715 58.200 -0.065 0.000 1.047 235 S CB 2.881 66.049 63.200 -0.054 0.000 1.056 235 S HN 0.899 nan 8.310 nan 0.000 0.481 236 P HA 0.367 nan 4.420 nan 0.000 0.270 236 P C 0.314 177.532 177.300 -0.137 0.000 1.223 236 P CA 0.058 63.107 63.100 -0.085 0.000 0.785 236 P CB 0.609 32.244 31.700 -0.109 0.000 0.923 237 G N -0.231 108.480 108.800 -0.149 0.000 2.887 237 G HA2 0.312 4.272 3.960 -0.000 0.000 0.277 237 G HA3 0.312 4.272 3.960 -0.000 0.000 0.277 237 G C 0.035 174.867 174.900 -0.113 0.000 1.346 237 G CA -0.693 44.276 45.100 -0.218 0.000 1.058 237 G HN 0.392 nan 8.290 nan 0.000 0.535 238 F N -0.135 119.701 119.950 -0.190 0.000 2.051 238 F HA 0.005 4.532 4.527 -0.000 0.000 0.296 238 F C 2.611 178.357 175.800 -0.089 0.000 1.122 238 F CA 1.482 59.418 58.000 -0.106 0.000 1.201 238 F CB -0.100 38.875 39.000 -0.041 0.000 0.978 238 F HN 0.211 nan 8.300 nan 0.000 0.472 239 I N 0.231 120.962 120.570 0.268 0.000 2.361 239 I HA -0.350 3.820 4.170 -0.000 0.000 0.251 239 I C 1.958 178.058 176.117 -0.028 0.000 1.133 239 I CA 1.611 63.009 61.300 0.164 0.000 1.413 239 I CB -0.877 37.231 38.000 0.181 0.000 1.073 239 I HN 0.295 nan 8.210 nan 0.000 0.424 240 N N 0.955 119.603 118.700 -0.087 0.000 2.094 240 N HA -0.207 4.533 4.740 -0.000 0.000 0.191 240 N C 1.904 177.076 175.510 -0.564 0.000 1.023 240 N CA 1.199 54.096 53.050 -0.254 0.000 0.857 240 N CB -0.104 38.299 38.487 -0.140 0.000 1.013 240 N HN 0.289 nan 8.380 nan 0.000 0.426 241 L N 0.069 121.045 121.223 -0.410 0.000 2.131 241 L HA -0.092 4.248 4.340 -0.000 0.000 0.206 241 L C 2.451 179.091 176.870 -0.383 0.000 1.087 241 L CA 0.506 55.078 54.840 -0.446 0.000 0.767 241 L CB -0.348 41.466 42.059 -0.409 0.000 0.917 241 L HN 0.335 nan 8.230 nan 0.000 0.441 242 C N 0.000 119.135 119.300 -0.276 0.000 2.398 242 C HA -0.199 4.261 4.460 -0.000 0.000 0.276 242 C C 2.492 177.378 174.990 -0.172 0.000 1.222 242 C CA 0.787 59.718 59.018 -0.145 0.000 1.746 242 C CB -0.753 27.002 27.740 0.025 0.000 2.039 242 C HN 0.552 nan 8.230 nan 0.000 0.470 243 D N 0.590 120.864 120.400 -0.210 0.000 2.097 243 D HA -0.059 4.581 4.640 -0.000 0.000 0.197 243 D C 2.351 178.305 176.300 -0.576 0.000 0.984 243 D CA 1.662 55.499 54.000 -0.272 0.000 0.826 243 D CB -0.494 40.278 40.800 -0.047 0.000 0.973 243 D HN 0.495 nan 8.370 nan 0.000 0.460 244 A N 1.045 123.450 122.820 -0.693 0.000 1.877 244 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 244 A C 2.410 179.780 177.584 -0.356 0.000 1.186 244 A CA 1.010 52.665 52.037 -0.636 0.000 0.620 244 A CB -0.824 17.654 19.000 -0.870 0.000 0.822 244 A HN 0.198 nan 8.150 nan 0.000 0.443 245 L N -0.440 120.583 121.223 -0.334 0.000 2.217 245 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 245 L C 2.216 178.970 176.870 -0.193 0.000 1.107 245 L CA 0.730 55.449 54.840 -0.202 0.000 0.783 245 L CB -0.490 41.451 42.059 -0.196 0.000 0.919 245 L HN 0.422 nan 8.230 nan 0.000 0.442 246 N N 0.242 118.736 118.700 -0.344 0.000 2.251 246 N HA -0.038 4.702 4.740 -0.000 0.000 0.181 246 N C 1.970 177.029 175.510 -0.751 0.000 1.019 246 N CA 1.256 54.052 53.050 -0.423 0.000 0.862 246 N CB 0.042 38.384 38.487 -0.242 0.000 0.992 246 N HN 0.231 nan 8.380 nan 0.000 0.429 247 A N 1.661 123.844 122.820 -1.060 0.000 1.940 247 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 247 A C 2.009 179.442 177.584 -0.251 0.000 1.176 247 A CA 0.987 52.567 52.037 -0.762 0.000 0.631 247 A CB -1.102 17.580 19.000 -0.531 0.000 0.814 247 A HN 0.601 nan 8.150 nan 0.000 0.446 248 W N 0.764 121.857 121.300 -0.346 0.000 2.355 248 W HA -0.234 4.426 4.660 -0.000 0.000 0.309 248 W C 2.067 178.447 176.519 -0.232 0.000 1.206 248 W CA 1.988 59.203 57.345 -0.218 0.000 1.284 248 W CB -0.363 28.981 29.460 -0.193 0.000 1.145 248 W HN 0.533 nan 8.180 nan 0.000 0.502 249 Q N 0.608 120.148 119.800 -0.434 0.000 2.084 249 Q HA -0.243 4.097 4.340 -0.000 0.000 0.202 249 Q C 2.472 178.121 176.000 -0.585 0.000 0.978 249 Q CA 1.865 57.353 55.803 -0.525 0.000 0.844 249 Q CB -0.619 27.813 28.738 -0.509 0.000 0.898 249 Q HN 0.394 nan 8.270 nan 0.000 0.426 250 L N 0.748 121.541 121.223 -0.717 0.000 1.976 250 L HA -0.199 4.141 4.340 -0.000 0.000 0.209 250 L C 2.460 179.211 176.870 -0.198 0.000 1.071 250 L CA 1.561 56.203 54.840 -0.329 0.000 0.746 250 L CB -0.423 41.575 42.059 -0.101 0.000 0.890 250 L HN 0.250 nan 8.230 nan 0.000 0.432 251 V N -1.927 117.845 119.914 -0.238 0.000 2.332 251 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 251 V C 2.531 178.414 176.094 -0.351 0.000 1.055 251 V CA 2.260 64.424 62.300 -0.227 0.000 1.038 251 V CB -1.047 30.660 31.823 -0.193 0.000 0.651 251 V HN 0.560 nan 8.190 nan 0.000 0.450 252 K N 0.548 120.577 120.400 -0.619 0.000 2.032 252 K HA -0.250 4.070 4.320 -0.000 0.000 0.209 252 K C 2.216 178.646 176.600 -0.283 0.000 1.048 252 K CA 2.306 58.240 56.287 -0.589 0.000 0.927 252 K CB -0.300 31.710 32.500 -0.818 0.000 0.712 252 K HN 0.697 nan 8.250 nan 0.000 0.441 253 E N 0.322 120.396 120.200 -0.210 0.000 2.150 253 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 253 E C 1.971 178.538 176.600 -0.055 0.000 0.985 253 E CA 0.634 56.983 56.400 -0.084 0.000 0.814 253 E CB 0.002 29.701 29.700 -0.001 0.000 0.752 253 E HN 0.159 nan 8.360 nan 0.000 0.466 254 L N 1.592 122.777 121.223 -0.064 0.000 2.046 254 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 254 L C 2.225 179.073 176.870 -0.036 0.000 1.077 254 L CA 1.812 56.635 54.840 -0.029 0.000 0.747 254 L CB -0.316 41.730 42.059 -0.022 0.000 0.896 254 L HN -0.060 nan 8.230 nan 0.000 0.432 255 K N -1.169 119.189 120.400 -0.070 0.000 2.062 255 K HA -0.170 4.150 4.320 -0.000 0.000 0.205 255 K C 2.006 178.580 176.600 -0.043 0.000 1.051 255 K CA 1.249 57.502 56.287 -0.056 0.000 0.941 255 K CB -0.044 32.407 32.500 -0.082 0.000 0.719 255 K HN 0.427 nan 8.250 nan 0.000 0.440 256 Q N -0.357 119.410 119.800 -0.055 0.000 2.181 256 Q HA -0.144 4.196 4.340 -0.000 0.000 0.205 256 Q C 1.937 177.925 176.000 -0.021 0.000 0.980 256 Q CA 1.528 57.309 55.803 -0.037 0.000 0.862 256 Q CB -0.051 28.662 28.738 -0.042 0.000 0.905 256 Q HN 0.398 nan 8.270 nan 0.000 0.429 257 A N -0.018 122.792 122.820 -0.017 0.000 1.984 257 A HA 0.054 4.374 4.320 -0.000 0.000 0.214 257 A C 1.681 179.268 177.584 0.006 0.000 1.173 257 A CA 0.613 52.649 52.037 -0.003 0.000 0.673 257 A CB 0.166 19.169 19.000 0.005 0.000 0.830 257 A HN 0.258 nan 8.150 nan 0.000 0.453 258 L N -1.574 119.652 121.223 0.003 0.000 2.858 258 L HA 0.327 4.667 4.340 -0.000 0.000 0.251 258 L C 1.300 178.172 176.870 0.003 0.000 1.149 258 L CA 0.394 55.238 54.840 0.008 0.000 0.955 258 L CB 0.331 42.397 42.059 0.012 0.000 1.289 258 L HN 0.425 nan 8.230 nan 0.000 0.542 259 G N 1.873 110.671 108.800 -0.003 0.000 2.338 259 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.296 259 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.296 259 G C -0.158 174.743 174.900 0.000 0.000 1.040 259 G CA 0.447 45.545 45.100 -0.003 0.000 1.004 259 G HN 0.336 nan 8.290 nan 0.000 0.509 260 I N -0.937 119.633 120.570 0.000 0.000 2.752 260 I HA 0.309 4.479 4.170 -0.000 0.000 0.295 260 I C -2.411 173.709 176.117 0.005 0.000 1.219 260 I CA -2.710 58.594 61.300 0.007 0.000 1.030 260 I CB 2.637 40.645 38.000 0.014 0.000 1.259 260 I HN -0.168 nan 8.210 nan 0.000 0.423 261 P HA 0.098 nan 4.420 nan 0.000 0.264 261 P C -1.064 176.248 177.300 0.019 0.000 1.179 261 P CA 0.162 63.270 63.100 0.013 0.000 0.763 261 P CB 0.540 32.255 31.700 0.025 0.000 0.806 262 A N 2.047 124.872 122.820 0.009 0.000 2.498 262 A HA 0.858 5.178 4.320 -0.000 0.000 0.298 262 A C -1.046 176.569 177.584 0.052 0.000 1.075 262 A CA -0.335 51.716 52.037 0.022 0.000 0.714 262 A CB 1.835 20.829 19.000 -0.011 0.000 1.299 262 A HN 0.531 nan 8.150 nan 0.000 0.407 263 A N -0.167 122.710 122.820 0.096 0.000 2.530 263 A HA 1.058 5.378 4.320 -0.000 0.000 0.288 263 A C -0.438 177.255 177.584 0.182 0.000 1.172 263 A CA -0.207 51.934 52.037 0.174 0.000 0.733 263 A CB 1.469 20.635 19.000 0.276 0.000 1.320 263 A HN 2.679 nan 8.150 nan 0.000 0.419 264 A N -0.456 122.528 122.820 0.273 0.000 2.577 264 A HA 0.695 5.015 4.320 -0.000 0.000 0.297 264 A C -0.755 177.062 177.584 0.388 0.000 1.060 264 A CA 0.159 52.367 52.037 0.285 0.000 0.697 264 A CB 1.151 20.357 19.000 0.344 0.000 1.281 264 A HN 1.632 nan 8.150 nan 0.000 0.402 265 S N 1.318 117.190 115.700 0.286 0.000 2.520 265 S HA 0.683 5.153 4.470 -0.000 0.000 0.324 265 S C -1.243 173.514 174.600 0.262 0.000 1.069 265 S CA -0.218 58.170 58.200 0.312 0.000 1.121 265 S CB -0.426 62.868 63.200 0.157 0.000 0.971 265 S HN 0.438 nan 8.310 nan 0.000 0.463 266 F N 3.691 123.778 119.950 0.229 0.000 2.404 266 F HA 0.651 5.178 4.527 -0.000 0.000 0.339 266 F C 0.309 176.225 175.800 0.194 0.000 1.105 266 F CA -0.468 57.654 58.000 0.204 0.000 1.087 266 F CB 1.509 40.629 39.000 0.199 0.000 1.143 266 F HN 0.375 nan 8.300 nan 0.000 0.491 267 K N 2.473 122.999 120.400 0.211 0.000 2.565 267 K HA 0.317 4.637 4.320 -0.000 0.000 0.249 267 K C -0.735 176.007 176.600 0.236 0.000 0.958 267 K CA -0.474 55.924 56.287 0.186 0.000 0.806 267 K CB 0.269 32.863 32.500 0.158 0.000 1.194 267 K HN 0.568 nan 8.250 nan 0.000 0.434 268 H N 3.316 122.520 119.070 0.223 0.000 2.692 268 H HA -0.133 4.423 4.556 -0.000 0.000 0.316 268 H C -0.246 175.220 175.328 0.229 0.000 1.176 268 H CA 1.110 57.276 56.048 0.197 0.000 1.142 268 H CB -1.392 28.457 29.762 0.146 0.000 1.475 268 H HN 0.671 nan 8.280 nan 0.000 0.423 269 V N -1.517 118.653 119.914 0.426 0.000 4.654 269 V HA -0.310 3.810 4.120 -0.000 0.000 0.261 269 V C 0.713 177.150 176.094 0.572 0.000 0.471 269 V CA 1.646 64.250 62.300 0.506 0.000 0.802 269 V CB -1.778 30.248 31.823 0.337 0.000 0.768 269 V HN 0.622 nan 8.190 nan 0.000 1.286 270 S N -0.013 115.870 115.700 0.305 0.000 2.556 270 S HA 0.640 5.110 4.470 -0.000 0.000 0.271 270 S C -2.807 171.220 174.600 -0.956 0.000 1.135 270 S CA -0.837 57.290 58.200 -0.120 0.000 0.858 270 S CB 3.278 66.498 63.200 0.034 0.000 1.114 270 S HN 0.270 nan 8.310 nan 0.000 0.468 271 P HA 0.243 nan 4.420 nan 0.000 0.276 271 P C -0.154 176.943 177.300 -0.338 0.000 1.243 271 P CA -0.119 62.433 63.100 -0.913 0.000 0.768 271 P CB 1.117 32.558 31.700 -0.432 0.000 0.856 272 A N 3.683 126.379 122.820 -0.206 0.000 2.021 272 A HA 0.421 4.741 4.320 -0.000 0.000 0.216 272 A C 1.091 178.661 177.584 -0.024 0.000 1.163 272 A CA 1.303 53.313 52.037 -0.045 0.000 0.676 272 A CB -0.477 18.543 19.000 0.033 0.000 0.818 272 A HN 0.663 nan 8.150 nan 0.000 0.453 273 G N -3.052 105.726 108.800 -0.035 0.000 2.576 273 G HA2 0.685 4.645 3.960 -0.000 0.000 0.290 273 G HA3 0.685 4.645 3.960 -0.000 0.000 0.290 273 G C -1.277 173.626 174.900 0.005 0.000 1.442 273 G CA 0.139 45.227 45.100 -0.020 0.000 0.792 273 G HN 1.390 nan 8.290 nan 0.000 0.491 274 A N -1.310 121.516 122.820 0.010 0.000 2.586 274 A HA 1.095 5.415 4.320 -0.000 0.000 0.296 274 A C -0.511 177.092 177.584 0.032 0.000 1.040 274 A CA 0.438 52.504 52.037 0.048 0.000 0.701 274 A CB 0.949 19.994 19.000 0.075 0.000 1.277 274 A HN 2.712 nan 8.150 nan 0.000 0.413 275 A N -0.148 122.700 122.820 0.047 0.000 2.566 275 A HA 0.844 5.164 4.320 -0.000 0.000 0.290 275 A C -0.683 176.929 177.584 0.046 0.000 1.071 275 A CA 0.062 52.123 52.037 0.039 0.000 0.658 275 A CB 0.207 19.228 19.000 0.035 0.000 1.285 275 A HN 2.324 nan 8.150 nan 0.000 0.427 276 V N -1.328 118.611 119.914 0.040 0.000 2.834 276 V HA 0.795 4.915 4.120 -0.000 0.000 0.313 276 V C 1.019 177.143 176.094 0.049 0.000 1.060 276 V CA -0.051 62.271 62.300 0.037 0.000 0.989 276 V CB 1.334 33.174 31.823 0.027 0.000 1.041 276 V HN 1.880 nan 8.190 nan 0.000 0.459 277 G N 2.337 111.167 108.800 0.049 0.000 3.211 277 G HA2 0.169 4.129 3.960 -0.000 0.000 0.235 277 G HA3 0.169 4.129 3.960 -0.000 0.000 0.235 277 G C 0.251 175.187 174.900 0.060 0.000 1.032 277 G CA -0.197 44.938 45.100 0.058 0.000 1.819 277 G HN 0.650 nan 8.290 nan 0.000 0.590 278 I N 2.397 123.005 120.570 0.064 0.000 2.517 278 I HA 0.097 4.267 4.170 -0.000 0.000 0.285 278 I C -1.389 174.781 176.117 0.088 0.000 1.106 278 I CA -1.729 59.612 61.300 0.070 0.000 1.402 278 I CB 1.168 39.212 38.000 0.072 0.000 1.399 278 I HN 0.163 nan 8.210 nan 0.000 0.535 279 P HA 0.030 nan 4.420 nan 0.000 0.265 279 P C -1.001 176.379 177.300 0.135 0.000 1.187 279 P CA -0.141 63.023 63.100 0.106 0.000 0.766 279 P CB 0.708 32.461 31.700 0.088 0.000 0.820 280 L N 2.182 123.503 121.223 0.163 0.000 2.360 280 L HA 0.375 4.715 4.340 -0.000 0.000 0.271 280 L C 1.313 178.275 176.870 0.152 0.000 1.057 280 L CA -0.141 54.788 54.840 0.149 0.000 0.803 280 L CB 0.754 42.883 42.059 0.115 0.000 1.207 280 L HN 0.449 nan 8.230 nan 0.000 0.445 281 S N -0.467 115.274 115.700 0.070 0.000 2.693 281 S HA 0.329 4.799 4.470 -0.000 0.000 0.276 281 S C 0.766 175.224 174.600 -0.237 0.000 1.192 281 S CA -0.646 57.563 58.200 0.015 0.000 0.994 281 S CB 0.783 64.023 63.200 0.067 0.000 1.012 281 S HN 0.631 nan 8.310 nan 0.000 0.550 282 E N 0.698 120.732 120.200 -0.276 0.000 2.118 282 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 282 E C 1.856 178.459 176.600 0.004 0.000 0.992 282 E CA 1.534 57.782 56.400 -0.254 0.000 0.804 282 E CB -0.151 29.593 29.700 0.073 0.000 0.741 282 E HN 0.731 nan 8.360 nan 0.000 0.458 283 E N 0.654 120.846 120.200 -0.014 0.000 2.028 283 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 283 E C 2.097 178.652 176.600 -0.076 0.000 0.988 283 E CA 1.038 57.419 56.400 -0.033 0.000 0.799 283 E CB -0.022 29.673 29.700 -0.008 0.000 0.755 283 E HN 0.088 nan 8.360 nan 0.000 0.447 284 E N 1.142 121.319 120.200 -0.039 0.000 2.077 284 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 284 E C 1.874 178.457 176.600 -0.029 0.000 0.989 284 E CA 1.380 57.765 56.400 -0.026 0.000 0.800 284 E CB -0.247 29.516 29.700 0.105 0.000 0.746 284 E HN 0.235 nan 8.360 nan 0.000 0.452 285 A N 0.283 123.072 122.820 -0.051 0.000 1.940 285 A HA -0.279 4.041 4.320 -0.000 0.000 0.219 285 A C 2.210 179.810 177.584 0.027 0.000 1.176 285 A CA 2.017 54.034 52.037 -0.033 0.000 0.631 285 A CB -0.773 18.113 19.000 -0.190 0.000 0.814 285 A HN 0.370 nan 8.150 nan 0.000 0.446 286 Q N -0.139 119.678 119.800 0.027 0.000 2.079 286 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 286 Q C 1.824 177.795 176.000 -0.049 0.000 0.974 286 Q CA 2.191 57.996 55.803 0.003 0.000 0.840 286 Q CB -0.542 28.155 28.738 -0.068 0.000 0.898 286 Q HN 0.331 nan 8.270 nan 0.000 0.430 287 V N -0.504 119.335 119.914 -0.125 0.000 2.343 287 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 287 V C 2.178 178.245 176.094 -0.044 0.000 1.051 287 V CA 1.671 63.864 62.300 -0.178 0.000 1.036 287 V CB -0.507 31.023 31.823 -0.488 0.000 0.654 287 V HN 0.508 nan 8.190 nan 0.000 0.451 288 C N -0.282 119.021 119.300 0.005 0.000 2.539 288 C HA 0.222 4.682 4.460 -0.000 0.000 0.271 288 C C 1.500 176.521 174.990 0.052 0.000 1.412 288 C CA -0.129 58.926 59.018 0.061 0.000 1.729 288 C CB -1.718 26.071 27.740 0.082 0.000 1.739 288 C HN 0.685 nan 8.230 nan 0.000 0.570 289 M N -0.765 118.857 119.600 0.037 0.000 2.297 289 M HA -0.163 4.317 4.480 -0.000 0.000 0.200 289 M C 0.340 176.675 176.300 0.059 0.000 0.414 289 M CA 0.564 55.888 55.300 0.040 0.000 0.449 289 M CB -1.700 30.919 32.600 0.032 0.000 1.436 289 M HN 0.385 nan 8.290 nan 0.000 0.912 290 V N -4.850 115.109 119.914 0.075 0.000 3.070 290 V HA 0.173 4.293 4.120 -0.000 0.000 0.355 290 V C 1.462 177.610 176.094 0.090 0.000 1.400 290 V CA 0.113 62.462 62.300 0.081 0.000 1.170 290 V CB -0.120 31.754 31.823 0.084 0.000 1.169 290 V HN 0.642 nan 8.190 nan 0.000 0.554 291 H N 3.283 122.360 119.070 0.012 0.000 2.421 291 H HA -0.120 4.436 4.556 -0.000 0.000 0.298 291 H C 1.674 177.034 175.328 0.055 0.000 1.087 291 H CA 2.273 58.326 56.048 0.007 0.000 1.330 291 H CB 0.174 29.917 29.762 -0.032 0.000 1.388 291 H HN 0.763 nan 8.280 nan 0.000 0.526 292 D N 0.125 120.627 120.400 0.169 0.000 2.348 292 D HA -0.106 4.534 4.640 -0.000 0.000 0.216 292 D C 1.678 178.010 176.300 0.053 0.000 0.970 292 D CA 0.339 54.412 54.000 0.122 0.000 0.889 292 D CB -0.291 40.565 40.800 0.092 0.000 0.912 292 D HN 0.409 nan 8.370 nan 0.000 0.524 293 L N -0.478 120.772 121.223 0.045 0.000 2.906 293 L HA 0.128 4.468 4.340 -0.000 0.000 0.255 293 L C 2.030 178.928 176.870 0.047 0.000 1.166 293 L CA -0.335 54.528 54.840 0.038 0.000 0.977 293 L CB -0.084 42.003 42.059 0.046 0.000 1.313 293 L HN 0.080 nan 8.230 nan 0.000 0.549 294 H N 1.640 120.642 119.070 -0.114 0.000 2.272 294 H HA -0.237 4.319 4.556 -0.000 0.000 0.289 294 H C 1.451 176.734 175.328 -0.075 0.000 1.100 294 H CA 1.788 57.758 56.048 -0.130 0.000 1.209 294 H CB 0.543 30.130 29.762 -0.292 0.000 1.348 294 H HN 0.120 nan 8.280 nan 0.000 0.481 295 K N 0.037 120.319 120.400 -0.197 0.000 2.360 295 K HA -0.071 4.249 4.320 -0.000 0.000 0.201 295 K C 2.038 178.563 176.600 -0.125 0.000 1.046 295 K CA 1.420 57.566 56.287 -0.235 0.000 0.945 295 K CB -0.440 31.971 32.500 -0.147 0.000 0.750 295 K HN 0.593 nan 8.250 nan 0.000 0.464 296 T N -2.092 112.424 114.554 -0.063 0.000 3.060 296 T HA 0.198 4.548 4.350 -0.000 0.000 0.249 296 T C 0.843 175.537 174.700 -0.011 0.000 1.079 296 T CA -0.330 61.752 62.100 -0.030 0.000 1.013 296 T CB -0.138 68.725 68.868 -0.009 0.000 0.975 296 T HN -0.067 nan 8.240 nan 0.000 0.518 297 L N 3.902 125.122 121.223 -0.004 0.000 2.513 297 L HA 0.265 4.605 4.340 -0.000 0.000 0.272 297 L C 1.118 178.002 176.870 0.022 0.000 1.187 297 L CA -0.329 54.530 54.840 0.031 0.000 0.895 297 L CB 0.293 42.395 42.059 0.071 0.000 1.147 297 L HN 0.375 nan 8.230 nan 0.000 0.483 298 T N 0.101 114.676 114.554 0.034 0.000 2.912 298 T HA 0.344 4.694 4.350 -0.000 0.000 0.280 298 T C -1.903 172.823 174.700 0.045 0.000 0.989 298 T CA -1.963 60.155 62.100 0.030 0.000 0.995 298 T CB 1.496 70.381 68.868 0.028 0.000 1.077 298 T HN 0.263 nan 8.240 nan 0.000 0.531 299 P HA -0.073 nan 4.420 nan 0.000 0.216 299 P C 1.637 178.973 177.300 0.060 0.000 1.150 299 P CA 0.407 63.535 63.100 0.048 0.000 0.843 299 P CB -0.040 31.681 31.700 0.036 0.000 0.787 300 L N -0.387 120.870 121.223 0.056 0.000 2.056 300 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 300 L C 2.200 179.133 176.870 0.104 0.000 1.078 300 L CA 2.000 56.882 54.840 0.070 0.000 0.749 300 L CB -1.570 40.520 42.059 0.051 0.000 0.901 300 L HN -0.127 nan 8.230 nan 0.000 0.433 301 A N -1.276 121.601 122.820 0.095 0.000 1.940 301 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 301 A C 2.348 180.018 177.584 0.144 0.000 1.176 301 A CA 2.032 54.144 52.037 0.123 0.000 0.631 301 A CB -0.928 18.127 19.000 0.092 0.000 0.814 301 A HN 0.562 nan 8.150 nan 0.000 0.446 302 S N 0.151 115.920 115.700 0.114 0.000 2.383 302 S HA -0.001 4.469 4.470 -0.000 0.000 0.227 302 S C 2.295 176.960 174.600 0.109 0.000 1.026 302 S CA 1.063 59.331 58.200 0.112 0.000 0.981 302 S CB -0.523 62.738 63.200 0.102 0.000 0.818 302 S HN 0.811 nan 8.310 nan 0.000 0.472 303 A N 0.984 123.871 122.820 0.111 0.000 1.883 303 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 303 A C 2.016 179.673 177.584 0.121 0.000 1.186 303 A CA 1.825 53.926 52.037 0.107 0.000 0.624 303 A CB -1.052 18.012 19.000 0.106 0.000 0.822 303 A HN 0.554 nan 8.150 nan 0.000 0.444 304 Y N 0.467 120.812 120.300 0.076 0.000 2.200 304 Y HA -0.007 4.543 4.550 -0.000 0.000 0.290 304 Y C 2.680 178.635 175.900 0.093 0.000 1.137 304 Y CA 1.012 59.163 58.100 0.085 0.000 1.163 304 Y CB -0.633 37.875 38.460 0.080 0.000 0.988 304 Y HN 0.306 nan 8.280 nan 0.000 0.518 305 A N 0.484 123.301 122.820 -0.005 0.000 1.940 305 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 305 A C 2.330 179.883 177.584 -0.052 0.000 1.176 305 A CA 1.877 53.890 52.037 -0.039 0.000 0.631 305 A CB -0.572 18.473 19.000 0.076 0.000 0.814 305 A HN 0.533 nan 8.150 nan 0.000 0.446 306 R N -0.548 119.951 120.500 -0.002 0.000 2.062 306 R HA -0.042 4.298 4.340 -0.000 0.000 0.229 306 R C 2.561 178.849 176.300 -0.020 0.000 1.128 306 R CA 1.385 57.513 56.100 0.046 0.000 0.960 306 R CB -0.376 29.968 30.300 0.074 0.000 0.855 306 R HN 0.508 nan 8.270 nan 0.000 0.432 307 S N 0.656 116.300 115.700 -0.094 0.000 2.374 307 S HA -0.193 4.277 4.470 -0.000 0.000 0.227 307 S C 1.840 176.341 174.600 -0.164 0.000 1.037 307 S CA 1.320 59.452 58.200 -0.114 0.000 1.024 307 S CB -0.210 62.928 63.200 -0.103 0.000 0.861 307 S HN 0.310 nan 8.310 nan 0.000 0.456 308 R N 0.618 120.911 120.500 -0.345 0.000 2.276 308 R HA 0.022 4.362 4.340 -0.000 0.000 0.203 308 R C 2.152 178.433 176.300 -0.032 0.000 1.017 308 R CA 0.698 56.658 56.100 -0.233 0.000 1.010 308 R CB -0.321 29.739 30.300 -0.400 0.000 0.900 308 R HN 0.441 nan 8.270 nan 0.000 0.469 309 G N -0.220 108.591 108.800 0.019 0.000 2.511 309 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.217 309 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.217 309 G C 1.353 176.416 174.900 0.272 0.000 1.133 309 G CA 0.526 45.723 45.100 0.163 0.000 0.792 309 G HN 0.376 nan 8.290 nan 0.000 0.539 310 A N 0.292 123.204 122.820 0.153 0.000 1.842 310 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 310 A C 1.250 178.960 177.584 0.210 0.000 1.206 310 A CA 1.664 53.772 52.037 0.118 0.000 0.630 310 A CB -0.271 18.728 19.000 -0.000 0.000 0.839 310 A HN 0.326 nan 8.150 nan 0.000 0.447 311 D N -1.926 118.562 120.400 0.146 0.000 2.421 311 D HA 0.269 4.908 4.640 -0.000 0.000 0.254 311 D C 0.604 176.989 176.300 0.142 0.000 1.238 311 D CA -0.519 53.573 54.000 0.152 0.000 0.919 311 D CB 0.636 41.510 40.800 0.124 0.000 1.152 311 D HN 0.100 nan 8.370 nan 0.000 0.552 312 R N 2.582 123.173 120.500 0.151 0.000 2.103 312 R HA -0.154 4.186 4.340 -0.000 0.000 0.242 312 R C 1.887 178.289 176.300 0.170 0.000 1.142 312 R CA 1.011 57.201 56.100 0.150 0.000 0.960 312 R CB -0.331 30.052 30.300 0.139 0.000 0.858 312 R HN 0.533 nan 8.270 nan 0.000 0.439 313 M N 0.439 120.123 119.600 0.141 0.000 2.175 313 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 313 M C 1.970 178.374 176.300 0.173 0.000 1.063 313 M CA 1.518 56.893 55.300 0.126 0.000 1.119 313 M CB 0.121 32.766 32.600 0.076 0.000 1.377 313 M HN -0.001 nan 8.290 nan 0.000 0.415 314 S N -0.437 115.357 115.700 0.156 0.000 2.402 314 S HA -0.067 4.402 4.470 -0.000 0.000 0.229 314 S C 1.790 176.501 174.600 0.185 0.000 1.021 314 S CA 1.387 59.683 58.200 0.160 0.000 0.974 314 S CB -0.112 63.161 63.200 0.121 0.000 0.800 314 S HN 0.465 nan 8.310 nan 0.000 0.484 315 S N 0.664 116.475 115.700 0.186 0.000 2.527 315 S HA 0.211 4.681 4.470 -0.000 0.000 0.222 315 S C 0.363 175.100 174.600 0.228 0.000 0.985 315 S CA -0.275 58.038 58.200 0.188 0.000 0.921 315 S CB -0.195 63.090 63.200 0.143 0.000 0.772 315 S HN 0.544 nan 8.310 nan 0.000 0.529 316 F N 2.898 122.912 119.950 0.107 0.000 2.518 316 F HA 0.392 4.919 4.527 -0.000 0.000 0.375 316 F C 1.220 177.083 175.800 0.104 0.000 1.097 316 F CA 0.554 58.613 58.000 0.100 0.000 1.108 316 F CB -0.476 38.575 39.000 0.085 0.000 1.078 316 F HN 0.227 nan 8.300 nan 0.000 0.564 317 G N 3.800 112.476 108.800 -0.206 0.000 2.131 317 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.223 317 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.223 317 G C -0.146 174.790 174.900 0.060 0.000 0.990 317 G CA -0.028 45.008 45.100 -0.107 0.000 0.671 317 G HN 0.953 nan 8.290 nan 0.000 0.521 318 D N -0.371 120.095 120.400 0.111 0.000 2.371 318 D HA 0.478 5.118 4.640 -0.000 0.000 0.242 318 D C -0.162 176.260 176.300 0.203 0.000 1.218 318 D CA -0.426 53.692 54.000 0.197 0.000 0.945 318 D CB 0.969 41.912 40.800 0.239 0.000 1.137 318 D HN 0.103 nan 8.370 nan 0.000 0.464 319 F N -0.114 119.945 119.950 0.182 0.000 2.469 319 F HA 0.473 5.000 4.527 -0.000 0.000 0.332 319 F C -0.460 175.464 175.800 0.206 0.000 1.103 319 F CA -1.108 56.973 58.000 0.135 0.000 0.979 319 F CB 1.019 40.067 39.000 0.080 0.000 1.137 319 F HN 0.223 nan 8.300 nan 0.000 0.463 320 I N 4.736 125.384 120.570 0.129 0.000 2.437 320 I HA 0.618 4.788 4.170 -0.000 0.000 0.298 320 I C -0.447 175.868 176.117 0.330 0.000 0.984 320 I CA -0.763 60.684 61.300 0.246 0.000 1.214 320 I CB 1.650 39.644 38.000 -0.011 0.000 1.365 320 I HN 0.702 nan 8.210 nan 0.000 0.469 321 A N 7.494 130.512 122.820 0.330 0.000 2.343 321 A HA 0.849 5.169 4.320 -0.000 0.000 0.316 321 A C -0.968 176.756 177.584 0.233 0.000 1.104 321 A CA -0.484 51.733 52.037 0.300 0.000 0.768 321 A CB 0.925 20.074 19.000 0.248 0.000 1.213 321 A HN 0.662 nan 8.150 nan 0.000 0.456 322 L N 2.499 123.857 121.223 0.224 0.000 2.362 322 L HA 0.361 4.701 4.340 -0.000 0.000 0.275 322 L C 1.403 178.356 176.870 0.138 0.000 0.998 322 L CA -0.470 54.453 54.840 0.139 0.000 0.820 322 L CB 2.298 44.396 42.059 0.064 0.000 1.270 322 L HN 0.924 nan 8.230 nan 0.000 0.415 323 S N -0.147 115.558 115.700 0.009 0.000 2.522 323 S HA 0.072 4.542 4.470 -0.000 0.000 0.227 323 S C 0.316 174.925 174.600 0.014 0.000 0.986 323 S CA 0.225 58.363 58.200 -0.103 0.000 0.929 323 S CB -0.040 63.065 63.200 -0.158 0.000 0.769 323 S HN 0.646 nan 8.310 nan 0.000 0.529 324 D N 0.104 120.525 120.400 0.035 0.000 2.559 324 D HA 0.406 5.046 4.640 -0.000 0.000 0.250 324 D C -0.515 175.764 176.300 -0.036 0.000 1.135 324 D CA -0.845 53.167 54.000 0.020 0.000 0.955 324 D CB 1.382 42.187 40.800 0.008 0.000 1.442 324 D HN 0.121 nan 8.370 nan 0.000 0.471 325 I N 1.168 121.708 120.570 -0.051 0.000 2.828 325 I HA -0.134 4.036 4.170 -0.000 0.000 0.292 325 I C 1.125 177.175 176.117 -0.111 0.000 1.206 325 I CA 0.243 61.475 61.300 -0.113 0.000 1.420 325 I CB 0.095 38.063 38.000 -0.054 0.000 1.368 325 I HN 0.198 nan 8.210 nan 0.000 0.556 326 C N 7.536 126.712 119.300 -0.208 0.000 2.633 326 C HA 0.081 4.541 4.460 -0.000 0.000 0.415 326 C C 0.456 175.446 174.990 0.001 0.000 1.393 326 C CA -0.400 58.562 59.018 -0.093 0.000 1.700 326 C CB -1.200 26.500 27.740 -0.067 0.000 2.541 326 C HN 0.900 nan 8.230 nan 0.000 0.603 327 D N 3.593 124.002 120.400 0.015 0.000 2.487 327 D HA 0.337 4.977 4.640 -0.000 0.000 0.262 327 D C 0.741 177.060 176.300 0.032 0.000 1.130 327 D CA -0.724 53.291 54.000 0.025 0.000 1.038 327 D CB 0.601 41.413 40.800 0.020 0.000 1.142 327 D HN 0.216 nan 8.370 nan 0.000 0.575 328 V N -0.141 119.789 119.914 0.027 0.000 2.379 328 V HA -0.046 4.074 4.120 -0.000 0.000 0.245 328 V C -1.024 175.082 176.094 0.020 0.000 1.044 328 V CA 1.467 63.780 62.300 0.022 0.000 1.036 328 V CB -1.427 30.406 31.823 0.016 0.000 0.664 328 V HN 0.551 nan 8.190 nan 0.000 0.453 329 P HA -0.109 nan 4.420 nan 0.000 0.215 329 P C 1.816 179.142 177.300 0.043 0.000 1.153 329 P CA 1.654 64.773 63.100 0.031 0.000 0.853 329 P CB -0.146 31.574 31.700 0.033 0.000 0.788 330 T N -0.575 114.005 114.554 0.044 0.000 2.737 330 T HA -0.129 4.221 4.350 -0.000 0.000 0.265 330 T C 1.908 176.612 174.700 0.007 0.000 1.038 330 T CA 1.653 63.781 62.100 0.045 0.000 1.144 330 T CB -1.032 67.856 68.868 0.034 0.000 0.866 330 T HN 0.023 nan 8.240 nan 0.000 0.434 331 A N 1.803 124.627 122.820 0.006 0.000 1.908 331 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 331 A C 2.265 179.829 177.584 -0.033 0.000 1.181 331 A CA 1.748 53.777 52.037 -0.013 0.000 0.627 331 A CB -0.516 18.491 19.000 0.012 0.000 0.818 331 A HN 0.443 nan 8.150 nan 0.000 0.445 332 K N -0.541 119.853 120.400 -0.009 0.000 2.032 332 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 332 K C 1.878 178.476 176.600 -0.003 0.000 1.048 332 K CA 1.701 57.983 56.287 -0.009 0.000 0.927 332 K CB -0.418 32.087 32.500 0.007 0.000 0.712 332 K HN 0.568 nan 8.250 nan 0.000 0.441 333 I N 0.986 121.574 120.570 0.031 0.000 2.163 333 I HA -0.310 3.860 4.170 -0.000 0.000 0.243 333 I C 2.300 178.447 176.117 0.050 0.000 1.085 333 I CA 1.400 62.745 61.300 0.075 0.000 1.347 333 I CB -0.361 37.741 38.000 0.170 0.000 1.044 333 I HN 0.152 nan 8.210 nan 0.000 0.408 334 I N 0.026 120.581 120.570 -0.026 0.000 2.226 334 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 334 I C 2.791 178.811 176.117 -0.161 0.000 1.100 334 I CA 1.309 62.539 61.300 -0.116 0.000 1.374 334 I CB -0.421 37.432 38.000 -0.246 0.000 1.057 334 I HN 0.220 nan 8.210 nan 0.000 0.413 335 S N 1.388 116.995 115.700 -0.156 0.000 2.387 335 S HA -0.227 4.243 4.470 -0.000 0.000 0.230 335 S C 1.969 176.490 174.600 -0.133 0.000 1.035 335 S CA 1.696 59.790 58.200 -0.177 0.000 1.014 335 S CB -0.253 62.874 63.200 -0.120 0.000 0.836 335 S HN 0.535 nan 8.310 nan 0.000 0.466 336 R N -0.138 120.318 120.500 -0.073 0.000 2.359 336 R HA 0.304 4.644 4.340 -0.000 0.000 0.231 336 R C -0.291 175.991 176.300 -0.030 0.000 0.913 336 R CA -0.137 55.934 56.100 -0.047 0.000 1.075 336 R CB 0.104 30.392 30.300 -0.021 0.000 1.087 336 R HN 0.274 nan 8.270 nan 0.000 0.515 337 E N 1.139 121.315 120.200 -0.040 0.000 2.235 337 E HA 0.253 4.603 4.350 -0.000 0.000 0.265 337 E C -0.784 175.759 176.600 -0.095 0.000 0.940 337 E CA -1.129 55.263 56.400 -0.014 0.000 0.819 337 E CB 2.771 32.513 29.700 0.070 0.000 1.206 337 E HN -0.141 nan 8.360 nan 0.000 0.409 338 V N 1.942 121.768 119.914 -0.146 0.000 2.372 338 V HA 0.185 4.305 4.120 -0.000 0.000 0.261 338 V C 0.351 176.272 176.094 -0.289 0.000 1.055 338 V CA 0.237 62.339 62.300 -0.331 0.000 0.930 338 V CB 0.592 31.947 31.823 -0.781 0.000 1.031 338 V HN 0.516 nan 8.190 nan 0.000 0.479 339 S N 2.771 118.383 115.700 -0.147 0.000 2.632 339 S HA 0.523 4.993 4.470 -0.000 0.000 0.289 339 S C 0.052 174.719 174.600 0.112 0.000 1.115 339 S CA -0.652 57.547 58.200 -0.003 0.000 0.889 339 S CB 2.112 65.355 63.200 0.072 0.000 1.116 339 S HN 0.692 nan 8.310 nan 0.000 0.486 340 D N 0.721 121.147 120.400 0.042 0.000 2.423 340 D HA 0.376 5.016 4.640 -0.000 0.000 0.208 340 D C 0.602 176.627 176.300 -0.458 0.000 1.068 340 D CA 0.835 54.811 54.000 -0.039 0.000 0.860 340 D CB 0.950 41.761 40.800 0.019 0.000 0.992 340 D HN 0.729 nan 8.370 nan 0.000 0.504 341 G N -0.524 107.728 108.800 -0.913 0.000 2.338 341 G HA2 0.427 4.387 3.960 -0.000 0.000 0.295 341 G HA3 0.427 4.387 3.960 -0.000 0.000 0.295 341 G C -2.112 171.696 174.900 -1.820 0.000 1.461 341 G CA -0.365 43.665 45.100 -1.784 0.000 0.817 341 G HN 0.050 nan 8.290 nan 0.000 0.556 342 V N -0.869 118.330 119.914 -1.192 0.000 3.147 342 V HA 0.873 4.993 4.120 -0.000 0.000 0.306 342 V C -1.272 174.913 176.094 0.151 0.000 1.209 342 V CA -0.599 61.483 62.300 -0.363 0.000 1.023 342 V CB 2.020 33.819 31.823 -0.040 0.000 1.059 342 V HN 1.726 nan 8.190 nan 0.000 0.435 343 V N 5.064 125.184 119.914 0.344 0.000 2.638 343 V HA 1.037 5.157 4.120 -0.000 0.000 0.306 343 V C -0.298 175.920 176.094 0.206 0.000 1.052 343 V CA 0.494 62.964 62.300 0.283 0.000 0.885 343 V CB 1.421 33.377 31.823 0.223 0.000 0.999 343 V HN 1.918 nan 8.190 nan 0.000 0.424 344 A N 6.905 129.754 122.820 0.048 0.000 2.602 344 A HA 0.895 5.215 4.320 -0.000 0.000 0.290 344 A C -2.725 174.731 177.584 -0.213 0.000 1.114 344 A CA -0.720 51.269 52.037 -0.081 0.000 0.683 344 A CB 1.777 20.498 19.000 -0.465 0.000 1.281 344 A HN 0.548 nan 8.150 nan 0.000 0.416 345 P HA 0.192 nan 4.420 nan 0.000 0.229 345 P C 0.702 177.934 177.300 -0.114 0.000 1.160 345 P CA 1.594 64.647 63.100 -0.078 0.000 0.777 345 P CB 0.487 32.261 31.700 0.124 0.000 0.814 346 G N -1.420 107.224 108.800 -0.261 0.000 2.368 346 G HA2 0.474 4.433 3.960 -0.000 0.000 0.293 346 G HA3 0.474 4.433 3.960 -0.000 0.000 0.293 346 G C -2.354 172.285 174.900 -0.436 0.000 1.467 346 G CA -0.636 44.359 45.100 -0.174 0.000 0.804 346 G HN -0.110 nan 8.290 nan 0.000 0.535 347 Y N -0.165 120.137 120.300 0.003 0.000 2.457 347 Y HA 0.550 5.100 4.550 -0.000 0.000 0.343 347 Y C 0.287 176.188 175.900 0.003 0.000 0.994 347 Y CA -0.978 57.125 58.100 0.004 0.000 1.031 347 Y CB 2.128 40.587 38.460 -0.002 0.000 1.246 347 Y HN 0.577 nan 8.280 nan 0.000 0.449 348 E N 2.868 123.151 120.200 0.138 0.000 2.373 348 E HA -0.016 4.334 4.350 -0.000 0.000 0.267 348 E C 0.868 177.520 176.600 0.086 0.000 1.032 348 E CA -0.143 56.306 56.400 0.083 0.000 0.889 348 E CB 0.764 30.496 29.700 0.053 0.000 0.984 348 E HN 0.726 nan 8.360 nan 0.000 0.425 349 E N 3.871 124.104 120.200 0.056 0.000 2.219 349 E HA -0.296 4.054 4.350 -0.000 0.000 0.198 349 E C 0.946 177.562 176.600 0.026 0.000 0.998 349 E CA 1.328 57.750 56.400 0.037 0.000 0.818 349 E CB 0.092 29.805 29.700 0.022 0.000 0.741 349 E HN 0.480 nan 8.360 nan 0.000 0.477 350 E N 0.956 121.173 120.200 0.028 0.000 2.046 350 E HA 0.003 4.353 4.350 -0.000 0.000 0.190 350 E C 2.069 178.682 176.600 0.021 0.000 0.982 350 E CA 1.301 57.711 56.400 0.018 0.000 0.800 350 E CB -0.229 29.480 29.700 0.016 0.000 0.756 350 E HN 0.379 nan 8.360 nan 0.000 0.449 351 A N 1.148 123.995 122.820 0.044 0.000 1.933 351 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 351 A C 2.203 179.818 177.584 0.051 0.000 1.175 351 A CA 1.210 53.282 52.037 0.058 0.000 0.628 351 A CB -0.556 18.505 19.000 0.101 0.000 0.814 351 A HN 0.276 nan 8.150 nan 0.000 0.444 352 L N -0.340 120.913 121.223 0.049 0.000 2.141 352 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 352 L C 2.024 178.868 176.870 -0.044 0.000 1.094 352 L CA 2.021 56.842 54.840 -0.032 0.000 0.763 352 L CB -0.452 41.580 42.059 -0.044 0.000 0.908 352 L HN 0.337 nan 8.230 nan 0.000 0.437 353 K N -0.783 119.604 120.400 -0.021 0.000 2.155 353 K HA -0.023 4.297 4.320 -0.000 0.000 0.203 353 K C 2.042 178.621 176.600 -0.034 0.000 1.052 353 K CA 1.310 57.581 56.287 -0.027 0.000 0.948 353 K CB -0.053 32.437 32.500 -0.016 0.000 0.728 353 K HN 0.338 nan 8.250 nan 0.000 0.448 354 I N 0.886 121.437 120.570 -0.032 0.000 2.193 354 I HA -0.260 3.910 4.170 -0.000 0.000 0.240 354 I C 2.091 178.158 176.117 -0.083 0.000 1.084 354 I CA 1.159 62.429 61.300 -0.050 0.000 1.365 354 I CB -0.234 37.742 38.000 -0.040 0.000 1.064 354 I HN 0.095 nan 8.210 nan 0.000 0.410 355 L N 0.108 121.286 121.223 -0.075 0.000 2.012 355 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 355 L C 2.458 179.294 176.870 -0.057 0.000 1.073 355 L CA 1.332 56.113 54.840 -0.098 0.000 0.748 355 L CB -0.682 41.375 42.059 -0.003 0.000 0.891 355 L HN 0.144 nan 8.230 nan 0.000 0.431 356 S N -0.691 114.989 115.700 -0.034 0.000 2.584 356 S HA -0.113 4.357 4.470 -0.000 0.000 0.240 356 S C 1.695 176.281 174.600 -0.024 0.000 0.975 356 S CA 0.910 59.100 58.200 -0.016 0.000 0.949 356 S CB -0.172 63.002 63.200 -0.042 0.000 0.761 356 S HN 0.372 nan 8.310 nan 0.000 0.536 357 K N 0.785 121.151 120.400 -0.056 0.000 2.308 357 K HA 0.127 4.447 4.320 -0.000 0.000 0.197 357 K C 0.284 176.839 176.600 -0.074 0.000 1.049 357 K CA 0.236 56.489 56.287 -0.057 0.000 0.991 357 K CB 0.206 32.669 32.500 -0.062 0.000 0.836 357 K HN 0.222 nan 8.250 nan 0.000 0.500 358 K N 1.950 122.266 120.400 -0.141 0.000 2.524 358 K HA -0.043 4.277 4.320 -0.000 0.000 0.279 358 K C -0.362 176.205 176.600 -0.056 0.000 0.993 358 K CA 0.657 56.825 56.287 -0.198 0.000 1.030 358 K CB 0.267 32.424 32.500 -0.570 0.000 0.891 358 K HN 0.041 nan 8.250 nan 0.000 0.488 359 K N 2.405 122.778 120.400 -0.046 0.000 3.239 359 K HA -0.267 4.053 4.320 -0.000 0.000 0.270 359 K C -0.486 176.120 176.600 0.010 0.000 1.049 359 K CA 0.562 56.852 56.287 0.005 0.000 0.769 359 K CB -1.485 31.050 32.500 0.058 0.000 1.305 359 K HN 0.878 nan 8.250 nan 0.000 0.469 360 N N -1.048 117.647 118.700 -0.007 0.000 2.681 360 N HA -0.249 4.491 4.740 -0.000 0.000 0.250 360 N C 0.688 176.199 175.510 0.000 0.000 1.133 360 N CA 2.375 55.423 53.050 -0.004 0.000 0.732 360 N CB -0.825 37.664 38.487 0.004 0.000 1.107 360 N HN 0.957 nan 8.380 nan 0.000 0.559 361 G N -3.285 105.517 108.800 0.003 0.000 2.176 361 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.232 361 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.232 361 G C 0.744 175.655 174.900 0.019 0.000 0.986 361 G CA 0.326 45.430 45.100 0.006 0.000 0.643 361 G HN 0.867 nan 8.290 nan 0.000 0.522 362 G N -0.626 108.195 108.800 0.034 0.000 3.126 362 G HA2 0.372 4.332 3.960 -0.000 0.000 0.224 362 G HA3 0.372 4.332 3.960 -0.000 0.000 0.224 362 G C 0.478 175.405 174.900 0.045 0.000 1.142 362 G CA 0.129 45.246 45.100 0.028 0.000 0.759 362 G HN 0.643 nan 8.290 nan 0.000 0.550 363 Y N 1.229 121.484 120.300 -0.075 0.000 2.802 363 Y HA 0.151 4.701 4.550 -0.000 0.000 0.333 363 Y C 0.873 176.706 175.900 -0.112 0.000 1.244 363 Y CA -1.314 56.724 58.100 -0.103 0.000 1.558 363 Y CB 0.066 38.452 38.460 -0.124 0.000 1.233 363 Y HN 0.057 nan 8.280 nan 0.000 0.547 364 C N 7.876 126.853 119.300 -0.538 0.000 2.627 364 C HA 0.509 4.969 4.460 -0.000 0.000 0.404 364 C C -0.470 174.172 174.990 -0.579 0.000 1.340 364 C CA -0.559 58.210 59.018 -0.416 0.000 1.758 364 C CB -2.047 25.563 27.740 -0.216 0.000 2.501 364 C HN 0.616 nan 8.230 nan 0.000 0.588 365 V N 8.574 128.296 119.914 -0.321 0.000 2.443 365 V HA 0.494 4.614 4.120 -0.000 0.000 0.293 365 V C -0.144 175.852 176.094 -0.164 0.000 1.021 365 V CA -0.315 61.809 62.300 -0.293 0.000 0.848 365 V CB 1.235 32.836 31.823 -0.369 0.000 0.998 365 V HN 0.771 nan 8.190 nan 0.000 0.424 366 L N 3.686 124.900 121.223 -0.015 0.000 2.341 366 L HA 0.711 5.051 4.340 -0.000 0.000 0.267 366 L C -0.441 176.490 176.870 0.102 0.000 1.009 366 L CA -0.631 54.215 54.840 0.010 0.000 0.819 366 L CB 2.126 44.188 42.059 0.004 0.000 1.323 366 L HN 0.598 nan 8.230 nan 0.000 0.425 367 Q N 2.093 121.898 119.800 0.009 0.000 2.333 367 Q HA 0.597 4.937 4.340 -0.000 0.000 0.267 367 Q C -1.377 174.488 176.000 -0.225 0.000 1.012 367 Q CA -0.813 54.985 55.803 -0.009 0.000 0.824 367 Q CB 2.263 31.034 28.738 0.055 0.000 1.290 367 Q HN 0.568 nan 8.270 nan 0.000 0.449 368 M N 3.433 122.777 119.600 -0.428 0.000 2.294 368 M HA 0.286 4.766 4.480 -0.000 0.000 0.335 368 M C -1.275 174.736 176.300 -0.482 0.000 1.079 368 M CA -0.586 54.312 55.300 -0.670 0.000 0.982 368 M CB 1.585 33.317 32.600 -1.446 0.000 1.651 368 M HN 0.519 nan 8.290 nan 0.000 0.437 369 D N 6.388 126.612 120.400 -0.294 0.000 2.382 369 D HA 0.142 4.782 4.640 -0.000 0.000 0.259 369 D C -1.721 174.595 176.300 0.026 0.000 1.224 369 D CA -1.421 52.526 54.000 -0.088 0.000 0.894 369 D CB 1.249 42.047 40.800 -0.003 0.000 1.127 369 D HN 0.439 nan 8.370 nan 0.000 0.487 370 P HA -0.087 nan 4.420 nan 0.000 0.226 370 P C 0.443 177.886 177.300 0.239 0.000 1.153 370 P CA 0.604 63.891 63.100 0.311 0.000 0.777 370 P CB 0.485 32.337 31.700 0.253 0.000 0.794 371 N N -1.184 117.615 118.700 0.164 0.000 2.392 371 N HA -0.061 4.679 4.740 -0.000 0.000 0.177 371 N C 0.712 176.301 175.510 0.132 0.000 1.066 371 N CA -0.076 53.046 53.050 0.121 0.000 0.895 371 N CB -0.438 38.095 38.487 0.076 0.000 0.988 371 N HN 0.251 nan 8.380 nan 0.000 0.457 372 Y N 2.816 123.148 120.300 0.053 0.000 2.702 372 Y HA -0.040 4.510 4.550 -0.000 0.000 0.336 372 Y C -0.067 175.870 175.900 0.062 0.000 1.235 372 Y CA 0.337 58.460 58.100 0.039 0.000 1.492 372 Y CB 0.474 38.938 38.460 0.007 0.000 1.308 372 Y HN -0.117 nan 8.280 nan 0.000 0.589 373 E N 7.872 127.607 120.200 -0.774 0.000 2.256 373 E HA 0.307 4.657 4.350 -0.000 0.000 0.268 373 E C -2.699 173.390 176.600 -0.852 0.000 0.877 373 E CA -2.073 54.008 56.400 -0.533 0.000 0.757 373 E CB 1.749 31.304 29.700 -0.243 0.000 1.183 373 E HN 0.493 nan 8.360 nan 0.000 0.418 374 P HA 0.219 nan 4.420 nan 0.000 0.281 374 P C -0.397 176.853 177.300 -0.084 0.000 1.249 374 P CA -0.492 62.524 63.100 -0.140 0.000 0.810 374 P CB 1.103 32.903 31.700 0.165 0.000 1.008 375 D N 1.269 121.652 120.400 -0.028 0.000 2.378 375 D HA -0.023 4.617 4.640 -0.000 0.000 0.238 375 D C 1.032 177.335 176.300 0.006 0.000 1.180 375 D CA 0.143 54.134 54.000 -0.015 0.000 0.895 375 D CB 0.379 41.186 40.800 0.010 0.000 1.192 375 D HN 0.313 nan 8.370 nan 0.000 0.438 376 D N -0.024 120.377 120.400 0.002 0.000 2.097 376 D HA -0.091 4.549 4.640 -0.000 0.000 0.195 376 D C 0.294 176.607 176.300 0.022 0.000 0.989 376 D CA 1.141 55.147 54.000 0.009 0.000 0.827 376 D CB 0.098 40.900 40.800 0.003 0.000 0.966 376 D HN 0.312 nan 8.370 nan 0.000 0.456 377 N N 1.231 119.945 118.700 0.023 0.000 2.487 377 N HA 0.252 4.992 4.740 -0.000 0.000 0.292 377 N C -0.291 175.241 175.510 0.038 0.000 1.108 377 N CA -0.190 52.878 53.050 0.030 0.000 0.956 377 N CB 1.709 40.212 38.487 0.025 0.000 1.176 377 N HN 0.239 nan 8.380 nan 0.000 0.484 378 E N 0.450 120.676 120.200 0.042 0.000 2.343 378 E HA 0.603 4.953 4.350 -0.000 0.000 0.270 378 E C -0.812 175.814 176.600 0.044 0.000 0.895 378 E CA -0.902 55.525 56.400 0.045 0.000 0.767 378 E CB 2.590 32.324 29.700 0.056 0.000 1.248 378 E HN 0.305 nan 8.360 nan 0.000 0.440 379 I N 1.272 121.867 120.570 0.042 0.000 2.686 379 I HA 0.480 4.650 4.170 -0.000 0.000 0.295 379 I C -1.456 174.688 176.117 0.045 0.000 1.114 379 I CA -0.730 60.596 61.300 0.043 0.000 1.038 379 I CB 1.879 39.904 38.000 0.042 0.000 1.238 379 I HN 0.884 nan 8.210 nan 0.000 0.420 380 R N 3.816 124.347 120.500 0.050 0.000 2.837 380 R HA 0.729 5.069 4.340 -0.000 0.000 0.271 380 R C -1.431 174.903 176.300 0.056 0.000 0.993 380 R CA -0.731 55.402 56.100 0.056 0.000 0.931 380 R CB 1.681 32.018 30.300 0.062 0.000 1.206 380 R HN 0.528 nan 8.270 nan 0.000 0.474 381 T N 2.567 117.157 114.554 0.061 0.000 2.771 381 T HA 0.391 4.741 4.350 -0.000 0.000 0.281 381 T C -1.185 173.553 174.700 0.064 0.000 0.982 381 T CA -0.556 61.578 62.100 0.057 0.000 0.978 381 T CB 0.967 69.869 68.868 0.055 0.000 0.930 381 T HN 0.362 nan 8.240 nan 0.000 0.447 382 L N 5.274 126.539 121.223 0.071 0.000 2.406 382 L HA 0.438 4.778 4.340 -0.000 0.000 0.270 382 L C -0.614 176.355 176.870 0.166 0.000 0.982 382 L CA -0.863 54.033 54.840 0.094 0.000 0.843 382 L CB 0.298 42.399 42.059 0.070 0.000 1.225 382 L HN 0.735 nan 8.230 nan 0.000 0.412 383 Y N 5.654 125.954 120.300 0.000 0.000 3.078 383 Y HA -0.145 4.405 4.550 -0.000 0.000 0.202 383 Y C 1.321 177.223 175.900 0.003 0.000 1.322 383 Y CA 1.434 59.534 58.100 -0.001 0.000 1.118 383 Y CB -1.035 37.422 38.460 -0.005 0.000 1.343 383 Y HN 1.131 nan 8.280 nan 0.000 0.499 384 G N -0.516 108.268 108.800 -0.025 0.000 2.245 384 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.264 384 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.264 384 G C 0.410 175.285 174.900 -0.041 0.000 0.985 384 G CA 0.398 45.447 45.100 -0.085 0.000 0.625 384 G HN 0.695 nan 8.290 nan 0.000 0.536 385 L N 0.003 121.224 121.223 -0.002 0.000 2.448 385 L HA 0.631 4.971 4.340 -0.000 0.000 0.258 385 L C 0.335 177.224 176.870 0.031 0.000 1.104 385 L CA -1.061 53.787 54.840 0.014 0.000 0.800 385 L CB 0.803 42.881 42.059 0.031 0.000 1.241 385 L HN 0.016 nan 8.230 nan 0.000 0.472 386 Q N 1.924 121.742 119.800 0.030 0.000 2.312 386 Q HA 0.567 4.907 4.340 -0.000 0.000 0.263 386 Q C -1.106 174.916 176.000 0.038 0.000 0.995 386 Q CA -0.331 55.493 55.803 0.036 0.000 0.853 386 Q CB 2.618 31.376 28.738 0.035 0.000 1.300 386 Q HN 0.462 nan 8.270 nan 0.000 0.448 387 L N 2.970 124.219 121.223 0.042 0.000 2.319 387 L HA 0.558 4.898 4.340 -0.000 0.000 0.281 387 L C -0.428 176.468 176.870 0.043 0.000 1.005 387 L CA -0.325 54.541 54.840 0.042 0.000 0.828 387 L CB 1.543 43.630 42.059 0.045 0.000 1.227 387 L HN 0.451 nan 8.230 nan 0.000 0.415 388 M N 4.781 124.404 119.600 0.039 0.000 2.528 388 M HA 0.521 5.001 4.480 -0.000 0.000 0.321 388 M C -1.096 175.227 176.300 0.038 0.000 1.153 388 M CA -0.189 55.133 55.300 0.038 0.000 0.951 388 M CB 2.081 34.701 32.600 0.033 0.000 1.705 388 M HN 0.712 nan 8.290 nan 0.000 0.451 389 Q N 2.696 122.520 119.800 0.039 0.000 2.687 389 Q HA 0.400 4.740 4.340 -0.000 0.000 0.295 389 Q C -1.944 174.078 176.000 0.036 0.000 0.920 389 Q CA -1.203 54.623 55.803 0.038 0.000 0.766 389 Q CB 1.619 30.385 28.738 0.047 0.000 1.467 389 Q HN 0.693 nan 8.270 nan 0.000 0.415 390 K N 1.389 121.807 120.400 0.030 0.000 2.218 390 K HA 0.239 4.559 4.320 -0.000 0.000 0.276 390 K C 0.054 176.674 176.600 0.034 0.000 1.022 390 K CA -0.471 55.831 56.287 0.026 0.000 0.946 390 K CB 0.831 33.340 32.500 0.016 0.000 1.000 390 K HN 0.722 nan 8.250 nan 0.000 0.468 391 R N 2.147 122.669 120.500 0.038 0.000 2.738 391 R HA 0.049 4.389 4.340 -0.000 0.000 0.275 391 R C -0.119 176.200 176.300 0.033 0.000 1.121 391 R CA -0.533 55.597 56.100 0.050 0.000 1.207 391 R CB 0.160 30.497 30.300 0.061 0.000 1.141 391 R HN 0.454 nan 8.270 nan 0.000 0.571 392 N N 0.895 119.614 118.700 0.031 0.000 2.439 392 N HA 0.034 4.774 4.740 -0.000 0.000 0.243 392 N C -1.016 174.488 175.510 -0.010 0.000 1.088 392 N CA -0.140 52.905 53.050 -0.008 0.000 0.940 392 N CB 0.357 38.814 38.487 -0.050 0.000 1.180 392 N HN 0.497 nan 8.380 nan 0.000 0.505 393 N N 1.285 119.978 118.700 -0.012 0.000 2.234 393 N HA 0.130 4.870 4.740 -0.000 0.000 0.227 393 N C -0.366 175.127 175.510 -0.027 0.000 1.151 393 N CA -0.228 52.818 53.050 -0.007 0.000 0.865 393 N CB 0.581 39.067 38.487 -0.002 0.000 1.066 393 N HN 0.504 nan 8.380 nan 0.000 0.515 394 A N 0.836 123.626 122.820 -0.049 0.000 2.520 394 A HA 0.280 4.600 4.320 -0.000 0.000 0.245 394 A C 0.720 178.265 177.584 -0.066 0.000 1.072 394 A CA -0.298 51.700 52.037 -0.065 0.000 0.761 394 A CB 0.017 18.965 19.000 -0.087 0.000 1.004 394 A HN 0.116 nan 8.150 nan 0.000 0.499 395 V N 1.814 121.688 119.914 -0.066 0.000 2.567 395 V HA 0.667 4.787 4.120 -0.000 0.000 0.289 395 V C -0.040 175.996 176.094 -0.096 0.000 1.049 395 V CA -0.629 61.633 62.300 -0.064 0.000 0.969 395 V CB 1.013 32.803 31.823 -0.055 0.000 0.995 395 V HN 0.599 nan 8.190 nan 0.000 0.471 396 I N 5.351 125.870 120.570 -0.086 0.000 2.359 396 I HA 0.553 4.723 4.170 -0.000 0.000 0.284 396 I C -0.738 175.319 176.117 -0.100 0.000 1.018 396 I CA -0.115 61.112 61.300 -0.122 0.000 1.173 396 I CB 1.080 39.035 38.000 -0.074 0.000 1.326 396 I HN 1.039 nan 8.210 nan 0.000 0.462 397 D N 4.378 124.685 120.400 -0.154 0.000 2.752 397 D HA 0.314 4.954 4.640 -0.000 0.000 0.313 397 D C 0.614 176.844 176.300 -0.116 0.000 1.225 397 D CA -0.874 53.077 54.000 -0.082 0.000 0.976 397 D CB 0.781 41.548 40.800 -0.054 0.000 1.443 397 D HN 0.137 nan 8.370 nan 0.000 0.515 398 R N -0.282 120.226 120.500 0.014 0.000 2.170 398 R HA -0.129 4.211 4.340 -0.000 0.000 0.242 398 R C 1.883 178.192 176.300 0.014 0.000 1.145 398 R CA 1.834 57.996 56.100 0.103 0.000 0.984 398 R CB -0.517 29.837 30.300 0.090 0.000 0.869 398 R HN 0.623 nan 8.270 nan 0.000 0.455 399 S N 1.002 116.660 115.700 -0.070 0.000 2.423 399 S HA -0.109 4.361 4.470 -0.000 0.000 0.231 399 S C 1.931 176.433 174.600 -0.163 0.000 1.014 399 S CA 0.727 58.879 58.200 -0.081 0.000 0.965 399 S CB -0.168 62.987 63.200 -0.075 0.000 0.785 399 S HN 0.259 nan 8.310 nan 0.000 0.495 400 L N 0.360 121.373 121.223 -0.350 0.000 2.265 400 L HA 0.227 4.567 4.340 -0.000 0.000 0.215 400 L C 0.757 177.309 176.870 -0.530 0.000 1.117 400 L CA 1.443 55.969 54.840 -0.523 0.000 0.782 400 L CB -0.751 40.826 42.059 -0.804 0.000 0.914 400 L HN 0.349 nan 8.230 nan 0.000 0.441 401 F N -1.048 118.888 119.950 -0.024 0.000 2.668 401 F HA 0.260 4.787 4.527 -0.000 0.000 0.297 401 F C 1.606 177.394 175.800 -0.020 0.000 1.124 401 F CA -0.275 57.711 58.000 -0.023 0.000 1.353 401 F CB -0.646 38.334 39.000 -0.033 0.000 0.992 401 F HN -0.056 nan 8.300 nan 0.000 0.524 402 K N 0.202 120.649 120.400 0.078 0.000 2.551 402 K HA -0.037 4.283 4.320 -0.000 0.000 0.192 402 K C 0.417 177.043 176.600 0.044 0.000 1.027 402 K CA 0.213 56.531 56.287 0.052 0.000 1.059 402 K CB -0.201 32.308 32.500 0.015 0.000 0.831 402 K HN 0.051 nan 8.250 nan 0.000 0.508 403 N N 1.339 120.075 118.700 0.059 0.000 2.918 403 N HA 0.165 4.905 4.740 -0.000 0.000 0.270 403 N C -1.123 174.418 175.510 0.052 0.000 1.536 403 N CA -0.274 52.804 53.050 0.048 0.000 0.877 403 N CB 0.287 38.802 38.487 0.046 0.000 1.190 403 N HN -0.019 nan 8.380 nan 0.000 0.492 404 I N 2.446 123.040 120.570 0.040 0.000 2.329 404 I HA 0.006 4.175 4.170 -0.000 0.000 0.295 404 I C 1.513 177.627 176.117 -0.004 0.000 1.109 404 I CA -0.373 60.940 61.300 0.021 0.000 1.297 404 I CB 0.820 38.834 38.000 0.023 0.000 1.433 404 I HN 0.320 nan 8.210 nan 0.000 0.509 405 V N 2.165 122.054 119.914 -0.042 0.000 3.573 405 V HA 0.021 4.141 4.120 -0.000 0.000 0.270 405 V C 1.032 177.096 176.094 -0.050 0.000 1.221 405 V CA 0.224 62.494 62.300 -0.049 0.000 1.163 405 V CB -0.920 30.855 31.823 -0.080 0.000 0.847 405 V HN 0.757 nan 8.190 nan 0.000 0.468 406 T N -2.242 112.284 114.554 -0.047 0.000 2.882 406 T HA 0.392 4.742 4.350 -0.000 0.000 0.287 406 T C 0.772 175.463 174.700 -0.015 0.000 0.992 406 T CA -0.477 61.604 62.100 -0.033 0.000 1.076 406 T CB 1.891 70.740 68.868 -0.032 0.000 0.961 406 T HN 0.330 nan 8.240 nan 0.000 0.490 407 K N 1.740 122.132 120.400 -0.012 0.000 2.000 407 K HA -0.210 4.110 4.320 -0.000 0.000 0.218 407 K C 1.092 177.690 176.600 -0.003 0.000 1.053 407 K CA 1.843 58.126 56.287 -0.007 0.000 0.946 407 K CB -0.496 32.000 32.500 -0.007 0.000 0.723 407 K HN 0.761 nan 8.250 nan 0.000 0.446 408 N N 1.615 120.312 118.700 -0.004 0.000 2.447 408 N HA -0.082 4.658 4.740 -0.000 0.000 0.263 408 N C -0.595 174.923 175.510 0.013 0.000 1.226 408 N CA 0.548 53.599 53.050 0.003 0.000 0.906 408 N CB 0.520 39.005 38.487 -0.003 0.000 1.060 408 N HN 0.059 nan 8.380 nan 0.000 0.468 409 K N 1.747 122.159 120.400 0.020 0.000 2.646 409 K HA 0.128 4.448 4.320 -0.000 0.000 0.206 409 K C -0.499 176.126 176.600 0.042 0.000 1.069 409 K CA -0.377 55.926 56.287 0.028 0.000 1.067 409 K CB 0.352 32.861 32.500 0.015 0.000 0.807 409 K HN 0.510 nan 8.250 nan 0.000 0.482 410 T N 2.011 116.607 114.554 0.070 0.000 2.871 410 T HA 0.064 4.414 4.350 -0.000 0.000 0.296 410 T C -0.205 174.574 174.700 0.132 0.000 0.998 410 T CA 0.274 62.435 62.100 0.103 0.000 1.162 410 T CB 0.416 69.372 68.868 0.146 0.000 0.947 410 T HN 0.074 nan 8.240 nan 0.000 0.536 411 L N 6.584 127.795 121.223 -0.021 0.000 2.367 411 L HA 0.330 4.670 4.340 -0.000 0.000 0.263 411 L C -2.403 174.294 176.870 -0.290 0.000 1.473 411 L CA -1.553 53.139 54.840 -0.245 0.000 0.807 411 L CB 0.754 42.699 42.059 -0.189 0.000 0.968 411 L HN 0.395 nan 8.230 nan 0.000 0.520 412 P HA 0.134 nan 4.420 nan 0.000 0.270 412 P C 0.478 177.624 177.300 -0.257 0.000 1.223 412 P CA -0.027 62.942 63.100 -0.218 0.000 0.785 412 P CB 1.065 32.674 31.700 -0.153 0.000 0.923 413 E N 0.956 121.062 120.200 -0.157 0.000 2.065 413 E HA -0.200 4.150 4.350 -0.000 0.000 0.201 413 E C 1.983 178.488 176.600 -0.159 0.000 1.016 413 E CA 2.243 58.564 56.400 -0.133 0.000 0.818 413 E CB -0.838 28.817 29.700 -0.074 0.000 0.749 413 E HN 0.659 nan 8.360 nan 0.000 0.453 414 S N 0.914 116.529 115.700 -0.142 0.000 2.402 414 S HA -0.158 4.311 4.470 -0.000 0.000 0.233 414 S C 2.186 176.665 174.600 -0.203 0.000 1.030 414 S CA 1.460 59.586 58.200 -0.123 0.000 1.003 414 S CB -0.291 62.867 63.200 -0.071 0.000 0.813 414 S HN 0.316 nan 8.310 nan 0.000 0.477 415 A N 1.160 123.750 122.820 -0.383 0.000 1.968 415 A HA 0.193 4.513 4.320 -0.000 0.000 0.217 415 A C 2.384 179.661 177.584 -0.512 0.000 1.169 415 A CA 1.230 52.895 52.037 -0.620 0.000 0.638 415 A CB -0.856 17.276 19.000 -1.446 0.000 0.812 415 A HN 0.448 nan 8.150 nan 0.000 0.446 416 V N 0.289 119.946 119.914 -0.427 0.000 2.307 416 V HA -0.237 3.882 4.120 -0.000 0.000 0.245 416 V C 2.660 178.625 176.094 -0.216 0.000 1.045 416 V CA 2.218 64.283 62.300 -0.391 0.000 1.024 416 V CB -0.789 30.915 31.823 -0.198 0.000 0.651 416 V HN 0.680 nan 8.190 nan 0.000 0.449 417 R N 0.162 120.583 120.500 -0.132 0.000 2.070 417 R HA -0.200 4.139 4.340 -0.000 0.000 0.233 417 R C 2.042 178.315 176.300 -0.046 0.000 1.137 417 R CA 2.251 58.320 56.100 -0.051 0.000 0.945 417 R CB -0.483 29.793 30.300 -0.040 0.000 0.845 417 R HN 0.458 nan 8.270 nan 0.000 0.430 418 D N 0.688 121.037 120.400 -0.086 0.000 2.149 418 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 418 D C 2.011 178.283 176.300 -0.045 0.000 0.990 418 D CA 1.098 55.065 54.000 -0.056 0.000 0.839 418 D CB -0.139 40.628 40.800 -0.054 0.000 0.948 418 D HN 0.265 nan 8.370 nan 0.000 0.460 419 L N 0.116 121.265 121.223 -0.124 0.000 2.027 419 L HA -0.096 4.244 4.340 -0.000 0.000 0.206 419 L C 2.492 179.460 176.870 0.163 0.000 1.074 419 L CA 0.606 55.401 54.840 -0.074 0.000 0.745 419 L CB -0.242 41.524 42.059 -0.488 0.000 0.898 419 L HN 0.032 nan 8.230 nan 0.000 0.433 420 I N -0.791 119.906 120.570 0.211 0.000 2.163 420 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 420 I C 2.468 178.659 176.117 0.123 0.000 1.085 420 I CA 1.293 62.739 61.300 0.244 0.000 1.347 420 I CB -0.228 37.888 38.000 0.193 0.000 1.044 420 I HN 0.027 nan 8.210 nan 0.000 0.408 421 V N 0.935 120.894 119.914 0.076 0.000 2.287 421 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 421 V C 2.664 178.794 176.094 0.059 0.000 1.053 421 V CA 2.124 64.457 62.300 0.055 0.000 1.027 421 V CB -1.023 30.817 31.823 0.029 0.000 0.646 421 V HN 0.527 nan 8.190 nan 0.000 0.447 422 A N -0.762 122.091 122.820 0.055 0.000 1.933 422 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 422 A C 2.473 180.095 177.584 0.063 0.000 1.175 422 A CA 2.223 54.291 52.037 0.051 0.000 0.628 422 A CB -0.580 18.442 19.000 0.037 0.000 0.814 422 A HN 0.513 nan 8.150 nan 0.000 0.444 423 S N -0.282 115.470 115.700 0.087 0.000 2.357 423 S HA -0.039 4.431 4.470 -0.000 0.000 0.221 423 S C 1.784 176.408 174.600 0.040 0.000 1.031 423 S CA 1.284 59.523 58.200 0.065 0.000 0.982 423 S CB -0.433 62.819 63.200 0.086 0.000 0.853 423 S HN 0.536 nan 8.310 nan 0.000 0.458 424 I N 1.730 122.339 120.570 0.064 0.000 2.361 424 I HA -0.211 3.959 4.170 -0.000 0.000 0.251 424 I C 2.547 178.755 176.117 0.152 0.000 1.133 424 I CA 0.945 62.300 61.300 0.093 0.000 1.413 424 I CB -0.369 37.695 38.000 0.107 0.000 1.073 424 I HN 0.258 nan 8.210 nan 0.000 0.424 425 A N 0.299 123.190 122.820 0.118 0.000 1.873 425 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 425 A C 2.429 180.078 177.584 0.109 0.000 1.186 425 A CA 1.393 53.508 52.037 0.131 0.000 0.616 425 A CB -0.891 18.156 19.000 0.078 0.000 0.823 425 A HN 0.198 nan 8.150 nan 0.000 0.442 426 V N 0.528 120.479 119.914 0.061 0.000 2.332 426 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 426 V C 2.538 178.623 176.094 -0.016 0.000 1.055 426 V CA 2.399 64.722 62.300 0.037 0.000 1.038 426 V CB -0.656 31.182 31.823 0.025 0.000 0.651 426 V HN 0.694 nan 8.190 nan 0.000 0.450 427 K N -0.808 119.531 120.400 -0.101 0.000 2.218 427 K HA -0.210 4.110 4.320 -0.000 0.000 0.205 427 K C 1.050 177.281 176.600 -0.615 0.000 1.046 427 K CA 1.801 57.887 56.287 -0.335 0.000 0.933 427 K CB -0.107 32.128 32.500 -0.440 0.000 0.728 427 K HN 0.587 nan 8.250 nan 0.000 0.454 428 Y N 0.202 120.455 120.300 -0.078 0.000 2.751 428 Y HA 0.208 4.758 4.550 -0.000 0.000 0.289 428 Y C -0.406 175.603 175.900 0.182 0.000 1.110 428 Y CA -0.359 57.676 58.100 -0.108 0.000 1.251 428 Y CB 0.941 39.461 38.460 0.099 0.000 1.178 428 Y HN -0.190 nan 8.280 nan 0.000 0.540 429 T N 1.039 115.739 114.554 0.244 0.000 2.823 429 T HA 0.243 4.593 4.350 -0.000 0.000 0.279 429 T C -0.197 174.666 174.700 0.271 0.000 0.998 429 T CA -0.929 61.313 62.100 0.237 0.000 0.994 429 T CB 1.264 70.201 68.868 0.115 0.000 0.960 429 T HN -0.083 nan 8.240 nan 0.000 0.448 430 Q N 2.006 121.933 119.800 0.212 0.000 2.263 430 Q HA 0.176 4.516 4.340 -0.000 0.000 0.289 430 Q C 0.353 176.359 176.000 0.009 0.000 1.061 430 Q CA 0.257 56.109 55.803 0.081 0.000 0.927 430 Q CB 0.365 29.164 28.738 0.102 0.000 1.154 430 Q HN 0.603 nan 8.270 nan 0.000 0.378 431 S N 2.642 118.230 115.700 -0.187 0.000 2.593 431 S HA 0.121 4.591 4.470 -0.000 0.000 0.269 431 S C 0.582 175.160 174.600 -0.038 0.000 1.334 431 S CA -0.679 57.399 58.200 -0.203 0.000 1.015 431 S CB 0.403 63.250 63.200 -0.588 0.000 0.912 431 S HN 0.689 nan 8.310 nan 0.000 0.541 432 N N 0.258 118.923 118.700 -0.058 0.000 2.408 432 N HA 0.511 5.251 4.740 -0.000 0.000 0.260 432 N C -0.767 174.771 175.510 0.047 0.000 1.242 432 N CA -0.565 52.458 53.050 -0.045 0.000 0.959 432 N CB 0.565 39.047 38.487 -0.010 0.000 1.201 432 N HN 0.572 nan 8.380 nan 0.000 0.511 433 S N -2.101 113.655 115.700 0.094 0.000 2.565 433 S HA 0.690 5.160 4.470 -0.000 0.000 0.269 433 S C -1.370 173.296 174.600 0.110 0.000 1.153 433 S CA -0.875 57.385 58.200 0.100 0.000 0.835 433 S CB 0.884 64.135 63.200 0.085 0.000 1.122 433 S HN 0.476 nan 8.310 nan 0.000 0.462 434 V N 0.229 120.212 119.914 0.114 0.000 3.007 434 V HA 0.810 4.930 4.120 -0.000 0.000 0.311 434 V C -0.816 175.335 176.094 0.095 0.000 1.120 434 V CA -0.664 61.697 62.300 0.102 0.000 0.980 434 V CB 1.779 33.681 31.823 0.132 0.000 1.033 434 V HN 1.310 nan 8.190 nan 0.000 0.429 435 C N 3.749 123.070 119.300 0.035 0.000 2.608 435 C HA 0.749 5.208 4.460 -0.000 0.000 0.325 435 C C -1.454 173.540 174.990 0.006 0.000 1.147 435 C CA -0.608 58.454 59.018 0.072 0.000 1.359 435 C CB 0.643 28.418 27.740 0.059 0.000 1.912 435 C HN 0.781 nan 8.230 nan 0.000 0.466 436 Y N 3.625 123.924 120.300 -0.001 0.000 2.330 436 Y HA 0.683 5.233 4.550 -0.000 0.000 0.336 436 Y C 0.583 176.433 175.900 -0.083 0.000 1.036 436 Y CA -0.066 58.017 58.100 -0.029 0.000 1.125 436 Y CB 1.613 40.048 38.460 -0.042 0.000 1.194 436 Y HN 0.956 nan 8.280 nan 0.000 0.469 437 A N 3.688 126.541 122.820 0.055 0.000 2.515 437 A HA 0.854 5.174 4.320 -0.000 0.000 0.298 437 A C -1.288 176.269 177.584 -0.044 0.000 1.059 437 A CA -0.886 51.130 52.037 -0.035 0.000 0.698 437 A CB 2.046 21.036 19.000 -0.017 0.000 1.289 437 A HN 0.692 nan 8.150 nan 0.000 0.404 438 K N 1.200 121.539 120.400 -0.102 0.000 2.557 438 K HA 0.463 4.783 4.320 -0.000 0.000 0.261 438 K C -1.435 175.162 176.600 -0.006 0.000 0.932 438 K CA -0.372 55.888 56.287 -0.044 0.000 0.829 438 K CB 1.222 33.698 32.500 -0.040 0.000 1.358 438 K HN 0.607 nan 8.250 nan 0.000 0.430 439 D N 2.368 122.799 120.400 0.051 0.000 2.800 439 D HA -0.152 4.488 4.640 -0.000 0.000 0.232 439 D C 0.551 176.888 176.300 0.062 0.000 1.137 439 D CA 1.995 56.048 54.000 0.089 0.000 0.718 439 D CB -1.398 39.509 40.800 0.178 0.000 1.084 439 D HN 1.079 nan 8.370 nan 0.000 0.432 440 G N -0.248 108.568 108.800 0.027 0.000 2.155 440 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.257 440 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.257 440 G C 0.147 175.056 174.900 0.014 0.000 0.983 440 G CA 1.194 46.307 45.100 0.022 0.000 0.676 440 G HN 0.874 nan 8.290 nan 0.000 0.528 441 Q N -1.124 118.668 119.800 -0.015 0.000 2.495 441 Q HA 0.714 5.054 4.340 -0.000 0.000 0.287 441 Q C -0.634 175.297 176.000 -0.115 0.000 1.078 441 Q CA -1.076 54.700 55.803 -0.045 0.000 0.793 441 Q CB 2.036 30.755 28.738 -0.032 0.000 1.459 441 Q HN 0.337 nan 8.270 nan 0.000 0.422 442 V N 3.325 123.179 119.914 -0.100 0.000 2.572 442 V HA 0.075 4.195 4.120 -0.000 0.000 0.291 442 V C 0.960 176.893 176.094 -0.268 0.000 1.039 442 V CA 0.409 62.641 62.300 -0.114 0.000 1.055 442 V CB 0.459 32.250 31.823 -0.053 0.000 0.969 442 V HN 0.816 nan 8.190 nan 0.000 0.482 443 I N 1.623 121.994 120.570 -0.331 0.000 4.403 443 I HA 0.670 4.840 4.170 -0.000 0.000 0.331 443 I C 0.735 176.709 176.117 -0.238 0.000 1.327 443 I CA 0.149 61.074 61.300 -0.625 0.000 1.175 443 I CB 0.903 38.272 38.000 -1.052 0.000 1.165 443 I HN 0.611 nan 8.210 nan 0.000 0.413 444 G N 2.186 110.943 108.800 -0.071 0.000 2.728 444 G HA2 0.631 4.591 3.960 -0.000 0.000 0.294 444 G HA3 0.631 4.591 3.960 -0.000 0.000 0.294 444 G C -1.901 173.080 174.900 0.135 0.000 1.398 444 G CA -0.372 44.739 45.100 0.019 0.000 1.183 444 G HN 0.179 nan 8.290 nan 0.000 0.578 445 I N 1.734 122.369 120.570 0.108 0.000 2.644 445 I HA 0.739 4.909 4.170 -0.000 0.000 0.291 445 I C 0.047 176.230 176.117 0.110 0.000 1.180 445 I CA -0.680 60.690 61.300 0.117 0.000 1.040 445 I CB 2.047 40.084 38.000 0.061 0.000 1.255 445 I HN 0.697 nan 8.210 nan 0.000 0.422 446 G N 5.585 114.462 108.800 0.128 0.000 2.379 446 G HA2 0.806 4.766 3.960 -0.000 0.000 0.327 446 G HA3 0.806 4.766 3.960 -0.000 0.000 0.327 446 G C -1.289 173.667 174.900 0.094 0.000 1.145 446 G CA -0.374 44.794 45.100 0.114 0.000 0.905 446 G HN 0.862 nan 8.290 nan 0.000 0.466 447 A N 0.754 123.622 122.820 0.080 0.000 2.454 447 A HA 0.817 5.137 4.320 -0.000 0.000 0.302 447 A C 0.882 178.503 177.584 0.061 0.000 1.079 447 A CA 0.137 52.217 52.037 0.071 0.000 0.731 447 A CB 1.295 20.338 19.000 0.071 0.000 1.299 447 A HN 2.476 nan 8.150 nan 0.000 0.413 448 G N 0.600 109.434 108.800 0.056 0.000 2.258 448 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.274 448 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.274 448 G C 0.161 175.078 174.900 0.029 0.000 1.021 448 G CA 0.722 45.851 45.100 0.049 0.000 0.798 448 G HN 0.766 nan 8.290 nan 0.000 0.507 449 Q N -0.945 118.874 119.800 0.032 0.000 2.256 449 Q HA 0.445 4.785 4.340 -0.000 0.000 0.232 449 Q C 1.213 177.213 176.000 -0.000 0.000 0.965 449 Q CA -0.170 55.647 55.803 0.023 0.000 0.908 449 Q CB 0.649 29.425 28.738 0.063 0.000 1.209 449 Q HN 0.643 nan 8.270 nan 0.000 0.489 450 Q N -0.266 119.521 119.800 -0.022 0.000 2.179 450 Q HA 0.251 4.591 4.340 -0.000 0.000 0.213 450 Q C -0.355 175.642 176.000 -0.005 0.000 0.833 450 Q CA -0.109 55.673 55.803 -0.035 0.000 0.990 450 Q CB 1.109 29.809 28.738 -0.064 0.000 1.132 450 Q HN 0.412 nan 8.270 nan 0.000 0.493 451 S N -0.282 115.446 115.700 0.048 0.000 2.592 451 S HA 0.329 4.799 4.470 -0.000 0.000 0.275 451 S C -0.087 174.624 174.600 0.185 0.000 1.169 451 S CA -0.624 57.656 58.200 0.133 0.000 0.958 451 S CB 1.544 64.866 63.200 0.202 0.000 1.095 451 S HN 0.194 nan 8.310 nan 0.000 0.471 452 R N 3.274 123.886 120.500 0.186 0.000 2.094 452 R HA -0.061 4.279 4.340 -0.000 0.000 0.239 452 R C 1.891 178.312 176.300 0.202 0.000 1.137 452 R CA 2.593 58.819 56.100 0.209 0.000 0.943 452 R CB -1.051 29.402 30.300 0.257 0.000 0.850 452 R HN 0.775 nan 8.270 nan 0.000 0.433 453 I N 0.111 120.791 120.570 0.183 0.000 2.208 453 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 453 I C 1.639 177.788 176.117 0.054 0.000 1.097 453 I CA 1.866 63.219 61.300 0.087 0.000 1.363 453 I CB -0.410 37.603 38.000 0.022 0.000 1.051 453 I HN 0.320 nan 8.210 nan 0.000 0.413 454 H N -1.402 117.707 119.070 0.065 0.000 2.387 454 H HA -0.195 4.361 4.556 -0.000 0.000 0.299 454 H C 2.456 177.826 175.328 0.071 0.000 1.090 454 H CA 2.092 58.172 56.048 0.054 0.000 1.332 454 H CB -0.608 29.180 29.762 0.042 0.000 1.386 454 H HN 0.489 nan 8.280 nan 0.000 0.516 455 C N 0.013 119.440 119.300 0.212 0.000 2.446 455 C HA -0.141 4.319 4.460 -0.000 0.000 0.277 455 C C 2.761 177.856 174.990 0.175 0.000 1.275 455 C CA 1.594 60.714 59.018 0.170 0.000 1.727 455 C CB -0.966 26.866 27.740 0.154 0.000 2.010 455 C HN 0.586 nan 8.230 nan 0.000 0.486 456 T N 0.434 115.089 114.554 0.168 0.000 2.720 456 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 456 T C 1.921 176.741 174.700 0.201 0.000 1.037 456 T CA 1.575 63.786 62.100 0.185 0.000 1.144 456 T CB -0.257 68.664 68.868 0.088 0.000 0.864 456 T HN 0.616 nan 8.240 nan 0.000 0.444 457 R N 0.124 120.690 120.500 0.110 0.000 2.073 457 R HA 0.077 4.417 4.340 -0.000 0.000 0.229 457 R C 2.362 178.703 176.300 0.068 0.000 1.120 457 R CA 0.748 56.885 56.100 0.062 0.000 0.967 457 R CB -0.511 29.787 30.300 -0.003 0.000 0.862 457 R HN 0.209 nan 8.270 nan 0.000 0.436 458 L N 0.831 122.112 121.223 0.097 0.000 2.017 458 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 458 L C 2.186 179.107 176.870 0.085 0.000 1.073 458 L CA 2.007 56.901 54.840 0.091 0.000 0.745 458 L CB -0.638 41.486 42.059 0.109 0.000 0.894 458 L HN 0.139 nan 8.230 nan 0.000 0.432 459 A N -0.817 122.083 122.820 0.134 0.000 1.929 459 A HA 0.036 4.356 4.320 -0.000 0.000 0.216 459 A C 2.324 179.875 177.584 -0.056 0.000 1.176 459 A CA 1.218 53.343 52.037 0.147 0.000 0.628 459 A CB -1.472 17.731 19.000 0.337 0.000 0.816 459 A HN 0.512 nan 8.150 nan 0.000 0.444 460 G N -0.320 108.427 108.800 -0.090 0.000 2.418 460 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.217 460 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.217 460 G C 1.218 175.976 174.900 -0.236 0.000 1.158 460 G CA 1.143 45.983 45.100 -0.433 0.000 0.771 460 G HN 0.503 nan 8.290 nan 0.000 0.545 461 D N 0.201 120.555 120.400 -0.077 0.000 2.269 461 D HA -0.020 4.620 4.640 -0.000 0.000 0.208 461 D C 2.355 178.664 176.300 0.014 0.000 0.963 461 D CA 0.570 54.558 54.000 -0.019 0.000 0.864 461 D CB 0.064 40.869 40.800 0.008 0.000 0.936 461 D HN 0.318 nan 8.370 nan 0.000 0.505 462 K N 0.686 121.091 120.400 0.008 0.000 2.155 462 K HA 0.007 4.327 4.320 -0.000 0.000 0.203 462 K C 2.089 178.744 176.600 0.092 0.000 1.052 462 K CA 0.538 56.862 56.287 0.062 0.000 0.948 462 K CB 0.133 32.670 32.500 0.063 0.000 0.728 462 K HN -0.031 nan 8.250 nan 0.000 0.448 463 A N 2.028 124.833 122.820 -0.025 0.000 1.969 463 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 463 A C 1.757 179.462 177.584 0.202 0.000 1.169 463 A CA 1.299 53.338 52.037 0.003 0.000 0.635 463 A CB -0.311 18.465 19.000 -0.373 0.000 0.810 463 A HN 0.217 nan 8.150 nan 0.000 0.445 464 N N 0.361 119.136 118.700 0.126 0.000 2.106 464 N HA -0.093 4.647 4.740 -0.000 0.000 0.188 464 N C 1.968 177.653 175.510 0.292 0.000 1.029 464 N CA 1.578 54.759 53.050 0.219 0.000 0.848 464 N CB -0.547 38.017 38.487 0.128 0.000 1.007 464 N HN 0.397 nan 8.380 nan 0.000 0.423 465 S N 0.389 116.223 115.700 0.223 0.000 2.370 465 S HA -0.172 4.298 4.470 -0.000 0.000 0.226 465 S C 1.597 176.372 174.600 0.293 0.000 1.033 465 S CA 1.074 59.400 58.200 0.210 0.000 1.011 465 S CB -0.375 62.927 63.200 0.170 0.000 0.852 465 S HN 0.557 nan 8.310 nan 0.000 0.457 466 W N 1.387 122.807 121.300 0.201 0.000 2.333 466 W HA -0.151 4.509 4.660 -0.000 0.000 0.316 466 W C 2.195 178.959 176.519 0.408 0.000 1.215 466 W CA 1.376 58.887 57.345 0.276 0.000 1.278 466 W CB -0.675 28.922 29.460 0.229 0.000 1.154 466 W HN 0.425 nan 8.180 nan 0.000 0.486 467 W N 0.588 121.948 121.300 0.100 0.000 2.363 467 W HA -0.200 4.460 4.660 -0.000 0.000 0.296 467 W C 1.782 178.439 176.519 0.229 0.000 1.212 467 W CA 1.284 58.540 57.345 -0.148 0.000 1.260 467 W CB -0.461 29.064 29.460 0.110 0.000 1.131 467 W HN -0.120 nan 8.180 nan 0.000 0.530 468 L N 0.523 121.864 121.223 0.197 0.000 2.265 468 L HA -0.164 4.176 4.340 -0.000 0.000 0.215 468 L C 2.419 179.205 176.870 -0.139 0.000 1.117 468 L CA 1.107 55.934 54.840 -0.021 0.000 0.782 468 L CB -0.598 41.481 42.059 0.033 0.000 0.914 468 L HN -0.112 nan 8.230 nan 0.000 0.441 469 R N -1.299 119.187 120.500 -0.023 0.000 2.307 469 R HA -0.076 4.264 4.340 -0.000 0.000 0.199 469 R C 1.416 177.618 176.300 -0.165 0.000 1.000 469 R CA 0.423 56.492 56.100 -0.051 0.000 1.023 469 R CB -0.083 30.209 30.300 -0.015 0.000 0.908 469 R HN 0.393 nan 8.270 nan 0.000 0.473 470 H N -1.669 117.137 119.070 -0.441 0.000 2.553 470 H HA 0.071 4.627 4.556 -0.000 0.000 0.265 470 H C 0.154 175.114 175.328 -0.613 0.000 0.964 470 H CA -0.046 55.729 56.048 -0.456 0.000 1.156 470 H CB -0.090 29.338 29.762 -0.556 0.000 1.411 470 H HN 0.073 nan 8.280 nan 0.000 0.558 471 H N 2.105 120.640 119.070 -0.891 0.000 2.929 471 H HA -0.024 4.532 4.556 -0.000 0.000 0.317 471 H C -1.623 173.288 175.328 -0.695 0.000 1.031 471 H CA -1.717 53.502 56.048 -1.382 0.000 1.466 471 H CB 1.225 30.164 29.762 -1.372 0.000 1.482 471 H HN 0.095 nan 8.280 nan 0.000 0.561 472 P HA -0.247 nan 4.420 nan 0.000 0.219 472 P C 1.585 178.829 177.300 -0.093 0.000 1.158 472 P CA 1.983 64.912 63.100 -0.286 0.000 0.895 472 P CB 0.064 31.576 31.700 -0.314 0.000 0.792 473 R N -0.558 120.002 120.500 0.100 0.000 2.152 473 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 473 R C 1.812 178.053 176.300 -0.098 0.000 1.117 473 R CA 1.068 57.169 56.100 0.002 0.000 0.981 473 R CB -0.538 29.775 30.300 0.023 0.000 0.870 473 R HN 0.075 nan 8.270 nan 0.000 0.451 474 V N 0.766 120.640 119.914 -0.066 0.000 2.302 474 V HA -0.198 3.922 4.120 -0.000 0.000 0.243 474 V C 2.251 178.287 176.094 -0.098 0.000 1.036 474 V CA 1.452 63.697 62.300 -0.092 0.000 1.020 474 V CB -0.335 31.462 31.823 -0.044 0.000 0.657 474 V HN 0.317 nan 8.190 nan 0.000 0.453 475 L N 1.045 122.198 121.223 -0.116 0.000 2.079 475 L HA -0.150 4.189 4.340 -0.000 0.000 0.210 475 L C 2.222 179.033 176.870 -0.098 0.000 1.081 475 L CA 1.959 56.732 54.840 -0.112 0.000 0.752 475 L CB -0.637 41.340 42.059 -0.137 0.000 0.896 475 L HN 0.539 nan 8.230 nan 0.000 0.433 476 S N -1.841 113.796 115.700 -0.105 0.000 2.634 476 S HA 0.209 4.679 4.470 -0.000 0.000 0.221 476 S C 0.706 175.235 174.600 -0.117 0.000 0.952 476 S CA -0.384 57.757 58.200 -0.099 0.000 0.930 476 S CB -0.300 62.846 63.200 -0.090 0.000 0.780 476 S HN 0.178 nan 8.310 nan 0.000 0.498 477 M N 2.816 122.329 119.600 -0.145 0.000 2.290 477 M HA 0.073 4.553 4.480 -0.000 0.000 0.356 477 M C -0.018 176.173 176.300 -0.183 0.000 1.448 477 M CA 0.442 55.608 55.300 -0.223 0.000 0.993 477 M CB 0.244 32.672 32.600 -0.288 0.000 1.934 477 M HN -0.054 nan 8.290 nan 0.000 0.461 478 K N 4.671 124.972 120.400 -0.165 0.000 2.150 478 K HA 0.291 4.611 4.320 -0.000 0.000 0.261 478 K C -0.809 175.702 176.600 -0.148 0.000 1.127 478 K CA 0.061 56.284 56.287 -0.106 0.000 0.989 478 K CB -0.394 32.059 32.500 -0.078 0.000 1.475 478 K HN 0.355 nan 8.250 nan 0.000 0.391 479 F N 1.287 121.168 119.950 -0.115 0.000 2.380 479 F HA 0.232 4.758 4.527 -0.000 0.000 0.325 479 F C 0.971 176.654 175.800 -0.194 0.000 1.136 479 F CA -0.310 57.528 58.000 -0.272 0.000 1.171 479 F CB 0.771 39.601 39.000 -0.284 0.000 1.230 479 F HN 0.121 nan 8.300 nan 0.000 0.554 480 K N 1.463 121.886 120.400 0.038 0.000 2.207 480 K HA 0.696 5.016 4.320 -0.000 0.000 0.255 480 K C -0.963 175.615 176.600 -0.037 0.000 0.941 480 K CA -0.666 55.611 56.287 -0.018 0.000 0.825 480 K CB 1.461 33.934 32.500 -0.046 0.000 1.119 480 K HN 0.628 nan 8.250 nan 0.000 0.430 481 A N 1.845 124.643 122.820 -0.037 0.000 2.565 481 A HA 0.424 4.744 4.320 -0.000 0.000 0.237 481 A C 1.091 178.640 177.584 -0.057 0.000 1.053 481 A CA 1.198 53.206 52.037 -0.048 0.000 0.755 481 A CB -0.898 18.081 19.000 -0.035 0.000 0.980 481 A HN 1.258 nan 8.150 nan 0.000 0.506 482 G N 0.795 109.552 108.800 -0.070 0.000 2.296 482 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.188 482 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.188 482 G C 0.016 174.861 174.900 -0.092 0.000 1.000 482 G CA -0.071 44.988 45.100 -0.068 0.000 0.672 482 G HN 1.429 nan 8.290 nan 0.000 0.483 483 V N 2.477 122.311 119.914 -0.133 0.000 2.432 483 V HA 0.455 4.575 4.120 -0.000 0.000 0.275 483 V C 0.731 176.705 176.094 -0.200 0.000 1.043 483 V CA -0.599 61.587 62.300 -0.190 0.000 0.925 483 V CB 1.356 32.996 31.823 -0.305 0.000 0.985 483 V HN 0.321 nan 8.190 nan 0.000 0.466 484 K N 3.023 123.328 120.400 -0.157 0.000 2.138 484 K HA 0.298 4.618 4.320 -0.000 0.000 0.251 484 K C 1.335 177.838 176.600 -0.162 0.000 1.015 484 K CA -0.597 55.614 56.287 -0.126 0.000 0.917 484 K CB 1.037 33.495 32.500 -0.071 0.000 1.021 484 K HN 0.554 nan 8.250 nan 0.000 0.485 485 R N 1.101 121.534 120.500 -0.112 0.000 2.117 485 R HA -0.227 4.113 4.340 -0.000 0.000 0.243 485 R C 1.858 178.116 176.300 -0.070 0.000 1.143 485 R CA 1.986 58.027 56.100 -0.098 0.000 0.968 485 R CB -0.322 29.954 30.300 -0.040 0.000 0.863 485 R HN 0.756 nan 8.270 nan 0.000 0.444 486 A N 0.615 123.421 122.820 -0.025 0.000 1.930 486 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 486 A C 1.848 179.414 177.584 -0.029 0.000 1.175 486 A CA 1.551 53.598 52.037 0.017 0.000 0.627 486 A CB -0.275 18.766 19.000 0.068 0.000 0.815 486 A HN 0.450 nan 8.150 nan 0.000 0.443 487 E N -0.541 119.610 120.200 -0.080 0.000 2.208 487 E HA -0.035 4.315 4.350 -0.000 0.000 0.193 487 E C 1.871 178.375 176.600 -0.160 0.000 0.988 487 E CA 0.911 57.253 56.400 -0.096 0.000 0.828 487 E CB -0.157 29.470 29.700 -0.121 0.000 0.763 487 E HN 0.366 nan 8.360 nan 0.000 0.478 488 V N -0.026 119.699 119.914 -0.314 0.000 2.302 488 V HA -0.218 3.902 4.120 -0.000 0.000 0.243 488 V C 2.284 178.324 176.094 -0.090 0.000 1.036 488 V CA 1.725 63.719 62.300 -0.510 0.000 1.020 488 V CB -0.539 30.825 31.823 -0.766 0.000 0.657 488 V HN 0.301 nan 8.190 nan 0.000 0.453 489 S N 0.280 115.951 115.700 -0.049 0.000 2.374 489 S HA -0.285 4.185 4.470 -0.000 0.000 0.227 489 S C 2.008 176.668 174.600 0.100 0.000 1.037 489 S CA 2.148 60.377 58.200 0.048 0.000 1.024 489 S CB -0.508 62.725 63.200 0.054 0.000 0.861 489 S HN 0.624 nan 8.310 nan 0.000 0.456 490 N N 1.328 120.076 118.700 0.080 0.000 2.025 490 N HA -0.054 4.686 4.740 -0.000 0.000 0.194 490 N C 2.027 177.674 175.510 0.229 0.000 1.044 490 N CA 1.559 54.679 53.050 0.117 0.000 0.851 490 N CB -0.953 37.582 38.487 0.080 0.000 1.036 490 N HN 0.513 nan 8.380 nan 0.000 0.422 491 A N 1.540 124.544 122.820 0.306 0.000 1.883 491 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 491 A C 2.412 180.369 177.584 0.622 0.000 1.186 491 A CA 1.226 53.616 52.037 0.589 0.000 0.624 491 A CB -0.858 18.488 19.000 0.575 0.000 0.822 491 A HN 0.297 nan 8.150 nan 0.000 0.444 492 I N -0.255 120.596 120.570 0.468 0.000 2.208 492 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 492 I C 1.987 178.287 176.117 0.305 0.000 1.097 492 I CA 1.633 63.167 61.300 0.389 0.000 1.363 492 I CB -0.510 37.654 38.000 0.273 0.000 1.051 492 I HN 0.299 nan 8.210 nan 0.000 0.413 493 D N 0.596 121.135 120.400 0.232 0.000 2.144 493 D HA -0.198 4.442 4.640 -0.000 0.000 0.199 493 D C 2.261 178.641 176.300 0.134 0.000 0.984 493 D CA 1.367 55.465 54.000 0.162 0.000 0.834 493 D CB -0.136 40.741 40.800 0.127 0.000 0.955 493 D HN 0.599 nan 8.370 nan 0.000 0.465 494 Q N -0.831 119.066 119.800 0.162 0.000 2.331 494 Q HA -0.121 4.219 4.340 -0.000 0.000 0.203 494 Q C 2.007 178.000 176.000 -0.012 0.000 0.944 494 Q CA 0.524 56.363 55.803 0.059 0.000 0.892 494 Q CB -0.481 28.285 28.738 0.045 0.000 0.983 494 Q HN 0.332 nan 8.270 nan 0.000 0.482 495 Y N 2.999 123.293 120.300 -0.010 0.000 2.163 495 Y HA -0.176 4.374 4.550 -0.000 0.000 0.288 495 Y C 2.248 178.082 175.900 -0.111 0.000 1.136 495 Y CA 1.677 59.716 58.100 -0.103 0.000 1.147 495 Y CB -0.114 38.442 38.460 0.159 0.000 0.987 495 Y HN 0.053 nan 8.280 nan 0.000 0.509 496 V N -1.943 117.923 119.914 -0.079 0.000 2.871 496 V HA -0.069 4.051 4.120 -0.000 0.000 0.256 496 V C 1.658 177.662 176.094 -0.149 0.000 1.082 496 V CA 1.997 64.192 62.300 -0.174 0.000 1.105 496 V CB -1.409 30.409 31.823 -0.009 0.000 0.713 496 V HN 0.580 nan 8.190 nan 0.000 0.473 497 T N -3.444 111.050 114.554 -0.100 0.000 3.069 497 T HA 0.415 4.765 4.350 -0.000 0.000 0.252 497 T C 1.662 176.292 174.700 -0.116 0.000 1.053 497 T CA 0.577 62.632 62.100 -0.076 0.000 0.964 497 T CB 0.128 68.985 68.868 -0.019 0.000 1.005 497 T HN 1.463 nan 8.240 nan 0.000 0.532 498 G N 2.488 111.172 108.800 -0.193 0.000 2.212 498 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.267 498 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.267 498 G C 0.393 175.201 174.900 -0.153 0.000 1.002 498 G CA 0.647 45.624 45.100 -0.206 0.000 0.729 498 G HN 1.120 nan 8.290 nan 0.000 0.517 499 T N -2.063 112.418 114.554 -0.121 0.000 3.465 499 T HA 0.599 4.949 4.350 -0.000 0.000 0.323 499 T C 1.340 175.982 174.700 -0.098 0.000 1.774 499 T CA -0.188 61.861 62.100 -0.084 0.000 1.348 499 T CB 0.910 69.754 68.868 -0.041 0.000 1.147 499 T HN 0.155 nan 8.240 nan 0.000 0.778 500 I N 1.291 121.771 120.570 -0.149 0.000 2.703 500 I HA 0.393 4.563 4.170 -0.000 0.000 0.259 500 I C 1.700 177.770 176.117 -0.079 0.000 1.151 500 I CA 1.358 62.554 61.300 -0.173 0.000 1.470 500 I CB -0.316 37.501 38.000 -0.305 0.000 1.112 500 I HN 0.869 nan 8.210 nan 0.000 0.437 501 G N -0.260 108.500 108.800 -0.067 0.000 2.591 501 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.226 501 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.226 501 G C 0.087 174.967 174.900 -0.032 0.000 1.598 501 G CA 0.034 45.114 45.100 -0.033 0.000 1.349 501 G HN 0.344 nan 8.290 nan 0.000 0.493 502 E N -0.421 119.768 120.200 -0.018 0.000 2.437 502 E HA 0.456 4.806 4.350 -0.000 0.000 0.253 502 E C -0.030 176.567 176.600 -0.005 0.000 0.905 502 E CA -0.546 55.846 56.400 -0.013 0.000 0.871 502 E CB 1.030 30.729 29.700 -0.002 0.000 1.649 502 E HN 0.190 nan 8.360 nan 0.000 0.422 503 D N 0.777 121.179 120.400 0.002 0.000 2.219 503 D HA -0.149 4.491 4.640 -0.000 0.000 0.205 503 D C 1.486 177.807 176.300 0.034 0.000 0.970 503 D CA 1.078 55.086 54.000 0.014 0.000 0.851 503 D CB 0.224 41.031 40.800 0.011 0.000 0.943 503 D HN 0.447 nan 8.370 nan 0.000 0.488 504 E N 1.230 121.450 120.200 0.032 0.000 2.006 504 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 504 E C 1.406 178.046 176.600 0.067 0.000 0.993 504 E CA 1.176 57.602 56.400 0.043 0.000 0.808 504 E CB -0.037 29.683 29.700 0.033 0.000 0.764 504 E HN -0.075 nan 8.360 nan 0.000 0.449 505 D N -0.268 120.170 120.400 0.065 0.000 2.354 505 D HA -0.157 4.483 4.640 -0.000 0.000 0.216 505 D C 1.847 178.241 176.300 0.157 0.000 0.970 505 D CA 0.381 54.439 54.000 0.097 0.000 0.905 505 D CB -0.014 40.826 40.800 0.067 0.000 0.903 505 D HN 0.189 nan 8.370 nan 0.000 0.508 506 L N -0.612 120.687 121.223 0.126 0.000 2.072 506 L HA -0.056 4.284 4.340 -0.000 0.000 0.205 506 L C 2.134 179.158 176.870 0.257 0.000 1.079 506 L CA 1.121 56.069 54.840 0.180 0.000 0.752 506 L CB -0.434 41.677 42.059 0.086 0.000 0.906 506 L HN -0.049 nan 8.230 nan 0.000 0.436 507 V N -0.059 119.953 119.914 0.164 0.000 2.287 507 V HA -0.341 3.779 4.120 -0.000 0.000 0.248 507 V C 2.617 178.803 176.094 0.154 0.000 1.053 507 V CA 2.230 64.613 62.300 0.138 0.000 1.027 507 V CB -0.802 31.072 31.823 0.086 0.000 0.646 507 V HN 0.483 nan 8.190 nan 0.000 0.447 508 K N -1.272 119.221 120.400 0.154 0.000 2.063 508 K HA -0.269 4.051 4.320 -0.000 0.000 0.208 508 K C 1.995 178.707 176.600 0.188 0.000 1.048 508 K CA 2.100 58.469 56.287 0.138 0.000 0.928 508 K CB -0.300 32.275 32.500 0.125 0.000 0.713 508 K HN 0.585 nan 8.250 nan 0.000 0.442 509 W N 1.804 123.172 121.300 0.114 0.000 2.358 509 W HA -0.172 4.488 4.660 -0.000 0.000 0.303 509 W C 1.845 178.557 176.519 0.323 0.000 1.208 509 W CA 1.554 59.019 57.345 0.200 0.000 1.274 509 W CB -0.051 29.518 29.460 0.181 0.000 1.138 509 W HN 0.147 nan 8.180 nan 0.000 0.515 510 Q N -0.244 119.733 119.800 0.295 0.000 2.172 510 Q HA -0.105 4.235 4.340 -0.000 0.000 0.200 510 Q C 2.405 178.448 176.000 0.073 0.000 0.964 510 Q CA 1.400 57.286 55.803 0.138 0.000 0.855 510 Q CB -0.588 28.261 28.738 0.186 0.000 0.918 510 Q HN 0.341 nan 8.270 nan 0.000 0.444 511 A N 1.078 123.929 122.820 0.051 0.000 1.948 511 A HA -0.225 4.094 4.320 -0.000 0.000 0.220 511 A C 2.029 179.570 177.584 -0.072 0.000 1.177 511 A CA 1.586 53.623 52.037 0.001 0.000 0.636 511 A CB -0.537 18.470 19.000 0.013 0.000 0.815 511 A HN 0.329 nan 8.150 nan 0.000 0.449 512 M N -1.713 117.786 119.600 -0.168 0.000 2.296 512 M HA 0.041 4.521 4.480 -0.000 0.000 0.265 512 M C -0.271 175.736 176.300 -0.488 0.000 1.064 512 M CA 0.540 55.642 55.300 -0.329 0.000 1.109 512 M CB -0.231 32.095 32.600 -0.457 0.000 1.396 512 M HN 0.314 nan 8.290 nan 0.000 0.430 513 F N -0.074 119.686 119.950 -0.315 0.000 2.377 513 F HA 0.168 4.695 4.527 -0.000 0.000 0.328 513 F C 1.234 176.901 175.800 -0.222 0.000 1.094 513 F CA -0.558 57.219 58.000 -0.371 0.000 1.093 513 F CB 0.581 39.238 39.000 -0.572 0.000 1.214 513 F HN -0.155 nan 8.300 nan 0.000 0.518 514 E N 0.807 120.993 120.200 -0.023 0.000 2.501 514 E HA 0.097 4.447 4.350 -0.000 0.000 0.201 514 E C -0.647 175.934 176.600 -0.033 0.000 1.016 514 E CA 0.255 56.636 56.400 -0.031 0.000 0.920 514 E CB 0.167 29.845 29.700 -0.037 0.000 1.023 514 E HN 0.611 nan 8.360 nan 0.000 0.474 515 E N -0.118 120.061 120.200 -0.034 0.000 2.593 515 E HA 0.077 4.427 4.350 -0.000 0.000 0.363 515 E C -1.202 175.300 176.600 -0.164 0.000 1.059 515 E CA -0.149 56.204 56.400 -0.079 0.000 0.751 515 E CB 0.232 29.883 29.700 -0.082 0.000 1.428 515 E HN -0.097 nan 8.360 nan 0.000 0.396 516 V N 4.115 123.918 119.914 -0.184 0.000 2.621 516 V HA -0.039 4.081 4.120 -0.000 0.000 0.300 516 V C -1.445 174.423 176.094 -0.377 0.000 1.031 516 V CA 0.013 62.074 62.300 -0.398 0.000 1.210 516 V CB -0.651 31.065 31.823 -0.179 0.000 0.864 516 V HN 0.484 nan 8.190 nan 0.000 0.477 517 P HA 0.294 nan 4.420 nan 0.000 0.275 517 P C -0.390 176.853 177.300 -0.095 0.000 1.227 517 P CA -0.312 62.566 63.100 -0.370 0.000 0.781 517 P CB 1.008 32.312 31.700 -0.660 0.000 0.906 518 A N 4.067 126.866 122.820 -0.036 0.000 2.491 518 A HA 0.093 4.413 4.320 -0.000 0.000 0.261 518 A C 0.816 178.459 177.584 0.098 0.000 1.101 518 A CA -0.321 51.727 52.037 0.019 0.000 0.772 518 A CB -0.324 18.670 19.000 -0.010 0.000 1.043 518 A HN 0.503 nan 8.150 nan 0.000 0.501 519 Q N 1.055 120.896 119.800 0.068 0.000 2.379 519 Q HA -0.016 4.324 4.340 -0.000 0.000 0.320 519 Q C -0.252 175.648 176.000 -0.167 0.000 1.153 519 Q CA 0.655 56.426 55.803 -0.053 0.000 0.993 519 Q CB 0.220 28.869 28.738 -0.148 0.000 1.265 519 Q HN 0.649 nan 8.270 nan 0.000 0.423 520 L N 2.206 123.193 121.223 -0.394 0.000 2.319 520 L HA 0.132 4.472 4.340 -0.000 0.000 0.280 520 L C 0.924 177.655 176.870 -0.231 0.000 1.099 520 L CA -0.369 54.266 54.840 -0.342 0.000 0.828 520 L CB 0.678 42.440 42.059 -0.495 0.000 1.150 520 L HN 0.688 nan 8.230 nan 0.000 0.442 521 T N -1.617 112.851 114.554 -0.144 0.000 2.904 521 T HA 0.074 4.423 4.350 -0.000 0.000 0.290 521 T C 0.920 175.571 174.700 -0.082 0.000 1.018 521 T CA -0.726 61.316 62.100 -0.098 0.000 1.075 521 T CB 1.523 70.356 68.868 -0.057 0.000 0.986 521 T HN 0.573 nan 8.240 nan 0.000 0.523 522 E N 1.340 121.500 120.200 -0.067 0.000 2.219 522 E HA -0.107 4.243 4.350 -0.000 0.000 0.198 522 E C 2.042 178.631 176.600 -0.018 0.000 0.998 522 E CA 1.689 58.062 56.400 -0.046 0.000 0.818 522 E CB -0.808 28.868 29.700 -0.040 0.000 0.741 522 E HN 0.812 nan 8.360 nan 0.000 0.477 523 A N 0.294 123.107 122.820 -0.013 0.000 1.874 523 A HA -0.111 4.209 4.320 -0.000 0.000 0.214 523 A C 2.047 179.653 177.584 0.037 0.000 1.189 523 A CA 1.367 53.411 52.037 0.011 0.000 0.615 523 A CB -0.435 18.570 19.000 0.008 0.000 0.830 523 A HN 0.293 nan 8.150 nan 0.000 0.443 524 E N 0.248 120.463 120.200 0.026 0.000 2.051 524 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 524 E C 2.021 178.691 176.600 0.117 0.000 0.991 524 E CA 1.417 57.859 56.400 0.069 0.000 0.799 524 E CB -0.178 29.529 29.700 0.012 0.000 0.748 524 E HN 0.539 nan 8.360 nan 0.000 0.449 525 K N 1.012 121.436 120.400 0.040 0.000 2.074 525 K HA -0.225 4.095 4.320 -0.000 0.000 0.209 525 K C 2.225 178.929 176.600 0.174 0.000 1.048 525 K CA 1.332 57.669 56.287 0.083 0.000 0.926 525 K CB -0.177 32.319 32.500 -0.007 0.000 0.713 525 K HN 0.007 nan 8.250 nan 0.000 0.444 526 K N 1.368 121.834 120.400 0.110 0.000 2.026 526 K HA -0.269 4.051 4.320 -0.000 0.000 0.208 526 K C 2.380 179.055 176.600 0.125 0.000 1.048 526 K CA 1.820 58.166 56.287 0.098 0.000 0.929 526 K CB -0.016 32.517 32.500 0.054 0.000 0.713 526 K HN -0.027 nan 8.250 nan 0.000 0.439 527 Q N 0.580 120.465 119.800 0.142 0.000 2.084 527 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 527 Q C 1.825 177.949 176.000 0.207 0.000 0.978 527 Q CA 1.976 57.867 55.803 0.146 0.000 0.844 527 Q CB -0.709 28.116 28.738 0.145 0.000 0.898 527 Q HN 0.603 nan 8.270 nan 0.000 0.426 528 W N 0.407 121.791 121.300 0.139 0.000 2.381 528 W HA -0.127 4.533 4.660 -0.000 0.000 0.301 528 W C 1.564 178.294 176.519 0.352 0.000 1.205 528 W CA 1.192 58.659 57.345 0.202 0.000 1.285 528 W CB -0.172 29.424 29.460 0.228 0.000 1.133 528 W HN 0.241 nan 8.180 nan 0.000 0.521 529 I N 1.394 122.146 120.570 0.303 0.000 2.361 529 I HA -0.275 3.895 4.170 -0.000 0.000 0.251 529 I C 2.622 178.750 176.117 0.017 0.000 1.133 529 I CA 1.384 62.831 61.300 0.245 0.000 1.413 529 I CB -0.734 37.395 38.000 0.216 0.000 1.073 529 I HN -0.072 nan 8.210 nan 0.000 0.424 530 A N 0.169 122.995 122.820 0.010 0.000 2.125 530 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 530 A C 2.276 179.791 177.584 -0.115 0.000 1.156 530 A CA 1.342 53.350 52.037 -0.049 0.000 0.671 530 A CB -0.431 18.560 19.000 -0.014 0.000 0.794 530 A HN 0.351 nan 8.150 nan 0.000 0.459 531 K N -1.010 119.300 120.400 -0.149 0.000 2.418 531 K HA 0.074 4.394 4.320 -0.000 0.000 0.195 531 K C 0.175 176.576 176.600 -0.332 0.000 1.035 531 K CA -0.163 55.999 56.287 -0.208 0.000 1.003 531 K CB -0.190 32.135 32.500 -0.293 0.000 0.793 531 K HN 0.381 nan 8.250 nan 0.000 0.494 532 L N 1.505 122.393 121.223 -0.558 0.000 2.349 532 L HA 0.204 4.544 4.340 -0.000 0.000 0.275 532 L C -0.232 176.326 176.870 -0.520 0.000 1.115 532 L CA 0.547 54.796 54.840 -0.985 0.000 0.820 532 L CB 1.258 42.386 42.059 -1.553 0.000 1.135 532 L HN 0.231 nan 8.230 nan 0.000 0.445 533 T N 1.314 115.610 114.554 -0.429 0.000 2.681 533 T HA 0.682 5.032 4.350 -0.000 0.000 0.296 533 T C 0.274 174.867 174.700 -0.180 0.000 1.157 533 T CA -0.389 61.557 62.100 -0.256 0.000 1.025 533 T CB 0.986 69.742 68.868 -0.186 0.000 1.441 533 T HN 1.743 nan 8.240 nan 0.000 0.504 534 A N -0.336 122.403 122.820 -0.136 0.000 2.832 534 A HA -0.015 4.305 4.320 -0.000 0.000 0.280 534 A C 0.383 178.012 177.584 0.075 0.000 1.464 534 A CA 0.679 52.714 52.037 -0.003 0.000 0.804 534 A CB -2.687 16.370 19.000 0.094 0.000 1.020 534 A HN 1.371 nan 8.150 nan 0.000 0.563 535 V N 0.634 120.534 119.914 -0.024 0.000 2.607 535 V HA 0.520 4.640 4.120 -0.000 0.000 0.289 535 V C 0.931 177.089 176.094 0.107 0.000 1.053 535 V CA 0.240 62.564 62.300 0.039 0.000 0.996 535 V CB 1.748 33.589 31.823 0.030 0.000 0.995 535 V HN 0.592 nan 8.190 nan 0.000 0.476 536 S N 4.773 120.549 115.700 0.127 0.000 2.565 536 S HA 0.717 5.187 4.470 -0.000 0.000 0.290 536 S C -0.857 173.752 174.600 0.015 0.000 1.150 536 S CA -0.512 57.759 58.200 0.118 0.000 1.058 536 S CB 1.482 64.726 63.200 0.074 0.000 1.032 536 S HN 0.531 nan 8.310 nan 0.000 0.510 537 L N 2.388 123.596 121.223 -0.024 0.000 2.436 537 L HA 0.666 5.006 4.340 -0.000 0.000 0.268 537 L C -0.878 175.979 176.870 -0.021 0.000 0.974 537 L CA -0.155 54.602 54.840 -0.138 0.000 0.826 537 L CB 1.781 43.679 42.059 -0.267 0.000 1.291 537 L HN 0.704 nan 8.230 nan 0.000 0.406 538 S N 2.880 118.567 115.700 -0.023 0.000 2.532 538 S HA 0.692 5.162 4.470 -0.000 0.000 0.299 538 S C -0.942 173.671 174.600 0.021 0.000 1.105 538 S CA -0.259 57.958 58.200 0.028 0.000 1.018 538 S CB 1.390 64.619 63.200 0.048 0.000 1.021 538 S HN 0.749 nan 8.310 nan 0.000 0.483 539 S N 2.136 117.829 115.700 -0.012 0.000 2.482 539 S HA 0.343 4.813 4.470 -0.000 0.000 0.303 539 S C 0.527 175.079 174.600 -0.080 0.000 1.091 539 S CA -0.676 57.505 58.200 -0.031 0.000 1.057 539 S CB 1.071 64.163 63.200 -0.180 0.000 1.031 539 S HN 0.861 nan 8.310 nan 0.000 0.485 540 D N 3.184 123.575 120.400 -0.015 0.000 2.363 540 D HA 0.228 4.868 4.640 -0.000 0.000 0.220 540 D C 0.438 176.641 176.300 -0.160 0.000 0.994 540 D CA 0.373 54.354 54.000 -0.032 0.000 0.890 540 D CB 0.005 40.863 40.800 0.097 0.000 0.906 540 D HN 0.517 nan 8.370 nan 0.000 0.530 541 A N -0.440 122.276 122.820 -0.174 0.000 2.593 541 A HA 0.568 4.888 4.320 -0.000 0.000 0.290 541 A C -0.767 176.616 177.584 -0.334 0.000 1.126 541 A CA -1.078 50.754 52.037 -0.342 0.000 0.695 541 A CB 0.529 19.360 19.000 -0.281 0.000 1.290 541 A HN 0.143 nan 8.150 nan 0.000 0.414 542 F N -0.549 119.258 119.950 -0.238 0.000 2.496 542 F HA 0.666 5.193 4.527 -0.000 0.000 0.344 542 F C -0.723 174.987 175.800 -0.151 0.000 1.155 542 F CA -1.163 56.665 58.000 -0.287 0.000 1.302 542 F CB -0.272 38.587 39.000 -0.235 0.000 1.159 542 F HN 0.242 nan 8.300 nan 0.000 0.595 543 F N 3.853 124.001 119.950 0.330 0.000 2.472 543 F HA 0.289 4.816 4.527 -0.000 0.000 0.364 543 F C -1.297 174.658 175.800 0.259 0.000 1.090 543 F CA -2.590 55.551 58.000 0.235 0.000 1.188 543 F CB 0.231 39.329 39.000 0.163 0.000 1.105 543 F HN 0.372 nan 8.300 nan 0.000 0.536 544 P HA -0.027 nan 4.420 nan 0.000 0.224 544 P C -0.311 176.638 177.300 -0.585 0.000 1.157 544 P CA 1.168 64.276 63.100 0.013 0.000 0.799 544 P CB 0.467 32.260 31.700 0.154 0.000 0.809 545 F N -0.973 119.096 119.950 0.198 0.000 2.613 545 F HA 0.400 4.927 4.527 -0.000 0.000 0.314 545 F C 1.750 177.585 175.800 0.059 0.000 1.075 545 F CA -1.074 56.992 58.000 0.109 0.000 0.945 545 F CB 1.048 40.091 39.000 0.071 0.000 1.310 545 F HN -0.367 nan 8.300 nan 0.000 0.467 546 R N -0.330 120.292 120.500 0.203 0.000 2.280 546 R HA -0.056 4.284 4.340 -0.000 0.000 0.207 546 R C 0.749 177.063 176.300 0.024 0.000 1.043 546 R CA 1.473 57.619 56.100 0.076 0.000 1.006 546 R CB -0.659 29.679 30.300 0.064 0.000 0.885 546 R HN 0.652 nan 8.270 nan 0.000 0.467 547 D N 0.942 121.387 120.400 0.074 0.000 2.228 547 D HA -0.226 4.414 4.640 -0.000 0.000 0.203 547 D C 0.991 177.256 176.300 -0.058 0.000 0.988 547 D CA 1.114 55.118 54.000 0.007 0.000 0.864 547 D CB -0.414 40.390 40.800 0.007 0.000 0.928 547 D HN 0.260 nan 8.370 nan 0.000 0.469 548 N N 0.291 118.916 118.700 -0.124 0.000 2.080 548 N HA -0.128 4.612 4.740 -0.000 0.000 0.189 548 N C 2.063 177.384 175.510 -0.316 0.000 1.036 548 N CA 1.561 54.434 53.050 -0.294 0.000 0.846 548 N CB -0.402 37.662 38.487 -0.705 0.000 1.015 548 N HN 0.272 nan 8.380 nan 0.000 0.423 549 V N 1.613 121.332 119.914 -0.325 0.000 2.759 549 V HA -0.125 3.995 4.120 -0.000 0.000 0.256 549 V C 1.273 177.299 176.094 -0.114 0.000 1.080 549 V CA 1.749 63.920 62.300 -0.215 0.000 1.101 549 V CB -0.317 31.419 31.823 -0.144 0.000 0.698 549 V HN 0.104 nan 8.190 nan 0.000 0.477 550 D N 0.119 120.466 120.400 -0.088 0.000 2.213 550 D HA -0.081 4.559 4.640 -0.000 0.000 0.205 550 D C 2.209 178.483 176.300 -0.043 0.000 0.961 550 D CA 1.100 55.068 54.000 -0.053 0.000 0.853 550 D CB 0.023 40.801 40.800 -0.037 0.000 0.967 550 D HN 0.434 nan 8.370 nan 0.000 0.496 551 R N 1.552 122.026 120.500 -0.043 0.000 2.075 551 R HA 0.073 4.413 4.340 -0.000 0.000 0.226 551 R C 1.984 178.302 176.300 0.031 0.000 1.114 551 R CA 1.515 57.609 56.100 -0.009 0.000 0.972 551 R CB -0.746 29.554 30.300 -0.001 0.000 0.869 551 R HN -0.004 nan 8.270 nan 0.000 0.437 552 A N 1.052 123.890 122.820 0.029 0.000 1.865 552 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 552 A C 2.077 179.693 177.584 0.053 0.000 1.191 552 A CA 2.104 54.206 52.037 0.107 0.000 0.623 552 A CB -0.671 18.312 19.000 -0.029 0.000 0.826 552 A HN 0.337 nan 8.150 nan 0.000 0.444 553 K N 0.171 120.559 120.400 -0.021 0.000 2.113 553 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 553 K C 2.011 178.583 176.600 -0.046 0.000 1.047 553 K CA 1.804 58.061 56.287 -0.050 0.000 0.928 553 K CB -0.341 32.122 32.500 -0.061 0.000 0.716 553 K HN 0.512 nan 8.250 nan 0.000 0.446 554 R N -0.555 119.928 120.500 -0.029 0.000 2.193 554 R HA -0.056 4.284 4.340 -0.000 0.000 0.229 554 R C 1.188 177.463 176.300 -0.041 0.000 1.110 554 R CA 1.029 57.110 56.100 -0.031 0.000 0.988 554 R CB -0.213 30.076 30.300 -0.019 0.000 0.871 554 R HN 0.189 nan 8.270 nan 0.000 0.458 555 I N -0.144 120.404 120.570 -0.036 0.000 3.889 555 I HA 0.240 4.410 4.170 -0.000 0.000 0.332 555 I C 0.529 176.581 176.117 -0.109 0.000 1.493 555 I CA -0.022 61.234 61.300 -0.074 0.000 1.158 555 I CB 0.279 38.214 38.000 -0.109 0.000 1.117 555 I HN 0.296 nan 8.210 nan 0.000 0.411 556 G N 0.726 109.458 108.800 -0.113 0.000 2.137 556 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.237 556 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.237 556 G C 0.269 175.091 174.900 -0.130 0.000 1.002 556 G CA 0.241 45.246 45.100 -0.157 0.000 0.702 556 G HN 0.281 nan 8.290 nan 0.000 0.515 557 V N 0.302 120.175 119.914 -0.068 0.000 2.614 557 V HA 0.409 4.529 4.120 -0.000 0.000 0.291 557 V C 1.224 177.177 176.094 -0.234 0.000 1.049 557 V CA 1.313 63.561 62.300 -0.086 0.000 1.038 557 V CB 1.709 33.522 31.823 -0.018 0.000 0.980 557 V HN 0.530 nan 8.190 nan 0.000 0.481 558 Q N 2.739 122.280 119.800 -0.432 0.000 2.126 558 Q HA 0.289 4.629 4.340 -0.000 0.000 0.233 558 Q C -1.000 174.420 176.000 -0.966 0.000 0.788 558 Q CA 0.050 55.388 55.803 -0.775 0.000 0.968 558 Q CB 0.795 28.862 28.738 -1.119 0.000 1.163 558 Q HN 0.672 nan 8.270 nan 0.000 0.471 559 F N 0.914 120.826 119.950 -0.064 0.000 2.536 559 F HA 0.545 5.072 4.527 -0.000 0.000 0.322 559 F C -0.498 175.264 175.800 -0.063 0.000 1.144 559 F CA -0.768 57.184 58.000 -0.080 0.000 0.924 559 F CB 1.345 40.274 39.000 -0.118 0.000 1.181 559 F HN -0.135 nan 8.300 nan 0.000 0.438 560 I N 3.343 123.982 120.570 0.114 0.000 2.608 560 I HA 0.621 4.791 4.170 -0.000 0.000 0.295 560 I C -1.268 174.920 176.117 0.119 0.000 1.049 560 I CA -1.230 60.137 61.300 0.111 0.000 1.063 560 I CB 2.486 40.579 38.000 0.154 0.000 1.248 560 I HN 0.356 nan 8.210 nan 0.000 0.424 561 V N 5.665 125.654 119.914 0.126 0.000 2.577 561 V HA 0.939 5.059 4.120 -0.000 0.000 0.303 561 V C -0.903 175.222 176.094 0.052 0.000 1.042 561 V CA 0.017 62.404 62.300 0.146 0.000 0.872 561 V CB 1.467 33.467 31.823 0.294 0.000 0.998 561 V HN 0.904 nan 8.190 nan 0.000 0.423 562 A N 8.052 130.879 122.820 0.011 0.000 2.604 562 A HA 0.977 5.297 4.320 -0.000 0.000 0.295 562 A C -3.256 174.293 177.584 -0.059 0.000 1.067 562 A CA -1.378 50.569 52.037 -0.150 0.000 0.683 562 A CB 2.337 20.993 19.000 -0.572 0.000 1.281 562 A HN 0.606 nan 8.150 nan 0.000 0.407 563 P HA 0.291 nan 4.420 nan 0.000 0.274 563 P C 0.171 177.362 177.300 -0.181 0.000 1.237 563 P CA 0.157 63.189 63.100 -0.113 0.000 0.793 563 P CB 1.158 32.780 31.700 -0.130 0.000 0.977 564 S N -0.145 115.363 115.700 -0.320 0.000 2.666 564 S HA 0.718 5.188 4.470 -0.000 0.000 0.279 564 S C 1.039 175.410 174.600 -0.383 0.000 1.149 564 S CA 0.165 57.979 58.200 -0.642 0.000 1.020 564 S CB 0.582 63.332 63.200 -0.751 0.000 1.127 564 S HN 0.784 nan 8.310 nan 0.000 0.537 565 G N -0.555 107.922 108.800 -0.539 0.000 2.551 565 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.186 565 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.186 565 G C 0.162 174.457 174.900 -1.008 0.000 1.002 565 G CA 0.121 44.868 45.100 -0.589 0.000 0.723 565 G HN 1.092 nan 8.290 nan 0.000 0.481 566 S N 0.391 115.299 115.700 -1.319 0.000 2.603 566 S HA 0.636 5.106 4.470 -0.000 0.000 0.268 566 S C 1.671 175.966 174.600 -0.508 0.000 1.317 566 S CA 0.901 58.435 58.200 -1.109 0.000 1.012 566 S CB 1.340 64.067 63.200 -0.787 0.000 0.926 566 S HN 1.492 nan 8.310 nan 0.000 0.539 567 A N 2.391 125.001 122.820 -0.350 0.000 2.238 567 A HA 0.458 4.778 4.320 -0.000 0.000 0.208 567 A C 1.610 179.090 177.584 -0.173 0.000 1.177 567 A CA 0.782 52.695 52.037 -0.208 0.000 0.804 567 A CB -0.570 18.344 19.000 -0.142 0.000 0.823 567 A HN 1.073 nan 8.150 nan 0.000 0.482 568 A N -0.757 121.934 122.820 -0.216 0.000 2.387 568 A HA 0.265 4.585 4.320 -0.000 0.000 0.234 568 A C 1.133 178.668 177.584 -0.081 0.000 1.253 568 A CA 0.517 52.461 52.037 -0.156 0.000 0.894 568 A CB -0.166 18.684 19.000 -0.251 0.000 0.963 568 A HN 0.282 nan 8.150 nan 0.000 0.508 569 D N 0.883 121.220 120.400 -0.106 0.000 2.126 569 D HA -0.213 4.426 4.640 -0.000 0.000 0.190 569 D C 1.768 178.114 176.300 0.076 0.000 1.001 569 D CA 1.673 55.675 54.000 0.004 0.000 0.841 569 D CB -0.122 40.635 40.800 -0.071 0.000 0.949 569 D HN 0.591 nan 8.370 nan 0.000 0.446 570 E N -0.068 120.144 120.200 0.020 0.000 2.049 570 E HA -0.171 4.179 4.350 -0.000 0.000 0.198 570 E C 2.263 178.879 176.600 0.027 0.000 1.007 570 E CA 0.983 57.396 56.400 0.022 0.000 0.809 570 E CB -0.116 29.585 29.700 0.001 0.000 0.749 570 E HN 0.078 nan 8.360 nan 0.000 0.450 571 V N 0.712 120.637 119.914 0.019 0.000 2.392 571 V HA -0.231 3.889 4.120 -0.000 0.000 0.249 571 V C 2.329 178.451 176.094 0.046 0.000 1.059 571 V CA 1.322 63.638 62.300 0.028 0.000 1.051 571 V CB -0.208 31.631 31.823 0.025 0.000 0.658 571 V HN 0.141 nan 8.190 nan 0.000 0.455 572 V N -0.397 119.559 119.914 0.071 0.000 2.453 572 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 572 V C 2.097 178.239 176.094 0.081 0.000 1.048 572 V CA 1.798 64.164 62.300 0.111 0.000 1.049 572 V CB -0.397 31.559 31.823 0.221 0.000 0.672 572 V HN 0.450 nan 8.190 nan 0.000 0.457 573 I N -0.401 120.208 120.570 0.065 0.000 2.315 573 I HA -0.150 4.020 4.170 -0.000 0.000 0.248 573 I C 2.643 178.760 176.117 -0.000 0.000 1.117 573 I CA 1.135 62.438 61.300 0.005 0.000 1.404 573 I CB -0.318 37.681 38.000 -0.001 0.000 1.071 573 I HN 0.288 nan 8.210 nan 0.000 0.419 574 E N 1.051 121.257 120.200 0.011 0.000 2.072 574 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 574 E C 2.372 178.972 176.600 -0.001 0.000 0.985 574 E CA 1.337 57.739 56.400 0.003 0.000 0.801 574 E CB -0.251 29.454 29.700 0.008 0.000 0.750 574 E HN 0.442 nan 8.360 nan 0.000 0.452 575 A N 0.667 123.491 122.820 0.006 0.000 1.948 575 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 575 A C 2.627 180.200 177.584 -0.018 0.000 1.177 575 A CA 1.699 53.733 52.037 -0.003 0.000 0.636 575 A CB -0.938 18.063 19.000 0.002 0.000 0.815 575 A HN 0.358 nan 8.150 nan 0.000 0.449 576 C N -0.744 118.546 119.300 -0.017 0.000 2.466 576 C HA -0.043 4.417 4.460 -0.000 0.000 0.278 576 C C 2.637 177.606 174.990 -0.036 0.000 1.288 576 C CA 0.908 59.907 59.018 -0.031 0.000 1.722 576 C CB -1.423 26.300 27.740 -0.028 0.000 2.017 576 C HN 0.642 nan 8.230 nan 0.000 0.488 577 N N 1.042 119.726 118.700 -0.027 0.000 2.137 577 N HA -0.159 4.581 4.740 -0.000 0.000 0.190 577 N C 1.787 177.281 175.510 -0.026 0.000 1.017 577 N CA 1.882 54.918 53.050 -0.024 0.000 0.859 577 N CB -0.446 38.031 38.487 -0.017 0.000 1.002 577 N HN 0.797 nan 8.380 nan 0.000 0.428 578 E N 0.497 120.683 120.200 -0.025 0.000 2.075 578 E HA -0.015 4.335 4.350 -0.000 0.000 0.190 578 E C 1.748 178.326 176.600 -0.036 0.000 0.969 578 E CA 0.345 56.730 56.400 -0.026 0.000 0.815 578 E CB -0.585 29.103 29.700 -0.019 0.000 0.776 578 E HN 0.212 nan 8.360 nan 0.000 0.457 579 L N 1.058 122.256 121.223 -0.042 0.000 2.633 579 L HA 0.086 4.426 4.340 -0.000 0.000 0.235 579 L C 1.107 177.933 176.870 -0.073 0.000 1.163 579 L CA 0.638 55.444 54.840 -0.055 0.000 0.859 579 L CB -0.815 41.209 42.059 -0.060 0.000 0.973 579 L HN 0.512 nan 8.230 nan 0.000 0.451 580 G N 1.426 110.186 108.800 -0.067 0.000 2.298 580 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.287 580 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.287 580 G C -0.153 174.675 174.900 -0.121 0.000 1.075 580 G CA -0.105 44.948 45.100 -0.080 0.000 0.960 580 G HN 0.326 nan 8.290 nan 0.000 0.502 581 I N 0.375 120.879 120.570 -0.109 0.000 2.474 581 I HA 0.328 4.498 4.170 -0.000 0.000 0.294 581 I C 0.516 176.585 176.117 -0.079 0.000 1.005 581 I CA -0.741 60.473 61.300 -0.144 0.000 1.113 581 I CB 2.031 39.961 38.000 -0.117 0.000 1.289 581 I HN 0.060 nan 8.210 nan 0.000 0.436 582 T N 6.958 121.482 114.554 -0.051 0.000 2.729 582 T HA 0.327 4.676 4.350 -0.000 0.000 0.296 582 T C -0.418 174.313 174.700 0.051 0.000 0.928 582 T CA -0.172 61.961 62.100 0.056 0.000 1.045 582 T CB 0.457 69.455 68.868 0.216 0.000 0.902 582 T HN 0.174 nan 8.240 nan 0.000 0.500 583 L N 5.894 127.118 121.223 0.002 0.000 2.317 583 L HA 0.671 5.011 4.340 -0.000 0.000 0.281 583 L C -1.029 175.810 176.870 -0.053 0.000 1.024 583 L CA -0.579 54.241 54.840 -0.033 0.000 0.810 583 L CB 0.824 42.818 42.059 -0.109 0.000 1.240 583 L HN 0.588 nan 8.230 nan 0.000 0.427 584 I N 5.129 125.695 120.570 -0.008 0.000 2.410 584 I HA 0.332 4.502 4.170 -0.000 0.000 0.286 584 I C -0.746 175.419 176.117 0.078 0.000 1.009 584 I CA -0.720 60.611 61.300 0.052 0.000 1.111 584 I CB 1.185 39.300 38.000 0.190 0.000 1.262 584 I HN 0.535 nan 8.210 nan 0.000 0.443 585 H N 3.660 122.750 119.070 0.032 0.000 2.472 585 H HA 0.634 5.190 4.556 -0.000 0.000 0.335 585 H C 0.061 175.377 175.328 -0.021 0.000 1.136 585 H CA -0.440 55.603 56.048 -0.009 0.000 1.264 585 H CB 2.052 31.801 29.762 -0.021 0.000 1.486 585 H HN 0.662 nan 8.280 nan 0.000 0.517 586 T N -0.891 113.706 114.554 0.072 0.000 2.838 586 T HA 0.320 4.670 4.350 -0.000 0.000 0.292 586 T C 0.185 174.848 174.700 -0.061 0.000 1.113 586 T CA -1.044 61.047 62.100 -0.015 0.000 1.008 586 T CB 1.313 70.149 68.868 -0.055 0.000 1.259 586 T HN 0.416 nan 8.240 nan 0.000 0.520 587 N N 0.571 119.228 118.700 -0.072 0.000 2.458 587 N HA 0.278 5.018 4.740 -0.000 0.000 0.274 587 N C -1.027 174.426 175.510 -0.095 0.000 1.242 587 N CA -0.205 52.796 53.050 -0.081 0.000 0.904 587 N CB 0.527 38.973 38.487 -0.067 0.000 1.206 587 N HN 0.481 nan 8.380 nan 0.000 0.510 588 L N 0.878 122.035 121.223 -0.110 0.000 2.433 588 L HA 0.359 4.699 4.340 -0.000 0.000 0.256 588 L C -0.022 176.752 176.870 -0.161 0.000 1.063 588 L CA -0.536 54.228 54.840 -0.126 0.000 0.922 588 L CB 0.659 42.642 42.059 -0.126 0.000 1.238 588 L HN -0.061 nan 8.230 nan 0.000 0.466 589 R N 3.344 123.725 120.500 -0.198 0.000 2.543 589 R HA 0.410 4.750 4.340 -0.000 0.000 0.277 589 R C -0.426 175.718 176.300 -0.260 0.000 1.074 589 R CA -0.126 55.787 56.100 -0.313 0.000 1.076 589 R CB 0.575 30.605 30.300 -0.450 0.000 0.993 589 R HN 0.758 nan 8.270 nan 0.000 0.459 590 L N 5.307 126.381 121.223 -0.247 0.000 3.209 590 L HA 0.299 4.639 4.340 -0.000 0.000 0.279 590 L C -0.627 176.248 176.870 0.008 0.000 1.301 590 L CA -0.599 54.163 54.840 -0.129 0.000 1.004 590 L CB 0.072 42.059 42.059 -0.120 0.000 1.402 590 L HN 0.468 nan 8.230 nan 0.000 0.577 591 F N 0.522 120.417 119.950 -0.093 0.000 2.602 591 F HA 0.132 4.659 4.527 -0.000 0.000 0.367 591 F C 0.754 176.501 175.800 -0.089 0.000 1.126 591 F CA -0.109 57.819 58.000 -0.119 0.000 1.321 591 F CB -0.023 38.918 39.000 -0.098 0.000 1.094 591 F HN 0.143 nan 8.300 nan 0.000 0.594 592 H N 3.011 121.992 119.070 -0.150 0.000 2.934 592 H HA 0.449 5.005 4.556 -0.000 0.000 0.340 592 H C -1.173 173.949 175.328 -0.343 0.000 1.008 592 H CA -0.404 55.548 56.048 -0.159 0.000 1.317 592 H CB 0.563 30.274 29.762 -0.085 0.000 1.670 592 H HN 0.549 nan 8.280 nan 0.000 0.516 593 H N 0.000 118.926 119.070 -0.241 0.000 2.539 593 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 593 H CA 0.000 55.903 56.048 -0.241 0.000 1.023 593 H CB 0.000 29.695 29.762 -0.112 0.000 1.292 593 H HN 0.000 nan 8.280 nan 0.000 0.496