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 2iu0_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 0.000 176.306 176.300 0.009 0.000 0.893 4 R CA 0.000 56.108 56.100 0.013 0.000 0.921 4 R CB 0.000 30.314 30.300 0.024 0.000 0.687 5 Q N 2.145 121.948 119.800 0.005 0.000 2.373 5 Q HA 0.322 4.662 4.340 0.000 0.000 0.255 5 Q C -0.598 175.402 176.000 0.000 0.000 0.980 5 Q CA -0.404 55.398 55.803 -0.001 0.000 0.882 5 Q CB 1.200 29.933 28.738 -0.007 0.000 1.249 5 Q HN 0.437 nan 8.270 nan 0.000 0.438 6 Q N 1.558 121.355 119.800 -0.005 0.000 2.382 6 Q HA 0.351 4.691 4.340 0.000 0.000 0.229 6 Q C -0.216 175.774 176.000 -0.016 0.000 1.006 6 Q CA -0.286 55.514 55.803 -0.005 0.000 0.916 6 Q CB 0.871 29.605 28.738 -0.006 0.000 1.235 6 Q HN 0.596 nan 8.270 nan 0.000 0.512 7 L N -0.319 120.894 121.223 -0.017 0.000 2.421 7 L HA 0.847 5.187 4.340 0.000 0.000 0.267 7 L C -0.491 176.356 176.870 -0.040 0.000 1.036 7 L CA -1.102 53.720 54.840 -0.029 0.000 0.829 7 L CB 1.205 43.248 42.059 -0.026 0.000 1.437 7 L HN 0.648 nan 8.230 nan 0.000 0.488 8 A N 1.381 124.172 122.820 -0.049 0.000 2.466 8 A HA 0.569 4.889 4.320 0.000 0.000 0.284 8 A C -1.576 175.979 177.584 -0.048 0.000 1.049 8 A CA -0.301 51.702 52.037 -0.056 0.000 0.760 8 A CB 1.337 20.280 19.000 -0.096 0.000 1.274 8 A HN 0.402 nan 8.150 nan 0.000 0.412 9 L N 2.821 124.023 121.223 -0.035 0.000 2.322 9 L HA 0.906 5.246 4.340 0.000 0.000 0.279 9 L C -1.337 175.523 176.870 -0.016 0.000 1.036 9 L CA -0.554 54.264 54.840 -0.036 0.000 0.807 9 L CB 1.194 43.223 42.059 -0.050 0.000 1.226 9 L HN 0.556 nan 8.230 nan 0.000 0.433 10 L N 4.031 125.244 121.223 -0.016 0.000 2.436 10 L HA 0.691 5.031 4.340 0.000 0.000 0.268 10 L C -0.534 176.340 176.870 0.006 0.000 0.974 10 L CA -0.162 54.682 54.840 0.007 0.000 0.826 10 L CB 2.019 44.080 42.059 0.003 0.000 1.291 10 L HN 0.589 nan 8.230 nan 0.000 0.406 11 S N 2.379 118.091 115.700 0.020 0.000 2.536 11 S HA 0.727 5.197 4.470 0.000 0.000 0.246 11 S C -1.250 173.372 174.600 0.036 0.000 1.077 11 S CA -0.492 57.719 58.200 0.019 0.000 1.091 11 S CB 0.776 63.979 63.200 0.005 0.000 1.148 11 S HN 0.642 nan 8.310 nan 0.000 0.447 12 V N 2.238 122.181 119.914 0.048 0.000 2.876 12 V HA 0.780 4.900 4.120 0.000 0.000 0.312 12 V C 0.846 176.980 176.094 0.067 0.000 1.085 12 V CA -0.355 61.986 62.300 0.068 0.000 0.945 12 V CB 1.453 33.337 31.823 0.102 0.000 1.017 12 V HN 0.597 nan 8.190 nan 0.000 0.428 13 S N 1.377 117.129 115.700 0.087 0.000 2.371 13 S HA 0.036 4.506 4.470 0.000 0.000 0.221 13 S C 0.907 175.561 174.600 0.089 0.000 1.036 13 S CA 1.217 59.471 58.200 0.090 0.000 0.965 13 S CB -0.189 63.111 63.200 0.167 0.000 0.845 13 S HN 1.014 nan 8.310 nan 0.000 0.475 14 E N 1.080 121.344 120.200 0.107 0.000 2.089 14 E HA 0.290 4.640 4.350 0.000 0.000 0.284 14 E C -0.153 176.511 176.600 0.107 0.000 1.023 14 E CA -0.006 56.452 56.400 0.097 0.000 0.819 14 E CB 1.016 30.767 29.700 0.085 0.000 1.076 14 E HN 0.021 nan 8.360 nan 0.000 0.396 15 K N 2.902 123.357 120.400 0.091 0.000 2.404 15 K HA 0.334 4.654 4.320 0.000 0.000 0.194 15 K C -0.093 176.579 176.600 0.120 0.000 1.023 15 K CA 0.348 56.695 56.287 0.099 0.000 1.094 15 K CB 0.418 32.953 32.500 0.058 0.000 0.841 15 K HN 0.509 nan 8.250 nan 0.000 0.523 16 A N 0.815 123.709 122.820 0.123 0.000 2.537 16 A HA 0.388 4.708 4.320 0.000 0.000 0.260 16 A C 1.375 179.091 177.584 0.220 0.000 1.082 16 A CA 0.791 52.901 52.037 0.122 0.000 0.765 16 A CB -0.885 18.162 19.000 0.077 0.000 1.019 16 A HN 0.561 nan 8.150 nan 0.000 0.507 17 G N 1.495 110.392 108.800 0.162 0.000 2.184 17 G HA2 -0.274 3.686 3.960 0.000 0.000 0.264 17 G HA3 -0.274 3.686 3.960 0.000 0.000 0.264 17 G C 0.838 175.750 174.900 0.021 0.000 0.975 17 G CA 0.863 46.072 45.100 0.182 0.000 0.642 17 G HN 1.642 nan 8.290 nan 0.000 0.536 18 L N 1.032 122.250 121.223 -0.007 0.000 1.970 18 L HA 0.021 4.361 4.340 0.000 0.000 0.212 18 L C 2.830 179.629 176.870 -0.119 0.000 1.071 18 L CA 2.939 57.667 54.840 -0.186 0.000 0.751 18 L CB -1.100 40.944 42.059 -0.025 0.000 0.889 18 L HN 0.304 nan 8.230 nan 0.000 0.432 19 V N 0.191 120.078 119.914 -0.044 0.000 2.220 19 V HA -0.370 3.750 4.120 0.000 0.000 0.250 19 V C 2.760 178.834 176.094 -0.033 0.000 1.056 19 V CA 2.234 64.513 62.300 -0.034 0.000 1.016 19 V CB -0.875 30.941 31.823 -0.012 0.000 0.639 19 V HN 0.659 nan 8.190 nan 0.000 0.446 20 E N -0.258 119.939 120.200 -0.005 0.000 2.118 20 E HA -0.253 4.097 4.350 0.000 0.000 0.195 20 E C 1.856 178.475 176.600 0.031 0.000 0.992 20 E CA 1.715 58.124 56.400 0.016 0.000 0.804 20 E CB -0.491 29.237 29.700 0.046 0.000 0.741 20 E HN 0.533 nan 8.360 nan 0.000 0.458 21 F N 0.638 120.466 119.950 -0.204 0.000 2.060 21 F HA -0.014 4.513 4.527 0.000 0.000 0.295 21 F C 2.163 177.847 175.800 -0.194 0.000 1.120 21 F CA 1.750 59.598 58.000 -0.254 0.000 1.205 21 F CB -1.087 37.540 39.000 -0.622 0.000 0.986 21 F HN 0.089 nan 8.300 nan 0.000 0.470 22 A N 0.682 123.351 122.820 -0.251 0.000 1.917 22 A HA -0.274 4.046 4.320 0.000 0.000 0.219 22 A C 2.435 179.883 177.584 -0.227 0.000 1.182 22 A CA 2.042 53.905 52.037 -0.290 0.000 0.633 22 A CB -1.011 17.896 19.000 -0.155 0.000 0.819 22 A HN 0.503 nan 8.150 nan 0.000 0.448 23 R N -0.508 119.906 120.500 -0.144 0.000 2.083 23 R HA -0.144 4.196 4.340 0.000 0.000 0.237 23 R C 2.470 178.699 176.300 -0.118 0.000 1.137 23 R CA 1.912 57.951 56.100 -0.102 0.000 0.951 23 R CB -0.428 29.837 30.300 -0.059 0.000 0.851 23 R HN 0.492 nan 8.270 nan 0.000 0.434 24 S N -0.228 115.392 115.700 -0.133 0.000 2.419 24 S HA -0.071 4.399 4.470 0.000 0.000 0.233 24 S C 1.734 176.218 174.600 -0.192 0.000 1.016 24 S CA 0.790 58.916 58.200 -0.123 0.000 0.974 24 S CB -0.065 63.094 63.200 -0.067 0.000 0.786 24 S HN 0.280 nan 8.310 nan 0.000 0.492 25 L N 2.317 123.347 121.223 -0.321 0.000 2.179 25 L HA 0.138 4.478 4.340 0.000 0.000 0.208 25 L C 2.293 179.048 176.870 -0.192 0.000 1.096 25 L CA 1.397 56.042 54.840 -0.326 0.000 0.779 25 L CB -1.040 40.725 42.059 -0.489 0.000 0.922 25 L HN 0.460 nan 8.230 nan 0.000 0.443 26 N N -0.189 118.414 118.700 -0.161 0.000 2.135 26 N HA -0.159 4.581 4.740 0.000 0.000 0.186 26 N C 1.854 177.315 175.510 -0.082 0.000 1.027 26 N CA 1.100 54.086 53.050 -0.107 0.000 0.849 26 N CB 0.220 38.652 38.487 -0.092 0.000 1.002 26 N HN 0.290 nan 8.380 nan 0.000 0.425 27 A N 1.731 124.503 122.820 -0.080 0.000 1.986 27 A HA -0.109 4.211 4.320 0.000 0.000 0.220 27 A C 2.182 179.736 177.584 -0.051 0.000 1.171 27 A CA 0.976 52.979 52.037 -0.056 0.000 0.640 27 A CB -0.635 18.335 19.000 -0.050 0.000 0.811 27 A HN 0.380 nan 8.150 nan 0.000 0.451 28 L N -2.044 119.140 121.223 -0.065 0.000 2.395 28 L HA 0.123 4.463 4.340 0.000 0.000 0.218 28 L C 1.719 178.562 176.870 -0.045 0.000 1.130 28 L CA 0.741 55.551 54.840 -0.051 0.000 0.826 28 L CB -0.425 41.598 42.059 -0.060 0.000 0.941 28 L HN 0.631 nan 8.230 nan 0.000 0.451 29 G N 0.097 108.867 108.800 -0.051 0.000 2.159 29 G HA2 -0.183 3.777 3.960 0.000 0.000 0.170 29 G HA3 -0.183 3.777 3.960 0.000 0.000 0.170 29 G C -0.030 174.844 174.900 -0.044 0.000 1.007 29 G CA -0.561 44.514 45.100 -0.041 0.000 0.672 29 G HN 0.137 nan 8.290 nan 0.000 0.507 30 L N 1.044 122.231 121.223 -0.060 0.000 2.357 30 L HA 0.667 5.007 4.340 0.000 0.000 0.273 30 L C 1.206 178.039 176.870 -0.061 0.000 1.080 30 L CA -0.452 54.352 54.840 -0.060 0.000 0.803 30 L CB 1.571 43.584 42.059 -0.078 0.000 1.174 30 L HN 0.156 nan 8.230 nan 0.000 0.443 31 G N 3.440 112.211 108.800 -0.048 0.000 2.338 31 G HA2 0.435 4.395 3.960 0.000 0.000 0.295 31 G HA3 0.435 4.395 3.960 0.000 0.000 0.295 31 G C -0.220 174.648 174.900 -0.053 0.000 1.132 31 G CA -0.587 44.486 45.100 -0.045 0.000 0.922 31 G HN 0.418 nan 8.290 nan 0.000 0.427 32 L N 3.209 124.396 121.223 -0.061 0.000 2.462 32 L HA 0.182 4.522 4.340 0.000 0.000 0.272 32 L C 0.029 176.870 176.870 -0.049 0.000 1.166 32 L CA -0.111 54.691 54.840 -0.064 0.000 0.880 32 L CB 0.395 42.412 42.059 -0.069 0.000 1.142 32 L HN 0.227 nan 8.230 nan 0.000 0.473 33 I N 2.873 123.415 120.570 -0.048 0.000 2.545 33 I HA 0.809 4.979 4.170 0.000 0.000 0.292 33 I C 0.114 176.207 176.117 -0.039 0.000 1.040 33 I CA -0.292 60.982 61.300 -0.042 0.000 1.068 33 I CB 1.591 39.562 38.000 -0.047 0.000 1.251 33 I HN 0.788 nan 8.210 nan 0.000 0.424 34 A N 3.871 126.670 122.820 -0.034 0.000 2.483 34 A HA 0.816 5.136 4.320 0.000 0.000 0.294 34 A C -1.112 176.458 177.584 -0.022 0.000 1.077 34 A CA -0.309 51.712 52.037 -0.027 0.000 0.633 34 A CB 1.744 20.730 19.000 -0.022 0.000 1.318 34 A HN 0.620 nan 8.150 nan 0.000 0.455 35 S N -2.304 113.387 115.700 -0.016 0.000 2.790 35 S HA 0.747 5.217 4.470 0.000 0.000 0.292 35 S C 0.751 175.347 174.600 -0.006 0.000 1.197 35 S CA 0.875 59.069 58.200 -0.011 0.000 0.851 35 S CB 0.576 63.770 63.200 -0.011 0.000 1.217 35 S HN 2.897 nan 8.310 nan 0.000 0.526 36 G N 1.062 109.861 108.800 -0.002 0.000 2.602 36 G HA2 -0.229 3.731 3.960 0.000 0.000 0.306 36 G HA3 -0.229 3.731 3.960 0.000 0.000 0.306 36 G C 1.045 175.944 174.900 -0.002 0.000 1.301 36 G CA 0.688 45.787 45.100 -0.001 0.000 0.974 36 G HN 1.772 nan 8.290 nan 0.000 0.547 37 G N -1.780 107.019 108.800 -0.002 0.000 2.572 37 G HA2 0.192 4.152 3.960 0.000 0.000 0.216 37 G HA3 0.192 4.152 3.960 0.000 0.000 0.216 37 G C 1.714 176.614 174.900 -0.000 0.000 1.133 37 G CA 2.018 47.117 45.100 -0.003 0.000 0.791 37 G HN 0.947 nan 8.290 nan 0.000 0.538 38 T N 1.240 115.795 114.554 0.002 0.000 2.904 38 T HA 0.125 4.475 4.350 0.000 0.000 0.267 38 T C 2.749 177.447 174.700 -0.004 0.000 1.059 38 T CA 1.198 63.300 62.100 0.004 0.000 1.137 38 T CB -0.073 68.800 68.868 0.008 0.000 0.879 38 T HN 0.340 nan 8.240 nan 0.000 0.467 39 A N 1.513 124.329 122.820 -0.007 0.000 1.843 39 A HA -0.019 4.301 4.320 0.000 0.000 0.213 39 A C 2.545 180.122 177.584 -0.011 0.000 1.202 39 A CA 1.703 53.732 52.037 -0.012 0.000 0.607 39 A CB -1.359 17.634 19.000 -0.012 0.000 0.847 39 A HN 0.380 nan 8.150 nan 0.000 0.445 40 T N 0.714 115.264 114.554 -0.008 0.000 2.649 40 T HA -0.247 4.103 4.350 0.000 0.000 0.268 40 T C 2.071 176.766 174.700 -0.007 0.000 1.036 40 T CA 2.223 64.319 62.100 -0.007 0.000 1.157 40 T CB -0.511 68.354 68.868 -0.005 0.000 0.861 40 T HN 0.620 nan 8.240 nan 0.000 0.445 41 A N 0.319 123.135 122.820 -0.006 0.000 1.968 41 A HA 0.126 4.446 4.320 0.000 0.000 0.217 41 A C 2.305 179.884 177.584 -0.009 0.000 1.169 41 A CA 0.942 52.976 52.037 -0.005 0.000 0.638 41 A CB -0.519 18.481 19.000 -0.000 0.000 0.812 41 A HN 0.486 nan 8.150 nan 0.000 0.446 42 L N -0.482 120.733 121.223 -0.013 0.000 2.049 42 L HA -0.141 4.199 4.340 0.000 0.000 0.203 42 L C 2.930 179.788 176.870 -0.021 0.000 1.074 42 L CA 1.523 56.351 54.840 -0.021 0.000 0.749 42 L CB -0.544 41.498 42.059 -0.028 0.000 0.907 42 L HN 0.528 nan 8.230 nan 0.000 0.439 43 R N -0.001 120.488 120.500 -0.019 0.000 2.075 43 R HA -0.114 4.226 4.340 0.000 0.000 0.232 43 R C 0.496 176.788 176.300 -0.014 0.000 1.126 43 R CA 1.540 57.630 56.100 -0.018 0.000 0.963 43 R CB -0.788 29.503 30.300 -0.016 0.000 0.858 43 R HN 0.185 nan 8.270 nan 0.000 0.435 44 D N 0.658 121.051 120.400 -0.012 0.000 2.652 44 D HA 0.158 4.798 4.640 0.000 0.000 0.247 44 D C 0.195 176.490 176.300 -0.009 0.000 1.232 44 D CA 0.546 54.541 54.000 -0.009 0.000 0.863 44 D CB 0.880 41.676 40.800 -0.007 0.000 1.023 44 D HN 0.490 nan 8.370 nan 0.000 0.474 45 A N -0.679 122.134 122.820 -0.012 0.000 2.704 45 A HA 0.559 4.879 4.320 0.000 0.000 0.260 45 A C 1.356 178.931 177.584 -0.014 0.000 1.144 45 A CA 0.057 52.087 52.037 -0.012 0.000 0.985 45 A CB 0.105 19.097 19.000 -0.013 0.000 1.256 45 A HN 0.187 nan 8.150 nan 0.000 0.598 46 G N -0.146 108.644 108.800 -0.015 0.000 2.165 46 G HA2 -0.148 3.812 3.960 0.000 0.000 0.226 46 G HA3 -0.148 3.812 3.960 0.000 0.000 0.226 46 G C -0.258 174.629 174.900 -0.021 0.000 1.035 46 G CA 0.324 45.414 45.100 -0.016 0.000 0.744 46 G HN 0.583 nan 8.290 nan 0.000 0.501 47 L N 0.693 121.902 121.223 -0.025 0.000 2.362 47 L HA 0.540 4.880 4.340 0.000 0.000 0.271 47 L C -1.783 175.069 176.870 -0.030 0.000 1.002 47 L CA -2.470 52.352 54.840 -0.031 0.000 0.818 47 L CB 2.483 44.519 42.059 -0.040 0.000 1.298 47 L HN -0.047 nan 8.230 nan 0.000 0.420 48 P HA 0.049 nan 4.420 nan 0.000 0.268 48 P C -0.813 176.467 177.300 -0.033 0.000 1.485 48 P CA 0.174 63.256 63.100 -0.029 0.000 1.102 48 P CB 0.857 32.539 31.700 -0.030 0.000 1.501 49 V N 5.413 125.309 119.914 -0.029 0.000 2.487 49 V HA 0.449 4.569 4.120 0.000 0.000 0.298 49 V C -0.283 175.796 176.094 -0.025 0.000 1.028 49 V CA -0.959 61.322 62.300 -0.031 0.000 0.860 49 V CB 2.059 33.863 31.823 -0.032 0.000 0.991 49 V HN 0.330 nan 8.190 nan 0.000 0.427 50 R N 4.233 124.717 120.500 -0.026 0.000 2.540 50 R HA 0.451 4.791 4.340 0.000 0.000 0.287 50 R C -0.614 175.672 176.300 -0.024 0.000 0.980 50 R CA -0.792 55.295 56.100 -0.022 0.000 0.966 50 R CB 1.486 31.774 30.300 -0.020 0.000 1.106 50 R HN 0.785 nan 8.270 nan 0.000 0.480 51 D N 0.987 121.374 120.400 -0.021 0.000 2.339 51 D HA 0.014 4.654 4.640 0.000 0.000 0.245 51 D C 1.201 177.483 176.300 -0.030 0.000 1.115 51 D CA -0.179 53.808 54.000 -0.022 0.000 0.917 51 D CB 1.674 42.465 40.800 -0.015 0.000 1.192 51 D HN 0.150 nan 8.370 nan 0.000 0.428 52 V N 2.623 122.515 119.914 -0.035 0.000 2.332 52 V HA -0.248 3.872 4.120 0.000 0.000 0.248 52 V C 2.564 178.625 176.094 -0.055 0.000 1.055 52 V CA 2.042 64.310 62.300 -0.054 0.000 1.038 52 V CB -0.915 30.875 31.823 -0.055 0.000 0.651 52 V HN 0.647 nan 8.190 nan 0.000 0.450 53 S N 0.127 115.808 115.700 -0.030 0.000 2.402 53 S HA -0.233 4.237 4.470 0.000 0.000 0.233 53 S C 1.320 175.906 174.600 -0.023 0.000 1.030 53 S CA 1.677 59.868 58.200 -0.016 0.000 1.003 53 S CB -0.634 62.569 63.200 0.005 0.000 0.813 53 S HN 0.692 nan 8.310 nan 0.000 0.477 54 D N 0.663 121.049 120.400 -0.024 0.000 2.395 54 D HA 0.189 4.829 4.640 0.000 0.000 0.250 54 D C 0.836 177.125 176.300 -0.018 0.000 1.203 54 D CA 0.231 54.221 54.000 -0.016 0.000 0.872 54 D CB 0.318 41.110 40.800 -0.013 0.000 0.941 54 D HN 0.415 nan 8.370 nan 0.000 0.504 55 L N -0.900 120.298 121.223 -0.041 0.000 3.122 55 L HA -0.044 4.296 4.340 0.000 0.000 0.296 55 L C 1.957 178.762 176.870 -0.107 0.000 1.040 55 L CA 0.431 55.244 54.840 -0.045 0.000 1.164 55 L CB 0.467 42.479 42.059 -0.077 0.000 1.990 55 L HN -0.021 nan 8.230 nan 0.000 0.579 56 T N -3.696 110.736 114.554 -0.203 0.000 3.037 56 T HA 0.134 4.484 4.350 0.000 0.000 0.251 56 T C 1.507 176.133 174.700 -0.122 0.000 1.079 56 T CA 0.675 62.493 62.100 -0.471 0.000 1.067 56 T CB 0.430 68.963 68.868 -0.558 0.000 0.948 56 T HN 0.329 nan 8.240 nan 0.000 0.496 57 G N 1.084 109.870 108.800 -0.023 0.000 2.244 57 G HA2 -0.273 3.687 3.960 0.000 0.000 0.274 57 G HA3 -0.273 3.687 3.960 0.000 0.000 0.274 57 G C -0.117 174.794 174.900 0.019 0.000 1.002 57 G CA 0.384 45.492 45.100 0.013 0.000 0.740 57 G HN 0.612 nan 8.290 nan 0.000 0.516 58 F N 1.740 121.645 119.950 -0.075 0.000 2.421 58 F HA 0.520 5.047 4.527 0.000 0.000 0.337 58 F C -1.427 174.367 175.800 -0.009 0.000 1.105 58 F CA -2.323 55.666 58.000 -0.018 0.000 1.049 58 F CB 1.733 40.734 39.000 0.002 0.000 1.139 58 F HN -0.088 nan 8.300 nan 0.000 0.479 59 P HA -0.039 nan 4.420 nan 0.000 0.263 59 P C -0.685 176.713 177.300 0.163 0.000 1.195 59 P CA 0.072 63.220 63.100 0.080 0.000 0.762 59 P CB 0.570 32.277 31.700 0.011 0.000 0.799 60 E N 4.035 124.294 120.200 0.099 0.000 3.187 60 E HA -0.003 4.347 4.350 0.000 0.000 0.297 60 E C 1.038 177.686 176.600 0.080 0.000 1.515 60 E CA 0.131 56.582 56.400 0.085 0.000 1.641 60 E CB -0.617 29.113 29.700 0.049 0.000 1.314 60 E HN 0.574 nan 8.360 nan 0.000 0.462 61 M N -1.782 117.885 119.600 0.111 0.000 2.043 61 M HA 0.055 4.535 4.480 0.000 0.000 0.272 61 M C 0.755 177.100 176.300 0.075 0.000 1.279 61 M CA 0.114 55.470 55.300 0.093 0.000 1.109 61 M CB 0.492 33.167 32.600 0.124 0.000 1.377 61 M HN 0.182 nan 8.290 nan 0.000 0.469 62 L N 0.209 121.470 121.223 0.064 0.000 4.367 62 L HA -0.272 4.068 4.340 0.000 0.000 0.424 62 L C 0.949 177.847 176.870 0.047 0.000 1.152 62 L CA 0.894 55.766 54.840 0.054 0.000 0.974 62 L CB -2.645 39.448 42.059 0.056 0.000 2.012 62 L HN 1.312 nan 8.230 nan 0.000 0.922 63 G N -1.843 106.984 108.800 0.044 0.000 2.136 63 G HA2 0.070 4.030 3.960 0.000 0.000 0.242 63 G HA3 0.070 4.030 3.960 0.000 0.000 0.242 63 G C 1.116 176.038 174.900 0.036 0.000 0.989 63 G CA 0.710 45.833 45.100 0.037 0.000 0.682 63 G HN 1.644 nan 8.290 nan 0.000 0.522 64 G N -0.930 107.895 108.800 0.041 0.000 2.424 64 G HA2 -0.168 3.792 3.960 0.000 0.000 0.207 64 G HA3 -0.168 3.792 3.960 0.000 0.000 0.207 64 G C 0.530 175.452 174.900 0.037 0.000 1.061 64 G CA 0.491 45.613 45.100 0.037 0.000 0.657 64 G HN 1.158 nan 8.290 nan 0.000 0.508 65 R N 0.400 120.924 120.500 0.040 0.000 2.538 65 R HA 0.327 4.667 4.340 0.000 0.000 0.273 65 R C 1.475 177.796 176.300 0.035 0.000 0.967 65 R CA 1.093 57.217 56.100 0.040 0.000 1.101 65 R CB 0.408 30.735 30.300 0.045 0.000 0.908 65 R HN 1.026 nan 8.270 nan 0.000 0.411 66 V N 0.113 120.043 119.914 0.027 0.000 2.348 66 V HA -0.399 3.721 4.120 0.000 0.000 0.127 66 V C 1.755 177.847 176.094 -0.002 0.000 0.718 66 V CA 2.138 64.444 62.300 0.010 0.000 1.447 66 V CB -1.977 29.845 31.823 -0.002 0.000 1.517 66 V HN 1.010 nan 8.190 nan 0.000 0.999 67 K N 1.425 121.832 120.400 0.012 0.000 2.362 67 K HA -0.113 4.207 4.320 0.000 0.000 0.200 67 K C 1.527 178.114 176.600 -0.022 0.000 1.046 67 K CA 1.814 58.105 56.287 0.006 0.000 0.952 67 K CB -0.323 32.186 32.500 0.014 0.000 0.753 67 K HN 0.816 nan 8.250 nan 0.000 0.466 68 T N -1.423 113.119 114.554 -0.020 0.000 2.990 68 T HA 0.202 4.552 4.350 0.000 0.000 0.249 68 T C 1.084 175.759 174.700 -0.041 0.000 1.039 68 T CA -0.408 61.657 62.100 -0.059 0.000 1.036 68 T CB -0.091 68.743 68.868 -0.056 0.000 0.994 68 T HN 0.084 nan 8.240 nan 0.000 0.489 69 L N 3.105 124.362 121.223 0.056 0.000 2.511 69 L HA 0.293 4.633 4.340 0.000 0.000 0.239 69 L C 0.234 177.154 176.870 0.083 0.000 1.400 69 L CA -0.132 54.799 54.840 0.153 0.000 1.226 69 L CB -0.707 41.397 42.059 0.075 0.000 1.475 69 L HN 0.418 nan 8.230 nan 0.000 0.428 70 H N 1.822 120.866 119.070 -0.044 0.000 2.679 70 H HA 0.256 4.812 4.556 0.000 0.000 0.360 70 H C -2.098 173.166 175.328 -0.107 0.000 1.105 70 H CA -1.811 54.162 56.048 -0.125 0.000 1.196 70 H CB 2.872 32.514 29.762 -0.201 0.000 1.636 70 H HN -0.069 nan 8.280 nan 0.000 0.531 71 P HA -0.221 nan 4.420 nan 0.000 0.217 71 P C 1.160 178.273 177.300 -0.310 0.000 1.148 71 P CA 1.999 64.986 63.100 -0.188 0.000 0.834 71 P CB 0.078 31.662 31.700 -0.194 0.000 0.783 72 A N -0.038 122.655 122.820 -0.213 0.000 1.873 72 A HA -0.170 4.150 4.320 0.000 0.000 0.218 72 A C 2.524 179.765 177.584 -0.573 0.000 1.193 72 A CA 2.414 53.838 52.037 -1.022 0.000 0.629 72 A CB -1.643 17.057 19.000 -0.500 0.000 0.826 72 A HN 0.097 nan 8.150 nan 0.000 0.447 73 V N -0.252 119.491 119.914 -0.285 0.000 2.216 73 V HA -0.261 3.859 4.120 0.000 0.000 0.243 73 V C 2.444 178.358 176.094 -0.299 0.000 1.044 73 V CA 2.128 64.242 62.300 -0.310 0.000 0.995 73 V CB -1.208 30.375 31.823 -0.401 0.000 0.633 73 V HN 0.677 nan 8.190 nan 0.000 0.446 74 H N 0.080 119.089 119.070 -0.101 0.000 2.456 74 H HA -0.052 4.504 4.556 0.000 0.000 0.296 74 H C 2.297 177.583 175.328 -0.069 0.000 1.079 74 H CA 1.558 57.562 56.048 -0.072 0.000 1.322 74 H CB -0.426 29.300 29.762 -0.060 0.000 1.388 74 H HN 0.479 nan 8.280 nan 0.000 0.538 75 A N 0.796 123.603 122.820 -0.022 0.000 1.873 75 A HA -0.078 4.242 4.320 0.000 0.000 0.215 75 A C 2.862 180.454 177.584 0.013 0.000 1.186 75 A CA 1.505 53.544 52.037 0.003 0.000 0.616 75 A CB -1.093 17.900 19.000 -0.012 0.000 0.823 75 A HN 0.449 nan 8.150 nan 0.000 0.442 76 G N -0.294 108.477 108.800 -0.048 0.000 2.448 76 G HA2 -0.127 3.833 3.960 0.000 0.000 0.219 76 G HA3 -0.127 3.833 3.960 0.000 0.000 0.219 76 G C 1.451 176.353 174.900 0.003 0.000 1.127 76 G CA 1.110 46.206 45.100 -0.008 0.000 0.766 76 G HN 0.500 nan 8.290 nan 0.000 0.552 77 I N -0.080 120.490 120.570 0.000 0.000 2.270 77 I HA 0.024 4.194 4.170 0.000 0.000 0.239 77 I C 2.345 178.486 176.117 0.040 0.000 1.080 77 I CA 0.626 61.939 61.300 0.021 0.000 1.383 77 I CB -0.175 37.848 38.000 0.039 0.000 1.097 77 I HN 0.045 nan 8.210 nan 0.000 0.420 78 L N 1.136 122.391 121.223 0.054 0.000 2.552 78 L HA 0.103 4.443 4.340 0.000 0.000 0.227 78 L C 1.228 178.123 176.870 0.040 0.000 1.146 78 L CA -0.464 54.406 54.840 0.051 0.000 0.858 78 L CB -0.515 41.578 42.059 0.056 0.000 0.969 78 L HN 0.143 nan 8.230 nan 0.000 0.451 79 A N 1.118 123.964 122.820 0.042 0.000 2.524 79 A HA 0.225 4.545 4.320 0.000 0.000 0.250 79 A C 0.289 177.890 177.584 0.027 0.000 1.078 79 A CA 0.111 52.174 52.037 0.042 0.000 0.761 79 A CB 0.005 19.037 19.000 0.054 0.000 1.012 79 A HN 0.306 nan 8.150 nan 0.000 0.500 80 R N 1.373 121.886 120.500 0.022 0.000 2.486 80 R HA 0.207 4.547 4.340 0.000 0.000 0.286 80 R C -0.147 176.160 176.300 0.012 0.000 0.999 80 R CA -0.601 55.505 56.100 0.010 0.000 0.993 80 R CB 0.837 31.141 30.300 0.005 0.000 1.084 80 R HN 0.820 nan 8.270 nan 0.000 0.487 81 N N 3.977 122.681 118.700 0.005 0.000 2.605 81 N HA 0.134 4.874 4.740 0.000 0.000 0.258 81 N C -1.040 174.473 175.510 0.005 0.000 1.156 81 N CA -0.158 52.897 53.050 0.007 0.000 1.008 81 N CB -0.090 38.400 38.487 0.004 0.000 1.354 81 N HN 0.447 nan 8.380 nan 0.000 0.509 82 I N -0.299 120.276 120.570 0.008 0.000 2.752 82 I HA 0.430 4.600 4.170 0.000 0.000 0.295 82 I C -1.968 174.155 176.117 0.009 0.000 1.219 82 I CA -2.213 59.091 61.300 0.007 0.000 1.030 82 I CB 2.292 40.296 38.000 0.006 0.000 1.259 82 I HN 0.023 nan 8.210 nan 0.000 0.423 83 P HA -0.257 nan 4.420 nan 0.000 0.218 83 P C 1.025 178.331 177.300 0.009 0.000 1.154 83 P CA 1.873 64.977 63.100 0.007 0.000 0.872 83 P CB 0.348 32.051 31.700 0.005 0.000 0.790 84 E N 0.288 120.494 120.200 0.010 0.000 2.033 84 E HA -0.209 4.141 4.350 0.000 0.000 0.199 84 E C 1.902 178.512 176.600 0.017 0.000 1.011 84 E CA 2.025 58.432 56.400 0.012 0.000 0.815 84 E CB -1.016 28.690 29.700 0.011 0.000 0.755 84 E HN 0.340 nan 8.360 nan 0.000 0.451 85 D N 0.004 120.417 120.400 0.021 0.000 2.097 85 D HA -0.104 4.536 4.640 0.000 0.000 0.195 85 D C 1.571 177.892 176.300 0.035 0.000 0.989 85 D CA 0.984 55.003 54.000 0.032 0.000 0.827 85 D CB -0.260 40.559 40.800 0.032 0.000 0.966 85 D HN 0.110 nan 8.370 nan 0.000 0.456 86 N N 0.709 119.425 118.700 0.027 0.000 2.149 86 N HA -0.171 4.569 4.740 0.000 0.000 0.188 86 N C 1.718 177.239 175.510 0.018 0.000 1.019 86 N CA 1.266 54.331 53.050 0.025 0.000 0.857 86 N CB -0.359 38.138 38.487 0.017 0.000 0.997 86 N HN 0.167 nan 8.380 nan 0.000 0.426 87 A N 1.818 124.646 122.820 0.013 0.000 1.841 87 A HA -0.184 4.136 4.320 0.000 0.000 0.216 87 A C 1.867 179.452 177.584 0.002 0.000 1.199 87 A CA 2.047 54.087 52.037 0.005 0.000 0.621 87 A CB -0.916 18.086 19.000 0.004 0.000 0.835 87 A HN 0.184 nan 8.150 nan 0.000 0.445 88 D N -0.573 119.834 120.400 0.012 0.000 2.190 88 D HA -0.169 4.471 4.640 0.000 0.000 0.200 88 D C 1.805 178.110 176.300 0.008 0.000 0.992 88 D CA 1.342 55.351 54.000 0.014 0.000 0.854 88 D CB -0.210 40.613 40.800 0.038 0.000 0.936 88 D HN 0.255 nan 8.370 nan 0.000 0.462 89 M N -0.124 119.495 119.600 0.033 0.000 2.476 89 M HA -0.029 4.451 4.480 0.000 0.000 0.262 89 M C 1.381 177.664 176.300 -0.028 0.000 1.079 89 M CA 0.903 56.231 55.300 0.048 0.000 1.104 89 M CB -0.726 31.929 32.600 0.091 0.000 1.409 89 M HN 0.148 nan 8.290 nan 0.000 0.467 90 N N 0.122 118.801 118.700 -0.034 0.000 2.182 90 N HA -0.104 4.636 4.740 0.000 0.000 0.186 90 N C 1.627 177.084 175.510 -0.088 0.000 1.036 90 N CA 0.517 53.538 53.050 -0.049 0.000 0.850 90 N CB 0.102 38.574 38.487 -0.026 0.000 1.010 90 N HN 0.246 nan 8.380 nan 0.000 0.432 91 K N 0.750 121.103 120.400 -0.078 0.000 2.360 91 K HA -0.148 4.172 4.320 0.000 0.000 0.201 91 K C 1.136 177.643 176.600 -0.156 0.000 1.046 91 K CA 1.185 57.420 56.287 -0.088 0.000 0.940 91 K CB 0.269 32.734 32.500 -0.058 0.000 0.748 91 K HN 0.195 nan 8.250 nan 0.000 0.465 92 Q N -0.171 119.474 119.800 -0.260 0.000 2.353 92 Q HA -0.016 4.324 4.340 0.000 0.000 0.240 92 Q C -0.349 175.246 176.000 -0.676 0.000 0.868 92 Q CA 0.405 55.884 55.803 -0.540 0.000 0.944 92 Q CB 0.542 28.806 28.738 -0.789 0.000 1.104 92 Q HN 0.322 nan 8.270 nan 0.000 0.531 93 D N -0.053 120.116 120.400 -0.385 0.000 2.760 93 D HA -0.173 4.467 4.640 0.000 0.000 0.244 93 D C -1.547 174.687 176.300 -0.109 0.000 1.123 93 D CA 0.233 54.112 54.000 -0.202 0.000 0.719 93 D CB -0.971 39.749 40.800 -0.132 0.000 1.045 93 D HN -0.033 nan 8.370 nan 0.000 0.426 94 F N 0.641 120.606 119.950 0.026 0.000 2.427 94 F HA 0.470 4.997 4.527 0.000 0.000 0.346 94 F C 1.082 176.891 175.800 0.015 0.000 1.120 94 F CA -1.058 56.958 58.000 0.026 0.000 1.033 94 F CB 1.650 40.673 39.000 0.040 0.000 1.126 94 F HN -0.187 nan 8.300 nan 0.000 0.462 95 S N 3.345 119.166 115.700 0.203 0.000 2.603 95 S HA 0.478 4.948 4.470 0.000 0.000 0.268 95 S C 0.033 174.683 174.600 0.083 0.000 1.317 95 S CA -0.674 57.588 58.200 0.103 0.000 1.012 95 S CB 0.626 63.863 63.200 0.062 0.000 0.926 95 S HN 0.378 nan 8.310 nan 0.000 0.539 96 L N 2.069 123.324 121.223 0.053 0.000 2.371 96 L HA 0.360 4.700 4.340 0.000 0.000 0.272 96 L C -0.527 176.351 176.870 0.013 0.000 1.124 96 L CA -0.727 54.134 54.840 0.036 0.000 0.816 96 L CB 0.764 42.842 42.059 0.031 0.000 1.129 96 L HN 0.317 nan 8.230 nan 0.000 0.448 97 V N 4.069 123.985 119.914 0.003 0.000 2.383 97 V HA 0.240 4.360 4.120 0.000 0.000 0.275 97 V C 0.901 176.995 176.094 -0.000 0.000 1.036 97 V CA -0.336 61.959 62.300 -0.010 0.000 0.889 97 V CB 1.288 33.097 31.823 -0.024 0.000 0.985 97 V HN 0.797 nan 8.190 nan 0.000 0.459 98 R N 3.598 124.097 120.500 -0.003 0.000 2.225 98 R HA 0.294 4.634 4.340 0.000 0.000 0.194 98 R C -0.283 176.025 176.300 0.013 0.000 0.957 98 R CA 0.494 56.597 56.100 0.005 0.000 1.042 98 R CB 0.785 31.085 30.300 0.000 0.000 1.004 98 R HN 0.543 nan 8.270 nan 0.000 0.509 99 V N 1.579 121.496 119.914 0.006 0.000 2.638 99 V HA 0.371 4.491 4.120 0.000 0.000 0.306 99 V C -0.899 175.210 176.094 0.025 0.000 1.052 99 V CA -0.815 61.501 62.300 0.027 0.000 0.885 99 V CB 2.182 34.014 31.823 0.015 0.000 0.999 99 V HN -0.168 nan 8.190 nan 0.000 0.424 100 V N 5.078 125.020 119.914 0.046 0.000 2.340 100 V HA 0.334 4.454 4.120 0.000 0.000 0.277 100 V C -0.231 175.905 176.094 0.069 0.000 1.017 100 V CA -0.563 61.757 62.300 0.033 0.000 0.820 100 V CB 1.626 33.453 31.823 0.007 0.000 1.028 100 V HN 0.615 nan 8.190 nan 0.000 0.436 101 V N 4.051 124.027 119.914 0.103 0.000 2.389 101 V HA 0.483 4.603 4.120 0.000 0.000 0.264 101 V C 0.100 176.251 176.094 0.095 0.000 1.049 101 V CA -0.135 62.265 62.300 0.167 0.000 0.932 101 V CB 0.966 32.945 31.823 0.259 0.000 1.011 101 V HN 0.984 nan 8.190 nan 0.000 0.475 102 C N 5.963 125.298 119.300 0.058 0.000 3.090 102 C HA 0.806 5.266 4.460 0.000 0.000 0.347 102 C C -1.218 173.762 174.990 -0.017 0.000 1.147 102 C CA -0.566 58.467 59.018 0.025 0.000 1.305 102 C CB 1.371 29.113 27.740 0.003 0.000 1.692 102 C HN 1.123 nan 8.230 nan 0.000 0.506 103 N N 3.857 122.568 118.700 0.018 0.000 2.484 103 N HA 0.727 5.467 4.740 0.000 0.000 0.269 103 N C -1.722 173.878 175.510 0.150 0.000 1.237 103 N CA -0.825 52.249 53.050 0.039 0.000 0.838 103 N CB 0.854 39.312 38.487 -0.048 0.000 1.593 103 N HN 0.637 nan 8.380 nan 0.000 0.485 104 L N -0.072 121.333 121.223 0.303 0.000 2.358 104 L HA 0.489 4.829 4.340 0.000 0.000 0.268 104 L C -0.645 176.352 176.870 0.212 0.000 1.032 104 L CA -1.221 53.692 54.840 0.122 0.000 0.805 104 L CB 0.667 42.598 42.059 -0.213 0.000 1.253 104 L HN 0.621 nan 8.230 nan 0.000 0.452 105 Y N 2.491 122.853 120.300 0.102 0.000 2.404 105 Y HA 0.317 4.867 4.550 0.000 0.000 0.344 105 Y C -2.111 173.915 175.900 0.211 0.000 0.995 105 Y CA -3.001 55.175 58.100 0.126 0.000 1.201 105 Y CB 0.504 39.026 38.460 0.103 0.000 1.151 105 Y HN 0.300 nan 8.280 nan 0.000 0.517 106 P HA -0.157 nan 4.420 nan 0.000 0.257 106 P C 0.352 177.503 177.300 -0.248 0.000 1.162 106 P CA 0.736 63.724 63.100 -0.185 0.000 0.762 106 P CB 0.085 31.616 31.700 -0.282 0.000 0.753 107 F N 5.067 124.893 119.950 -0.207 0.000 2.216 107 F HA -0.164 4.363 4.527 0.000 0.000 0.300 107 F C 2.064 177.674 175.800 -0.318 0.000 1.085 107 F CA 1.282 59.091 58.000 -0.318 0.000 1.326 107 F CB -0.342 38.265 39.000 -0.655 0.000 1.027 107 F HN 0.137 nan 8.300 nan 0.000 0.497 108 V N 0.277 120.055 119.914 -0.226 0.000 2.594 108 V HA -0.286 3.834 4.120 0.000 0.000 0.253 108 V C 2.247 178.143 176.094 -0.331 0.000 1.069 108 V CA 2.161 64.310 62.300 -0.250 0.000 1.082 108 V CB -0.405 31.334 31.823 -0.139 0.000 0.680 108 V HN 0.364 nan 8.190 nan 0.000 0.469 109 K N -0.912 119.255 120.400 -0.387 0.000 2.116 109 K HA -0.063 4.257 4.320 0.000 0.000 0.203 109 K C 2.165 178.582 176.600 -0.304 0.000 1.052 109 K CA 1.543 57.611 56.287 -0.365 0.000 0.952 109 K CB -0.334 31.835 32.500 -0.553 0.000 0.729 109 K HN 0.463 nan 8.250 nan 0.000 0.446 110 T N 1.292 115.610 114.554 -0.394 0.000 2.665 110 T HA -0.130 4.220 4.350 0.000 0.000 0.268 110 T C 1.814 176.262 174.700 -0.421 0.000 1.035 110 T CA 1.824 63.769 62.100 -0.258 0.000 1.151 110 T CB -0.183 68.419 68.868 -0.444 0.000 0.862 110 T HN 0.180 nan 8.240 nan 0.000 0.438 111 V N -0.537 118.954 119.914 -0.705 0.000 3.510 111 V HA 0.150 4.270 4.120 0.000 0.000 0.270 111 V C 1.758 177.637 176.094 -0.359 0.000 1.201 111 V CA 1.064 62.952 62.300 -0.686 0.000 1.166 111 V CB -0.453 30.718 31.823 -1.086 0.000 0.825 111 V HN 0.247 nan 8.190 nan 0.000 0.484 112 S N -0.431 115.113 115.700 -0.260 0.000 2.524 112 S HA 0.219 4.689 4.470 0.000 0.000 0.215 112 S C 1.020 175.564 174.600 -0.094 0.000 0.986 112 S CA 0.028 58.139 58.200 -0.147 0.000 0.911 112 S CB 0.028 63.151 63.200 -0.128 0.000 0.805 112 S HN 0.571 nan 8.310 nan 0.000 0.501 113 S N 3.749 119.393 115.700 -0.093 0.000 2.596 113 S HA 0.067 4.537 4.470 0.000 0.000 0.298 113 S C -1.277 173.301 174.600 -0.037 0.000 1.255 113 S CA -0.672 57.502 58.200 -0.043 0.000 1.083 113 S CB 0.487 63.669 63.200 -0.030 0.000 0.837 113 S HN 0.174 nan 8.310 nan 0.000 0.499 114 P HA -0.265 nan 4.420 nan 0.000 0.224 114 P C 1.201 178.493 177.300 -0.014 0.000 0.837 114 P CA 2.075 65.166 63.100 -0.015 0.000 1.060 114 P CB -0.075 31.620 31.700 -0.009 0.000 0.717 115 G N -2.425 106.368 108.800 -0.011 0.000 3.159 115 G HA2 0.156 4.116 3.960 0.000 0.000 0.232 115 G HA3 0.156 4.116 3.960 0.000 0.000 0.232 115 G C -0.001 174.896 174.900 -0.006 0.000 1.116 115 G CA -0.062 45.035 45.100 -0.006 0.000 0.767 115 G HN 0.483 nan 8.290 nan 0.000 0.547 116 V N 2.905 122.809 119.914 -0.016 0.000 2.839 116 V HA 0.219 4.339 4.120 0.000 0.000 0.296 116 V C 0.866 176.964 176.094 0.008 0.000 1.239 116 V CA 1.297 63.586 62.300 -0.017 0.000 1.349 116 V CB 0.359 32.146 31.823 -0.060 0.000 0.852 116 V HN 0.486 nan 8.190 nan 0.000 0.504 117 T N 3.393 117.961 114.554 0.024 0.000 2.949 117 T HA 0.507 4.857 4.350 0.000 0.000 0.287 117 T C 0.934 175.681 174.700 0.079 0.000 1.034 117 T CA -0.161 61.965 62.100 0.043 0.000 1.018 117 T CB 1.592 70.478 68.868 0.030 0.000 1.135 117 T HN 0.387 nan 8.240 nan 0.000 0.532 118 V N 1.785 121.743 119.914 0.074 0.000 2.255 118 V HA -0.063 4.057 4.120 0.000 0.000 0.247 118 V C -0.581 175.569 176.094 0.093 0.000 1.051 118 V CA 1.750 64.095 62.300 0.076 0.000 1.018 118 V CB -1.740 30.036 31.823 -0.078 0.000 0.641 118 V HN 0.751 nan 8.190 nan 0.000 0.445 119 P HA -0.142 nan 4.420 nan 0.000 0.215 119 P C 1.579 178.938 177.300 0.099 0.000 1.157 119 P CA 1.388 64.538 63.100 0.082 0.000 0.863 119 P CB -0.068 31.668 31.700 0.059 0.000 0.787 120 E N -0.262 119.986 120.200 0.080 0.000 2.153 120 E HA -0.148 4.202 4.350 0.000 0.000 0.194 120 E C 2.056 178.713 176.600 0.096 0.000 0.988 120 E CA 1.198 57.642 56.400 0.074 0.000 0.811 120 E CB -0.605 29.122 29.700 0.045 0.000 0.746 120 E HN 0.190 nan 8.360 nan 0.000 0.466 121 A N 1.214 124.102 122.820 0.113 0.000 1.898 121 A HA -0.113 4.207 4.320 0.000 0.000 0.216 121 A C 2.555 180.325 177.584 0.311 0.000 1.181 121 A CA 1.052 53.163 52.037 0.123 0.000 0.620 121 A CB -0.635 18.418 19.000 0.088 0.000 0.819 121 A HN 0.112 nan 8.150 nan 0.000 0.442 122 V N 0.255 120.369 119.914 0.333 0.000 2.295 122 V HA -0.235 3.885 4.120 0.000 0.000 0.246 122 V C 2.561 178.827 176.094 0.286 0.000 1.049 122 V CA 2.107 64.630 62.300 0.372 0.000 1.024 122 V CB -0.767 31.227 31.823 0.284 0.000 0.648 122 V HN 0.563 nan 8.190 nan 0.000 0.447 123 E N 0.261 120.584 120.200 0.205 0.000 2.209 123 E HA -0.215 4.135 4.350 0.000 0.000 0.196 123 E C 2.170 178.876 176.600 0.177 0.000 0.993 123 E CA 0.902 57.398 56.400 0.161 0.000 0.819 123 E CB -0.052 29.717 29.700 0.116 0.000 0.745 123 E HN 0.462 nan 8.360 nan 0.000 0.477 124 K N 0.242 120.771 120.400 0.214 0.000 2.288 124 K HA 0.021 4.341 4.320 0.000 0.000 0.201 124 K C 1.033 177.836 176.600 0.338 0.000 1.048 124 K CA 0.055 56.483 56.287 0.236 0.000 0.956 124 K CB -0.250 32.372 32.500 0.203 0.000 0.746 124 K HN 0.217 nan 8.250 nan 0.000 0.461 125 I N 3.183 123.985 120.570 0.388 0.000 2.919 125 I HA -0.148 4.022 4.170 0.000 0.000 0.299 125 I C 0.903 177.194 176.117 0.289 0.000 1.221 125 I CA 0.332 61.841 61.300 0.349 0.000 1.424 125 I CB 0.005 38.112 38.000 0.179 0.000 1.358 125 I HN 0.089 nan 8.210 nan 0.000 0.551 126 D N 6.920 127.535 120.400 0.358 0.000 2.345 126 D HA 0.085 4.725 4.640 0.000 0.000 0.247 126 D C 0.451 176.813 176.300 0.102 0.000 1.108 126 D CA -0.143 53.956 54.000 0.164 0.000 0.894 126 D CB 1.446 42.256 40.800 0.018 0.000 1.203 126 D HN 0.320 nan 8.370 nan 0.000 0.430 127 I N 2.662 123.271 120.570 0.064 0.000 3.518 127 I HA 0.050 4.220 4.170 0.000 0.000 0.260 127 I C 2.296 178.432 176.117 0.033 0.000 1.148 127 I CA 0.372 61.701 61.300 0.048 0.000 1.440 127 I CB -1.304 36.728 38.000 0.054 0.000 1.485 127 I HN 0.591 nan 8.210 nan 0.000 0.456 128 G N 1.161 109.984 108.800 0.038 0.000 2.433 128 G HA2 -0.194 3.766 3.960 0.000 0.000 0.216 128 G HA3 -0.194 3.766 3.960 0.000 0.000 0.216 128 G C 1.647 176.568 174.900 0.035 0.000 1.186 128 G CA 1.047 46.175 45.100 0.047 0.000 0.779 128 G HN 0.455 nan 8.290 nan 0.000 0.543 129 G N 0.448 109.249 108.800 0.002 0.000 2.446 129 G HA2 -0.194 3.766 3.960 0.000 0.000 0.217 129 G HA3 -0.194 3.766 3.960 0.000 0.000 0.217 129 G C 1.824 176.707 174.900 -0.028 0.000 1.168 129 G CA 1.416 46.506 45.100 -0.017 0.000 0.771 129 G HN 0.339 nan 8.290 nan 0.000 0.551 130 V N 1.777 121.655 119.914 -0.060 0.000 2.252 130 V HA -0.243 3.877 4.120 0.000 0.000 0.249 130 V C 3.374 179.463 176.094 -0.008 0.000 1.056 130 V CA 2.326 64.590 62.300 -0.059 0.000 1.022 130 V CB -1.135 30.654 31.823 -0.057 0.000 0.641 130 V HN 0.509 nan 8.190 nan 0.000 0.445 131 A N -0.322 122.513 122.820 0.026 0.000 1.940 131 A HA -0.191 4.129 4.320 0.000 0.000 0.219 131 A C 2.205 179.866 177.584 0.129 0.000 1.176 131 A CA 2.110 54.179 52.037 0.053 0.000 0.631 131 A CB -0.568 18.468 19.000 0.059 0.000 0.814 131 A HN 0.548 nan 8.150 nan 0.000 0.446 132 L N -1.020 120.286 121.223 0.139 0.000 2.027 132 L HA -0.139 4.201 4.340 0.000 0.000 0.206 132 L C 2.594 179.472 176.870 0.013 0.000 1.074 132 L CA 0.961 55.858 54.840 0.094 0.000 0.745 132 L CB -0.616 41.453 42.059 0.017 0.000 0.898 132 L HN 0.342 nan 8.230 nan 0.000 0.433 133 L N -0.445 120.759 121.223 -0.032 0.000 2.017 133 L HA -0.200 4.140 4.340 0.000 0.000 0.208 133 L C 2.975 179.715 176.870 -0.217 0.000 1.073 133 L CA 1.376 56.150 54.840 -0.110 0.000 0.745 133 L CB -0.422 41.577 42.059 -0.100 0.000 0.894 133 L HN 0.212 nan 8.230 nan 0.000 0.432 134 R N -0.298 120.106 120.500 -0.160 0.000 2.073 134 R HA -0.148 4.192 4.340 0.000 0.000 0.234 134 R C 2.397 178.668 176.300 -0.048 0.000 1.134 134 R CA 1.366 57.365 56.100 -0.169 0.000 0.952 134 R CB -0.596 29.751 30.300 0.078 0.000 0.850 134 R HN 0.358 nan 8.270 nan 0.000 0.433 135 A N 1.546 124.379 122.820 0.022 0.000 1.877 135 A HA -0.138 4.182 4.320 0.000 0.000 0.216 135 A C 2.436 180.053 177.584 0.054 0.000 1.186 135 A CA 1.812 53.892 52.037 0.071 0.000 0.620 135 A CB -0.764 18.317 19.000 0.135 0.000 0.822 135 A HN 0.407 nan 8.150 nan 0.000 0.443 136 A N -0.337 122.491 122.820 0.012 0.000 1.933 136 A HA 0.156 4.476 4.320 0.000 0.000 0.218 136 A C 2.466 180.055 177.584 0.009 0.000 1.175 136 A CA 2.143 54.185 52.037 0.008 0.000 0.628 136 A CB -0.926 18.066 19.000 -0.015 0.000 0.814 136 A HN 1.093 nan 8.150 nan 0.000 0.444 137 A N -0.365 122.391 122.820 -0.108 0.000 1.968 137 A HA -0.079 4.241 4.320 0.000 0.000 0.217 137 A C 2.087 179.814 177.584 0.238 0.000 1.169 137 A CA 1.801 53.748 52.037 -0.150 0.000 0.638 137 A CB -0.364 18.123 19.000 -0.855 0.000 0.812 137 A HN 0.585 nan 8.150 nan 0.000 0.446 138 K N -0.144 120.423 120.400 0.278 0.000 2.025 138 K HA -0.153 4.167 4.320 0.000 0.000 0.207 138 K C 0.966 177.727 176.600 0.269 0.000 1.049 138 K CA 1.580 58.108 56.287 0.401 0.000 0.933 138 K CB -0.182 32.490 32.500 0.287 0.000 0.714 138 K HN 0.374 nan 8.250 nan 0.000 0.438 139 N N 1.209 119.996 118.700 0.145 0.000 2.597 139 N HA -0.040 4.700 4.740 0.000 0.000 0.269 139 N C 0.528 176.040 175.510 0.003 0.000 1.204 139 N CA -0.179 52.891 53.050 0.033 0.000 0.947 139 N CB -0.075 38.430 38.487 0.030 0.000 1.258 139 N HN 0.344 nan 8.380 nan 0.000 0.508 140 H N -1.809 117.291 119.070 0.049 0.000 2.567 140 H HA 0.094 4.650 4.556 0.000 0.000 0.276 140 H C 1.268 176.611 175.328 0.025 0.000 1.016 140 H CA 0.755 56.823 56.048 0.032 0.000 1.186 140 H CB -0.136 29.649 29.762 0.038 0.000 1.351 140 H HN 0.292 nan 8.280 nan 0.000 0.605 141 A N 1.350 123.933 122.820 -0.395 0.000 2.070 141 A HA -0.130 4.190 4.320 0.000 0.000 0.220 141 A C 2.513 180.043 177.584 -0.090 0.000 1.159 141 A CA 1.612 53.492 52.037 -0.261 0.000 0.656 141 A CB -0.373 18.496 19.000 -0.218 0.000 0.800 141 A HN 0.497 nan 8.150 nan 0.000 0.453 142 R N -2.163 118.309 120.500 -0.048 0.000 2.562 142 R HA 0.198 4.538 4.340 0.000 0.000 0.191 142 R C -0.607 175.705 176.300 0.020 0.000 0.835 142 R CA 0.294 56.390 56.100 -0.007 0.000 1.036 142 R CB 0.502 30.798 30.300 -0.007 0.000 1.437 142 R HN 0.152 nan 8.270 nan 0.000 0.654 143 V N 2.966 122.897 119.914 0.029 0.000 2.508 143 V HA 0.156 4.276 4.120 0.000 0.000 0.281 143 V C -0.191 175.942 176.094 0.065 0.000 1.041 143 V CA 0.301 62.627 62.300 0.042 0.000 1.016 143 V CB 1.338 33.184 31.823 0.039 0.000 0.984 143 V HN 0.223 nan 8.190 nan 0.000 0.478 144 T N 5.369 119.959 114.554 0.061 0.000 2.727 144 T HA 0.316 4.666 4.350 0.000 0.000 0.298 144 T C -0.242 174.502 174.700 0.073 0.000 0.942 144 T CA -0.023 62.123 62.100 0.077 0.000 0.997 144 T CB 1.085 70.008 68.868 0.092 0.000 0.917 144 T HN 0.475 nan 8.240 nan 0.000 0.487 145 V N 5.719 125.663 119.914 0.051 0.000 2.398 145 V HA 0.647 4.767 4.120 0.000 0.000 0.286 145 V C -0.759 175.340 176.094 0.009 0.000 1.026 145 V CA -0.415 61.896 62.300 0.019 0.000 0.868 145 V CB 1.265 33.066 31.823 -0.037 0.000 0.982 145 V HN 0.668 nan 8.190 nan 0.000 0.443 146 V N 6.762 126.692 119.914 0.026 0.000 2.443 146 V HA 0.300 4.420 4.120 0.000 0.000 0.293 146 V C 0.506 176.556 176.094 -0.073 0.000 1.021 146 V CA -0.265 62.025 62.300 -0.016 0.000 0.848 146 V CB 1.229 33.087 31.823 0.059 0.000 0.998 146 V HN 1.087 nan 8.190 nan 0.000 0.424 147 C N -0.077 119.102 119.300 -0.201 0.000 3.491 147 C HA 0.429 4.889 4.460 0.000 0.000 0.298 147 C C 0.251 175.005 174.990 -0.393 0.000 1.424 147 C CA -0.217 58.607 59.018 -0.324 0.000 1.772 147 C CB -0.631 26.788 27.740 -0.535 0.000 2.447 147 C HN 0.750 nan 8.230 nan 0.000 0.670 148 D N 1.412 121.586 120.400 -0.377 0.000 2.471 148 D HA 0.390 5.030 4.640 0.000 0.000 0.245 148 D C -2.059 173.809 176.300 -0.721 0.000 1.116 148 D CA -1.810 51.940 54.000 -0.417 0.000 0.853 148 D CB 2.141 42.761 40.800 -0.301 0.000 1.123 148 D HN -0.107 nan 8.370 nan 0.000 0.540 149 P HA -0.082 nan 4.420 nan 0.000 0.222 149 P C 0.851 177.625 177.300 -0.876 0.000 1.142 149 P CA 0.881 63.130 63.100 -1.418 0.000 0.788 149 P CB 0.331 31.722 31.700 -0.515 0.000 0.767 150 A N -0.670 121.847 122.820 -0.505 0.000 2.119 150 A HA -0.142 4.178 4.320 0.000 0.000 0.217 150 A C 1.841 179.266 177.584 -0.265 0.000 1.153 150 A CA 1.431 53.295 52.037 -0.287 0.000 0.692 150 A CB -0.718 18.165 19.000 -0.195 0.000 0.799 150 A HN 0.100 nan 8.150 nan 0.000 0.458 151 D N -1.432 118.746 120.400 -0.371 0.000 2.240 151 D HA -0.046 4.594 4.640 0.000 0.000 0.206 151 D C 1.315 177.484 176.300 -0.219 0.000 0.963 151 D CA 0.549 54.399 54.000 -0.250 0.000 0.863 151 D CB -0.338 40.324 40.800 -0.231 0.000 0.973 151 D HN 0.402 nan 8.370 nan 0.000 0.501 152 Y N 2.024 122.048 120.300 -0.460 0.000 2.024 152 Y HA -0.333 4.217 4.550 0.000 0.000 0.257 152 Y C 2.795 178.558 175.900 -0.229 0.000 1.233 152 Y CA 0.924 58.576 58.100 -0.746 0.000 1.087 152 Y CB -1.575 36.533 38.460 -0.586 0.000 0.905 152 Y HN -0.054 nan 8.280 nan 0.000 0.503 153 S N -0.315 115.433 115.700 0.080 0.000 2.398 153 S HA -0.260 4.210 4.470 0.000 0.000 0.220 153 S C 2.474 177.124 174.600 0.083 0.000 1.038 153 S CA 2.715 60.971 58.200 0.094 0.000 1.080 153 S CB -0.992 62.240 63.200 0.054 0.000 1.039 153 S HN 0.682 nan 8.310 nan 0.000 0.419 154 S N 0.805 116.528 115.700 0.039 0.000 2.413 154 S HA -0.134 4.336 4.470 0.000 0.000 0.237 154 S C 1.834 176.477 174.600 0.072 0.000 1.044 154 S CA 1.758 59.982 58.200 0.041 0.000 1.024 154 S CB -1.177 62.031 63.200 0.013 0.000 0.829 154 S HN 0.391 nan 8.310 nan 0.000 0.475 155 V N 2.650 122.622 119.914 0.096 0.000 2.283 155 V HA -0.051 4.070 4.120 0.000 0.000 0.243 155 V C 3.199 179.418 176.094 0.207 0.000 1.039 155 V CA 1.561 63.957 62.300 0.160 0.000 1.016 155 V CB -1.665 30.292 31.823 0.223 0.000 0.650 155 V HN 0.678 nan 8.190 nan 0.000 0.449 156 A N 0.055 123.049 122.820 0.290 0.000 1.917 156 A HA -0.294 4.026 4.320 0.000 0.000 0.219 156 A C 2.179 179.833 177.584 0.117 0.000 1.182 156 A CA 2.371 54.540 52.037 0.220 0.000 0.633 156 A CB -0.538 18.613 19.000 0.251 0.000 0.819 156 A HN 0.483 nan 8.150 nan 0.000 0.448 157 K N -0.186 120.276 120.400 0.103 0.000 2.147 157 K HA -0.102 4.218 4.320 0.000 0.000 0.205 157 K C 1.938 178.572 176.600 0.058 0.000 1.049 157 K CA 1.540 57.867 56.287 0.067 0.000 0.936 157 K CB -0.217 32.317 32.500 0.056 0.000 0.722 157 K HN 0.777 nan 8.250 nan 0.000 0.446 158 E N 0.192 120.432 120.200 0.068 0.000 2.046 158 E HA -0.113 4.237 4.350 0.000 0.000 0.190 158 E C 1.810 178.441 176.600 0.052 0.000 0.982 158 E CA 0.945 57.380 56.400 0.058 0.000 0.800 158 E CB 0.024 29.763 29.700 0.065 0.000 0.756 158 E HN 0.199 nan 8.360 nan 0.000 0.449 159 M N 0.535 120.172 119.600 0.061 0.000 2.159 159 M HA -0.107 4.373 4.480 0.000 0.000 0.263 159 M C 2.458 178.775 176.300 0.028 0.000 1.063 159 M CA 1.330 56.655 55.300 0.043 0.000 1.110 159 M CB -0.201 32.425 32.600 0.042 0.000 1.374 159 M HN 0.209 nan 8.290 nan 0.000 0.411 160 A N 0.743 123.583 122.820 0.032 0.000 1.865 160 A HA -0.120 4.200 4.320 0.000 0.000 0.217 160 A C 2.328 179.924 177.584 0.019 0.000 1.191 160 A CA 2.195 54.245 52.037 0.021 0.000 0.623 160 A CB -0.993 18.023 19.000 0.027 0.000 0.826 160 A HN 0.513 nan 8.150 nan 0.000 0.444 161 A N -0.906 121.928 122.820 0.024 0.000 2.167 161 A HA 0.269 4.589 4.320 0.000 0.000 0.214 161 A C 1.501 179.096 177.584 0.019 0.000 1.151 161 A CA 0.859 52.908 52.037 0.020 0.000 0.735 161 A CB -0.634 18.379 19.000 0.022 0.000 0.802 161 A HN 0.517 nan 8.150 nan 0.000 0.467 162 S N 0.128 115.840 115.700 0.021 0.000 2.515 162 S HA 0.108 4.578 4.470 0.000 0.000 0.285 162 S C 0.496 175.104 174.600 0.013 0.000 1.265 162 S CA -0.148 58.064 58.200 0.019 0.000 1.079 162 S CB 0.112 63.325 63.200 0.022 0.000 0.877 162 S HN 0.387 nan 8.310 nan 0.000 0.493 163 K N 3.160 123.567 120.400 0.012 0.000 2.968 163 K HA 0.117 4.437 4.320 0.000 0.000 0.249 163 K C 0.063 176.668 176.600 0.007 0.000 1.062 163 K CA 0.197 56.489 56.287 0.009 0.000 1.215 163 K CB -0.039 32.466 32.500 0.009 0.000 1.097 163 K HN 0.719 nan 8.250 nan 0.000 0.462 164 D N -1.212 119.192 120.400 0.008 0.000 2.902 164 D HA -0.072 4.568 4.640 0.000 0.000 0.331 164 D C -0.822 175.481 176.300 0.005 0.000 1.519 164 D CA -0.320 53.684 54.000 0.006 0.000 0.925 164 D CB -0.336 40.469 40.800 0.008 0.000 1.620 164 D HN 0.008 nan 8.370 nan 0.000 0.390 165 K N 0.899 121.302 120.400 0.005 0.000 3.490 165 K HA -0.205 4.115 4.320 0.000 0.000 0.273 165 K C -0.766 175.838 176.600 0.007 0.000 0.916 165 K CA 1.379 57.668 56.287 0.003 0.000 0.718 165 K CB -1.124 31.372 32.500 -0.007 0.000 1.477 165 K HN 0.411 nan 8.250 nan 0.000 0.452 166 D N -0.895 119.515 120.400 0.016 0.000 2.583 166 D HA 0.282 4.922 4.640 0.000 0.000 0.248 166 D C -0.574 175.747 176.300 0.036 0.000 1.209 166 D CA -0.279 53.735 54.000 0.023 0.000 0.848 166 D CB 1.425 42.236 40.800 0.019 0.000 1.431 166 D HN 0.118 nan 8.370 nan 0.000 0.436 167 T N -0.997 113.585 114.554 0.046 0.000 2.899 167 T HA 0.581 4.931 4.350 0.000 0.000 0.284 167 T C 0.483 175.211 174.700 0.046 0.000 1.004 167 T CA -0.722 61.412 62.100 0.056 0.000 1.043 167 T CB 0.909 69.820 68.868 0.072 0.000 1.013 167 T HN 0.357 nan 8.240 nan 0.000 0.518 168 S N 0.717 116.445 115.700 0.046 0.000 2.617 168 S HA 0.245 4.715 4.470 0.000 0.000 0.269 168 S C 1.535 176.158 174.600 0.037 0.000 1.292 168 S CA -0.826 57.397 58.200 0.038 0.000 1.010 168 S CB 0.771 63.995 63.200 0.039 0.000 0.944 168 S HN 0.554 nan 8.310 nan 0.000 0.536 169 V N 2.007 121.938 119.914 0.029 0.000 2.324 169 V HA -0.228 3.892 4.120 0.000 0.000 0.250 169 V C 2.844 178.947 176.094 0.016 0.000 1.060 169 V CA 2.259 64.576 62.300 0.029 0.000 1.042 169 V CB -1.282 30.552 31.823 0.018 0.000 0.650 169 V HN 0.974 nan 8.190 nan 0.000 0.450 170 E N 0.393 120.589 120.200 -0.006 0.000 2.085 170 E HA -0.225 4.125 4.350 0.000 0.000 0.194 170 E C 2.098 178.649 176.600 -0.082 0.000 0.994 170 E CA 1.998 58.355 56.400 -0.071 0.000 0.801 170 E CB -1.258 28.444 29.700 0.003 0.000 0.743 170 E HN 0.590 nan 8.360 nan 0.000 0.453 171 T N 1.696 116.270 114.554 0.034 0.000 2.708 171 T HA -0.110 4.240 4.350 0.000 0.000 0.266 171 T C 1.963 176.692 174.700 0.049 0.000 1.037 171 T CA 1.522 63.670 62.100 0.080 0.000 1.146 171 T CB -0.187 68.728 68.868 0.080 0.000 0.865 171 T HN 0.197 nan 8.240 nan 0.000 0.435 172 R N 0.722 121.251 120.500 0.049 0.000 2.127 172 R HA -0.009 4.331 4.340 0.000 0.000 0.238 172 R C 2.712 179.034 176.300 0.037 0.000 1.134 172 R CA 1.032 57.179 56.100 0.077 0.000 0.975 172 R CB -0.199 30.177 30.300 0.125 0.000 0.865 172 R HN 0.418 nan 8.270 nan 0.000 0.447 173 R N -0.448 120.029 120.500 -0.039 0.000 2.062 173 R HA -0.110 4.230 4.340 0.000 0.000 0.231 173 R C 2.047 178.219 176.300 -0.212 0.000 1.136 173 R CA 1.681 57.664 56.100 -0.195 0.000 0.948 173 R CB -0.482 29.659 30.300 -0.266 0.000 0.845 173 R HN 0.474 nan 8.270 nan 0.000 0.430 174 H N 0.099 119.156 119.070 -0.022 0.000 2.421 174 H HA -0.064 4.492 4.556 0.000 0.000 0.298 174 H C 1.958 177.263 175.328 -0.039 0.000 1.087 174 H CA 0.605 56.637 56.048 -0.026 0.000 1.330 174 H CB 0.184 29.939 29.762 -0.012 0.000 1.388 174 H HN 0.025 nan 8.280 nan 0.000 0.526 175 L N 0.440 121.698 121.223 0.059 0.000 2.027 175 L HA -0.086 4.254 4.340 0.000 0.000 0.206 175 L C 2.631 179.478 176.870 -0.039 0.000 1.074 175 L CA 1.588 56.432 54.840 0.008 0.000 0.745 175 L CB -1.328 40.740 42.059 0.016 0.000 0.898 175 L HN 0.327 nan 8.230 nan 0.000 0.433 176 A N -0.472 122.300 122.820 -0.079 0.000 1.933 176 A HA -0.210 4.110 4.320 0.000 0.000 0.218 176 A C 2.350 179.924 177.584 -0.017 0.000 1.175 176 A CA 1.533 53.494 52.037 -0.127 0.000 0.628 176 A CB -0.629 18.168 19.000 -0.338 0.000 0.814 176 A HN 0.428 nan 8.150 nan 0.000 0.444 177 L N -0.822 120.406 121.223 0.009 0.000 2.005 177 L HA -0.180 4.160 4.340 0.000 0.000 0.207 177 L C 2.478 179.402 176.870 0.089 0.000 1.072 177 L CA 2.263 57.156 54.840 0.089 0.000 0.744 177 L CB -0.425 41.680 42.059 0.076 0.000 0.895 177 L HN 0.391 nan 8.230 nan 0.000 0.433 178 K N -0.318 120.106 120.400 0.039 0.000 2.074 178 K HA -0.231 4.089 4.320 0.000 0.000 0.209 178 K C 2.009 178.613 176.600 0.008 0.000 1.048 178 K CA 1.622 57.918 56.287 0.014 0.000 0.926 178 K CB -0.184 32.298 32.500 -0.031 0.000 0.713 178 K HN 0.540 nan 8.250 nan 0.000 0.444 179 A N 0.159 122.947 122.820 -0.054 0.000 1.873 179 A HA -0.129 4.191 4.320 0.000 0.000 0.215 179 A C 1.885 179.425 177.584 -0.073 0.000 1.186 179 A CA 1.245 53.209 52.037 -0.121 0.000 0.616 179 A CB -0.645 18.200 19.000 -0.259 0.000 0.823 179 A HN 0.274 nan 8.150 nan 0.000 0.442 180 F N 0.818 120.789 119.950 0.035 0.000 2.259 180 F HA -0.069 4.458 4.527 0.000 0.000 0.298 180 F C 2.674 178.504 175.800 0.050 0.000 1.088 180 F CA 1.614 59.635 58.000 0.036 0.000 1.358 180 F CB -0.855 38.151 39.000 0.010 0.000 1.040 180 F HN 0.152 nan 8.300 nan 0.000 0.505 181 T N -1.981 112.708 114.554 0.224 0.000 2.737 181 T HA -0.245 4.105 4.350 0.000 0.000 0.265 181 T C 1.737 176.531 174.700 0.155 0.000 1.038 181 T CA 1.795 63.989 62.100 0.156 0.000 1.144 181 T CB -0.535 68.402 68.868 0.115 0.000 0.866 181 T HN 0.253 nan 8.240 nan 0.000 0.434 182 H N 1.395 120.492 119.070 0.045 0.000 2.319 182 H HA -0.127 4.429 4.556 0.000 0.000 0.297 182 H C 2.475 177.839 175.328 0.059 0.000 1.097 182 H CA 2.367 58.431 56.048 0.027 0.000 1.285 182 H CB -0.462 29.285 29.762 -0.025 0.000 1.368 182 H HN 0.477 nan 8.280 nan 0.000 0.495 183 T N -2.586 112.033 114.554 0.109 0.000 2.904 183 T HA 0.046 4.396 4.350 0.000 0.000 0.267 183 T C 2.256 177.025 174.700 0.114 0.000 1.059 183 T CA 0.898 63.045 62.100 0.078 0.000 1.137 183 T CB -0.648 68.280 68.868 0.100 0.000 0.879 183 T HN 0.390 nan 8.240 nan 0.000 0.467 184 A N 1.858 124.753 122.820 0.124 0.000 1.902 184 A HA -0.114 4.206 4.320 0.000 0.000 0.217 184 A C 2.470 180.086 177.584 0.053 0.000 1.181 184 A CA 1.547 53.638 52.037 0.090 0.000 0.623 184 A CB -0.813 18.243 19.000 0.094 0.000 0.818 184 A HN 0.622 nan 8.150 nan 0.000 0.443 185 Q N -2.271 117.557 119.800 0.048 0.000 2.167 185 Q HA -0.162 4.178 4.340 0.000 0.000 0.202 185 Q C 1.942 177.946 176.000 0.007 0.000 0.970 185 Q CA 1.506 57.320 55.803 0.018 0.000 0.855 185 Q CB -0.275 28.467 28.738 0.008 0.000 0.911 185 Q HN 0.810 nan 8.270 nan 0.000 0.438 186 Y N 1.902 122.130 120.300 -0.120 0.000 2.089 186 Y HA -0.230 4.320 4.550 0.000 0.000 0.282 186 Y C 1.460 177.265 175.900 -0.157 0.000 1.139 186 Y CA 2.011 60.031 58.100 -0.133 0.000 1.123 186 Y CB -0.074 38.295 38.460 -0.151 0.000 0.980 186 Y HN 0.089 nan 8.280 nan 0.000 0.493 187 D N -0.373 120.000 120.400 -0.046 0.000 2.264 187 D HA -0.079 4.561 4.640 0.000 0.000 0.208 187 D C 2.092 178.279 176.300 -0.188 0.000 0.966 187 D CA 1.080 54.975 54.000 -0.175 0.000 0.864 187 D CB -0.338 40.417 40.800 -0.074 0.000 0.933 187 D HN 0.439 nan 8.370 nan 0.000 0.499 188 A N 0.701 123.456 122.820 -0.109 0.000 1.930 188 A HA 0.053 4.373 4.320 0.000 0.000 0.217 188 A C 2.238 179.753 177.584 -0.114 0.000 1.175 188 A CA 1.682 53.669 52.037 -0.083 0.000 0.627 188 A CB -0.611 18.373 19.000 -0.027 0.000 0.815 188 A HN 0.236 nan 8.150 nan 0.000 0.443 189 A N -0.195 122.544 122.820 -0.136 0.000 1.929 189 A HA 0.054 4.374 4.320 0.000 0.000 0.216 189 A C 2.077 179.611 177.584 -0.084 0.000 1.176 189 A CA 1.219 53.205 52.037 -0.085 0.000 0.628 189 A CB -0.489 18.476 19.000 -0.059 0.000 0.816 189 A HN 0.473 nan 8.150 nan 0.000 0.444 190 I N 0.737 121.069 120.570 -0.397 0.000 2.202 190 I HA -0.242 3.928 4.170 0.000 0.000 0.242 190 I C 2.827 178.770 176.117 -0.290 0.000 1.091 190 I CA 1.680 62.614 61.300 -0.610 0.000 1.368 190 I CB -0.318 37.083 38.000 -0.999 0.000 1.058 190 I HN 0.474 nan 8.210 nan 0.000 0.410 191 S N -0.146 115.364 115.700 -0.317 0.000 2.423 191 S HA -0.215 4.255 4.470 0.000 0.000 0.231 191 S C 1.611 176.168 174.600 -0.071 0.000 1.014 191 S CA 1.358 59.435 58.200 -0.206 0.000 0.965 191 S CB -0.401 62.688 63.200 -0.185 0.000 0.785 191 S HN 0.434 nan 8.310 nan 0.000 0.495 192 D N 0.751 121.101 120.400 -0.083 0.000 2.097 192 D HA -0.155 4.485 4.640 0.000 0.000 0.197 192 D C 1.755 178.078 176.300 0.039 0.000 0.984 192 D CA 1.062 54.989 54.000 -0.122 0.000 0.826 192 D CB -0.504 40.227 40.800 -0.115 0.000 0.973 192 D HN 0.412 nan 8.370 nan 0.000 0.460 193 Y N 0.111 120.432 120.300 0.034 0.000 2.128 193 Y HA -0.179 4.371 4.550 0.000 0.000 0.284 193 Y C 1.947 177.889 175.900 0.071 0.000 1.154 193 Y CA 1.441 59.603 58.100 0.102 0.000 1.149 193 Y CB -0.803 37.846 38.460 0.315 0.000 0.976 193 Y HN -0.055 nan 8.280 nan 0.000 0.505 194 F N 0.311 120.131 119.950 -0.217 0.000 2.171 194 F HA -0.166 4.361 4.527 0.000 0.000 0.300 194 F C 2.523 178.183 175.800 -0.233 0.000 1.090 194 F CA 1.584 59.374 58.000 -0.350 0.000 1.293 194 F CB -0.733 38.210 39.000 -0.094 0.000 1.013 194 F HN -0.006 nan 8.300 nan 0.000 0.486 195 R N 0.265 120.790 120.500 0.041 0.000 2.066 195 R HA -0.142 4.198 4.340 0.000 0.000 0.232 195 R C 2.159 178.422 176.300 -0.061 0.000 1.131 195 R CA 1.467 57.565 56.100 -0.003 0.000 0.955 195 R CB -0.351 29.913 30.300 -0.060 0.000 0.851 195 R HN 0.252 nan 8.270 nan 0.000 0.432 196 K N 0.240 120.576 120.400 -0.106 0.000 2.097 196 K HA -0.124 4.196 4.320 0.000 0.000 0.206 196 K C 1.923 178.412 176.600 -0.185 0.000 1.049 196 K CA 1.085 57.306 56.287 -0.109 0.000 0.933 196 K CB 0.083 32.543 32.500 -0.068 0.000 0.717 196 K HN 0.126 nan 8.250 nan 0.000 0.442 197 E N -0.513 119.453 120.200 -0.390 0.000 2.230 197 E HA -0.063 4.287 4.350 0.000 0.000 0.192 197 E C 1.365 177.777 176.600 -0.314 0.000 0.987 197 E CA 1.102 57.191 56.400 -0.518 0.000 0.841 197 E CB 0.207 29.279 29.700 -1.046 0.000 0.783 197 E HN 0.390 nan 8.360 nan 0.000 0.481 198 Y N -0.869 119.306 120.300 -0.208 0.000 2.526 198 Y HA 0.251 4.801 4.550 0.000 0.000 0.265 198 Y C 1.916 177.766 175.900 -0.083 0.000 1.092 198 Y CA -0.257 57.754 58.100 -0.148 0.000 1.277 198 Y CB 0.282 38.651 38.460 -0.153 0.000 1.228 198 Y HN -0.155 nan 8.280 nan 0.000 0.507 199 S N 0.309 116.064 115.700 0.092 0.000 2.574 199 S HA 0.133 4.603 4.470 0.000 0.000 0.242 199 S C 0.380 174.991 174.600 0.018 0.000 0.982 199 S CA -0.462 57.770 58.200 0.053 0.000 0.977 199 S CB -0.411 62.825 63.200 0.059 0.000 0.814 199 S HN 0.166 nan 8.310 nan 0.000 0.464 200 K N 0.712 121.113 120.400 0.002 0.000 2.472 200 K HA 0.215 4.535 4.320 0.000 0.000 0.280 200 K C 1.217 177.811 176.600 -0.009 0.000 1.028 200 K CA 1.235 57.517 56.287 -0.010 0.000 1.045 200 K CB -0.202 32.286 32.500 -0.020 0.000 0.902 200 K HN 0.350 nan 8.250 nan 0.000 0.478 201 G N 2.087 110.880 108.800 -0.013 0.000 2.184 201 G HA2 -0.276 3.684 3.960 0.000 0.000 0.264 201 G HA3 -0.276 3.684 3.960 0.000 0.000 0.264 201 G C 0.501 175.388 174.900 -0.022 0.000 0.975 201 G CA 0.445 45.532 45.100 -0.021 0.000 0.642 201 G HN 0.465 nan 8.290 nan 0.000 0.536 202 V N 0.431 120.339 119.914 -0.010 0.000 2.784 202 V HA 0.274 4.394 4.120 0.000 0.000 0.231 202 V C 2.294 178.384 176.094 -0.007 0.000 1.128 202 V CA 2.310 64.604 62.300 -0.009 0.000 1.178 202 V CB 0.390 32.214 31.823 0.002 0.000 0.943 202 V HN 0.998 nan 8.190 nan 0.000 0.500 203 S N -1.295 114.413 115.700 0.015 0.000 2.629 203 S HA 0.274 4.744 4.470 0.000 0.000 0.236 203 S C 0.325 174.962 174.600 0.062 0.000 1.010 203 S CA -0.216 58.002 58.200 0.031 0.000 0.981 203 S CB 0.434 63.665 63.200 0.051 0.000 0.919 203 S HN 0.434 nan 8.310 nan 0.000 0.514 204 Q N 0.781 120.606 119.800 0.041 0.000 2.379 204 Q HA 0.604 4.944 4.340 0.000 0.000 0.278 204 Q C -2.408 173.606 176.000 0.024 0.000 1.068 204 Q CA -0.735 55.104 55.803 0.061 0.000 0.816 204 Q CB 2.290 31.047 28.738 0.031 0.000 1.387 204 Q HN 0.450 nan 8.270 nan 0.000 0.413 205 L N 3.916 125.156 121.223 0.029 0.000 2.541 205 L HA 0.583 4.923 4.340 0.000 0.000 0.266 205 L C -2.856 174.019 176.870 0.008 0.000 0.966 205 L CA -1.320 53.518 54.840 -0.002 0.000 0.871 205 L CB 1.965 44.004 42.059 -0.034 0.000 1.232 205 L HN 0.355 nan 8.230 nan 0.000 0.408 206 P HA 0.311 nan 4.420 nan 0.000 0.268 206 P C -1.000 176.300 177.300 0.001 0.000 1.205 206 P CA 0.155 63.264 63.100 0.014 0.000 0.771 206 P CB 0.629 32.333 31.700 0.007 0.000 0.858 207 L N 3.199 124.431 121.223 0.015 0.000 2.342 207 L HA 0.461 4.801 4.340 0.000 0.000 0.271 207 L C 1.956 178.807 176.870 -0.032 0.000 1.008 207 L CA -0.875 53.956 54.840 -0.014 0.000 0.818 207 L CB 1.945 44.023 42.059 0.033 0.000 1.296 207 L HN 0.398 nan 8.230 nan 0.000 0.427 208 R N 1.763 122.190 120.500 -0.120 0.000 2.083 208 R HA -0.111 4.229 4.340 0.000 0.000 0.237 208 R C -0.336 175.962 176.300 -0.002 0.000 1.137 208 R CA 1.500 57.536 56.100 -0.108 0.000 0.951 208 R CB -0.492 29.673 30.300 -0.224 0.000 0.851 208 R HN 0.606 nan 8.270 nan 0.000 0.434 209 Y N -3.530 116.797 120.300 0.045 0.000 2.750 209 Y HA 0.632 5.182 4.550 0.000 0.000 0.335 209 Y C 0.297 176.195 175.900 -0.003 0.000 1.252 209 Y CA -1.211 56.892 58.100 0.005 0.000 1.064 209 Y CB 0.213 38.656 38.460 -0.028 0.000 1.321 209 Y HN -0.010 nan 8.280 nan 0.000 0.451 210 G N 0.447 109.319 108.800 0.119 0.000 2.803 210 G HA2 0.182 4.142 3.960 0.000 0.000 0.177 210 G HA3 0.182 4.142 3.960 0.000 0.000 0.177 210 G C 0.581 175.293 174.900 -0.314 0.000 1.629 210 G CA 0.166 45.077 45.100 -0.315 0.000 1.077 210 G HN 0.759 nan 8.290 nan 0.000 0.556 211 M N 0.084 119.324 119.600 -0.600 0.000 2.149 211 M HA 0.038 4.518 4.480 0.000 0.000 0.261 211 M C 0.403 176.690 176.300 -0.022 0.000 1.064 211 M CA 1.133 56.275 55.300 -0.263 0.000 1.102 211 M CB -0.297 32.160 32.600 -0.239 0.000 1.369 211 M HN 0.343 nan 8.290 nan 0.000 0.408 212 N N -2.014 116.616 118.700 -0.116 0.000 2.321 212 N HA 0.284 5.024 4.740 0.000 0.000 0.290 212 N C -2.377 172.891 175.510 -0.404 0.000 1.212 212 N CA -1.330 51.627 53.050 -0.155 0.000 0.767 212 N CB 1.080 39.479 38.487 -0.146 0.000 1.494 212 N HN -0.245 nan 8.380 nan 0.000 0.479 213 P HA -0.170 nan 4.420 nan 0.000 0.216 213 P C 1.031 178.077 177.300 -0.423 0.000 1.153 213 P CA 1.535 64.012 63.100 -1.039 0.000 0.858 213 P CB -0.092 31.191 31.700 -0.696 0.000 0.789 214 H N -1.507 117.426 119.070 -0.229 0.000 2.563 214 H HA 0.102 4.658 4.556 0.000 0.000 0.272 214 H C 0.193 175.480 175.328 -0.067 0.000 1.005 214 H CA 0.371 56.350 56.048 -0.116 0.000 1.171 214 H CB -0.661 29.050 29.762 -0.084 0.000 1.351 214 H HN 0.234 nan 8.280 nan 0.000 0.602 215 Q N 1.423 120.945 119.800 -0.463 0.000 2.465 215 Q HA 0.386 4.726 4.340 0.000 0.000 0.237 215 Q C -0.810 175.135 176.000 -0.091 0.000 1.051 215 Q CA -0.393 55.234 55.803 -0.293 0.000 0.874 215 Q CB 1.438 29.946 28.738 -0.384 0.000 1.207 215 Q HN 0.177 nan 8.270 nan 0.000 0.508 216 S N 2.116 117.799 115.700 -0.028 0.000 2.564 216 S HA 0.719 5.189 4.470 0.000 0.000 0.274 216 S C -2.361 172.254 174.600 0.025 0.000 1.124 216 S CA -1.043 57.176 58.200 0.032 0.000 0.869 216 S CB 1.104 64.340 63.200 0.061 0.000 1.105 216 S HN 0.540 nan 8.310 nan 0.000 0.472 217 P HA 0.856 nan 4.420 nan 0.000 0.284 217 P C -1.426 175.920 177.300 0.077 0.000 1.292 217 P CA -0.636 62.501 63.100 0.061 0.000 0.800 217 P CB 1.115 32.848 31.700 0.055 0.000 1.188 218 A N -0.263 122.619 122.820 0.104 0.000 2.587 218 A HA 0.675 4.995 4.320 0.000 0.000 0.293 218 A C -1.216 176.460 177.584 0.153 0.000 1.087 218 A CA -0.507 51.630 52.037 0.166 0.000 0.692 218 A CB 1.889 21.027 19.000 0.230 0.000 1.291 218 A HN 0.797 nan 8.150 nan 0.000 0.407 219 Q N -0.207 119.702 119.800 0.182 0.000 2.687 219 Q HA 0.734 5.074 4.340 0.000 0.000 0.295 219 Q C -2.154 173.903 176.000 0.095 0.000 0.920 219 Q CA -0.864 55.017 55.803 0.129 0.000 0.766 219 Q CB 1.453 30.282 28.738 0.151 0.000 1.467 219 Q HN 1.058 nan 8.270 nan 0.000 0.415 220 L N 2.210 123.463 121.223 0.050 0.000 2.365 220 L HA 0.803 5.143 4.340 0.000 0.000 0.273 220 L C -1.715 175.206 176.870 0.084 0.000 1.000 220 L CA -0.327 54.489 54.840 -0.039 0.000 0.819 220 L CB 1.801 43.788 42.059 -0.120 0.000 1.284 220 L HN 0.780 nan 8.230 nan 0.000 0.418 221 Y N 1.067 121.329 120.300 -0.064 0.000 2.725 221 Y HA 0.819 5.369 4.550 0.000 0.000 0.333 221 Y C -1.329 174.545 175.900 -0.044 0.000 1.242 221 Y CA -0.867 57.206 58.100 -0.046 0.000 1.059 221 Y CB 1.381 39.831 38.460 -0.017 0.000 1.306 221 Y HN 0.667 nan 8.280 nan 0.000 0.454 222 T N -0.047 114.675 114.554 0.280 0.000 2.982 222 T HA 0.327 4.677 4.350 0.000 0.000 0.321 222 T C 0.322 175.160 174.700 0.231 0.000 1.229 222 T CA 0.015 62.203 62.100 0.148 0.000 1.044 222 T CB 1.173 70.058 68.868 0.029 0.000 1.184 222 T HN 1.158 nan 8.240 nan 0.000 0.477 223 T N 1.406 116.074 114.554 0.189 0.000 3.118 223 T HA 0.207 4.557 4.350 0.000 0.000 0.260 223 T C 0.952 175.707 174.700 0.091 0.000 1.139 223 T CA 0.219 62.405 62.100 0.143 0.000 1.085 223 T CB -0.152 68.788 68.868 0.119 0.000 0.934 223 T HN 0.505 nan 8.240 nan 0.000 0.518 224 R N 1.501 122.054 120.500 0.089 0.000 2.649 224 R HA 0.246 4.586 4.340 0.000 0.000 0.270 224 R C -1.653 174.682 176.300 0.059 0.000 1.105 224 R CA -1.816 54.327 56.100 0.072 0.000 1.193 224 R CB -0.231 30.124 30.300 0.091 0.000 1.120 224 R HN 0.044 nan 8.270 nan 0.000 0.561 225 P HA -0.066 nan 4.420 nan 0.000 0.221 225 P C -0.675 176.642 177.300 0.028 0.000 1.150 225 P CA 1.474 64.596 63.100 0.036 0.000 0.800 225 P CB 0.396 32.112 31.700 0.028 0.000 0.787 226 K N -1.226 119.186 120.400 0.021 0.000 2.542 226 K HA 0.361 4.681 4.320 0.000 0.000 0.259 226 K C -0.984 175.597 176.600 -0.032 0.000 0.932 226 K CA -0.713 55.572 56.287 -0.003 0.000 0.820 226 K CB 1.917 34.412 32.500 -0.008 0.000 1.345 226 K HN -0.163 nan 8.250 nan 0.000 0.432 227 L N 4.303 125.487 121.223 -0.065 0.000 2.453 227 L HA 0.130 4.470 4.340 0.000 0.000 0.272 227 L C -1.024 175.726 176.870 -0.200 0.000 1.182 227 L CA -1.056 53.699 54.840 -0.142 0.000 0.858 227 L CB 0.477 42.455 42.059 -0.135 0.000 1.120 227 L HN 0.559 nan 8.230 nan 0.000 0.474 228 P HA -0.054 nan 4.420 nan 0.000 0.233 228 P C -0.054 177.038 177.300 -0.347 0.000 1.167 228 P CA 0.437 63.317 63.100 -0.367 0.000 0.770 228 P CB 0.412 31.669 31.700 -0.738 0.000 0.837 229 L N 1.512 122.526 121.223 -0.349 0.000 2.282 229 L HA 0.447 4.787 4.340 0.000 0.000 0.288 229 L C -0.209 176.542 176.870 -0.199 0.000 1.033 229 L CA -0.287 54.372 54.840 -0.302 0.000 0.807 229 L CB 1.343 43.206 42.059 -0.328 0.000 1.209 229 L HN -0.123 nan 8.230 nan 0.000 0.423 230 T N 1.772 116.231 114.554 -0.157 0.000 2.876 230 T HA 0.629 4.979 4.350 0.000 0.000 0.289 230 T C -0.537 174.111 174.700 -0.086 0.000 1.014 230 T CA -0.816 61.220 62.100 -0.106 0.000 0.986 230 T CB 1.416 70.236 68.868 -0.081 0.000 1.021 230 T HN 0.261 nan 8.240 nan 0.000 0.458 231 V N 4.146 124.013 119.914 -0.079 0.000 2.427 231 V HA 0.125 4.245 4.120 0.000 0.000 0.268 231 V C 1.334 177.381 176.094 -0.078 0.000 1.046 231 V CA -0.243 62.011 62.300 -0.077 0.000 0.970 231 V CB 0.555 32.334 31.823 -0.074 0.000 1.001 231 V HN 0.932 nan 8.190 nan 0.000 0.476 232 V N 4.029 123.884 119.914 -0.098 0.000 2.500 232 V HA 0.085 4.205 4.120 0.000 0.000 0.243 232 V C 0.775 176.793 176.094 -0.127 0.000 1.039 232 V CA 1.130 63.358 62.300 -0.120 0.000 1.053 232 V CB -0.333 31.368 31.823 -0.204 0.000 0.695 232 V HN 0.916 nan 8.190 nan 0.000 0.463 233 N N -1.926 116.687 118.700 -0.144 0.000 2.525 233 N HA 0.541 5.281 4.740 0.000 0.000 0.270 233 N C 0.005 175.446 175.510 -0.115 0.000 1.321 233 N CA 0.558 53.537 53.050 -0.119 0.000 0.797 233 N CB 1.902 40.313 38.487 -0.126 0.000 1.529 233 N HN 0.419 nan 8.380 nan 0.000 0.491 234 G N 0.626 109.375 108.800 -0.085 0.000 2.575 234 G HA2 -0.104 3.856 3.960 0.000 0.000 0.267 234 G HA3 -0.104 3.856 3.960 0.000 0.000 0.267 234 G C -0.711 174.142 174.900 -0.078 0.000 1.264 234 G CA 0.161 45.211 45.100 -0.083 0.000 0.935 234 G HN 1.239 nan 8.290 nan 0.000 0.568 235 S N 1.059 116.711 115.700 -0.080 0.000 2.668 235 S HA 0.699 5.169 4.470 0.000 0.000 0.277 235 S C -2.651 171.908 174.600 -0.068 0.000 1.170 235 S CA 0.066 58.225 58.200 -0.069 0.000 0.994 235 S CB 2.229 65.395 63.200 -0.056 0.000 1.051 235 S HN 0.847 nan 8.310 nan 0.000 0.484 236 P HA 0.498 nan 4.420 nan 0.000 0.281 236 P C 0.162 177.424 177.300 -0.064 0.000 1.249 236 P CA -0.261 62.820 63.100 -0.032 0.000 0.810 236 P CB 1.142 32.826 31.700 -0.027 0.000 1.008 237 G N 0.067 108.839 108.800 -0.046 0.000 2.552 237 G HA2 0.279 4.239 3.960 0.000 0.000 0.318 237 G HA3 0.279 4.239 3.960 0.000 0.000 0.318 237 G C 0.110 175.008 174.900 -0.005 0.000 1.240 237 G CA -0.695 44.354 45.100 -0.085 0.000 1.002 237 G HN 0.412 nan 8.290 nan 0.000 0.493 238 F N -0.107 119.766 119.950 -0.127 0.000 2.051 238 F HA -0.028 4.499 4.527 0.000 0.000 0.296 238 F C 2.545 178.324 175.800 -0.036 0.000 1.122 238 F CA 1.468 59.429 58.000 -0.066 0.000 1.201 238 F CB -0.111 38.873 39.000 -0.026 0.000 0.978 238 F HN 0.232 nan 8.300 nan 0.000 0.472 239 I N 0.329 121.127 120.570 0.379 0.000 2.335 239 I HA -0.353 3.817 4.170 0.000 0.000 0.251 239 I C 2.030 178.194 176.117 0.078 0.000 1.129 239 I CA 1.623 63.076 61.300 0.255 0.000 1.402 239 I CB -0.834 37.316 38.000 0.250 0.000 1.069 239 I HN 0.324 nan 8.210 nan 0.000 0.424 240 N N 0.877 119.605 118.700 0.047 0.000 2.061 240 N HA -0.203 4.537 4.740 0.000 0.000 0.193 240 N C 1.934 177.231 175.510 -0.356 0.000 1.030 240 N CA 1.160 54.200 53.050 -0.018 0.000 0.856 240 N CB -0.079 38.463 38.487 0.091 0.000 1.023 240 N HN 0.275 nan 8.380 nan 0.000 0.424 241 L N 0.269 121.317 121.223 -0.292 0.000 2.093 241 L HA -0.166 4.174 4.340 0.000 0.000 0.208 241 L C 2.426 179.090 176.870 -0.344 0.000 1.085 241 L CA 0.652 55.265 54.840 -0.378 0.000 0.755 241 L CB -0.444 41.404 42.059 -0.351 0.000 0.904 241 L HN 0.399 nan 8.230 nan 0.000 0.435 242 C N -0.212 118.943 119.300 -0.242 0.000 2.425 242 C HA -0.156 4.304 4.460 0.000 0.000 0.277 242 C C 2.451 177.386 174.990 -0.093 0.000 1.280 242 C CA 0.560 59.503 59.018 -0.125 0.000 1.744 242 C CB -0.706 27.041 27.740 0.012 0.000 1.989 242 C HN 0.545 nan 8.230 nan 0.000 0.491 243 D N 0.764 121.091 120.400 -0.122 0.000 2.091 243 D HA -0.036 4.604 4.640 0.000 0.000 0.199 243 D C 2.363 178.374 176.300 -0.482 0.000 0.980 243 D CA 1.616 55.562 54.000 -0.089 0.000 0.831 243 D CB -0.610 40.230 40.800 0.067 0.000 0.987 243 D HN 0.439 nan 8.370 nan 0.000 0.460 244 A N 1.158 123.506 122.820 -0.786 0.000 1.873 244 A HA -0.180 4.140 4.320 0.000 0.000 0.218 244 A C 2.428 179.753 177.584 -0.433 0.000 1.193 244 A CA 1.280 52.824 52.037 -0.822 0.000 0.629 244 A CB -0.982 17.401 19.000 -1.029 0.000 0.826 244 A HN 0.233 nan 8.150 nan 0.000 0.447 245 L N -0.541 120.475 121.223 -0.345 0.000 2.141 245 L HA -0.149 4.191 4.340 0.000 0.000 0.209 245 L C 2.278 179.032 176.870 -0.194 0.000 1.094 245 L CA 0.986 55.711 54.840 -0.193 0.000 0.763 245 L CB -0.558 41.403 42.059 -0.163 0.000 0.908 245 L HN 0.440 nan 8.230 nan 0.000 0.437 246 N N 0.120 118.640 118.700 -0.299 0.000 2.290 246 N HA -0.049 4.691 4.740 0.000 0.000 0.179 246 N C 1.932 176.963 175.510 -0.798 0.000 1.016 246 N CA 1.258 54.089 53.050 -0.364 0.000 0.871 246 N CB 0.076 38.574 38.487 0.018 0.000 0.987 246 N HN 0.255 nan 8.380 nan 0.000 0.431 247 A N 1.501 123.633 122.820 -1.147 0.000 1.902 247 A HA -0.154 4.166 4.320 0.000 0.000 0.217 247 A C 2.024 179.334 177.584 -0.456 0.000 1.181 247 A CA 0.860 52.201 52.037 -1.161 0.000 0.623 247 A CB -1.089 17.334 19.000 -0.962 0.000 0.818 247 A HN 0.590 nan 8.150 nan 0.000 0.443 248 W N 0.869 121.892 121.300 -0.461 0.000 2.335 248 W HA -0.245 4.415 4.660 0.000 0.000 0.311 248 W C 2.036 178.382 176.519 -0.289 0.000 1.213 248 W CA 1.997 59.169 57.345 -0.289 0.000 1.274 248 W CB -0.336 28.984 29.460 -0.234 0.000 1.148 248 W HN 0.525 nan 8.180 nan 0.000 0.498 249 Q N 0.649 120.147 119.800 -0.503 0.000 2.084 249 Q HA -0.245 4.095 4.340 0.000 0.000 0.202 249 Q C 2.494 178.100 176.000 -0.656 0.000 0.978 249 Q CA 1.888 57.319 55.803 -0.620 0.000 0.844 249 Q CB -0.673 27.695 28.738 -0.616 0.000 0.898 249 Q HN 0.394 nan 8.270 nan 0.000 0.426 250 L N 0.888 121.652 121.223 -0.765 0.000 1.989 250 L HA -0.195 4.145 4.340 0.000 0.000 0.211 250 L C 2.412 179.156 176.870 -0.209 0.000 1.071 250 L CA 1.487 56.128 54.840 -0.332 0.000 0.749 250 L CB -0.303 41.685 42.059 -0.118 0.000 0.890 250 L HN 0.251 nan 8.230 nan 0.000 0.431 251 V N -2.778 116.965 119.914 -0.285 0.000 2.515 251 V HA -0.242 3.878 4.120 0.000 0.000 0.250 251 V C 2.467 178.336 176.094 -0.375 0.000 1.058 251 V CA 1.916 64.067 62.300 -0.247 0.000 1.064 251 V CB -0.816 30.886 31.823 -0.201 0.000 0.675 251 V HN 0.473 nan 8.190 nan 0.000 0.461 252 K N 0.518 120.532 120.400 -0.642 0.000 2.026 252 K HA -0.194 4.126 4.320 0.000 0.000 0.208 252 K C 2.258 178.672 176.600 -0.310 0.000 1.048 252 K CA 2.100 58.007 56.287 -0.634 0.000 0.929 252 K CB -0.241 31.744 32.500 -0.859 0.000 0.713 252 K HN 0.663 nan 8.250 nan 0.000 0.439 253 E N 0.524 120.586 120.200 -0.229 0.000 2.150 253 E HA -0.168 4.182 4.350 0.000 0.000 0.193 253 E C 2.098 178.658 176.600 -0.066 0.000 0.985 253 E CA 0.828 57.170 56.400 -0.097 0.000 0.814 253 E CB 0.013 29.713 29.700 0.000 0.000 0.752 253 E HN 0.334 nan 8.360 nan 0.000 0.466 254 L N 0.832 122.012 121.223 -0.072 0.000 2.027 254 L HA -0.160 4.180 4.340 0.000 0.000 0.206 254 L C 2.656 179.500 176.870 -0.043 0.000 1.074 254 L CA 1.158 55.977 54.840 -0.034 0.000 0.745 254 L CB -0.290 41.758 42.059 -0.019 0.000 0.898 254 L HN 0.029 nan 8.230 nan 0.000 0.433 255 K N -0.075 120.280 120.400 -0.076 0.000 2.148 255 K HA -0.190 4.130 4.320 0.000 0.000 0.204 255 K C 2.068 178.636 176.600 -0.053 0.000 1.050 255 K CA 1.189 57.440 56.287 -0.061 0.000 0.942 255 K CB 0.109 32.560 32.500 -0.082 0.000 0.724 255 K HN 0.364 nan 8.250 nan 0.000 0.446 256 Q N -0.779 118.979 119.800 -0.069 0.000 2.230 256 Q HA -0.048 4.292 4.340 0.000 0.000 0.202 256 Q C 1.811 177.789 176.000 -0.037 0.000 0.963 256 Q CA 1.162 56.933 55.803 -0.054 0.000 0.866 256 Q CB 0.161 28.860 28.738 -0.064 0.000 0.931 256 Q HN 0.356 nan 8.270 nan 0.000 0.452 257 A N -0.044 122.758 122.820 -0.031 0.000 2.044 257 A HA 0.085 4.405 4.320 0.000 0.000 0.213 257 A C 1.598 179.179 177.584 -0.005 0.000 1.169 257 A CA 0.509 52.535 52.037 -0.019 0.000 0.724 257 A CB 0.221 19.215 19.000 -0.011 0.000 0.840 257 A HN 0.250 nan 8.150 nan 0.000 0.463 258 L N -2.005 119.215 121.223 -0.004 0.000 2.858 258 L HA 0.305 4.645 4.340 0.000 0.000 0.251 258 L C 1.516 178.386 176.870 0.001 0.000 1.149 258 L CA 0.384 55.227 54.840 0.004 0.000 0.955 258 L CB 0.199 42.265 42.059 0.012 0.000 1.289 258 L HN 0.441 nan 8.230 nan 0.000 0.542 259 G N 1.737 110.532 108.800 -0.007 0.000 2.212 259 G HA2 -0.298 3.662 3.960 0.000 0.000 0.267 259 G HA3 -0.298 3.662 3.960 0.000 0.000 0.267 259 G C 0.224 175.124 174.900 0.000 0.000 1.002 259 G CA 0.611 45.707 45.100 -0.006 0.000 0.729 259 G HN 0.356 nan 8.290 nan 0.000 0.517 260 I N 0.091 120.663 120.570 0.003 0.000 2.603 260 I HA 0.328 4.498 4.170 0.000 0.000 0.300 260 I C -2.227 173.896 176.117 0.009 0.000 1.017 260 I CA -2.805 58.502 61.300 0.012 0.000 1.098 260 I CB 2.174 40.187 38.000 0.021 0.000 1.279 260 I HN -0.226 nan 8.210 nan 0.000 0.437 261 P HA 0.069 nan 4.420 nan 0.000 0.263 261 P C -1.010 176.307 177.300 0.028 0.000 1.195 261 P CA 0.172 63.284 63.100 0.019 0.000 0.762 261 P CB 0.576 32.295 31.700 0.032 0.000 0.799 262 A N 2.993 125.821 122.820 0.014 0.000 2.356 262 A HA 0.879 5.199 4.320 0.000 0.000 0.323 262 A C -0.887 176.728 177.584 0.051 0.000 1.119 262 A CA -0.508 51.546 52.037 0.028 0.000 0.790 262 A CB 1.631 20.627 19.000 -0.006 0.000 1.273 262 A HN 0.504 nan 8.150 nan 0.000 0.452 263 A N -0.093 122.788 122.820 0.101 0.000 2.539 263 A HA 0.931 5.251 4.320 0.000 0.000 0.296 263 A C -0.446 177.260 177.584 0.203 0.000 1.073 263 A CA 0.031 52.165 52.037 0.162 0.000 0.700 263 A CB 1.450 20.603 19.000 0.255 0.000 1.296 263 A HN 2.491 nan 8.150 nan 0.000 0.405 264 A N 0.101 123.069 122.820 0.246 0.000 2.498 264 A HA 0.855 5.175 4.320 0.000 0.000 0.298 264 A C -0.426 177.409 177.584 0.418 0.000 1.075 264 A CA -0.092 52.135 52.037 0.317 0.000 0.714 264 A CB 1.609 20.799 19.000 0.317 0.000 1.299 264 A HN 1.835 nan 8.150 nan 0.000 0.407 265 S N 1.049 117.017 115.700 0.446 0.000 2.669 265 S HA 0.691 5.161 4.470 0.000 0.000 0.315 265 S C -1.438 173.426 174.600 0.440 0.000 1.106 265 S CA -0.302 58.165 58.200 0.445 0.000 1.107 265 S CB -0.331 63.078 63.200 0.349 0.000 0.990 265 S HN 0.426 nan 8.310 nan 0.000 0.471 266 F N 3.526 123.610 119.950 0.223 0.000 2.432 266 F HA 0.718 5.245 4.527 0.000 0.000 0.329 266 F C 0.594 176.508 175.800 0.189 0.000 1.076 266 F CA -0.617 57.501 58.000 0.196 0.000 1.018 266 F CB 1.467 40.576 39.000 0.180 0.000 1.201 266 F HN 0.313 nan 8.300 nan 0.000 0.489 267 K N 1.965 122.481 120.400 0.194 0.000 2.587 267 K HA 0.172 4.492 4.320 0.000 0.000 0.256 267 K C -0.992 175.703 176.600 0.158 0.000 0.974 267 K CA -0.534 55.837 56.287 0.140 0.000 0.855 267 K CB 0.877 33.458 32.500 0.134 0.000 1.292 267 K HN 0.698 nan 8.250 nan 0.000 0.444 268 H N 1.358 120.537 119.070 0.181 0.000 2.756 268 H HA -0.137 4.419 4.556 0.000 0.000 0.315 268 H C 0.052 175.472 175.328 0.152 0.000 1.210 268 H CA 1.006 57.146 56.048 0.153 0.000 1.150 268 H CB -1.547 28.285 29.762 0.116 0.000 1.463 268 H HN 0.568 nan 8.280 nan 0.000 0.427 269 V N -1.436 118.666 119.914 0.313 0.000 4.935 269 V HA -0.303 3.817 4.120 0.000 0.000 0.273 269 V C 0.615 176.863 176.094 0.257 0.000 0.517 269 V CA 1.615 64.137 62.300 0.371 0.000 0.745 269 V CB -1.735 30.267 31.823 0.298 0.000 0.647 269 V HN 0.642 nan 8.190 nan 0.000 1.220 270 S N 0.061 115.709 115.700 -0.087 0.000 2.535 270 S HA 0.600 5.070 4.470 0.000 0.000 0.272 270 S C -2.790 171.264 174.600 -0.910 0.000 1.149 270 S CA -0.743 57.242 58.200 -0.360 0.000 0.888 270 S CB 3.321 66.474 63.200 -0.077 0.000 1.110 270 S HN 0.295 nan 8.310 nan 0.000 0.463 271 P HA 0.278 nan 4.420 nan 0.000 0.276 271 P C -0.072 177.078 177.300 -0.251 0.000 1.230 271 P CA -0.217 62.412 63.100 -0.784 0.000 0.776 271 P CB 1.138 32.629 31.700 -0.349 0.000 0.888 272 A N 3.316 126.078 122.820 -0.097 0.000 1.997 272 A HA 0.445 4.765 4.320 0.000 0.000 0.212 272 A C 1.091 178.706 177.584 0.052 0.000 1.178 272 A CA 1.282 53.332 52.037 0.022 0.000 0.698 272 A CB -0.509 18.545 19.000 0.089 0.000 0.842 272 A HN 0.672 nan 8.150 nan 0.000 0.458 273 G N -2.539 106.307 108.800 0.076 0.000 2.677 273 G HA2 0.683 4.643 3.960 0.000 0.000 0.291 273 G HA3 0.683 4.643 3.960 0.000 0.000 0.291 273 G C -1.285 173.692 174.900 0.129 0.000 1.435 273 G CA 0.119 45.271 45.100 0.087 0.000 0.826 273 G HN 1.233 nan 8.290 nan 0.000 0.491 274 A N -0.947 121.938 122.820 0.108 0.000 2.577 274 A HA 1.089 5.409 4.320 0.000 0.000 0.297 274 A C -0.465 177.174 177.584 0.091 0.000 1.060 274 A CA 0.311 52.428 52.037 0.134 0.000 0.697 274 A CB 1.294 20.382 19.000 0.147 0.000 1.281 274 A HN 2.639 nan 8.150 nan 0.000 0.402 275 A N 0.164 123.042 122.820 0.098 0.000 2.586 275 A HA 0.812 5.132 4.320 0.000 0.000 0.291 275 A C -0.687 176.941 177.584 0.073 0.000 1.062 275 A CA 0.061 52.142 52.037 0.073 0.000 0.666 275 A CB 0.311 19.354 19.000 0.072 0.000 1.281 275 A HN 2.314 nan 8.150 nan 0.000 0.421 276 V N -1.242 118.707 119.914 0.059 0.000 2.850 276 V HA 0.820 4.940 4.120 0.000 0.000 0.315 276 V C 1.043 177.175 176.094 0.064 0.000 1.064 276 V CA -0.057 62.275 62.300 0.053 0.000 0.979 276 V CB 1.381 33.226 31.823 0.037 0.000 1.039 276 V HN 1.904 nan 8.190 nan 0.000 0.452 277 G N 2.506 111.343 108.800 0.063 0.000 3.297 277 G HA2 0.110 4.070 3.960 0.000 0.000 0.225 277 G HA3 0.110 4.070 3.960 0.000 0.000 0.225 277 G C 0.408 175.351 174.900 0.073 0.000 1.171 277 G CA -0.165 44.978 45.100 0.072 0.000 1.652 277 G HN 0.517 nan 8.290 nan 0.000 0.564 278 I N 0.782 121.398 120.570 0.076 0.000 2.683 278 I HA 0.107 4.277 4.170 0.000 0.000 0.286 278 I C -1.830 174.348 176.117 0.102 0.000 1.175 278 I CA -3.016 58.332 61.300 0.080 0.000 1.429 278 I CB 0.399 38.448 38.000 0.081 0.000 1.371 278 I HN -0.009 nan 8.210 nan 0.000 0.569 279 P HA 0.114 nan 4.420 nan 0.000 0.266 279 P C -0.459 176.941 177.300 0.166 0.000 1.195 279 P CA -0.001 63.177 63.100 0.130 0.000 0.768 279 P CB 0.484 32.250 31.700 0.110 0.000 0.838 280 L N 1.672 123.026 121.223 0.218 0.000 2.334 280 L HA 0.358 4.698 4.340 0.000 0.000 0.277 280 L C 1.193 178.226 176.870 0.272 0.000 1.075 280 L CA -0.549 54.408 54.840 0.195 0.000 0.804 280 L CB 1.143 43.240 42.059 0.063 0.000 1.174 280 L HN 0.453 nan 8.230 nan 0.000 0.438 281 S N 0.471 116.284 115.700 0.188 0.000 2.652 281 S HA 0.080 4.550 4.470 0.000 0.000 0.267 281 S C 0.821 175.532 174.600 0.186 0.000 1.201 281 S CA -0.349 57.981 58.200 0.216 0.000 0.996 281 S CB 1.302 64.612 63.200 0.184 0.000 1.054 281 S HN 0.678 nan 8.310 nan 0.000 0.561 282 E N 0.592 120.926 120.200 0.223 0.000 2.072 282 E HA -0.145 4.205 4.350 0.000 0.000 0.191 282 E C 1.794 178.421 176.600 0.046 0.000 0.985 282 E CA 1.919 58.438 56.400 0.198 0.000 0.801 282 E CB -0.439 29.365 29.700 0.174 0.000 0.750 282 E HN 0.764 nan 8.360 nan 0.000 0.452 283 E N -0.041 120.184 120.200 0.041 0.000 2.028 283 E HA -0.195 4.155 4.350 0.000 0.000 0.191 283 E C 2.129 178.680 176.600 -0.083 0.000 0.988 283 E CA 1.199 57.587 56.400 -0.021 0.000 0.799 283 E CB -0.197 29.537 29.700 0.056 0.000 0.755 283 E HN 0.178 nan 8.360 nan 0.000 0.447 284 E N 1.127 121.327 120.200 -0.001 0.000 2.070 284 E HA -0.223 4.127 4.350 0.000 0.000 0.197 284 E C 1.916 178.472 176.600 -0.074 0.000 1.004 284 E CA 1.545 57.947 56.400 0.005 0.000 0.805 284 E CB -0.309 29.483 29.700 0.153 0.000 0.744 284 E HN 0.270 nan 8.360 nan 0.000 0.451 285 A N 0.387 123.108 122.820 -0.164 0.000 1.908 285 A HA -0.273 4.047 4.320 0.000 0.000 0.218 285 A C 2.156 179.681 177.584 -0.099 0.000 1.181 285 A CA 1.881 53.774 52.037 -0.239 0.000 0.627 285 A CB -0.601 18.008 19.000 -0.652 0.000 0.818 285 A HN 0.336 nan 8.150 nan 0.000 0.445 286 Q N -0.635 119.112 119.800 -0.089 0.000 2.167 286 Q HA -0.080 4.260 4.340 0.000 0.000 0.202 286 Q C 2.109 178.040 176.000 -0.115 0.000 0.970 286 Q CA 1.478 57.228 55.803 -0.089 0.000 0.855 286 Q CB -0.228 28.412 28.738 -0.165 0.000 0.911 286 Q HN 0.534 nan 8.270 nan 0.000 0.438 287 V N -0.317 119.494 119.914 -0.172 0.000 2.667 287 V HA -0.190 3.930 4.120 0.000 0.000 0.252 287 V C 1.754 177.788 176.094 -0.100 0.000 1.065 287 V CA 1.047 63.214 62.300 -0.222 0.000 1.083 287 V CB -0.077 31.451 31.823 -0.490 0.000 0.692 287 V HN 0.381 nan 8.190 nan 0.000 0.468 288 C N 0.525 119.789 119.300 -0.059 0.000 2.693 288 C HA 0.307 4.767 4.460 0.000 0.000 0.286 288 C C 1.318 176.288 174.990 -0.033 0.000 1.277 288 C CA -0.620 58.384 59.018 -0.023 0.000 1.705 288 C CB -1.096 26.639 27.740 -0.007 0.000 1.879 288 C HN 0.636 nan 8.230 nan 0.000 0.607 289 M N -0.182 119.396 119.600 -0.036 0.000 2.393 289 M HA -0.146 4.334 4.480 0.000 0.000 0.201 289 M C 0.553 176.848 176.300 -0.008 0.000 0.403 289 M CA 0.857 56.140 55.300 -0.027 0.000 0.471 289 M CB -2.418 30.157 32.600 -0.042 0.000 1.669 289 M HN 0.466 nan 8.290 nan 0.000 0.864 290 V N -4.675 115.241 119.914 0.003 0.000 3.276 290 V HA 0.167 4.287 4.120 0.000 0.000 0.319 290 V C 1.843 177.954 176.094 0.028 0.000 1.476 290 V CA 0.575 62.882 62.300 0.012 0.000 1.097 290 V CB -0.115 31.711 31.823 0.005 0.000 0.988 290 V HN 0.635 nan 8.190 nan 0.000 0.473 291 H N 3.824 122.868 119.070 -0.042 0.000 2.357 291 H HA -0.252 4.304 4.556 0.000 0.000 0.296 291 H C 1.625 176.987 175.328 0.056 0.000 1.108 291 H CA 2.794 58.835 56.048 -0.012 0.000 1.273 291 H CB -0.047 29.704 29.762 -0.018 0.000 1.367 291 H HN 0.757 nan 8.280 nan 0.000 0.498 292 D N -0.063 120.295 120.400 -0.069 0.000 2.392 292 D HA -0.065 4.575 4.640 0.000 0.000 0.228 292 D C 1.339 177.597 176.300 -0.070 0.000 1.003 292 D CA 0.697 54.640 54.000 -0.095 0.000 0.917 292 D CB -0.230 40.567 40.800 -0.005 0.000 0.890 292 D HN 0.453 nan 8.370 nan 0.000 0.532 293 L N -1.732 119.469 121.223 -0.037 0.000 3.520 293 L HA 0.204 4.544 4.340 0.000 0.000 0.323 293 L C 1.497 178.404 176.870 0.060 0.000 1.246 293 L CA -0.485 54.358 54.840 0.005 0.000 1.085 293 L CB -0.287 41.784 42.059 0.021 0.000 1.477 293 L HN 0.082 nan 8.230 nan 0.000 0.624 294 H N 2.123 121.144 119.070 -0.082 0.000 2.394 294 H HA -0.133 4.423 4.556 0.000 0.000 0.297 294 H C 1.031 176.344 175.328 -0.025 0.000 1.113 294 H CA 1.285 57.309 56.048 -0.041 0.000 1.277 294 H CB 0.501 30.229 29.762 -0.057 0.000 1.370 294 H HN 0.260 nan 8.280 nan 0.000 0.506 295 K N 0.376 120.761 120.400 -0.025 0.000 2.551 295 K HA 0.018 4.338 4.320 0.000 0.000 0.204 295 K C 0.401 176.983 176.600 -0.029 0.000 1.033 295 K CA 0.714 56.951 56.287 -0.083 0.000 1.187 295 K CB 0.517 32.962 32.500 -0.090 0.000 0.900 295 K HN 0.355 nan 8.250 nan 0.000 0.499 296 T N -3.013 111.545 114.554 0.008 0.000 3.567 296 T HA 0.241 4.591 4.350 0.000 0.000 0.314 296 T C -0.051 174.674 174.700 0.041 0.000 0.942 296 T CA -0.526 61.585 62.100 0.017 0.000 0.997 296 T CB -0.216 68.660 68.868 0.014 0.000 1.205 296 T HN -0.048 nan 8.240 nan 0.000 0.518 297 L N 3.695 124.955 121.223 0.061 0.000 2.261 297 L HA 0.492 4.832 4.340 0.000 0.000 0.289 297 L C 1.165 178.079 176.870 0.073 0.000 1.059 297 L CA -0.707 54.185 54.840 0.086 0.000 0.816 297 L CB 1.099 43.241 42.059 0.139 0.000 1.191 297 L HN 0.396 nan 8.230 nan 0.000 0.431 298 T N 0.227 114.821 114.554 0.066 0.000 2.732 298 T HA 0.253 4.603 4.350 0.000 0.000 0.287 298 T C -1.825 172.916 174.700 0.068 0.000 0.993 298 T CA -1.464 60.670 62.100 0.057 0.000 0.966 298 T CB 0.896 69.793 68.868 0.050 0.000 1.047 298 T HN 0.265 nan 8.240 nan 0.000 0.527 299 P HA -0.031 nan 4.420 nan 0.000 0.215 299 P C 1.840 179.185 177.300 0.075 0.000 1.157 299 P CA 0.310 63.449 63.100 0.064 0.000 0.863 299 P CB -0.074 31.656 31.700 0.049 0.000 0.787 300 L N -0.646 120.620 121.223 0.070 0.000 2.191 300 L HA -0.100 4.240 4.340 0.000 0.000 0.212 300 L C 1.892 178.833 176.870 0.118 0.000 1.103 300 L CA 2.140 57.029 54.840 0.083 0.000 0.769 300 L CB -1.235 40.861 42.059 0.061 0.000 0.908 300 L HN -0.053 nan 8.230 nan 0.000 0.438 301 A N -1.363 121.525 122.820 0.114 0.000 1.970 301 A HA -0.081 4.239 4.320 0.000 0.000 0.216 301 A C 2.338 180.006 177.584 0.141 0.000 1.170 301 A CA 1.257 53.379 52.037 0.142 0.000 0.645 301 A CB -0.319 18.748 19.000 0.113 0.000 0.816 301 A HN 0.491 nan 8.150 nan 0.000 0.447 302 S N 0.289 116.060 115.700 0.119 0.000 2.402 302 S HA 0.012 4.482 4.470 0.000 0.000 0.229 302 S C 2.264 176.930 174.600 0.109 0.000 1.021 302 S CA 0.996 59.262 58.200 0.111 0.000 0.974 302 S CB -0.360 62.908 63.200 0.112 0.000 0.800 302 S HN 0.755 nan 8.310 nan 0.000 0.484 303 A N 0.995 123.888 122.820 0.123 0.000 1.858 303 A HA -0.138 4.182 4.320 0.000 0.000 0.216 303 A C 2.008 179.692 177.584 0.166 0.000 1.190 303 A CA 1.670 53.785 52.037 0.130 0.000 0.617 303 A CB -1.054 18.021 19.000 0.125 0.000 0.827 303 A HN 0.540 nan 8.150 nan 0.000 0.443 304 Y N 0.732 121.080 120.300 0.081 0.000 2.200 304 Y HA -0.027 4.523 4.550 0.000 0.000 0.290 304 Y C 2.652 178.607 175.900 0.092 0.000 1.137 304 Y CA 0.857 59.010 58.100 0.088 0.000 1.163 304 Y CB -0.787 37.722 38.460 0.082 0.000 0.988 304 Y HN 0.309 nan 8.280 nan 0.000 0.518 305 A N 0.603 123.353 122.820 -0.117 0.000 1.908 305 A HA -0.222 4.098 4.320 0.000 0.000 0.218 305 A C 2.372 179.887 177.584 -0.115 0.000 1.181 305 A CA 1.944 53.877 52.037 -0.173 0.000 0.627 305 A CB -0.644 18.343 19.000 -0.021 0.000 0.818 305 A HN 0.515 nan 8.150 nan 0.000 0.445 306 R N -0.572 119.924 120.500 -0.007 0.000 2.148 306 R HA -0.019 4.321 4.340 0.000 0.000 0.223 306 R C 2.379 178.706 176.300 0.045 0.000 1.088 306 R CA 1.229 57.368 56.100 0.065 0.000 0.985 306 R CB -0.189 30.171 30.300 0.100 0.000 0.880 306 R HN 0.522 nan 8.270 nan 0.000 0.451 307 S N 0.261 115.959 115.700 -0.004 0.000 2.362 307 S HA -0.061 4.409 4.470 0.000 0.000 0.221 307 S C 1.801 176.398 174.600 -0.005 0.000 1.032 307 S CA 0.752 58.977 58.200 0.040 0.000 0.973 307 S CB -0.031 63.263 63.200 0.155 0.000 0.849 307 S HN 0.279 nan 8.310 nan 0.000 0.465 308 R N 0.682 121.061 120.500 -0.201 0.000 2.148 308 R HA -0.018 4.322 4.340 0.000 0.000 0.223 308 R C 2.117 178.409 176.300 -0.014 0.000 1.088 308 R CA 0.973 56.986 56.100 -0.145 0.000 0.985 308 R CB -0.396 29.669 30.300 -0.392 0.000 0.880 308 R HN 0.431 nan 8.270 nan 0.000 0.451 309 G N -0.537 108.271 108.800 0.013 0.000 2.650 309 G HA2 -0.119 3.841 3.960 0.000 0.000 0.214 309 G HA3 -0.119 3.841 3.960 0.000 0.000 0.214 309 G C 1.322 176.389 174.900 0.278 0.000 1.136 309 G CA 0.510 45.691 45.100 0.134 0.000 0.789 309 G HN 0.393 nan 8.290 nan 0.000 0.536 310 A N 0.137 123.081 122.820 0.208 0.000 1.865 310 A HA 0.011 4.331 4.320 0.000 0.000 0.217 310 A C 1.196 178.936 177.584 0.259 0.000 1.191 310 A CA 1.603 53.763 52.037 0.204 0.000 0.623 310 A CB -0.033 19.009 19.000 0.069 0.000 0.826 310 A HN 0.263 nan 8.150 nan 0.000 0.444 311 D N -2.004 118.506 120.400 0.183 0.000 2.330 311 D HA 0.280 4.920 4.640 0.000 0.000 0.249 311 D C 0.803 177.192 176.300 0.150 0.000 1.306 311 D CA -0.481 53.623 54.000 0.172 0.000 0.956 311 D CB 0.437 41.322 40.800 0.141 0.000 1.261 311 D HN 0.023 nan 8.370 nan 0.000 0.544 312 R N 2.056 122.644 120.500 0.146 0.000 2.119 312 R HA -0.141 4.199 4.340 0.000 0.000 0.246 312 R C 1.865 178.253 176.300 0.146 0.000 1.146 312 R CA 1.103 57.277 56.100 0.123 0.000 0.962 312 R CB -0.207 30.153 30.300 0.101 0.000 0.863 312 R HN 0.522 nan 8.270 nan 0.000 0.442 313 M N 0.462 120.147 119.600 0.143 0.000 2.066 313 M HA -0.146 4.334 4.480 0.000 0.000 0.259 313 M C 2.191 178.595 176.300 0.173 0.000 1.074 313 M CA 2.225 57.611 55.300 0.144 0.000 1.114 313 M CB -0.362 32.301 32.600 0.106 0.000 1.306 313 M HN 0.163 nan 8.290 nan 0.000 0.411 314 S N -1.212 114.579 115.700 0.152 0.000 2.584 314 S HA -0.029 4.441 4.470 0.000 0.000 0.240 314 S C 1.531 176.246 174.600 0.192 0.000 0.975 314 S CA 1.072 59.371 58.200 0.165 0.000 0.949 314 S CB -0.331 62.950 63.200 0.135 0.000 0.761 314 S HN 0.301 nan 8.310 nan 0.000 0.536 315 S N 0.481 116.301 115.700 0.200 0.000 2.524 315 S HA 0.329 4.799 4.470 0.000 0.000 0.216 315 S C 0.163 174.899 174.600 0.227 0.000 0.987 315 S CA -0.661 57.657 58.200 0.197 0.000 0.909 315 S CB -0.394 62.901 63.200 0.159 0.000 0.781 315 S HN 0.680 nan 8.310 nan 0.000 0.521 316 F N 2.664 122.671 119.950 0.096 0.000 2.602 316 F HA 0.374 4.901 4.527 0.000 0.000 0.385 316 F C 1.258 177.112 175.800 0.089 0.000 1.063 316 F CA 0.702 58.753 58.000 0.085 0.000 1.233 316 F CB -0.030 39.013 39.000 0.073 0.000 1.067 316 F HN 0.230 nan 8.300 nan 0.000 0.564 317 G N 3.973 112.601 108.800 -0.286 0.000 2.198 317 G HA2 -0.300 3.660 3.960 0.000 0.000 0.260 317 G HA3 -0.300 3.660 3.960 0.000 0.000 0.260 317 G C -0.247 174.679 174.900 0.042 0.000 1.025 317 G CA 0.177 45.197 45.100 -0.132 0.000 0.769 317 G HN 1.078 nan 8.290 nan 0.000 0.507 318 D N -0.915 119.537 120.400 0.087 0.000 2.371 318 D HA 0.508 5.148 4.640 0.000 0.000 0.242 318 D C -0.102 176.290 176.300 0.153 0.000 1.218 318 D CA -1.006 53.097 54.000 0.173 0.000 0.945 318 D CB 0.599 41.537 40.800 0.231 0.000 1.137 318 D HN 0.116 nan 8.370 nan 0.000 0.464 319 F N -0.012 120.034 119.950 0.159 0.000 2.426 319 F HA 0.429 4.956 4.527 0.000 0.000 0.348 319 F C -0.623 175.258 175.800 0.135 0.000 1.124 319 F CA -1.247 56.816 58.000 0.105 0.000 1.008 319 F CB 0.642 39.685 39.000 0.073 0.000 1.139 319 F HN 0.227 nan 8.300 nan 0.000 0.452 320 I N 5.358 125.987 120.570 0.099 0.000 2.385 320 I HA 0.600 4.770 4.170 0.000 0.000 0.294 320 I C -0.176 176.068 176.117 0.212 0.000 0.988 320 I CA -0.619 60.758 61.300 0.128 0.000 1.265 320 I CB 1.443 39.318 38.000 -0.208 0.000 1.388 320 I HN 0.686 nan 8.210 nan 0.000 0.480 321 A N 7.592 130.528 122.820 0.193 0.000 2.330 321 A HA 0.857 5.177 4.320 0.000 0.000 0.313 321 A C -0.881 176.782 177.584 0.132 0.000 1.124 321 A CA -0.497 51.651 52.037 0.185 0.000 0.774 321 A CB 0.840 19.919 19.000 0.131 0.000 1.198 321 A HN 0.669 nan 8.150 nan 0.000 0.465 322 L N 2.327 123.629 121.223 0.132 0.000 2.346 322 L HA 0.424 4.764 4.340 0.000 0.000 0.276 322 L C 1.403 178.344 176.870 0.117 0.000 1.006 322 L CA -0.462 54.427 54.840 0.083 0.000 0.817 322 L CB 2.270 44.343 42.059 0.023 0.000 1.272 322 L HN 0.886 nan 8.230 nan 0.000 0.421 323 S N -0.903 114.816 115.700 0.033 0.000 2.496 323 S HA 0.086 4.556 4.470 0.000 0.000 0.224 323 S C 0.255 174.878 174.600 0.038 0.000 0.996 323 S CA 0.138 58.320 58.200 -0.030 0.000 0.927 323 S CB -0.073 63.057 63.200 -0.117 0.000 0.774 323 S HN 0.656 nan 8.310 nan 0.000 0.524 324 D N 0.422 120.839 120.400 0.029 0.000 2.450 324 D HA 0.489 5.129 4.640 0.000 0.000 0.238 324 D C -0.374 175.904 176.300 -0.036 0.000 1.020 324 D CA -0.859 53.147 54.000 0.011 0.000 1.010 324 D CB 0.952 41.757 40.800 0.008 0.000 1.342 324 D HN 0.127 nan 8.370 nan 0.000 0.530 325 I N 1.032 121.572 120.570 -0.051 0.000 2.821 325 I HA -0.105 4.065 4.170 0.000 0.000 0.294 325 I C 0.776 176.840 176.117 -0.089 0.000 1.210 325 I CA 0.053 61.288 61.300 -0.108 0.000 1.430 325 I CB 0.142 38.110 38.000 -0.053 0.000 1.356 325 I HN 0.246 nan 8.210 nan 0.000 0.563 326 C N 7.795 126.999 119.300 -0.160 0.000 2.633 326 C HA 0.056 4.516 4.460 0.000 0.000 0.415 326 C C 0.403 175.412 174.990 0.033 0.000 1.393 326 C CA -0.513 58.483 59.018 -0.037 0.000 1.700 326 C CB -1.257 26.509 27.740 0.043 0.000 2.541 326 C HN 0.853 nan 8.230 nan 0.000 0.603 327 D N 3.951 124.374 120.400 0.039 0.000 2.437 327 D HA 0.309 4.949 4.640 0.000 0.000 0.259 327 D C 0.858 177.189 176.300 0.051 0.000 1.118 327 D CA -0.778 53.248 54.000 0.044 0.000 1.017 327 D CB 0.673 41.495 40.800 0.037 0.000 1.120 327 D HN 0.229 nan 8.370 nan 0.000 0.541 328 V N 0.648 120.587 119.914 0.043 0.000 2.287 328 V HA -0.125 3.995 4.120 0.000 0.000 0.248 328 V C -0.685 175.431 176.094 0.038 0.000 1.053 328 V CA 2.163 64.485 62.300 0.036 0.000 1.027 328 V CB -1.538 30.301 31.823 0.026 0.000 0.646 328 V HN 0.714 nan 8.190 nan 0.000 0.447 329 P HA -0.159 nan 4.420 nan 0.000 0.215 329 P C 1.651 178.990 177.300 0.065 0.000 1.153 329 P CA 1.851 64.979 63.100 0.048 0.000 0.853 329 P CB -0.249 31.481 31.700 0.050 0.000 0.788 330 T N 0.532 115.131 114.554 0.075 0.000 2.708 330 T HA -0.090 4.260 4.350 0.000 0.000 0.266 330 T C 2.150 176.898 174.700 0.079 0.000 1.037 330 T CA 1.838 63.998 62.100 0.100 0.000 1.146 330 T CB -0.963 67.956 68.868 0.085 0.000 0.865 330 T HN 0.108 nan 8.240 nan 0.000 0.435 331 A N 1.601 124.453 122.820 0.053 0.000 1.978 331 A HA -0.142 4.178 4.320 0.000 0.000 0.220 331 A C 2.247 179.833 177.584 0.004 0.000 1.170 331 A CA 1.583 53.635 52.037 0.026 0.000 0.636 331 A CB -0.446 18.575 19.000 0.035 0.000 0.810 331 A HN 0.462 nan 8.150 nan 0.000 0.448 332 K N -0.578 119.834 120.400 0.019 0.000 2.155 332 K HA 0.034 4.355 4.320 0.000 0.000 0.203 332 K C 1.722 178.333 176.600 0.018 0.000 1.052 332 K CA 1.189 57.480 56.287 0.007 0.000 0.948 332 K CB -0.262 32.246 32.500 0.012 0.000 0.728 332 K HN 0.565 nan 8.250 nan 0.000 0.448 333 I N 0.948 121.555 120.570 0.063 0.000 2.163 333 I HA -0.270 3.900 4.170 0.000 0.000 0.240 333 I C 2.213 178.393 176.117 0.106 0.000 1.081 333 I CA 1.280 62.640 61.300 0.100 0.000 1.353 333 I CB -0.303 37.810 38.000 0.188 0.000 1.054 333 I HN 0.083 nan 8.210 nan 0.000 0.407 334 I N 0.148 120.781 120.570 0.104 0.000 2.264 334 I HA -0.322 3.848 4.170 0.000 0.000 0.248 334 I C 2.782 178.818 176.117 -0.134 0.000 1.111 334 I CA 1.261 62.562 61.300 0.001 0.000 1.382 334 I CB -0.369 37.556 38.000 -0.125 0.000 1.060 334 I HN 0.226 nan 8.210 nan 0.000 0.418 335 S N 1.068 116.693 115.700 -0.125 0.000 2.370 335 S HA -0.206 4.264 4.470 0.000 0.000 0.226 335 S C 2.038 176.553 174.600 -0.142 0.000 1.033 335 S CA 1.668 59.767 58.200 -0.170 0.000 1.011 335 S CB -0.174 62.961 63.200 -0.108 0.000 0.852 335 S HN 0.527 nan 8.310 nan 0.000 0.457 336 R N -0.090 120.361 120.500 -0.081 0.000 2.300 336 R HA 0.267 4.607 4.340 0.000 0.000 0.199 336 R C 0.235 176.498 176.300 -0.062 0.000 0.920 336 R CA 0.015 56.075 56.100 -0.066 0.000 1.046 336 R CB 0.022 30.297 30.300 -0.041 0.000 0.984 336 R HN 0.262 nan 8.270 nan 0.000 0.493 337 E N 1.273 121.440 120.200 -0.055 0.000 2.292 337 E HA 0.239 4.589 4.350 0.000 0.000 0.258 337 E C -0.590 175.947 176.600 -0.105 0.000 1.115 337 E CA -0.895 55.482 56.400 -0.039 0.000 0.929 337 E CB 1.783 31.511 29.700 0.046 0.000 1.161 337 E HN -0.138 nan 8.360 nan 0.000 0.453 338 V N 1.920 121.754 119.914 -0.134 0.000 2.304 338 V HA 0.244 4.364 4.120 0.000 0.000 0.269 338 V C -0.162 175.797 176.094 -0.226 0.000 1.036 338 V CA -0.195 61.940 62.300 -0.275 0.000 0.840 338 V CB 0.296 31.762 31.823 -0.595 0.000 1.036 338 V HN 0.664 nan 8.190 nan 0.000 0.466 339 S N 1.911 117.544 115.700 -0.111 0.000 2.588 339 S HA 0.520 4.990 4.470 0.000 0.000 0.275 339 S C -0.144 174.527 174.600 0.118 0.000 1.130 339 S CA -0.861 57.341 58.200 0.004 0.000 0.855 339 S CB 2.270 65.514 63.200 0.074 0.000 1.116 339 S HN 0.452 nan 8.310 nan 0.000 0.472 340 D N 0.460 120.840 120.400 -0.034 0.000 2.354 340 D HA 0.374 5.014 4.640 0.000 0.000 0.209 340 D C 0.893 176.845 176.300 -0.580 0.000 1.015 340 D CA 1.186 55.100 54.000 -0.143 0.000 0.867 340 D CB 0.533 41.302 40.800 -0.051 0.000 0.933 340 D HN 0.905 nan 8.370 nan 0.000 0.520 341 G N -0.631 107.613 108.800 -0.927 0.000 2.315 341 G HA2 0.364 4.324 3.960 0.000 0.000 0.294 341 G HA3 0.364 4.324 3.960 0.000 0.000 0.294 341 G C -2.105 171.983 174.900 -1.354 0.000 1.300 341 G CA -0.302 43.829 45.100 -1.614 0.000 0.843 341 G HN 0.083 nan 8.290 nan 0.000 0.527 342 V N -1.191 118.179 119.914 -0.907 0.000 3.048 342 V HA 0.828 4.948 4.120 0.000 0.000 0.303 342 V C -1.402 174.807 176.094 0.191 0.000 1.214 342 V CA -0.452 61.726 62.300 -0.204 0.000 0.984 342 V CB 1.885 33.725 31.823 0.028 0.000 1.054 342 V HN 1.796 nan 8.190 nan 0.000 0.430 343 V N 5.544 125.654 119.914 0.327 0.000 2.638 343 V HA 1.034 5.154 4.120 0.000 0.000 0.306 343 V C -0.242 175.932 176.094 0.132 0.000 1.052 343 V CA 0.499 62.938 62.300 0.232 0.000 0.885 343 V CB 1.525 33.435 31.823 0.144 0.000 0.999 343 V HN 1.887 nan 8.190 nan 0.000 0.424 344 A N 7.046 129.843 122.820 -0.038 0.000 2.609 344 A HA 0.894 5.214 4.320 0.000 0.000 0.291 344 A C -2.635 174.787 177.584 -0.270 0.000 1.096 344 A CA -0.933 51.009 52.037 -0.160 0.000 0.684 344 A CB 1.871 20.565 19.000 -0.510 0.000 1.282 344 A HN 0.544 nan 8.150 nan 0.000 0.412 345 P HA 0.132 nan 4.420 nan 0.000 0.226 345 P C 0.728 177.932 177.300 -0.159 0.000 1.153 345 P CA 1.749 64.784 63.100 -0.108 0.000 0.777 345 P CB 0.359 32.126 31.700 0.111 0.000 0.794 346 G N -1.597 107.020 108.800 -0.306 0.000 2.368 346 G HA2 0.465 4.425 3.960 0.000 0.000 0.293 346 G HA3 0.465 4.425 3.960 0.000 0.000 0.293 346 G C -2.335 172.269 174.900 -0.494 0.000 1.467 346 G CA -0.668 44.286 45.100 -0.244 0.000 0.804 346 G HN -0.114 nan 8.290 nan 0.000 0.535 347 Y N 0.249 120.548 120.300 -0.001 0.000 2.442 347 Y HA 0.475 5.025 4.550 0.000 0.000 0.344 347 Y C 0.435 176.337 175.900 0.003 0.000 0.976 347 Y CA -1.008 57.094 58.100 0.003 0.000 1.040 347 Y CB 1.913 40.371 38.460 -0.002 0.000 1.228 347 Y HN 0.504 nan 8.280 nan 0.000 0.451 348 E N 2.170 122.451 120.200 0.134 0.000 2.392 348 E HA -0.035 4.315 4.350 0.000 0.000 0.264 348 E C 0.627 177.279 176.600 0.088 0.000 1.024 348 E CA -0.142 56.308 56.400 0.083 0.000 0.903 348 E CB 1.041 30.775 29.700 0.057 0.000 0.963 348 E HN 0.809 nan 8.360 nan 0.000 0.432 349 E N 2.066 122.301 120.200 0.058 0.000 2.114 349 E HA -0.312 4.038 4.350 0.000 0.000 0.199 349 E C 1.604 178.223 176.600 0.031 0.000 1.008 349 E CA 1.623 58.047 56.400 0.040 0.000 0.810 349 E CB 0.190 29.904 29.700 0.024 0.000 0.739 349 E HN 0.429 nan 8.360 nan 0.000 0.456 350 E N 0.124 120.342 120.200 0.031 0.000 2.047 350 E HA -0.116 4.234 4.350 0.000 0.000 0.191 350 E C 1.737 178.353 176.600 0.027 0.000 0.987 350 E CA 1.411 57.824 56.400 0.022 0.000 0.799 350 E CB -0.323 29.389 29.700 0.020 0.000 0.752 350 E HN 0.306 nan 8.360 nan 0.000 0.449 351 A N 0.447 123.297 122.820 0.051 0.000 1.933 351 A HA -0.151 4.169 4.320 0.000 0.000 0.218 351 A C 2.161 179.778 177.584 0.056 0.000 1.175 351 A CA 1.533 53.611 52.037 0.068 0.000 0.628 351 A CB -0.760 18.309 19.000 0.116 0.000 0.814 351 A HN 0.376 nan 8.150 nan 0.000 0.444 352 L N -0.144 121.110 121.223 0.052 0.000 2.017 352 L HA -0.119 4.221 4.340 0.000 0.000 0.208 352 L C 2.189 179.029 176.870 -0.050 0.000 1.073 352 L CA 2.238 57.057 54.840 -0.036 0.000 0.745 352 L CB -0.726 41.313 42.059 -0.034 0.000 0.894 352 L HN 0.361 nan 8.230 nan 0.000 0.432 353 K N -0.465 119.921 120.400 -0.024 0.000 2.044 353 K HA -0.202 4.118 4.320 0.000 0.000 0.210 353 K C 2.064 178.644 176.600 -0.034 0.000 1.049 353 K CA 2.137 58.407 56.287 -0.027 0.000 0.927 353 K CB -0.369 32.121 32.500 -0.015 0.000 0.713 353 K HN 0.361 nan 8.250 nan 0.000 0.443 354 I N 1.070 121.623 120.570 -0.028 0.000 2.127 354 I HA -0.325 3.845 4.170 0.000 0.000 0.241 354 I C 2.243 178.320 176.117 -0.066 0.000 1.075 354 I CA 1.436 62.712 61.300 -0.040 0.000 1.334 354 I CB -0.392 37.591 38.000 -0.028 0.000 1.040 354 I HN 0.149 nan 8.210 nan 0.000 0.405 355 L N -0.134 121.051 121.223 -0.063 0.000 2.131 355 L HA -0.168 4.172 4.340 0.000 0.000 0.210 355 L C 2.587 179.436 176.870 -0.035 0.000 1.092 355 L CA 1.044 55.838 54.840 -0.076 0.000 0.759 355 L CB -0.551 41.492 42.059 -0.027 0.000 0.903 355 L HN 0.182 nan 8.230 nan 0.000 0.435 356 S N -0.566 115.105 115.700 -0.049 0.000 2.447 356 S HA -0.159 4.311 4.470 0.000 0.000 0.233 356 S C 1.932 176.517 174.600 -0.025 0.000 1.006 356 S CA 1.022 59.201 58.200 -0.035 0.000 0.957 356 S CB -0.051 63.114 63.200 -0.060 0.000 0.773 356 S HN 0.323 nan 8.310 nan 0.000 0.507 357 K N 1.558 121.933 120.400 -0.041 0.000 2.365 357 K HA 0.088 4.408 4.320 0.000 0.000 0.197 357 K C 0.809 177.377 176.600 -0.053 0.000 1.042 357 K CA 0.204 56.467 56.287 -0.041 0.000 0.987 357 K CB 0.126 32.600 32.500 -0.043 0.000 0.779 357 K HN 0.134 nan 8.250 nan 0.000 0.484 358 K N 1.728 122.075 120.400 -0.089 0.000 2.380 358 K HA -0.113 4.207 4.320 0.000 0.000 0.267 358 K C -0.535 176.028 176.600 -0.062 0.000 0.990 358 K CA 0.445 56.640 56.287 -0.153 0.000 0.946 358 K CB 0.422 32.684 32.500 -0.398 0.000 0.937 358 K HN 0.049 nan 8.250 nan 0.000 0.491 359 K N 3.089 123.448 120.400 -0.068 0.000 3.244 359 K HA -0.351 3.969 4.320 0.000 0.000 0.270 359 K C -0.556 176.047 176.600 0.006 0.000 1.016 359 K CA 0.853 57.137 56.287 -0.004 0.000 0.754 359 K CB -1.444 31.105 32.500 0.081 0.000 1.326 359 K HN 0.950 nan 8.250 nan 0.000 0.465 360 N N -0.548 118.145 118.700 -0.012 0.000 2.710 360 N HA -0.217 4.523 4.740 0.000 0.000 0.249 360 N C 0.544 176.052 175.510 -0.003 0.000 1.059 360 N CA 2.602 55.647 53.050 -0.007 0.000 0.720 360 N CB -1.430 37.057 38.487 -0.001 0.000 0.983 360 N HN 1.218 nan 8.380 nan 0.000 0.544 361 G N -2.663 106.135 108.800 -0.004 0.000 2.148 361 G HA2 -0.182 3.778 3.960 0.000 0.000 0.254 361 G HA3 -0.182 3.778 3.960 0.000 0.000 0.254 361 G C 0.718 175.622 174.900 0.008 0.000 0.981 361 G CA 0.563 45.662 45.100 -0.002 0.000 0.670 361 G HN 1.249 nan 8.290 nan 0.000 0.528 362 G N -0.957 107.858 108.800 0.025 0.000 3.735 362 G HA2 0.425 4.385 3.960 0.000 0.000 0.283 362 G HA3 0.425 4.385 3.960 0.000 0.000 0.283 362 G C 0.230 175.148 174.900 0.030 0.000 1.007 362 G CA -0.079 45.030 45.100 0.016 0.000 0.821 362 G HN 0.558 nan 8.290 nan 0.000 0.505 363 Y N 0.943 121.192 120.300 -0.086 0.000 2.717 363 Y HA 0.226 4.776 4.550 0.000 0.000 0.330 363 Y C 0.837 176.662 175.900 -0.125 0.000 1.217 363 Y CA -1.164 56.868 58.100 -0.113 0.000 1.506 363 Y CB 0.511 38.894 38.460 -0.128 0.000 1.268 363 Y HN 0.086 nan 8.280 nan 0.000 0.561 364 C N 7.903 126.791 119.300 -0.687 0.000 2.624 364 C HA 0.518 4.978 4.460 0.000 0.000 0.397 364 C C -0.588 174.033 174.990 -0.616 0.000 1.331 364 C CA -0.570 58.134 59.018 -0.523 0.000 1.716 364 C CB -2.262 25.247 27.740 -0.386 0.000 2.452 364 C HN 0.583 nan 8.230 nan 0.000 0.586 365 V N 8.673 128.393 119.914 -0.324 0.000 2.443 365 V HA 0.480 4.600 4.120 0.000 0.000 0.293 365 V C -0.136 175.873 176.094 -0.142 0.000 1.021 365 V CA -0.310 61.832 62.300 -0.263 0.000 0.848 365 V CB 1.314 32.921 31.823 -0.360 0.000 0.998 365 V HN 0.749 nan 8.190 nan 0.000 0.424 366 L N 4.031 125.262 121.223 0.013 0.000 2.342 366 L HA 0.689 5.029 4.340 0.000 0.000 0.271 366 L C -0.428 176.530 176.870 0.146 0.000 1.008 366 L CA -0.587 54.274 54.840 0.035 0.000 0.818 366 L CB 2.166 44.234 42.059 0.015 0.000 1.296 366 L HN 0.601 nan 8.230 nan 0.000 0.427 367 Q N 2.406 122.239 119.800 0.055 0.000 2.333 367 Q HA 0.595 4.935 4.340 0.000 0.000 0.267 367 Q C -1.255 174.624 176.000 -0.202 0.000 1.012 367 Q CA -0.795 55.024 55.803 0.026 0.000 0.824 367 Q CB 2.229 31.025 28.738 0.098 0.000 1.290 367 Q HN 0.568 nan 8.270 nan 0.000 0.449 368 M N 3.322 122.686 119.600 -0.393 0.000 2.364 368 M HA 0.290 4.770 4.480 0.000 0.000 0.334 368 M C -1.366 174.667 176.300 -0.445 0.000 1.107 368 M CA -0.574 54.356 55.300 -0.616 0.000 0.988 368 M CB 1.605 33.417 32.600 -1.313 0.000 1.673 368 M HN 0.542 nan 8.290 nan 0.000 0.441 369 D N 6.515 126.744 120.400 -0.286 0.000 2.342 369 D HA 0.187 4.827 4.640 0.000 0.000 0.260 369 D C -1.720 174.602 176.300 0.036 0.000 1.278 369 D CA -1.706 52.242 54.000 -0.087 0.000 0.910 369 D CB 1.026 41.813 40.800 -0.022 0.000 1.079 369 D HN 0.409 nan 8.370 nan 0.000 0.496 370 P HA -0.126 nan 4.420 nan 0.000 0.222 370 P C 0.309 177.761 177.300 0.253 0.000 1.147 370 P CA 0.729 64.034 63.100 0.341 0.000 0.790 370 P CB 0.376 32.240 31.700 0.273 0.000 0.780 371 N N -1.389 117.408 118.700 0.162 0.000 2.353 371 N HA -0.048 4.692 4.740 0.000 0.000 0.185 371 N C 0.581 176.154 175.510 0.104 0.000 1.098 371 N CA -0.088 53.027 53.050 0.107 0.000 0.872 371 N CB -0.638 37.890 38.487 0.068 0.000 0.970 371 N HN 0.288 nan 8.380 nan 0.000 0.467 372 Y N 2.350 122.683 120.300 0.054 0.000 2.511 372 Y HA 0.106 4.656 4.550 0.000 0.000 0.332 372 Y C -0.218 175.720 175.900 0.064 0.000 1.177 372 Y CA 0.036 58.156 58.100 0.034 0.000 1.422 372 Y CB 0.399 38.857 38.460 -0.004 0.000 1.271 372 Y HN -0.068 nan 8.280 nan 0.000 0.550 373 E N 7.641 127.267 120.200 -0.957 0.000 2.308 373 E HA 0.357 4.707 4.350 0.000 0.000 0.275 373 E C -2.606 173.430 176.600 -0.940 0.000 0.890 373 E CA -2.183 53.790 56.400 -0.711 0.000 0.754 373 E CB 2.002 31.527 29.700 -0.293 0.000 1.207 373 E HN 0.481 nan 8.360 nan 0.000 0.426 374 P HA 0.195 nan 4.420 nan 0.000 0.279 374 P C -0.809 176.423 177.300 -0.114 0.000 1.276 374 P CA -0.485 62.477 63.100 -0.230 0.000 0.801 374 P CB 0.903 32.598 31.700 -0.007 0.000 1.127 375 D N 0.188 120.567 120.400 -0.035 0.000 2.358 375 D HA 0.045 4.685 4.640 0.000 0.000 0.244 375 D C 0.748 177.043 176.300 -0.009 0.000 1.163 375 D CA -0.076 53.912 54.000 -0.019 0.000 0.945 375 D CB 0.648 41.450 40.800 0.004 0.000 1.152 375 D HN 0.328 nan 8.370 nan 0.000 0.451 376 D N -0.070 120.325 120.400 -0.008 0.000 2.323 376 D HA -0.027 4.613 4.640 0.000 0.000 0.209 376 D C -0.044 176.262 176.300 0.010 0.000 0.973 376 D CA 0.614 54.613 54.000 -0.001 0.000 0.874 376 D CB 0.114 40.909 40.800 -0.007 0.000 0.930 376 D HN 0.355 nan 8.370 nan 0.000 0.521 377 N N 0.627 119.334 118.700 0.012 0.000 2.443 377 N HA 0.315 5.055 4.740 0.000 0.000 0.295 377 N C -0.542 174.982 175.510 0.024 0.000 1.076 377 N CA -0.415 52.645 53.050 0.018 0.000 0.919 377 N CB 1.788 40.284 38.487 0.014 0.000 1.176 377 N HN -0.147 nan 8.380 nan 0.000 0.487 378 E N 1.281 121.498 120.200 0.029 0.000 2.248 378 E HA 0.455 4.805 4.350 0.000 0.000 0.267 378 E C -1.142 175.477 176.600 0.031 0.000 0.877 378 E CA -0.649 55.770 56.400 0.032 0.000 0.759 378 E CB 2.605 32.332 29.700 0.045 0.000 1.182 378 E HN 0.435 nan 8.360 nan 0.000 0.418 379 I N 2.437 123.023 120.570 0.027 0.000 2.498 379 I HA 0.490 4.660 4.170 0.000 0.000 0.290 379 I C -1.178 174.958 176.117 0.033 0.000 1.032 379 I CA -0.697 60.621 61.300 0.030 0.000 1.073 379 I CB 0.969 38.987 38.000 0.030 0.000 1.251 379 I HN 0.566 nan 8.210 nan 0.000 0.426 380 R N 3.968 124.493 120.500 0.040 0.000 2.750 380 R HA 0.653 4.993 4.340 0.000 0.000 0.281 380 R C -1.448 174.883 176.300 0.053 0.000 0.972 380 R CA -0.676 55.452 56.100 0.048 0.000 0.912 380 R CB 1.716 32.047 30.300 0.051 0.000 1.187 380 R HN 0.490 nan 8.270 nan 0.000 0.464 381 T N 3.022 117.613 114.554 0.062 0.000 2.837 381 T HA 0.418 4.768 4.350 0.000 0.000 0.285 381 T C -0.885 173.859 174.700 0.073 0.000 0.984 381 T CA -0.480 61.658 62.100 0.063 0.000 1.049 381 T CB 0.929 69.834 68.868 0.063 0.000 0.947 381 T HN 0.339 nan 8.240 nan 0.000 0.472 382 L N 4.523 125.795 121.223 0.082 0.000 2.457 382 L HA 0.384 4.724 4.340 0.000 0.000 0.266 382 L C -0.741 176.241 176.870 0.187 0.000 0.979 382 L CA -0.511 54.393 54.840 0.107 0.000 0.857 382 L CB 0.610 42.714 42.059 0.076 0.000 1.213 382 L HN 0.727 nan 8.230 nan 0.000 0.418 383 Y N 4.558 124.863 120.300 0.009 0.000 3.389 383 Y HA -0.183 4.367 4.550 0.000 0.000 0.213 383 Y C 1.310 177.215 175.900 0.009 0.000 1.272 383 Y CA 1.442 59.546 58.100 0.006 0.000 1.444 383 Y CB -1.069 37.392 38.460 0.002 0.000 1.445 383 Y HN 0.982 nan 8.280 nan 0.000 0.583 384 G N -0.679 108.120 108.800 -0.001 0.000 2.212 384 G HA2 -0.324 3.636 3.960 0.000 0.000 0.266 384 G HA3 -0.324 3.636 3.960 0.000 0.000 0.266 384 G C 0.273 175.163 174.900 -0.017 0.000 0.978 384 G CA 0.323 45.390 45.100 -0.056 0.000 0.632 384 G HN 0.650 nan 8.290 nan 0.000 0.537 385 L N -0.146 121.092 121.223 0.025 0.000 2.360 385 L HA 0.689 5.029 4.340 0.000 0.000 0.271 385 L C 0.272 177.167 176.870 0.041 0.000 1.057 385 L CA -1.116 53.743 54.840 0.032 0.000 0.803 385 L CB 1.357 43.446 42.059 0.051 0.000 1.207 385 L HN -0.011 nan 8.230 nan 0.000 0.445 386 Q N 2.240 122.061 119.800 0.035 0.000 2.257 386 Q HA 0.592 4.932 4.340 0.000 0.000 0.255 386 Q C -1.127 174.895 176.000 0.036 0.000 0.920 386 Q CA 0.063 55.888 55.803 0.037 0.000 0.927 386 Q CB 1.804 30.562 28.738 0.033 0.000 1.229 386 Q HN 0.395 nan 8.270 nan 0.000 0.433 387 L N 2.920 124.166 121.223 0.039 0.000 2.319 387 L HA 0.587 4.927 4.340 0.000 0.000 0.281 387 L C -0.768 176.123 176.870 0.036 0.000 1.005 387 L CA -0.374 54.488 54.840 0.036 0.000 0.828 387 L CB 1.243 43.325 42.059 0.038 0.000 1.227 387 L HN 0.542 nan 8.230 nan 0.000 0.415 388 M N 4.598 124.217 119.600 0.032 0.000 2.456 388 M HA 0.554 5.034 4.480 0.000 0.000 0.324 388 M C -1.137 175.181 176.300 0.030 0.000 1.124 388 M CA -0.155 55.163 55.300 0.030 0.000 0.959 388 M CB 1.898 34.513 32.600 0.026 0.000 1.692 388 M HN 0.689 nan 8.290 nan 0.000 0.444 389 Q N 2.194 122.012 119.800 0.031 0.000 2.630 389 Q HA 0.461 4.801 4.340 0.000 0.000 0.295 389 Q C -1.804 174.213 176.000 0.028 0.000 0.944 389 Q CA -1.279 54.543 55.803 0.030 0.000 0.766 389 Q CB 1.289 30.050 28.738 0.039 0.000 1.471 389 Q HN 0.531 nan 8.270 nan 0.000 0.416 390 K N 1.795 122.209 120.400 0.023 0.000 2.234 390 K HA 0.236 4.556 4.320 0.000 0.000 0.282 390 K C -0.275 176.341 176.600 0.027 0.000 1.039 390 K CA -0.293 56.005 56.287 0.019 0.000 0.928 390 K CB 0.828 33.334 32.500 0.009 0.000 1.039 390 K HN 0.804 nan 8.250 nan 0.000 0.470 391 R N 2.640 123.158 120.500 0.031 0.000 2.827 391 R HA 0.028 4.368 4.340 0.000 0.000 0.269 391 R C 0.152 176.472 176.300 0.033 0.000 1.048 391 R CA -0.317 55.811 56.100 0.046 0.000 1.173 391 R CB 0.193 30.525 30.300 0.054 0.000 1.070 391 R HN 0.422 nan 8.270 nan 0.000 0.498 392 N N 1.217 119.941 118.700 0.041 0.000 2.555 392 N HA 0.014 4.754 4.740 0.000 0.000 0.244 392 N C -0.939 174.568 175.510 -0.005 0.000 1.114 392 N CA 0.032 53.084 53.050 0.004 0.000 0.963 392 N CB -0.036 38.439 38.487 -0.020 0.000 1.276 392 N HN 0.628 nan 8.380 nan 0.000 0.510 393 N N 0.947 119.642 118.700 -0.009 0.000 2.268 393 N HA 0.099 4.839 4.740 0.000 0.000 0.204 393 N C -0.034 175.457 175.510 -0.032 0.000 1.124 393 N CA -0.324 52.719 53.050 -0.010 0.000 0.838 393 N CB 0.425 38.906 38.487 -0.011 0.000 0.994 393 N HN 0.449 nan 8.380 nan 0.000 0.489 394 A N 1.216 124.005 122.820 -0.051 0.000 2.524 394 A HA 0.066 4.386 4.320 0.000 0.000 0.271 394 A C 0.419 177.960 177.584 -0.071 0.000 1.097 394 A CA 0.086 52.083 52.037 -0.067 0.000 0.791 394 A CB -0.276 18.673 19.000 -0.085 0.000 1.028 394 A HN 0.050 nan 8.150 nan 0.000 0.518 395 V N 5.042 124.916 119.914 -0.066 0.000 2.521 395 V HA 0.087 4.207 4.120 0.000 0.000 0.286 395 V C 0.512 176.551 176.094 -0.092 0.000 1.034 395 V CA 0.381 62.641 62.300 -0.067 0.000 1.045 395 V CB 0.540 32.325 31.823 -0.063 0.000 0.974 395 V HN 0.647 nan 8.190 nan 0.000 0.480 396 I N 6.037 126.556 120.570 -0.085 0.000 2.330 396 I HA 0.481 4.651 4.170 0.000 0.000 0.289 396 I C -0.459 175.585 176.117 -0.121 0.000 1.001 396 I CA -0.268 60.964 61.300 -0.113 0.000 1.193 396 I CB 1.303 39.261 38.000 -0.071 0.000 1.345 396 I HN 0.809 nan 8.210 nan 0.000 0.461 397 D N 4.478 124.752 120.400 -0.211 0.000 2.752 397 D HA 0.321 4.961 4.640 0.000 0.000 0.313 397 D C 0.603 176.681 176.300 -0.370 0.000 1.225 397 D CA -0.863 53.020 54.000 -0.196 0.000 0.976 397 D CB 0.696 41.417 40.800 -0.131 0.000 1.443 397 D HN 0.171 nan 8.370 nan 0.000 0.515 398 R N -0.232 120.146 120.500 -0.203 0.000 2.119 398 R HA -0.167 4.173 4.340 0.000 0.000 0.246 398 R C 2.019 178.146 176.300 -0.288 0.000 1.146 398 R CA 2.021 58.026 56.100 -0.159 0.000 0.962 398 R CB -0.676 29.614 30.300 -0.016 0.000 0.863 398 R HN 0.518 nan 8.270 nan 0.000 0.442 399 S N 0.862 116.425 115.700 -0.228 0.000 2.423 399 S HA -0.166 4.304 4.470 0.000 0.000 0.238 399 S C 1.799 176.246 174.600 -0.255 0.000 1.028 399 S CA 1.148 59.236 58.200 -0.187 0.000 1.000 399 S CB -0.151 62.964 63.200 -0.142 0.000 0.797 399 S HN 0.281 nan 8.310 nan 0.000 0.487 400 L N 0.306 121.238 121.223 -0.485 0.000 2.291 400 L HA 0.274 4.614 4.340 0.000 0.000 0.214 400 L C 0.580 177.236 176.870 -0.357 0.000 1.120 400 L CA 1.404 55.947 54.840 -0.496 0.000 0.799 400 L CB -0.532 41.121 42.059 -0.677 0.000 0.925 400 L HN 0.355 nan 8.230 nan 0.000 0.446 401 F N -0.940 118.995 119.950 -0.026 0.000 2.798 401 F HA 0.260 4.787 4.527 0.000 0.000 0.291 401 F C 1.677 177.465 175.800 -0.019 0.000 1.174 401 F CA -0.372 57.614 58.000 -0.022 0.000 1.392 401 F CB -1.037 37.942 39.000 -0.034 0.000 0.966 401 F HN -0.021 nan 8.300 nan 0.000 0.509 402 K N 0.076 120.520 120.400 0.073 0.000 2.137 402 K HA -0.077 4.243 4.320 0.000 0.000 0.202 402 K C 0.782 177.412 176.600 0.050 0.000 1.052 402 K CA 0.621 56.935 56.287 0.045 0.000 0.961 402 K CB -0.038 32.464 32.500 0.002 0.000 0.741 402 K HN 0.048 nan 8.250 nan 0.000 0.452 403 N N 1.856 120.589 118.700 0.054 0.000 2.968 403 N HA 0.086 4.826 4.740 0.000 0.000 0.271 403 N C -1.009 174.535 175.510 0.055 0.000 1.174 403 N CA -0.006 53.074 53.050 0.049 0.000 1.096 403 N CB -0.187 38.329 38.487 0.048 0.000 1.403 403 N HN 0.039 nan 8.380 nan 0.000 0.522 404 I N 2.466 123.061 120.570 0.042 0.000 2.379 404 I HA -0.010 4.160 4.170 0.000 0.000 0.290 404 I C 1.453 177.566 176.117 -0.006 0.000 1.063 404 I CA -0.465 60.850 61.300 0.025 0.000 1.351 404 I CB 1.074 39.090 38.000 0.027 0.000 1.410 404 I HN 0.286 nan 8.210 nan 0.000 0.505 405 V N 1.965 121.850 119.914 -0.048 0.000 3.649 405 V HA 0.051 4.171 4.120 0.000 0.000 0.275 405 V C 0.944 176.993 176.094 -0.075 0.000 1.281 405 V CA 0.244 62.494 62.300 -0.083 0.000 1.143 405 V CB -0.843 30.861 31.823 -0.199 0.000 0.892 405 V HN 0.794 nan 8.190 nan 0.000 0.441 406 T N -2.771 111.751 114.554 -0.053 0.000 2.936 406 T HA 0.441 4.791 4.350 0.000 0.000 0.282 406 T C 0.763 175.452 174.700 -0.018 0.000 1.003 406 T CA -0.475 61.603 62.100 -0.038 0.000 1.005 406 T CB 1.975 70.823 68.868 -0.032 0.000 1.097 406 T HN 0.211 nan 8.240 nan 0.000 0.532 407 K N 0.434 120.825 120.400 -0.016 0.000 2.009 407 K HA -0.070 4.250 4.320 0.000 0.000 0.210 407 K C 1.176 177.774 176.600 -0.002 0.000 1.049 407 K CA 0.881 57.163 56.287 -0.009 0.000 0.929 407 K CB -0.287 32.207 32.500 -0.009 0.000 0.714 407 K HN 0.497 nan 8.250 nan 0.000 0.440 408 N N 1.680 120.379 118.700 -0.002 0.000 2.483 408 N HA -0.034 4.706 4.740 0.000 0.000 0.264 408 N C -0.390 175.133 175.510 0.023 0.000 1.197 408 N CA 0.737 53.792 53.050 0.010 0.000 0.927 408 N CB 0.698 39.188 38.487 0.006 0.000 1.065 408 N HN 0.109 nan 8.380 nan 0.000 0.461 409 K N 1.302 121.721 120.400 0.031 0.000 2.706 409 K HA 0.132 4.452 4.320 0.000 0.000 0.203 409 K C -0.582 176.044 176.600 0.043 0.000 1.102 409 K CA -0.258 56.050 56.287 0.034 0.000 1.058 409 K CB 0.594 33.106 32.500 0.020 0.000 0.779 409 K HN 0.401 nan 8.250 nan 0.000 0.483 410 T N 1.700 116.300 114.554 0.076 0.000 2.799 410 T HA 0.181 4.531 4.350 0.000 0.000 0.296 410 T C -0.343 174.395 174.700 0.065 0.000 0.947 410 T CA 0.156 62.310 62.100 0.090 0.000 1.141 410 T CB 0.572 69.532 68.868 0.154 0.000 0.891 410 T HN 0.031 nan 8.240 nan 0.000 0.533 411 L N 6.899 128.081 121.223 -0.068 0.000 2.457 411 L HA 0.334 4.674 4.340 0.000 0.000 0.259 411 L C -2.163 174.558 176.870 -0.248 0.000 1.377 411 L CA -1.534 53.158 54.840 -0.246 0.000 0.887 411 L CB 1.001 42.963 42.059 -0.162 0.000 1.085 411 L HN 0.426 nan 8.230 nan 0.000 0.509 412 P HA 0.109 nan 4.420 nan 0.000 0.271 412 P C 0.260 177.436 177.300 -0.207 0.000 1.233 412 P CA -0.109 62.877 63.100 -0.190 0.000 0.789 412 P CB 1.054 32.660 31.700 -0.156 0.000 0.951 413 E N 0.555 120.683 120.200 -0.120 0.000 2.110 413 E HA -0.138 4.212 4.350 0.000 0.000 0.193 413 E C 2.003 178.533 176.600 -0.117 0.000 0.988 413 E CA 1.801 58.144 56.400 -0.095 0.000 0.804 413 E CB -0.808 28.863 29.700 -0.047 0.000 0.745 413 E HN 0.613 nan 8.360 nan 0.000 0.458 414 S N 1.178 116.808 115.700 -0.116 0.000 2.370 414 S HA -0.148 4.322 4.470 0.000 0.000 0.226 414 S C 2.258 176.749 174.600 -0.181 0.000 1.033 414 S CA 1.406 59.544 58.200 -0.104 0.000 1.011 414 S CB -0.375 62.787 63.200 -0.064 0.000 0.852 414 S HN 0.278 nan 8.310 nan 0.000 0.457 415 A N 1.303 123.913 122.820 -0.350 0.000 1.930 415 A HA 0.120 4.440 4.320 0.000 0.000 0.217 415 A C 2.428 179.735 177.584 -0.462 0.000 1.175 415 A CA 1.439 53.131 52.037 -0.575 0.000 0.627 415 A CB -1.042 17.123 19.000 -1.392 0.000 0.815 415 A HN 0.445 nan 8.150 nan 0.000 0.443 416 V N 0.277 119.970 119.914 -0.370 0.000 2.295 416 V HA -0.267 3.853 4.120 0.000 0.000 0.246 416 V C 2.666 178.677 176.094 -0.139 0.000 1.049 416 V CA 2.288 64.415 62.300 -0.288 0.000 1.024 416 V CB -0.791 30.985 31.823 -0.079 0.000 0.648 416 V HN 0.704 nan 8.190 nan 0.000 0.447 417 R N 0.215 120.662 120.500 -0.089 0.000 2.080 417 R HA -0.220 4.120 4.340 0.000 0.000 0.236 417 R C 2.030 178.308 176.300 -0.036 0.000 1.137 417 R CA 2.410 58.492 56.100 -0.029 0.000 0.943 417 R CB -0.501 29.782 30.300 -0.029 0.000 0.846 417 R HN 0.524 nan 8.270 nan 0.000 0.431 418 D N 0.753 121.104 120.400 -0.081 0.000 2.117 418 D HA -0.154 4.486 4.640 0.000 0.000 0.197 418 D C 2.075 178.331 176.300 -0.072 0.000 0.987 418 D CA 1.105 55.067 54.000 -0.064 0.000 0.829 418 D CB -0.289 40.474 40.800 -0.061 0.000 0.961 418 D HN 0.303 nan 8.370 nan 0.000 0.460 419 L N 0.486 121.606 121.223 -0.171 0.000 2.265 419 L HA -0.106 4.234 4.340 0.000 0.000 0.215 419 L C 2.414 179.300 176.870 0.026 0.000 1.117 419 L CA 0.506 55.225 54.840 -0.201 0.000 0.782 419 L CB -0.158 41.505 42.059 -0.660 0.000 0.914 419 L HN 0.035 nan 8.230 nan 0.000 0.441 420 I N -1.404 119.230 120.570 0.107 0.000 2.333 420 I HA -0.188 3.982 4.170 0.000 0.000 0.246 420 I C 2.346 178.523 176.117 0.101 0.000 1.106 420 I CA 0.619 62.047 61.300 0.214 0.000 1.411 420 I CB 0.013 38.133 38.000 0.201 0.000 1.082 420 I HN -0.010 nan 8.210 nan 0.000 0.420 421 V N 1.157 121.104 119.914 0.055 0.000 2.343 421 V HA -0.266 3.854 4.120 0.000 0.000 0.247 421 V C 2.691 178.811 176.094 0.044 0.000 1.051 421 V CA 2.024 64.350 62.300 0.044 0.000 1.036 421 V CB -0.914 30.923 31.823 0.023 0.000 0.654 421 V HN 0.470 nan 8.190 nan 0.000 0.451 422 A N -0.668 122.168 122.820 0.027 0.000 1.930 422 A HA -0.166 4.154 4.320 0.000 0.000 0.217 422 A C 2.470 180.071 177.584 0.028 0.000 1.175 422 A CA 2.070 54.119 52.037 0.020 0.000 0.627 422 A CB -0.530 18.467 19.000 -0.004 0.000 0.815 422 A HN 0.501 nan 8.150 nan 0.000 0.443 423 S N -0.211 115.518 115.700 0.049 0.000 2.371 423 S HA -0.031 4.439 4.470 0.000 0.000 0.224 423 S C 1.796 176.405 174.600 0.014 0.000 1.029 423 S CA 1.254 59.480 58.200 0.043 0.000 0.978 423 S CB -0.401 62.863 63.200 0.108 0.000 0.833 423 S HN 0.550 nan 8.310 nan 0.000 0.466 424 I N 1.714 122.309 120.570 0.041 0.000 2.252 424 I HA -0.186 3.984 4.170 0.000 0.000 0.245 424 I C 2.708 178.880 176.117 0.092 0.000 1.102 424 I CA 1.009 62.340 61.300 0.053 0.000 1.385 424 I CB -0.540 37.515 38.000 0.092 0.000 1.064 424 I HN 0.255 nan 8.210 nan 0.000 0.414 425 A N 0.657 123.536 122.820 0.097 0.000 1.883 425 A HA -0.167 4.153 4.320 0.000 0.000 0.217 425 A C 2.448 180.069 177.584 0.063 0.000 1.186 425 A CA 1.785 53.894 52.037 0.119 0.000 0.624 425 A CB -1.042 18.008 19.000 0.082 0.000 0.822 425 A HN 0.225 nan 8.150 nan 0.000 0.444 426 V N 0.448 120.369 119.914 0.012 0.000 2.332 426 V HA -0.306 3.814 4.120 0.000 0.000 0.248 426 V C 2.557 178.595 176.094 -0.093 0.000 1.055 426 V CA 2.443 64.731 62.300 -0.021 0.000 1.038 426 V CB -0.671 31.137 31.823 -0.025 0.000 0.651 426 V HN 0.715 nan 8.190 nan 0.000 0.450 427 K N -0.792 119.498 120.400 -0.184 0.000 2.152 427 K HA -0.205 4.115 4.320 0.000 0.000 0.206 427 K C 1.317 177.470 176.600 -0.745 0.000 1.048 427 K CA 1.824 57.850 56.287 -0.435 0.000 0.933 427 K CB -0.109 32.057 32.500 -0.557 0.000 0.721 427 K HN 0.561 nan 8.250 nan 0.000 0.447 428 Y N 0.277 120.469 120.300 -0.181 0.000 2.658 428 Y HA 0.223 4.773 4.550 0.000 0.000 0.276 428 Y C -0.026 175.853 175.900 -0.035 0.000 1.167 428 Y CA -0.248 57.702 58.100 -0.250 0.000 1.230 428 Y CB 0.735 39.216 38.460 0.035 0.000 1.144 428 Y HN -0.154 nan 8.280 nan 0.000 0.529 429 T N 0.692 115.284 114.554 0.063 0.000 2.945 429 T HA 0.324 4.674 4.350 0.000 0.000 0.286 429 T C -0.154 174.662 174.700 0.193 0.000 1.025 429 T CA -0.866 61.298 62.100 0.107 0.000 1.039 429 T CB 1.352 70.240 68.868 0.033 0.000 1.068 429 T HN -0.123 nan 8.240 nan 0.000 0.497 430 Q N 1.262 121.138 119.800 0.127 0.000 2.293 430 Q HA 0.418 4.758 4.340 0.000 0.000 0.251 430 Q C -0.092 175.849 176.000 -0.098 0.000 0.930 430 Q CA -0.170 55.641 55.803 0.014 0.000 0.893 430 Q CB 1.161 29.924 28.738 0.040 0.000 1.215 430 Q HN 0.568 nan 8.270 nan 0.000 0.425 431 S N 2.031 117.523 115.700 -0.346 0.000 2.617 431 S HA 0.213 4.683 4.470 0.000 0.000 0.269 431 S C 0.346 174.853 174.600 -0.155 0.000 1.292 431 S CA -0.757 57.250 58.200 -0.321 0.000 1.010 431 S CB 0.416 63.230 63.200 -0.644 0.000 0.944 431 S HN 0.657 nan 8.310 nan 0.000 0.536 432 N N 0.188 118.795 118.700 -0.155 0.000 2.445 432 N HA 0.498 5.238 4.740 0.000 0.000 0.264 432 N C -0.925 174.560 175.510 -0.042 0.000 1.227 432 N CA -0.624 52.329 53.050 -0.162 0.000 0.963 432 N CB 0.490 38.903 38.487 -0.124 0.000 1.188 432 N HN 0.541 nan 8.380 nan 0.000 0.491 433 S N -1.555 114.146 115.700 0.002 0.000 2.533 433 S HA 0.641 5.111 4.470 0.000 0.000 0.271 433 S C -1.260 173.366 174.600 0.043 0.000 1.143 433 S CA -0.932 57.287 58.200 0.031 0.000 0.891 433 S CB 0.877 64.089 63.200 0.020 0.000 1.105 433 S HN 0.447 nan 8.310 nan 0.000 0.468 434 V N 0.886 120.844 119.914 0.072 0.000 2.735 434 V HA 0.763 4.883 4.120 0.000 0.000 0.310 434 V C -0.610 175.533 176.094 0.081 0.000 1.061 434 V CA -0.667 61.673 62.300 0.067 0.000 0.913 434 V CB 1.713 33.609 31.823 0.121 0.000 1.005 434 V HN 1.232 nan 8.190 nan 0.000 0.428 435 C N 4.874 124.186 119.300 0.020 0.000 2.431 435 C HA 0.735 5.195 4.460 0.000 0.000 0.321 435 C C -1.219 173.781 174.990 0.017 0.000 1.202 435 C CA -0.641 58.419 59.018 0.071 0.000 1.398 435 C CB 0.432 28.198 27.740 0.042 0.000 2.047 435 C HN 0.778 nan 8.230 nan 0.000 0.465 436 Y N 3.854 124.148 120.300 -0.009 0.000 2.330 436 Y HA 0.659 5.209 4.550 0.000 0.000 0.336 436 Y C 0.627 176.467 175.900 -0.100 0.000 1.036 436 Y CA -0.005 58.072 58.100 -0.038 0.000 1.125 436 Y CB 1.468 39.904 38.460 -0.039 0.000 1.194 436 Y HN 0.950 nan 8.280 nan 0.000 0.469 437 A N 3.694 126.533 122.820 0.031 0.000 2.515 437 A HA 0.915 5.235 4.320 0.000 0.000 0.296 437 A C -1.187 176.344 177.584 -0.089 0.000 1.094 437 A CA -0.876 51.119 52.037 -0.069 0.000 0.718 437 A CB 2.241 21.214 19.000 -0.044 0.000 1.307 437 A HN 0.696 nan 8.150 nan 0.000 0.408 438 K N 0.608 120.918 120.400 -0.150 0.000 2.598 438 K HA 0.403 4.723 4.320 0.000 0.000 0.271 438 K C -1.505 175.056 176.600 -0.065 0.000 0.947 438 K CA -0.326 55.902 56.287 -0.099 0.000 0.854 438 K CB 1.139 33.565 32.500 -0.124 0.000 1.401 438 K HN 0.627 nan 8.250 nan 0.000 0.415 439 D N 2.039 122.446 120.400 0.013 0.000 2.800 439 D HA -0.158 4.482 4.640 0.000 0.000 0.232 439 D C 0.501 176.830 176.300 0.048 0.000 1.137 439 D CA 2.057 56.095 54.000 0.064 0.000 0.718 439 D CB -1.374 39.517 40.800 0.152 0.000 1.084 439 D HN 1.107 nan 8.370 nan 0.000 0.432 440 G N -0.018 108.792 108.800 0.016 0.000 2.160 440 G HA2 -0.296 3.664 3.960 0.000 0.000 0.251 440 G HA3 -0.296 3.664 3.960 0.000 0.000 0.251 440 G C 0.140 175.051 174.900 0.018 0.000 1.008 440 G CA 1.301 46.412 45.100 0.020 0.000 0.724 440 G HN 0.863 nan 8.290 nan 0.000 0.514 441 Q N -1.794 117.997 119.800 -0.015 0.000 2.565 441 Q HA 0.746 5.086 4.340 0.000 0.000 0.294 441 Q C -0.760 175.181 176.000 -0.099 0.000 1.005 441 Q CA -1.176 54.609 55.803 -0.030 0.000 0.771 441 Q CB 1.825 30.557 28.738 -0.011 0.000 1.486 441 Q HN 0.362 nan 8.270 nan 0.000 0.422 442 V N 2.493 122.360 119.914 -0.079 0.000 2.649 442 V HA 0.204 4.324 4.120 0.000 0.000 0.292 442 V C 0.763 176.707 176.094 -0.249 0.000 1.055 442 V CA 0.114 62.355 62.300 -0.099 0.000 1.023 442 V CB 0.911 32.722 31.823 -0.020 0.000 0.992 442 V HN 0.832 nan 8.190 nan 0.000 0.480 443 I N 0.933 121.310 120.570 -0.321 0.000 4.439 443 I HA 0.675 4.845 4.170 0.000 0.000 0.331 443 I C 0.650 176.652 176.117 -0.192 0.000 1.345 443 I CA 0.044 60.991 61.300 -0.588 0.000 1.193 443 I CB 0.986 38.275 38.000 -1.185 0.000 1.221 443 I HN 0.619 nan 8.210 nan 0.000 0.429 444 G N 2.316 111.088 108.800 -0.046 0.000 2.552 444 G HA2 0.601 4.561 3.960 0.000 0.000 0.288 444 G HA3 0.601 4.561 3.960 0.000 0.000 0.288 444 G C -1.879 173.105 174.900 0.140 0.000 1.358 444 G CA -0.298 44.818 45.100 0.027 0.000 1.305 444 G HN 0.160 nan 8.290 nan 0.000 0.602 445 I N 2.037 122.670 120.570 0.106 0.000 2.533 445 I HA 0.774 4.944 4.170 0.000 0.000 0.290 445 I C 0.129 176.307 176.117 0.102 0.000 1.056 445 I CA -0.806 60.561 61.300 0.112 0.000 1.057 445 I CB 2.114 40.150 38.000 0.061 0.000 1.240 445 I HN 0.593 nan 8.210 nan 0.000 0.423 446 G N 5.838 114.706 108.800 0.114 0.000 2.478 446 G HA2 0.786 4.746 3.960 0.000 0.000 0.317 446 G HA3 0.786 4.746 3.960 0.000 0.000 0.317 446 G C -1.303 173.638 174.900 0.068 0.000 1.259 446 G CA -0.382 44.776 45.100 0.097 0.000 0.933 446 G HN 0.817 nan 8.290 nan 0.000 0.478 447 A N 1.098 123.949 122.820 0.052 0.000 2.423 447 A HA 0.864 5.184 4.320 0.000 0.000 0.304 447 A C 1.038 178.641 177.584 0.033 0.000 1.104 447 A CA 0.121 52.180 52.037 0.036 0.000 0.757 447 A CB 1.265 20.284 19.000 0.031 0.000 1.313 447 A HN 2.439 nan 8.150 nan 0.000 0.423 448 G N 0.022 108.835 108.800 0.021 0.000 2.187 448 G HA2 -0.218 3.742 3.960 0.000 0.000 0.261 448 G HA3 -0.218 3.742 3.960 0.000 0.000 0.261 448 G C 0.280 175.195 174.900 0.024 0.000 1.000 448 G CA 0.798 45.914 45.100 0.027 0.000 0.718 448 G HN 0.770 nan 8.290 nan 0.000 0.519 449 Q N -0.811 119.004 119.800 0.025 0.000 2.396 449 Q HA 0.426 4.767 4.340 0.000 0.000 0.221 449 Q C 1.435 177.444 176.000 0.015 0.000 1.025 449 Q CA 0.106 55.934 55.803 0.041 0.000 0.946 449 Q CB 0.459 29.243 28.738 0.077 0.000 1.224 449 Q HN 0.663 nan 8.270 nan 0.000 0.539 450 Q N -0.625 119.196 119.800 0.035 0.000 2.189 450 Q HA 0.240 4.580 4.340 0.000 0.000 0.223 450 Q C -0.174 175.813 176.000 -0.021 0.000 0.828 450 Q CA -0.040 55.763 55.803 -0.001 0.000 0.967 450 Q CB 1.229 29.974 28.738 0.012 0.000 1.139 450 Q HN 0.325 nan 8.270 nan 0.000 0.497 451 S N -0.374 115.317 115.700 -0.016 0.000 2.536 451 S HA 0.413 4.883 4.470 0.000 0.000 0.287 451 S C 0.005 174.577 174.600 -0.046 0.000 1.101 451 S CA -0.568 57.557 58.200 -0.125 0.000 0.950 451 S CB 1.654 64.567 63.200 -0.477 0.000 1.056 451 S HN 0.102 nan 8.310 nan 0.000 0.481 452 R N 2.806 123.282 120.500 -0.040 0.000 2.062 452 R HA 0.084 4.424 4.340 0.000 0.000 0.229 452 R C 1.956 178.315 176.300 0.099 0.000 1.128 452 R CA 1.896 58.025 56.100 0.049 0.000 0.960 452 R CB -0.984 29.353 30.300 0.062 0.000 0.855 452 R HN 0.713 nan 8.270 nan 0.000 0.432 453 I N 0.585 121.182 120.570 0.046 0.000 2.163 453 I HA -0.288 3.882 4.170 0.000 0.000 0.243 453 I C 1.652 177.876 176.117 0.177 0.000 1.085 453 I CA 1.934 63.288 61.300 0.089 0.000 1.347 453 I CB -0.600 37.448 38.000 0.081 0.000 1.044 453 I HN 0.357 nan 8.210 nan 0.000 0.408 454 H N -1.456 117.659 119.070 0.075 0.000 2.387 454 H HA -0.230 4.326 4.556 0.000 0.000 0.299 454 H C 2.464 177.837 175.328 0.076 0.000 1.099 454 H CA 1.252 57.339 56.048 0.065 0.000 1.315 454 H CB -0.295 29.497 29.762 0.050 0.000 1.380 454 H HN 0.480 nan 8.280 nan 0.000 0.513 455 C N 0.560 119.987 119.300 0.211 0.000 2.457 455 C HA -0.105 4.355 4.460 0.000 0.000 0.278 455 C C 2.784 177.893 174.990 0.199 0.000 1.309 455 C CA 1.371 60.490 59.018 0.169 0.000 1.735 455 C CB -0.863 26.956 27.740 0.133 0.000 1.992 455 C HN 0.582 nan 8.230 nan 0.000 0.493 456 T N 0.411 115.092 114.554 0.212 0.000 2.708 456 T HA -0.154 4.196 4.350 0.000 0.000 0.266 456 T C 1.933 176.795 174.700 0.270 0.000 1.037 456 T CA 1.306 63.562 62.100 0.260 0.000 1.146 456 T CB -0.277 68.686 68.868 0.158 0.000 0.865 456 T HN 0.585 nan 8.240 nan 0.000 0.435 457 R N 0.475 121.081 120.500 0.177 0.000 2.083 457 R HA 0.035 4.375 4.340 0.000 0.000 0.237 457 R C 2.530 178.882 176.300 0.086 0.000 1.137 457 R CA 1.072 57.242 56.100 0.117 0.000 0.951 457 R CB -0.649 29.710 30.300 0.098 0.000 0.851 457 R HN 0.309 nan 8.270 nan 0.000 0.434 458 L N 0.300 121.583 121.223 0.101 0.000 1.994 458 L HA -0.191 4.149 4.340 0.000 0.000 0.208 458 L C 2.397 179.312 176.870 0.074 0.000 1.071 458 L CA 1.640 56.525 54.840 0.075 0.000 0.745 458 L CB -0.389 41.719 42.059 0.082 0.000 0.892 458 L HN 0.260 nan 8.230 nan 0.000 0.431 459 A N -0.447 122.455 122.820 0.137 0.000 1.930 459 A HA -0.094 4.226 4.320 0.000 0.000 0.217 459 A C 2.261 179.767 177.584 -0.131 0.000 1.175 459 A CA 1.387 53.508 52.037 0.141 0.000 0.627 459 A CB -1.221 18.007 19.000 0.381 0.000 0.815 459 A HN 0.544 nan 8.150 nan 0.000 0.443 460 G N 0.135 108.831 108.800 -0.173 0.000 2.446 460 G HA2 -0.262 3.698 3.960 0.000 0.000 0.217 460 G HA3 -0.262 3.698 3.960 0.000 0.000 0.217 460 G C 1.090 175.834 174.900 -0.259 0.000 1.168 460 G CA 1.243 46.036 45.100 -0.511 0.000 0.771 460 G HN 0.462 nan 8.290 nan 0.000 0.551 461 D N 0.656 121.003 120.400 -0.087 0.000 2.178 461 D HA -0.048 4.592 4.640 0.000 0.000 0.201 461 D C 2.441 178.746 176.300 0.009 0.000 0.980 461 D CA 0.802 54.789 54.000 -0.021 0.000 0.842 461 D CB -0.135 40.668 40.800 0.005 0.000 0.948 461 D HN 0.332 nan 8.370 nan 0.000 0.472 462 K N 0.556 120.957 120.400 0.002 0.000 2.148 462 K HA 0.029 4.349 4.320 0.000 0.000 0.204 462 K C 2.108 178.772 176.600 0.107 0.000 1.050 462 K CA 0.890 57.215 56.287 0.063 0.000 0.942 462 K CB 0.010 32.547 32.500 0.062 0.000 0.724 462 K HN 0.027 nan 8.250 nan 0.000 0.446 463 A N 2.046 124.858 122.820 -0.013 0.000 1.933 463 A HA -0.200 4.120 4.320 0.000 0.000 0.218 463 A C 1.748 179.485 177.584 0.254 0.000 1.175 463 A CA 1.577 53.640 52.037 0.043 0.000 0.628 463 A CB -0.658 18.160 19.000 -0.303 0.000 0.814 463 A HN 0.359 nan 8.150 nan 0.000 0.444 464 N N -0.009 118.786 118.700 0.158 0.000 2.069 464 N HA -0.142 4.598 4.740 0.000 0.000 0.191 464 N C 1.991 177.686 175.510 0.309 0.000 1.031 464 N CA 1.457 54.654 53.050 0.245 0.000 0.852 464 N CB -0.172 38.397 38.487 0.138 0.000 1.018 464 N HN 0.439 nan 8.380 nan 0.000 0.423 465 S N 0.586 116.427 115.700 0.236 0.000 2.359 465 S HA -0.205 4.265 4.470 0.000 0.000 0.223 465 S C 1.461 176.247 174.600 0.310 0.000 1.039 465 S CA 1.214 59.547 58.200 0.221 0.000 1.042 465 S CB -0.583 62.728 63.200 0.186 0.000 0.915 465 S HN 0.515 nan 8.310 nan 0.000 0.439 466 W N 1.549 122.986 121.300 0.227 0.000 2.317 466 W HA -0.188 4.472 4.660 0.000 0.000 0.318 466 W C 2.242 179.071 176.519 0.517 0.000 1.227 466 W CA 1.569 59.101 57.345 0.312 0.000 1.269 466 W CB -0.722 28.893 29.460 0.258 0.000 1.155 466 W HN 0.421 nan 8.180 nan 0.000 0.484 467 W N 0.508 121.973 121.300 0.275 0.000 2.354 467 W HA -0.269 4.391 4.660 -0.000 0.000 0.315 467 W C 2.077 178.861 176.519 0.441 0.000 1.206 467 W CA 1.554 58.960 57.345 0.101 0.000 1.290 467 W CB -0.771 28.802 29.460 0.189 0.000 1.152 467 W HN -0.159 nan 8.180 nan 0.000 0.489 468 L N 0.746 122.143 121.223 0.290 0.000 2.189 468 L HA -0.245 4.095 4.340 0.000 0.000 0.214 468 L C 2.467 179.276 176.870 -0.102 0.000 1.097 468 L CA 1.366 56.236 54.840 0.048 0.000 0.764 468 L CB -0.628 41.447 42.059 0.026 0.000 0.900 468 L HN 0.014 nan 8.230 nan 0.000 0.436 469 R N -1.387 119.114 120.500 0.002 0.000 2.316 469 R HA -0.097 4.243 4.340 0.000 0.000 0.202 469 R C 1.486 177.654 176.300 -0.220 0.000 1.029 469 R CA 0.485 56.538 56.100 -0.079 0.000 1.018 469 R CB -0.160 30.097 30.300 -0.070 0.000 0.888 469 R HN 0.418 nan 8.270 nan 0.000 0.471 470 H N -1.504 117.390 119.070 -0.294 0.000 2.553 470 H HA 0.063 4.619 4.556 0.000 0.000 0.265 470 H C 0.223 175.317 175.328 -0.390 0.000 0.964 470 H CA 0.060 55.951 56.048 -0.262 0.000 1.156 470 H CB -0.039 29.558 29.762 -0.275 0.000 1.411 470 H HN 0.102 nan 8.280 nan 0.000 0.558 471 H N 1.641 120.247 119.070 -0.773 0.000 2.886 471 H HA -0.030 4.526 4.556 0.000 0.000 0.329 471 H C -1.659 173.278 175.328 -0.651 0.000 1.044 471 H CA -1.580 53.644 56.048 -1.374 0.000 1.456 471 H CB 1.355 30.269 29.762 -1.414 0.000 1.464 471 H HN 0.103 nan 8.280 nan 0.000 0.573 472 P HA -0.208 nan 4.420 nan 0.000 0.216 472 P C 1.559 178.762 177.300 -0.162 0.000 1.157 472 P CA 1.785 64.659 63.100 -0.377 0.000 0.880 472 P CB 0.051 31.503 31.700 -0.413 0.000 0.791 473 R N -0.468 120.037 120.500 0.008 0.000 2.152 473 R HA -0.095 4.245 4.340 0.000 0.000 0.232 473 R C 1.674 177.975 176.300 0.002 0.000 1.117 473 R CA 1.165 57.297 56.100 0.053 0.000 0.981 473 R CB -0.416 29.976 30.300 0.154 0.000 0.870 473 R HN 0.097 nan 8.270 nan 0.000 0.451 474 V N 0.310 120.241 119.914 0.029 0.000 2.500 474 V HA -0.115 4.005 4.120 0.000 0.000 0.243 474 V C 2.126 178.210 176.094 -0.016 0.000 1.039 474 V CA 1.003 63.315 62.300 0.020 0.000 1.053 474 V CB -0.239 31.622 31.823 0.063 0.000 0.695 474 V HN 0.266 nan 8.190 nan 0.000 0.463 475 L N 1.279 122.455 121.223 -0.078 0.000 2.187 475 L HA -0.130 4.210 4.340 0.000 0.000 0.213 475 L C 2.191 179.020 176.870 -0.069 0.000 1.100 475 L CA 1.831 56.613 54.840 -0.097 0.000 0.765 475 L CB -0.497 41.477 42.059 -0.141 0.000 0.904 475 L HN 0.540 nan 8.230 nan 0.000 0.437 476 S N -1.852 113.810 115.700 -0.064 0.000 2.597 476 S HA 0.221 4.691 4.470 0.000 0.000 0.224 476 S C 0.679 175.260 174.600 -0.033 0.000 0.955 476 S CA -0.454 57.714 58.200 -0.054 0.000 0.933 476 S CB -0.233 62.925 63.200 -0.069 0.000 0.788 476 S HN 0.173 nan 8.310 nan 0.000 0.488 477 M N 2.411 122.012 119.600 0.001 0.000 2.356 477 M HA 0.191 4.671 4.480 0.000 0.000 0.348 477 M C -0.404 175.956 176.300 0.099 0.000 1.595 477 M CA 0.227 55.532 55.300 0.009 0.000 1.095 477 M CB 0.088 32.744 32.600 0.094 0.000 1.963 477 M HN -0.099 nan 8.290 nan 0.000 0.459 478 K N 4.007 124.418 120.400 0.018 0.000 2.250 478 K HA 0.393 4.713 4.320 0.000 0.000 0.280 478 K C -0.956 175.664 176.600 0.034 0.000 1.098 478 K CA 0.166 56.485 56.287 0.053 0.000 0.916 478 K CB 0.054 32.554 32.500 -0.000 0.000 1.209 478 K HN 0.264 nan 8.250 nan 0.000 0.461 479 F N 1.169 121.088 119.950 -0.052 0.000 2.375 479 F HA 0.355 4.882 4.527 0.000 0.000 0.317 479 F C 1.101 176.810 175.800 -0.153 0.000 1.124 479 F CA -0.486 57.384 58.000 -0.216 0.000 1.050 479 F CB 0.754 39.573 39.000 -0.302 0.000 1.314 479 F HN 0.154 nan 8.300 nan 0.000 0.511 480 K N 0.879 121.289 120.400 0.017 0.000 2.185 480 K HA 0.570 4.890 4.320 0.000 0.000 0.271 480 K C -0.200 176.403 176.600 0.006 0.000 1.013 480 K CA -0.690 55.590 56.287 -0.011 0.000 0.943 480 K CB 0.850 33.322 32.500 -0.047 0.000 0.998 480 K HN 0.645 nan 8.250 nan 0.000 0.468 481 A N 0.714 123.530 122.820 -0.006 0.000 2.327 481 A HA 0.488 4.808 4.320 0.000 0.000 0.255 481 A C 1.066 178.633 177.584 -0.029 0.000 1.099 481 A CA 0.387 52.414 52.037 -0.017 0.000 0.801 481 A CB -0.369 18.623 19.000 -0.014 0.000 1.062 481 A HN 0.913 nan 8.150 nan 0.000 0.496 482 G N -1.547 107.230 108.800 -0.038 0.000 2.143 482 G HA2 -0.102 3.858 3.960 0.000 0.000 0.248 482 G HA3 -0.102 3.858 3.960 0.000 0.000 0.248 482 G C -0.038 174.832 174.900 -0.049 0.000 0.991 482 G CA 0.196 45.273 45.100 -0.038 0.000 0.689 482 G HN 1.422 nan 8.290 nan 0.000 0.522 483 V N 1.806 121.677 119.914 -0.072 0.000 2.334 483 V HA 0.317 4.437 4.120 0.000 0.000 0.281 483 V C 0.919 176.934 176.094 -0.132 0.000 1.016 483 V CA -1.016 61.224 62.300 -0.100 0.000 0.832 483 V CB 1.348 33.105 31.823 -0.109 0.000 0.999 483 V HN 0.347 nan 8.190 nan 0.000 0.439 484 K N 4.128 124.473 120.400 -0.091 0.000 2.494 484 K HA 0.093 4.413 4.320 0.000 0.000 0.273 484 K C 1.041 177.578 176.600 -0.104 0.000 0.970 484 K CA -0.403 55.841 56.287 -0.072 0.000 0.963 484 K CB 0.671 33.159 32.500 -0.021 0.000 0.913 484 K HN 0.474 nan 8.250 nan 0.000 0.502 485 R N 1.456 121.910 120.500 -0.077 0.000 2.091 485 R HA -0.182 4.158 4.340 0.000 0.000 0.238 485 R C 2.055 178.335 176.300 -0.032 0.000 1.136 485 R CA 1.800 57.851 56.100 -0.082 0.000 0.959 485 R CB -1.213 29.060 30.300 -0.045 0.000 0.856 485 R HN 0.780 nan 8.270 nan 0.000 0.437 486 A N 1.517 124.366 122.820 0.047 0.000 1.972 486 A HA -0.155 4.165 4.320 0.000 0.000 0.219 486 A C 2.053 179.669 177.584 0.053 0.000 1.169 486 A CA 1.321 53.443 52.037 0.143 0.000 0.635 486 A CB -0.266 18.920 19.000 0.309 0.000 0.810 486 A HN 0.407 nan 8.150 nan 0.000 0.446 487 E N -0.490 119.706 120.200 -0.007 0.000 2.072 487 E HA -0.082 4.268 4.350 0.000 0.000 0.190 487 E C 1.957 178.522 176.600 -0.059 0.000 0.982 487 E CA 1.072 57.455 56.400 -0.029 0.000 0.803 487 E CB -0.184 29.484 29.700 -0.053 0.000 0.755 487 E HN 0.385 nan 8.360 nan 0.000 0.453 488 V N 1.079 120.876 119.914 -0.195 0.000 2.343 488 V HA -0.257 3.863 4.120 0.000 0.000 0.247 488 V C 2.227 178.265 176.094 -0.093 0.000 1.051 488 V CA 1.886 63.962 62.300 -0.373 0.000 1.036 488 V CB -0.440 30.984 31.823 -0.664 0.000 0.654 488 V HN 0.208 nan 8.190 nan 0.000 0.451 489 S N 0.341 116.020 115.700 -0.034 0.000 2.383 489 S HA -0.226 4.244 4.470 0.000 0.000 0.229 489 S C 1.740 176.404 174.600 0.107 0.000 1.030 489 S CA 1.958 60.188 58.200 0.050 0.000 1.002 489 S CB -0.565 62.679 63.200 0.073 0.000 0.829 489 S HN 0.728 nan 8.310 nan 0.000 0.467 490 N N 1.359 120.121 118.700 0.103 0.000 2.207 490 N HA 0.024 4.765 4.740 0.000 0.000 0.182 490 N C 2.084 177.740 175.510 0.243 0.000 1.020 490 N CA 0.863 53.994 53.050 0.135 0.000 0.858 490 N CB -0.254 38.287 38.487 0.090 0.000 0.991 490 N HN 0.387 nan 8.380 nan 0.000 0.427 491 A N 1.828 124.835 122.820 0.313 0.000 1.908 491 A HA -0.116 4.204 4.320 0.000 0.000 0.218 491 A C 2.148 180.169 177.584 0.728 0.000 1.181 491 A CA 1.099 53.493 52.037 0.595 0.000 0.627 491 A CB -0.644 18.605 19.000 0.414 0.000 0.818 491 A HN 0.174 nan 8.150 nan 0.000 0.445 492 I N -0.659 120.214 120.570 0.506 0.000 2.252 492 I HA -0.202 3.968 4.170 0.000 0.000 0.245 492 I C 2.346 178.670 176.117 0.345 0.000 1.102 492 I CA 1.505 63.079 61.300 0.457 0.000 1.385 492 I CB -0.376 37.814 38.000 0.316 0.000 1.064 492 I HN 0.403 nan 8.210 nan 0.000 0.414 493 D N 0.789 121.339 120.400 0.250 0.000 2.104 493 D HA -0.236 4.404 4.640 0.000 0.000 0.194 493 D C 2.127 178.508 176.300 0.135 0.000 0.994 493 D CA 1.704 55.804 54.000 0.168 0.000 0.830 493 D CB 0.048 40.929 40.800 0.136 0.000 0.959 493 D HN 0.431 nan 8.370 nan 0.000 0.452 494 Q N -0.982 118.911 119.800 0.155 0.000 2.084 494 Q HA -0.193 4.147 4.340 0.000 0.000 0.202 494 Q C 2.131 178.115 176.000 -0.027 0.000 0.978 494 Q CA 1.225 57.054 55.803 0.043 0.000 0.844 494 Q CB -0.306 28.449 28.738 0.028 0.000 0.898 494 Q HN 0.403 nan 8.270 nan 0.000 0.426 495 Y N 1.015 121.276 120.300 -0.065 0.000 2.070 495 Y HA -0.286 4.264 4.550 0.000 0.000 0.280 495 Y C 2.086 177.915 175.900 -0.119 0.000 1.148 495 Y CA 1.492 59.501 58.100 -0.151 0.000 1.125 495 Y CB -0.455 38.093 38.460 0.147 0.000 0.975 495 Y HN -0.143 nan 8.280 nan 0.000 0.492 496 V N -0.140 119.746 119.914 -0.046 0.000 2.427 496 V HA -0.272 3.848 4.120 0.000 0.000 0.248 496 V C 2.310 178.329 176.094 -0.126 0.000 1.051 496 V CA 2.398 64.612 62.300 -0.143 0.000 1.048 496 V CB -1.366 30.466 31.823 0.014 0.000 0.666 496 V HN 0.684 nan 8.190 nan 0.000 0.456 497 T N -2.016 112.500 114.554 -0.063 0.000 3.148 497 T HA 0.216 4.566 4.350 0.000 0.000 0.253 497 T C 1.473 176.112 174.700 -0.101 0.000 1.134 497 T CA 0.612 62.680 62.100 -0.054 0.000 1.051 497 T CB 0.027 68.887 68.868 -0.012 0.000 0.959 497 T HN 0.966 nan 8.240 nan 0.000 0.525 498 G N 2.000 110.699 108.800 -0.169 0.000 2.323 498 G HA2 -0.257 3.703 3.960 0.000 0.000 0.292 498 G HA3 -0.257 3.703 3.960 0.000 0.000 0.292 498 G C 0.490 175.298 174.900 -0.153 0.000 1.040 498 G CA 0.586 45.566 45.100 -0.200 0.000 0.942 498 G HN 1.074 nan 8.290 nan 0.000 0.506 499 T N -2.947 111.524 114.554 -0.138 0.000 3.200 499 T HA 0.455 4.805 4.350 0.000 0.000 0.284 499 T C 2.127 176.754 174.700 -0.123 0.000 1.009 499 T CA 0.400 62.438 62.100 -0.103 0.000 0.907 499 T CB 0.103 68.937 68.868 -0.056 0.000 1.120 499 T HN 0.299 nan 8.240 nan 0.000 0.534 500 I N 2.118 122.555 120.570 -0.222 0.000 2.091 500 I HA 0.028 4.198 4.170 0.000 0.000 0.240 500 I C 1.773 177.806 176.117 -0.141 0.000 1.046 500 I CA 2.101 63.221 61.300 -0.299 0.000 1.306 500 I CB -0.773 36.848 38.000 -0.632 0.000 1.018 500 I HN 0.748 nan 8.210 nan 0.000 0.404 501 G N 0.025 108.749 108.800 -0.126 0.000 2.343 501 G HA2 0.018 3.978 3.960 0.000 0.000 0.465 501 G HA3 0.018 3.978 3.960 0.000 0.000 0.465 501 G C -1.276 173.593 174.900 -0.053 0.000 1.282 501 G CA -0.815 44.249 45.100 -0.060 0.000 0.996 501 G HN 0.257 nan 8.290 nan 0.000 0.521 502 E N 0.123 120.309 120.200 -0.024 0.000 2.343 502 E HA 0.617 4.967 4.350 0.000 0.000 0.270 502 E C -0.080 176.523 176.600 0.006 0.000 0.895 502 E CA -0.086 56.305 56.400 -0.015 0.000 0.767 502 E CB 2.233 31.921 29.700 -0.022 0.000 1.248 502 E HN 0.739 nan 8.360 nan 0.000 0.440 503 D N 0.437 120.845 120.400 0.012 0.000 4.089 503 D HA -0.302 4.338 4.640 0.000 0.000 0.141 503 D C 0.706 177.028 176.300 0.036 0.000 0.858 503 D CA 1.652 55.664 54.000 0.020 0.000 1.094 503 D CB -0.483 40.325 40.800 0.013 0.000 0.550 503 D HN 0.760 nan 8.370 nan 0.000 0.562 504 E N 1.005 121.225 120.200 0.034 0.000 2.472 504 E HA -0.083 4.267 4.350 0.000 0.000 0.200 504 E C 0.711 177.346 176.600 0.059 0.000 1.046 504 E CA 1.363 57.788 56.400 0.043 0.000 0.871 504 E CB -0.097 29.622 29.700 0.032 0.000 0.806 504 E HN 0.393 nan 8.360 nan 0.000 0.533 505 D N 0.575 121.010 120.400 0.057 0.000 2.201 505 D HA -0.026 4.614 4.640 0.000 0.000 0.209 505 D C 1.688 178.061 176.300 0.121 0.000 0.961 505 D CA 0.160 54.204 54.000 0.074 0.000 0.861 505 D CB 0.139 40.964 40.800 0.043 0.000 0.997 505 D HN 0.077 nan 8.370 nan 0.000 0.486 506 L N 0.266 121.549 121.223 0.099 0.000 2.093 506 L HA -0.059 4.281 4.340 0.000 0.000 0.208 506 L C 1.809 178.826 176.870 0.244 0.000 1.085 506 L CA 1.307 56.233 54.840 0.144 0.000 0.755 506 L CB -0.262 41.837 42.059 0.065 0.000 0.904 506 L HN -0.062 nan 8.230 nan 0.000 0.435 507 V N -0.147 119.859 119.914 0.155 0.000 2.427 507 V HA -0.271 3.849 4.120 0.000 0.000 0.248 507 V C 2.643 178.823 176.094 0.143 0.000 1.051 507 V CA 1.983 64.363 62.300 0.133 0.000 1.048 507 V CB -0.709 31.161 31.823 0.079 0.000 0.666 507 V HN 0.501 nan 8.190 nan 0.000 0.456 508 K N -1.332 119.157 120.400 0.149 0.000 2.148 508 K HA -0.231 4.089 4.320 0.000 0.000 0.204 508 K C 1.957 178.665 176.600 0.181 0.000 1.050 508 K CA 1.664 58.030 56.287 0.131 0.000 0.942 508 K CB -0.188 32.381 32.500 0.114 0.000 0.724 508 K HN 0.579 nan 8.250 nan 0.000 0.446 509 W N 1.958 123.300 121.300 0.069 0.000 2.381 509 W HA -0.176 4.484 4.660 0.000 0.000 0.323 509 W C 1.784 178.412 176.519 0.182 0.000 1.194 509 W CA 1.644 59.058 57.345 0.116 0.000 1.296 509 W CB -0.464 29.075 29.460 0.132 0.000 1.175 509 W HN 0.063 nan 8.180 nan 0.000 0.465 510 Q N 0.142 120.113 119.800 0.285 0.000 2.389 510 Q HA -0.165 4.175 4.340 0.000 0.000 0.213 510 Q C 1.656 177.680 176.000 0.040 0.000 0.989 510 Q CA 1.142 56.998 55.803 0.089 0.000 0.891 510 Q CB -0.663 28.183 28.738 0.179 0.000 0.923 510 Q HN 0.356 nan 8.270 nan 0.000 0.455 511 A N -0.049 122.772 122.820 0.002 0.000 2.346 511 A HA 0.147 4.467 4.320 0.000 0.000 0.242 511 A C 1.114 178.626 177.584 -0.120 0.000 1.323 511 A CA 0.165 52.181 52.037 -0.034 0.000 0.940 511 A CB -0.192 18.807 19.000 -0.003 0.000 0.943 511 A HN 0.290 nan 8.150 nan 0.000 0.501 512 M N -1.761 117.674 119.600 -0.275 0.000 2.289 512 M HA 0.338 4.818 4.480 0.000 0.000 0.335 512 M C -0.927 174.988 176.300 -0.642 0.000 0.961 512 M CA 0.215 55.251 55.300 -0.440 0.000 1.018 512 M CB 0.726 32.978 32.600 -0.579 0.000 1.678 512 M HN 0.361 nan 8.290 nan 0.000 0.589 513 F N 0.544 120.252 119.950 -0.402 0.000 2.458 513 F HA 0.310 4.837 4.527 0.000 0.000 0.330 513 F C 1.524 177.177 175.800 -0.246 0.000 1.082 513 F CA -0.736 57.000 58.000 -0.440 0.000 0.995 513 F CB 0.857 39.493 39.000 -0.607 0.000 1.170 513 F HN -0.122 nan 8.300 nan 0.000 0.478 514 E N 1.203 121.398 120.200 -0.008 0.000 2.107 514 E HA -0.122 4.228 4.350 0.000 0.000 0.191 514 E C -0.120 176.465 176.600 -0.025 0.000 0.982 514 E CA 1.030 57.420 56.400 -0.017 0.000 0.809 514 E CB -0.016 29.677 29.700 -0.012 0.000 0.756 514 E HN 0.775 nan 8.360 nan 0.000 0.459 515 E N -0.627 119.550 120.200 -0.039 0.000 2.281 515 E HA 0.384 4.734 4.350 0.000 0.000 0.266 515 E C -0.831 175.661 176.600 -0.181 0.000 0.893 515 E CA -0.505 55.844 56.400 -0.084 0.000 0.798 515 E CB 1.709 31.362 29.700 -0.079 0.000 1.245 515 E HN -0.300 nan 8.360 nan 0.000 0.410 516 V N 4.293 124.069 119.914 -0.229 0.000 2.763 516 V HA 0.218 4.338 4.120 0.000 0.000 0.306 516 V C -1.539 174.272 176.094 -0.473 0.000 1.059 516 V CA -0.690 61.324 62.300 -0.477 0.000 1.138 516 V CB 0.195 31.844 31.823 -0.291 0.000 0.940 516 V HN 0.778 nan 8.190 nan 0.000 0.489 517 P HA 0.550 nan 4.420 nan 0.000 0.296 517 P C -1.041 176.146 177.300 -0.189 0.000 1.301 517 P CA -0.571 62.261 63.100 -0.446 0.000 0.862 517 P CB 1.840 33.144 31.700 -0.661 0.000 1.046 518 A N 3.355 126.139 122.820 -0.060 0.000 2.331 518 A HA 0.261 4.581 4.320 0.000 0.000 0.283 518 A C 0.480 178.162 177.584 0.163 0.000 1.142 518 A CA -0.459 51.599 52.037 0.035 0.000 0.812 518 A CB -0.017 18.980 19.000 -0.004 0.000 1.074 518 A HN 0.572 nan 8.150 nan 0.000 0.497 519 Q N 0.703 120.593 119.800 0.149 0.000 2.432 519 Q HA 0.288 4.628 4.340 0.000 0.000 0.264 519 Q C -0.628 175.291 176.000 -0.136 0.000 1.035 519 Q CA 0.231 56.043 55.803 0.014 0.000 0.908 519 Q CB 0.396 29.038 28.738 -0.159 0.000 1.280 519 Q HN 0.656 nan 8.270 nan 0.000 0.455 520 L N 0.918 121.940 121.223 -0.335 0.000 2.399 520 L HA 0.345 4.685 4.340 0.000 0.000 0.266 520 L C 0.869 177.605 176.870 -0.222 0.000 1.114 520 L CA -0.768 53.904 54.840 -0.281 0.000 0.804 520 L CB 0.686 42.484 42.059 -0.435 0.000 1.146 520 L HN 0.731 nan 8.230 nan 0.000 0.451 521 T N -3.006 111.463 114.554 -0.142 0.000 2.810 521 T HA 0.189 4.539 4.350 0.000 0.000 0.277 521 T C 0.931 175.574 174.700 -0.095 0.000 0.973 521 T CA -0.707 61.330 62.100 -0.105 0.000 0.949 521 T CB 1.234 70.064 68.868 -0.063 0.000 1.075 521 T HN 0.519 nan 8.240 nan 0.000 0.537 522 E N 0.514 120.672 120.200 -0.069 0.000 2.058 522 E HA -0.103 4.247 4.350 0.000 0.000 0.194 522 E C 2.490 179.078 176.600 -0.021 0.000 0.997 522 E CA 1.698 58.069 56.400 -0.048 0.000 0.801 522 E CB -1.154 28.525 29.700 -0.036 0.000 0.746 522 E HN 0.801 nan 8.360 nan 0.000 0.450 523 A N 1.475 124.287 122.820 -0.013 0.000 1.883 523 A HA -0.251 4.069 4.320 0.000 0.000 0.217 523 A C 2.107 179.708 177.584 0.029 0.000 1.186 523 A CA 1.890 53.934 52.037 0.010 0.000 0.624 523 A CB -0.607 18.397 19.000 0.007 0.000 0.822 523 A HN 0.256 nan 8.150 nan 0.000 0.444 524 E N -0.492 119.713 120.200 0.007 0.000 2.085 524 E HA -0.205 4.145 4.350 0.000 0.000 0.194 524 E C 2.144 178.774 176.600 0.051 0.000 0.994 524 E CA 1.477 57.893 56.400 0.025 0.000 0.801 524 E CB -0.120 29.556 29.700 -0.040 0.000 0.743 524 E HN 0.608 nan 8.360 nan 0.000 0.453 525 K N 0.658 121.053 120.400 -0.008 0.000 2.031 525 K HA -0.116 4.204 4.320 0.000 0.000 0.205 525 K C 2.172 178.848 176.600 0.127 0.000 1.049 525 K CA 0.902 57.204 56.287 0.025 0.000 0.939 525 K CB -0.041 32.427 32.500 -0.054 0.000 0.717 525 K HN -0.122 nan 8.250 nan 0.000 0.438 526 K N 1.401 121.849 120.400 0.080 0.000 2.147 526 K HA -0.216 4.104 4.320 0.000 0.000 0.205 526 K C 2.206 178.877 176.600 0.119 0.000 1.049 526 K CA 1.379 57.718 56.287 0.086 0.000 0.936 526 K CB 0.108 32.637 32.500 0.047 0.000 0.722 526 K HN 0.111 nan 8.250 nan 0.000 0.446 527 Q N -0.492 119.390 119.800 0.138 0.000 2.083 527 Q HA -0.181 4.159 4.340 0.000 0.000 0.198 527 Q C 1.817 177.955 176.000 0.231 0.000 0.969 527 Q CA 1.323 57.219 55.803 0.155 0.000 0.838 527 Q CB -0.232 28.594 28.738 0.147 0.000 0.900 527 Q HN 0.602 nan 8.270 nan 0.000 0.436 528 W N 0.783 122.153 121.300 0.117 0.000 2.436 528 W HA -0.094 4.566 4.660 -0.000 0.000 0.284 528 W C 1.196 177.920 176.519 0.342 0.000 1.225 528 W CA 0.668 58.114 57.345 0.169 0.000 1.271 528 W CB -0.011 29.521 29.460 0.120 0.000 1.114 528 W HN 0.141 nan 8.180 nan 0.000 0.559 529 I N 1.500 122.271 120.570 0.335 0.000 3.001 529 I HA -0.173 3.997 4.170 0.000 0.000 0.268 529 I C 2.263 178.466 176.117 0.143 0.000 1.267 529 I CA 1.012 62.521 61.300 0.349 0.000 1.472 529 I CB -0.515 37.647 38.000 0.271 0.000 1.089 529 I HN -0.046 nan 8.210 nan 0.000 0.468 530 A N 0.128 123.000 122.820 0.088 0.000 2.308 530 A HA 0.063 4.383 4.320 0.000 0.000 0.217 530 A C 1.896 179.447 177.584 -0.054 0.000 1.216 530 A CA 0.125 52.164 52.037 0.004 0.000 0.864 530 A CB -0.124 18.889 19.000 0.022 0.000 0.902 530 A HN 0.255 nan 8.150 nan 0.000 0.499 531 K N -0.713 119.654 120.400 -0.056 0.000 2.393 531 K HA 0.167 4.487 4.320 0.000 0.000 0.193 531 K C -0.072 176.339 176.600 -0.314 0.000 1.026 531 K CA -0.222 55.992 56.287 -0.121 0.000 1.064 531 K CB 0.001 32.423 32.500 -0.130 0.000 0.833 531 K HN 0.378 nan 8.250 nan 0.000 0.521 532 L N 2.108 122.991 121.223 -0.568 0.000 2.349 532 L HA 0.128 4.468 4.340 0.000 0.000 0.275 532 L C -0.056 176.519 176.870 -0.493 0.000 1.115 532 L CA 0.710 54.956 54.840 -0.991 0.000 0.820 532 L CB 0.838 42.082 42.059 -1.358 0.000 1.135 532 L HN 0.169 nan 8.230 nan 0.000 0.445 533 T N 1.507 115.814 114.554 -0.413 0.000 2.816 533 T HA 0.697 5.047 4.350 0.000 0.000 0.299 533 T C 0.024 174.613 174.700 -0.186 0.000 1.230 533 T CA -0.487 61.463 62.100 -0.251 0.000 1.007 533 T CB 1.194 69.950 68.868 -0.186 0.000 1.289 533 T HN 1.754 nan 8.240 nan 0.000 0.508 534 A N -0.030 122.691 122.820 -0.165 0.000 2.667 534 A HA 0.076 4.396 4.320 0.000 0.000 0.298 534 A C 0.169 177.770 177.584 0.029 0.000 1.483 534 A CA 0.441 52.443 52.037 -0.060 0.000 0.738 534 A CB -2.521 16.528 19.000 0.082 0.000 1.067 534 A HN 1.395 nan 8.150 nan 0.000 0.451 535 V N 0.830 120.703 119.914 -0.068 0.000 2.532 535 V HA 0.650 4.770 4.120 0.000 0.000 0.295 535 V C 0.815 176.955 176.094 0.078 0.000 1.041 535 V CA 0.003 62.308 62.300 0.008 0.000 0.926 535 V CB 1.997 33.813 31.823 -0.011 0.000 0.992 535 V HN 0.705 nan 8.190 nan 0.000 0.457 536 S N 4.218 119.983 115.700 0.109 0.000 2.608 536 S HA 0.800 5.270 4.470 0.000 0.000 0.291 536 S C -0.615 173.980 174.600 -0.009 0.000 1.146 536 S CA -0.550 57.710 58.200 0.100 0.000 1.043 536 S CB 1.584 64.814 63.200 0.050 0.000 1.037 536 S HN 0.635 nan 8.310 nan 0.000 0.520 537 L N 1.386 122.578 121.223 -0.053 0.000 2.445 537 L HA 0.711 5.051 4.340 0.000 0.000 0.262 537 L C -0.970 175.851 176.870 -0.082 0.000 0.974 537 L CA -0.162 54.581 54.840 -0.160 0.000 0.822 537 L CB 2.137 44.018 42.059 -0.296 0.000 1.339 537 L HN 0.708 nan 8.230 nan 0.000 0.409 538 S N 2.024 117.672 115.700 -0.088 0.000 2.536 538 S HA 0.710 5.180 4.470 0.000 0.000 0.287 538 S C -1.298 173.257 174.600 -0.075 0.000 1.101 538 S CA -0.351 57.817 58.200 -0.053 0.000 0.950 538 S CB 1.959 65.147 63.200 -0.020 0.000 1.056 538 S HN 0.651 nan 8.310 nan 0.000 0.481 539 S N 1.456 117.077 115.700 -0.132 0.000 2.521 539 S HA 0.372 4.842 4.470 0.000 0.000 0.295 539 S C 0.213 174.717 174.600 -0.161 0.000 1.098 539 S CA -0.659 57.431 58.200 -0.183 0.000 0.999 539 S CB 1.168 64.077 63.200 -0.486 0.000 1.034 539 S HN 0.854 nan 8.310 nan 0.000 0.483 540 D N 2.665 123.014 120.400 -0.085 0.000 2.363 540 D HA 0.271 4.911 4.640 0.000 0.000 0.226 540 D C 0.402 176.620 176.300 -0.136 0.000 1.020 540 D CA 0.307 54.277 54.000 -0.049 0.000 0.892 540 D CB 0.033 40.884 40.800 0.086 0.000 0.900 540 D HN 0.539 nan 8.370 nan 0.000 0.531 541 A N -0.385 122.309 122.820 -0.210 0.000 2.599 541 A HA 0.534 4.854 4.320 0.000 0.000 0.290 541 A C -0.690 176.628 177.584 -0.444 0.000 1.101 541 A CA -1.116 50.695 52.037 -0.376 0.000 0.674 541 A CB 0.373 19.163 19.000 -0.350 0.000 1.277 541 A HN 0.117 nan 8.150 nan 0.000 0.419 542 F N -0.692 119.084 119.950 -0.289 0.000 2.535 542 F HA 0.657 5.184 4.527 0.000 0.000 0.332 542 F C -0.653 175.003 175.800 -0.241 0.000 1.208 542 F CA -0.949 56.853 58.000 -0.330 0.000 1.330 542 F CB -0.201 38.647 39.000 -0.254 0.000 1.167 542 F HN 0.239 nan 8.300 nan 0.000 0.597 543 F N 2.603 122.725 119.950 0.285 0.000 2.404 543 F HA 0.375 4.902 4.527 0.000 0.000 0.358 543 F C -1.513 174.390 175.800 0.171 0.000 1.120 543 F CA -2.502 55.597 58.000 0.166 0.000 1.144 543 F CB 0.583 39.654 39.000 0.118 0.000 1.133 543 F HN 0.295 nan 8.300 nan 0.000 0.495 544 P HA -0.136 nan 4.420 nan 0.000 0.214 544 P C -0.359 176.676 177.300 -0.441 0.000 1.163 544 P CA 1.747 64.697 63.100 -0.251 0.000 0.883 544 P CB 0.229 31.572 31.700 -0.596 0.000 0.788 545 F N -3.097 116.949 119.950 0.161 0.000 2.691 545 F HA 0.391 4.918 4.527 0.000 0.000 0.334 545 F C 1.734 177.555 175.800 0.036 0.000 1.107 545 F CA -1.188 56.861 58.000 0.083 0.000 0.991 545 F CB 0.125 39.154 39.000 0.049 0.000 1.400 545 F HN -0.364 nan 8.300 nan 0.000 0.503 546 R N 0.038 120.677 120.500 0.233 0.000 2.280 546 R HA -0.040 4.300 4.340 0.000 0.000 0.207 546 R C 0.716 177.018 176.300 0.003 0.000 1.043 546 R CA 1.468 57.611 56.100 0.073 0.000 1.006 546 R CB -0.710 29.622 30.300 0.054 0.000 0.885 546 R HN 0.632 nan 8.270 nan 0.000 0.467 547 D N 1.242 121.675 120.400 0.054 0.000 2.182 547 D HA -0.234 4.406 4.640 0.000 0.000 0.201 547 D C 1.043 177.307 176.300 -0.060 0.000 0.986 547 D CA 1.098 55.110 54.000 0.020 0.000 0.847 547 D CB -0.643 40.206 40.800 0.083 0.000 0.942 547 D HN 0.282 nan 8.370 nan 0.000 0.467 548 N N 0.411 119.012 118.700 -0.165 0.000 2.166 548 N HA -0.098 4.642 4.740 0.000 0.000 0.186 548 N C 2.063 177.301 175.510 -0.452 0.000 1.019 548 N CA 1.400 54.208 53.050 -0.404 0.000 0.856 548 N CB 0.064 37.980 38.487 -0.951 0.000 0.993 548 N HN 0.228 nan 8.380 nan 0.000 0.426 549 V N 1.522 121.206 119.914 -0.384 0.000 2.453 549 V HA -0.120 4.000 4.120 0.000 0.000 0.247 549 V C 1.794 177.817 176.094 -0.118 0.000 1.048 549 V CA 1.377 63.530 62.300 -0.245 0.000 1.049 549 V CB -0.423 31.310 31.823 -0.150 0.000 0.672 549 V HN 0.146 nan 8.190 nan 0.000 0.457 550 D N 0.419 120.770 120.400 -0.082 0.000 2.117 550 D HA -0.186 4.454 4.640 0.000 0.000 0.197 550 D C 2.304 178.591 176.300 -0.022 0.000 0.987 550 D CA 1.491 55.467 54.000 -0.041 0.000 0.829 550 D CB -0.088 40.697 40.800 -0.024 0.000 0.961 550 D HN 0.256 nan 8.370 nan 0.000 0.460 551 R N 1.561 122.051 120.500 -0.016 0.000 2.070 551 R HA -0.089 4.251 4.340 0.000 0.000 0.233 551 R C 2.145 178.485 176.300 0.068 0.000 1.137 551 R CA 1.982 58.099 56.100 0.029 0.000 0.945 551 R CB -0.994 29.336 30.300 0.050 0.000 0.845 551 R HN 0.061 nan 8.270 nan 0.000 0.430 552 A N 0.706 123.567 122.820 0.068 0.000 1.903 552 A HA -0.273 4.047 4.320 0.000 0.000 0.219 552 A C 2.117 179.753 177.584 0.086 0.000 1.191 552 A CA 2.270 54.398 52.037 0.151 0.000 0.638 552 A CB -0.695 18.296 19.000 -0.015 0.000 0.823 552 A HN 0.371 nan 8.150 nan 0.000 0.451 553 K N 0.077 120.479 120.400 0.003 0.000 2.032 553 K HA -0.101 4.219 4.320 0.000 0.000 0.209 553 K C 1.980 178.568 176.600 -0.020 0.000 1.048 553 K CA 1.736 58.006 56.287 -0.028 0.000 0.927 553 K CB -0.396 32.078 32.500 -0.043 0.000 0.712 553 K HN 0.467 nan 8.250 nan 0.000 0.441 554 R N -0.465 120.034 120.500 -0.003 0.000 2.316 554 R HA -0.118 4.223 4.340 0.000 0.000 0.232 554 R C 0.913 177.210 176.300 -0.005 0.000 1.137 554 R CA 1.041 57.139 56.100 -0.002 0.000 1.012 554 R CB -0.276 30.030 30.300 0.010 0.000 0.859 554 R HN 0.224 nan 8.270 nan 0.000 0.474 555 I N -0.871 119.696 120.570 -0.004 0.000 3.833 555 I HA 0.249 4.419 4.170 0.000 0.000 0.328 555 I C 0.559 176.630 176.117 -0.077 0.000 1.554 555 I CA 0.152 61.432 61.300 -0.033 0.000 1.116 555 I CB 0.733 38.698 38.000 -0.057 0.000 1.182 555 I HN 0.223 nan 8.210 nan 0.000 0.459 556 G N 0.700 109.446 108.800 -0.089 0.000 2.143 556 G HA2 -0.200 3.760 3.960 0.000 0.000 0.249 556 G HA3 -0.200 3.760 3.960 0.000 0.000 0.249 556 G C 0.283 175.105 174.900 -0.130 0.000 0.981 556 G CA 0.199 45.213 45.100 -0.143 0.000 0.665 556 G HN 0.291 nan 8.290 nan 0.000 0.528 557 V N 0.624 120.501 119.914 -0.062 0.000 2.572 557 V HA 0.326 4.446 4.120 0.000 0.000 0.291 557 V C 1.290 177.246 176.094 -0.230 0.000 1.039 557 V CA 1.459 63.706 62.300 -0.088 0.000 1.055 557 V CB 1.657 33.469 31.823 -0.017 0.000 0.969 557 V HN 0.528 nan 8.190 nan 0.000 0.482 558 Q N 2.996 122.530 119.800 -0.444 0.000 2.245 558 Q HA 0.283 4.623 4.340 0.000 0.000 0.250 558 Q C -0.797 174.637 176.000 -0.943 0.000 0.830 558 Q CA 0.148 55.493 55.803 -0.764 0.000 0.950 558 Q CB 0.771 28.841 28.738 -1.113 0.000 1.124 558 Q HN 0.675 nan 8.270 nan 0.000 0.502 559 F N 0.570 120.478 119.950 -0.070 0.000 2.556 559 F HA 0.587 5.114 4.527 0.000 0.000 0.314 559 F C -0.388 175.362 175.800 -0.082 0.000 1.106 559 F CA -0.859 57.088 58.000 -0.088 0.000 0.911 559 F CB 1.497 40.420 39.000 -0.128 0.000 1.190 559 F HN -0.172 nan 8.300 nan 0.000 0.448 560 I N 2.711 123.342 120.570 0.102 0.000 2.722 560 I HA 0.598 4.768 4.170 0.000 0.000 0.295 560 I C -1.518 174.640 176.117 0.069 0.000 1.161 560 I CA -1.150 60.194 61.300 0.073 0.000 1.032 560 I CB 2.651 40.723 38.000 0.120 0.000 1.244 560 I HN 0.411 nan 8.210 nan 0.000 0.421 561 V N 4.963 124.907 119.914 0.050 0.000 2.638 561 V HA 0.976 5.096 4.120 0.000 0.000 0.306 561 V C -1.186 174.918 176.094 0.017 0.000 1.052 561 V CA -0.011 62.332 62.300 0.072 0.000 0.885 561 V CB 1.660 33.547 31.823 0.106 0.000 0.999 561 V HN 0.953 nan 8.190 nan 0.000 0.424 562 A N 7.592 130.423 122.820 0.018 0.000 2.594 562 A HA 0.882 5.202 4.320 0.000 0.000 0.296 562 A C -3.297 174.229 177.584 -0.097 0.000 1.056 562 A CA -1.116 50.841 52.037 -0.133 0.000 0.693 562 A CB 2.077 20.844 19.000 -0.387 0.000 1.278 562 A HN 0.644 nan 8.150 nan 0.000 0.408 563 P HA 0.254 nan 4.420 nan 0.000 0.272 563 P C 0.352 177.488 177.300 -0.274 0.000 1.230 563 P CA 0.250 63.258 63.100 -0.153 0.000 0.788 563 P CB 0.867 32.479 31.700 -0.146 0.000 0.949 564 S N -0.095 115.393 115.700 -0.353 0.000 2.546 564 S HA 0.583 5.053 4.470 0.000 0.000 0.265 564 S C 1.244 175.674 174.600 -0.283 0.000 1.190 564 S CA 0.209 58.056 58.200 -0.588 0.000 1.014 564 S CB -0.506 62.452 63.200 -0.404 0.000 1.087 564 S HN 0.839 nan 8.310 nan 0.000 0.525 565 G N -0.528 108.061 108.800 -0.352 0.000 2.192 565 G HA2 -0.181 3.779 3.960 0.000 0.000 0.193 565 G HA3 -0.181 3.779 3.960 0.000 0.000 0.193 565 G C 0.081 174.406 174.900 -0.958 0.000 0.999 565 G CA 0.107 44.958 45.100 -0.415 0.000 0.659 565 G HN 1.008 nan 8.290 nan 0.000 0.503 566 S N 0.358 115.443 115.700 -1.026 0.000 2.545 566 S HA 0.626 5.096 4.470 0.000 0.000 0.275 566 S C 1.516 175.848 174.600 -0.446 0.000 1.299 566 S CA 0.831 58.414 58.200 -1.028 0.000 1.048 566 S CB 1.151 63.999 63.200 -0.587 0.000 0.938 566 S HN 1.598 nan 8.310 nan 0.000 0.496 567 A N 3.511 126.134 122.820 -0.328 0.000 2.247 567 A HA 0.444 4.764 4.320 0.000 0.000 0.205 567 A C 1.058 178.607 177.584 -0.058 0.000 1.261 567 A CA 0.713 52.664 52.037 -0.142 0.000 0.853 567 A CB -0.839 18.115 19.000 -0.076 0.000 0.793 567 A HN 1.336 nan 8.150 nan 0.000 0.487 568 A N -0.960 121.823 122.820 -0.061 0.000 2.869 568 A HA 0.303 4.623 4.320 0.000 0.000 0.197 568 A C 0.464 178.075 177.584 0.045 0.000 0.953 568 A CA 0.076 52.130 52.037 0.027 0.000 1.218 568 A CB -0.032 19.038 19.000 0.117 0.000 1.249 568 A HN 0.192 nan 8.150 nan 0.000 0.512 569 D N 0.700 121.109 120.400 0.015 0.000 2.221 569 D HA -0.173 4.467 4.640 0.000 0.000 0.204 569 D C 1.431 177.812 176.300 0.136 0.000 0.982 569 D CA 1.283 55.356 54.000 0.122 0.000 0.857 569 D CB 0.321 41.206 40.800 0.142 0.000 0.934 569 D HN 0.559 nan 8.370 nan 0.000 0.475 570 E N 0.634 120.879 120.200 0.074 0.000 2.051 570 E HA -0.102 4.248 4.350 0.000 0.000 0.192 570 E C 2.567 179.198 176.600 0.051 0.000 0.991 570 E CA 0.362 56.793 56.400 0.051 0.000 0.799 570 E CB -0.476 29.243 29.700 0.032 0.000 0.748 570 E HN 0.185 nan 8.360 nan 0.000 0.449 571 V N 1.315 121.268 119.914 0.064 0.000 2.332 571 V HA -0.217 3.903 4.120 0.000 0.000 0.248 571 V C 2.603 178.740 176.094 0.073 0.000 1.055 571 V CA 1.413 63.752 62.300 0.065 0.000 1.038 571 V CB -0.580 31.294 31.823 0.086 0.000 0.651 571 V HN 0.052 nan 8.190 nan 0.000 0.450 572 V N -0.255 119.725 119.914 0.110 0.000 2.358 572 V HA -0.220 3.900 4.120 0.000 0.000 0.246 572 V C 2.188 178.327 176.094 0.076 0.000 1.047 572 V CA 2.027 64.402 62.300 0.125 0.000 1.035 572 V CB -0.436 31.524 31.823 0.229 0.000 0.658 572 V HN 0.440 nan 8.190 nan 0.000 0.452 573 I N 0.097 120.697 120.570 0.049 0.000 2.264 573 I HA -0.235 3.935 4.170 0.000 0.000 0.248 573 I C 2.614 178.722 176.117 -0.015 0.000 1.111 573 I CA 1.669 62.952 61.300 -0.028 0.000 1.382 573 I CB -0.309 37.656 38.000 -0.059 0.000 1.060 573 I HN 0.355 nan 8.210 nan 0.000 0.418 574 E N 1.493 121.695 120.200 0.004 0.000 2.072 574 E HA -0.133 4.217 4.350 0.000 0.000 0.190 574 E C 2.136 178.734 176.600 -0.003 0.000 0.982 574 E CA 1.512 57.911 56.400 -0.001 0.000 0.803 574 E CB -0.221 29.482 29.700 0.006 0.000 0.755 574 E HN 0.368 nan 8.360 nan 0.000 0.453 575 A N -0.132 122.692 122.820 0.006 0.000 1.986 575 A HA -0.234 4.086 4.320 0.000 0.000 0.220 575 A C 2.502 180.077 177.584 -0.015 0.000 1.171 575 A CA 1.672 53.708 52.037 -0.002 0.000 0.640 575 A CB -1.008 17.996 19.000 0.006 0.000 0.811 575 A HN 0.489 nan 8.150 nan 0.000 0.451 576 C N -0.610 118.682 119.300 -0.014 0.000 2.467 576 C HA -0.009 4.451 4.460 0.000 0.000 0.279 576 C C 2.619 177.590 174.990 -0.032 0.000 1.347 576 C CA 0.698 59.700 59.018 -0.026 0.000 1.748 576 C CB -1.296 26.432 27.740 -0.020 0.000 1.977 576 C HN 0.637 nan 8.230 nan 0.000 0.501 577 N N 1.191 119.876 118.700 -0.026 0.000 2.084 577 N HA -0.119 4.621 4.740 0.000 0.000 0.190 577 N C 1.650 177.145 175.510 -0.025 0.000 1.030 577 N CA 1.252 54.287 53.050 -0.024 0.000 0.849 577 N CB -0.481 37.995 38.487 -0.019 0.000 1.012 577 N HN 0.625 nan 8.380 nan 0.000 0.423 578 E N 0.749 120.935 120.200 -0.022 0.000 2.049 578 E HA -0.140 4.210 4.350 0.000 0.000 0.198 578 E C 1.530 178.112 176.600 -0.030 0.000 1.007 578 E CA 0.921 57.307 56.400 -0.023 0.000 0.809 578 E CB -0.158 29.531 29.700 -0.019 0.000 0.749 578 E HN 0.325 nan 8.360 nan 0.000 0.450 579 L N -0.297 120.904 121.223 -0.037 0.000 2.612 579 L HA 0.163 4.503 4.340 0.000 0.000 0.230 579 L C 1.185 178.016 176.870 -0.066 0.000 1.140 579 L CA 0.204 55.014 54.840 -0.050 0.000 0.896 579 L CB -0.125 41.902 42.059 -0.053 0.000 1.065 579 L HN 0.279 nan 8.230 nan 0.000 0.447 580 G N 1.276 110.040 108.800 -0.059 0.000 2.198 580 G HA2 -0.293 3.667 3.960 0.000 0.000 0.260 580 G HA3 -0.293 3.667 3.960 0.000 0.000 0.260 580 G C 0.105 174.944 174.900 -0.101 0.000 1.025 580 G CA 0.014 45.072 45.100 -0.069 0.000 0.769 580 G HN 0.349 nan 8.290 nan 0.000 0.507 581 I N 0.903 121.418 120.570 -0.093 0.000 2.385 581 I HA 0.293 4.463 4.170 0.000 0.000 0.294 581 I C 0.633 176.717 176.117 -0.054 0.000 0.988 581 I CA -0.528 60.702 61.300 -0.117 0.000 1.265 581 I CB 1.575 39.517 38.000 -0.097 0.000 1.388 581 I HN 0.012 nan 8.210 nan 0.000 0.480 582 T N 7.355 121.897 114.554 -0.020 0.000 2.723 582 T HA 0.327 4.677 4.350 0.000 0.000 0.297 582 T C -0.375 174.361 174.700 0.061 0.000 0.925 582 T CA -0.241 61.902 62.100 0.071 0.000 1.030 582 T CB 0.316 69.321 68.868 0.229 0.000 0.905 582 T HN 0.191 nan 8.240 nan 0.000 0.502 583 L N 5.663 126.896 121.223 0.017 0.000 2.296 583 L HA 0.654 4.994 4.340 0.000 0.000 0.286 583 L C -1.001 175.863 176.870 -0.011 0.000 1.023 583 L CA -0.564 54.279 54.840 0.007 0.000 0.812 583 L CB 0.763 42.798 42.059 -0.039 0.000 1.223 583 L HN 0.582 nan 8.230 nan 0.000 0.421 584 I N 5.095 125.693 120.570 0.046 0.000 2.382 584 I HA 0.328 4.498 4.170 0.000 0.000 0.286 584 I C -0.405 175.815 176.117 0.172 0.000 1.002 584 I CA -0.442 60.910 61.300 0.088 0.000 1.135 584 I CB 0.997 39.080 38.000 0.140 0.000 1.288 584 I HN 0.608 nan 8.210 nan 0.000 0.448 585 H N 4.022 123.118 119.070 0.044 0.000 2.473 585 H HA 0.406 4.962 4.556 0.000 0.000 0.327 585 H C 0.197 175.532 175.328 0.013 0.000 1.105 585 H CA -0.486 55.575 56.048 0.021 0.000 1.280 585 H CB 1.656 31.425 29.762 0.012 0.000 1.450 585 H HN 0.632 nan 8.280 nan 0.000 0.492 586 T N -0.299 114.303 114.554 0.080 0.000 2.804 586 T HA 0.158 4.508 4.350 0.000 0.000 0.272 586 T C 0.440 175.118 174.700 -0.037 0.000 0.986 586 T CA -0.889 61.221 62.100 0.016 0.000 0.999 586 T CB 1.461 70.325 68.868 -0.007 0.000 1.307 586 T HN 0.529 nan 8.240 nan 0.000 0.586 587 N N -0.837 117.832 118.700 -0.052 0.000 2.305 587 N HA 0.272 5.012 4.740 0.000 0.000 0.248 587 N C -1.224 174.237 175.510 -0.083 0.000 1.290 587 N CA -0.345 52.666 53.050 -0.066 0.000 0.873 587 N CB 0.099 38.556 38.487 -0.051 0.000 1.261 587 N HN 0.534 nan 8.380 nan 0.000 0.504 588 L N 1.186 122.353 121.223 -0.093 0.000 2.324 588 L HA 0.524 4.864 4.340 0.000 0.000 0.274 588 L C -0.332 176.453 176.870 -0.143 0.000 1.012 588 L CA -0.534 54.241 54.840 -0.109 0.000 0.859 588 L CB 0.648 42.647 42.059 -0.099 0.000 1.224 588 L HN 0.003 nan 8.230 nan 0.000 0.429 589 R N 4.183 124.575 120.500 -0.181 0.000 2.410 589 R HA 0.491 4.831 4.340 0.000 0.000 0.288 589 R C -0.487 175.681 176.300 -0.220 0.000 1.051 589 R CA -0.369 55.566 56.100 -0.275 0.000 1.021 589 R CB 0.691 30.741 30.300 -0.416 0.000 1.032 589 R HN 0.815 nan 8.270 nan 0.000 0.481 590 L N 5.318 126.427 121.223 -0.189 0.000 3.209 590 L HA 0.306 4.646 4.340 0.000 0.000 0.279 590 L C -0.597 176.317 176.870 0.073 0.000 1.301 590 L CA -0.596 54.192 54.840 -0.086 0.000 1.004 590 L CB 0.067 42.064 42.059 -0.104 0.000 1.402 590 L HN 0.491 nan 8.230 nan 0.000 0.577 591 F N 0.485 120.381 119.950 -0.091 0.000 2.602 591 F HA 0.109 4.636 4.527 0.000 0.000 0.367 591 F C 0.726 176.490 175.800 -0.061 0.000 1.126 591 F CA -0.044 57.898 58.000 -0.096 0.000 1.321 591 F CB -0.012 38.960 39.000 -0.047 0.000 1.094 591 F HN 0.158 nan 8.300 nan 0.000 0.594 592 H N 2.927 121.900 119.070 -0.163 0.000 2.759 592 H HA 0.472 5.028 4.556 0.000 0.000 0.354 592 H C -1.096 173.964 175.328 -0.447 0.000 1.074 592 H CA -0.358 55.580 56.048 -0.183 0.000 1.226 592 H CB 0.800 30.496 29.762 -0.110 0.000 1.648 592 H HN 0.560 nan 8.280 nan 0.000 0.529 593 H N 0.000 118.877 119.070 -0.322 0.000 2.539 593 H HA 0.000 4.556 4.556 0.000 0.000 0.296 593 H CA 0.000 55.887 56.048 -0.268 0.000 1.023 593 H CB 0.000 29.691 29.762 -0.119 0.000 1.292 593 H HN 0.000 nan 8.280 nan 0.000 0.496