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 3nan_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEAAHSKSTE ECLAYFGVSE TTGLTPDQVK RHLEKYGHNE LPAEEGKSLW DATA SEQUENCE ELVIEQFEDL LVRILLLAAC ISFVLAWFEE GEETITAFVE PFVILLILIA DATA SEQUENCE NAIVGVWQER NAENAIEALK EYEPEMGKVY RADRKSVQRI KARDIVPGDI DATA SEQUENCE VEVAVGDKVP ADIRILSIKS TTLRVDQSIL TGESVSVIKH TEPVPDPRAV DATA SEQUENCE NQDKKNMLFS GTNIAAGKAL GIVATTGVST EIGKIRDQMA ATEQDKTPLQ DATA SEQUENCE QKLDEFGEQL SKVISLICVA VWLINIGHFN DPVHGGSWIR GAIYYFKIAV DATA SEQUENCE ALAVAAIPEG LPAVITTCLA LGTRRMAKKN AIVRSLPSVE TLGCTSVICS DATA SEQUENCE DKTGTLTTNQ MSVCKMFIID KVDGDFCSLN EFSITGSTYA PEGEVLKNDK DATA SEQUENCE PIRSGQFDGL VELATICALC NDSSLDFNET KGVYEKVGEA TETALTTLVE DATA SEQUENCE KMNVFNTEVR NLSKVERANA CNSVIRQLMK KEFTLEFSRD RKSMSVYCSP DATA SEQUENCE AKSSRAAVGN KMFVKGAPEG VIDRCNYVRV GTTRVPMTGP VKEKILSVIK DATA SEQUENCE EWGTGRDTLR CLALATRDTP PKREEMVLDD SSRFMEYETD LTFVGVVGML DATA SEQUENCE DPPRKEVMGS IQLCRDAGIR VIMITGDNKG TAIAIcRRIG IFGENEEVAD DATA SEQUENCE RAYTGREFDD LPLAEQREAC RRACcFARVE PSHKSKIVEY LQSYDEITAM DATA SEQUENCE TGDGVNDAPA LKKAEIGIAM GSGTAVAKTA SEMVLADDNF STIVAAVEEG DATA SEQUENCE RAIYNNMKQF IRYLISSNVG EVVCIFLTAA LGLPEALIPV QLLWVNLVTD DATA SEQUENCE GLPATALGFN PPDLDIMDRP PRSPKEPLIS GWLFFRYMAI GGYVGAATVG DATA SEQUENCE AAAWWFMYAE DGPGVTYHQL THFMQcTEDH PHFEGLDcEI FEAPEPMTMA DATA SEQUENCE LSVLVTIEMC NALNSLSENQ SLMRMPPWVN IWLLGSICLS MSLHFLILYV DATA SEQUENCE DPLPMIFKLK ALDLTQWLMV LKISLPVIGL DEILKFIARN YLEG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.223 176.300 -0.128 0.000 1.140 1 M CA 0.000 55.268 55.300 -0.053 0.000 0.988 1 M CB 0.000 32.515 32.600 -0.141 0.000 1.302 2 E N 2.197 122.333 120.200 -0.107 0.000 2.151 2 E HA 0.846 5.194 4.350 -0.003 0.000 0.197 2 E C -0.816 175.746 176.600 -0.062 0.000 1.085 2 E CA -0.833 55.451 56.400 -0.194 0.000 0.873 2 E CB 1.577 31.010 29.700 -0.446 0.000 2.021 2 E HN 0.829 nan 8.360 nan 0.000 0.468 3 A N 0.077 122.867 122.820 -0.050 0.000 2.911 3 A HA 0.614 4.932 4.320 -0.003 0.000 0.304 3 A C 1.202 178.861 177.584 0.124 0.000 1.144 3 A CA 0.340 52.437 52.037 0.099 0.000 0.988 3 A CB -0.504 18.543 19.000 0.079 0.000 1.141 3 A HN 0.594 nan 8.150 nan 0.000 0.552 4 A N 0.923 123.785 122.820 0.070 0.000 2.009 4 A HA -0.285 4.034 4.320 -0.003 0.000 0.222 4 A C 2.008 179.620 177.584 0.046 0.000 1.175 4 A CA 2.091 54.153 52.037 0.041 0.000 0.651 4 A CB -0.983 18.050 19.000 0.057 0.000 0.815 4 A HN 0.969 nan 8.150 nan 0.000 0.459 5 H N 0.347 119.410 119.070 -0.011 0.000 2.422 5 H HA -0.103 4.452 4.556 -0.003 0.000 0.298 5 H C 1.897 177.221 175.328 -0.007 0.000 1.098 5 H CA 2.035 58.080 56.048 -0.006 0.000 1.315 5 H CB -0.985 28.787 29.762 0.016 0.000 1.382 5 H HN 0.592 nan 8.280 nan 0.000 0.523 6 S N 0.125 115.377 115.700 -0.747 0.000 2.458 6 S HA 0.092 4.560 4.470 -0.003 0.000 0.223 6 S C 0.974 175.436 174.600 -0.229 0.000 1.019 6 S CA -0.455 57.434 58.200 -0.519 0.000 0.937 6 S CB 0.416 63.284 63.200 -0.554 0.000 0.788 6 S HN 0.106 nan 8.310 nan 0.000 0.511 7 K N 2.926 123.228 120.400 -0.165 0.000 2.168 7 K HA 0.345 4.664 4.320 -0.003 0.000 0.258 7 K C 0.441 177.010 176.600 -0.052 0.000 1.010 7 K CA 0.066 56.302 56.287 -0.085 0.000 0.929 7 K CB 1.115 33.578 32.500 -0.063 0.000 0.998 7 K HN 0.502 nan 8.250 nan 0.000 0.479 8 S N -0.361 115.322 115.700 -0.028 0.000 2.672 8 S HA 0.128 4.596 4.470 -0.003 0.000 0.276 8 S C 1.222 175.827 174.600 0.009 0.000 1.207 8 S CA -0.551 57.640 58.200 -0.014 0.000 1.002 8 S CB 1.181 64.372 63.200 -0.014 0.000 0.998 8 S HN 0.494 nan 8.310 nan 0.000 0.542 9 T N 1.948 116.509 114.554 0.012 0.000 2.685 9 T HA -0.173 4.175 4.350 -0.003 0.000 0.268 9 T C 1.453 176.179 174.700 0.043 0.000 1.034 9 T CA 2.425 64.541 62.100 0.027 0.000 1.149 9 T CB -0.626 68.252 68.868 0.017 0.000 0.860 9 T HN 0.777 nan 8.240 nan 0.000 0.449 10 E N 1.145 121.365 120.200 0.034 0.000 2.015 10 E HA -0.080 4.268 4.350 -0.003 0.000 0.191 10 E C 2.270 178.908 176.600 0.064 0.000 0.991 10 E CA 1.116 57.541 56.400 0.043 0.000 0.802 10 E CB -0.353 29.364 29.700 0.028 0.000 0.759 10 E HN 0.568 nan 8.360 nan 0.000 0.447 11 E N -0.127 120.104 120.200 0.052 0.000 2.169 11 E HA -0.268 4.080 4.350 -0.003 0.000 0.202 11 E C 2.005 178.674 176.600 0.116 0.000 1.016 11 E CA 1.410 57.849 56.400 0.065 0.000 0.817 11 E CB -0.295 29.425 29.700 0.033 0.000 0.736 11 E HN 0.289 nan 8.360 nan 0.000 0.462 12 C N 0.046 119.419 119.300 0.121 0.000 2.475 12 C HA -0.001 4.457 4.460 -0.003 0.000 0.279 12 C C 2.469 177.633 174.990 0.291 0.000 1.322 12 C CA 0.142 59.285 59.018 0.207 0.000 1.734 12 C CB -0.638 27.202 27.740 0.167 0.000 2.005 12 C HN 0.397 nan 8.230 nan 0.000 0.495 13 L N 0.694 122.030 121.223 0.189 0.000 2.291 13 L HA -0.055 4.284 4.340 -0.003 0.000 0.214 13 L C 2.693 179.668 176.870 0.175 0.000 1.120 13 L CA 1.042 55.989 54.840 0.179 0.000 0.799 13 L CB -0.538 41.583 42.059 0.104 0.000 0.925 13 L HN 0.347 nan 8.230 nan 0.000 0.446 14 A N -0.387 122.523 122.820 0.150 0.000 1.832 14 A HA -0.251 4.067 4.320 -0.003 0.000 0.214 14 A C 2.079 179.726 177.584 0.105 0.000 1.204 14 A CA 1.102 53.203 52.037 0.107 0.000 0.606 14 A CB -1.009 18.040 19.000 0.083 0.000 0.849 14 A HN 0.330 nan 8.150 nan 0.000 0.445 15 Y N -0.230 120.072 120.300 0.003 0.000 2.003 15 Y HA -0.352 4.197 4.550 -0.003 0.000 0.261 15 Y C 2.001 177.806 175.900 -0.158 0.000 1.211 15 Y CA 2.698 60.725 58.100 -0.123 0.000 1.098 15 Y CB -0.763 37.559 38.460 -0.231 0.000 0.925 15 Y HN 0.287 nan 8.280 nan 0.000 0.498 16 F N -0.052 119.992 119.950 0.155 0.000 2.502 16 F HA 0.159 4.684 4.527 -0.003 0.000 0.298 16 F C 1.858 177.723 175.800 0.109 0.000 1.111 16 F CA 1.027 59.111 58.000 0.139 0.000 1.445 16 F CB -0.699 38.464 39.000 0.271 0.000 1.081 16 F HN 0.231 nan 8.300 nan 0.000 0.558 17 G N 1.638 110.563 108.800 0.207 0.000 2.359 17 G HA2 -0.137 3.822 3.960 -0.003 0.000 0.298 17 G HA3 -0.137 3.822 3.960 -0.003 0.000 0.298 17 G C -0.500 174.493 174.900 0.154 0.000 1.030 17 G CA 0.340 45.520 45.100 0.133 0.000 1.149 17 G HN 0.366 nan 8.290 nan 0.000 0.512 18 V N 0.514 120.529 119.914 0.167 0.000 2.823 18 V HA 0.856 4.974 4.120 -0.003 0.000 0.312 18 V C 0.527 176.665 176.094 0.074 0.000 1.072 18 V CA -0.043 62.324 62.300 0.112 0.000 0.937 18 V CB 2.289 34.181 31.823 0.115 0.000 1.013 18 V HN 1.278 nan 8.190 nan 0.000 0.430 19 S N 3.328 119.053 115.700 0.042 0.000 2.465 19 S HA 0.281 4.749 4.470 -0.003 0.000 0.279 19 S C 0.794 175.402 174.600 0.013 0.000 1.201 19 S CA 0.063 58.278 58.200 0.024 0.000 1.053 19 S CB 1.228 64.435 63.200 0.011 0.000 0.953 19 S HN 0.938 nan 8.310 nan 0.000 0.488 20 E N 2.588 122.793 120.200 0.009 0.000 2.265 20 E HA -0.184 4.164 4.350 -0.003 0.000 0.196 20 E C 1.397 177.972 176.600 -0.042 0.000 0.996 20 E CA 1.652 58.048 56.400 -0.007 0.000 0.832 20 E CB -0.167 29.529 29.700 -0.006 0.000 0.756 20 E HN 0.942 nan 8.360 nan 0.000 0.491 21 T N -3.726 110.800 114.554 -0.046 0.000 3.037 21 T HA 0.081 4.429 4.350 -0.003 0.000 0.252 21 T C 1.852 176.508 174.700 -0.073 0.000 1.073 21 T CA 0.735 62.785 62.100 -0.083 0.000 1.091 21 T CB 0.317 69.145 68.868 -0.066 0.000 0.935 21 T HN -0.085 nan 8.240 nan 0.000 0.488 22 T N 0.368 114.905 114.554 -0.028 0.000 3.039 22 T HA 0.523 4.871 4.350 -0.003 0.000 0.250 22 T C 1.090 175.803 174.700 0.022 0.000 1.052 22 T CA 0.993 63.090 62.100 -0.005 0.000 1.125 22 T CB -0.459 68.409 68.868 -0.001 0.000 0.908 22 T HN 0.878 nan 8.240 nan 0.000 0.473 23 G N 0.927 109.739 108.800 0.020 0.000 2.615 23 G HA2 -0.163 3.795 3.960 -0.003 0.000 0.218 23 G HA3 -0.163 3.795 3.960 -0.003 0.000 0.218 23 G C -0.697 174.205 174.900 0.002 0.000 1.339 23 G CA -0.624 44.495 45.100 0.032 0.000 0.884 23 G HN 0.438 nan 8.290 nan 0.000 0.559 24 L N 1.251 122.460 121.223 -0.024 0.000 2.418 24 L HA 0.525 4.863 4.340 -0.003 0.000 0.265 24 L C 1.514 178.352 176.870 -0.053 0.000 1.143 24 L CA -0.011 54.785 54.840 -0.073 0.000 0.809 24 L CB 1.155 43.123 42.059 -0.152 0.000 1.124 24 L HN 0.970 nan 8.230 nan 0.000 0.456 25 T N -1.818 112.698 114.554 -0.063 0.000 2.882 25 T HA 0.240 4.588 4.350 -0.003 0.000 0.287 25 T C -1.635 173.037 174.700 -0.048 0.000 0.992 25 T CA -1.904 60.173 62.100 -0.038 0.000 1.076 25 T CB 1.342 70.195 68.868 -0.027 0.000 0.961 25 T HN 0.441 nan 8.240 nan 0.000 0.490 26 P HA -0.223 nan 4.420 nan 0.000 0.218 26 P C 0.829 178.115 177.300 -0.025 0.000 1.147 26 P CA 1.489 64.575 63.100 -0.023 0.000 0.827 26 P CB 0.199 31.893 31.700 -0.010 0.000 0.778 27 D N -0.283 120.103 120.400 -0.024 0.000 2.110 27 D HA -0.137 4.501 4.640 -0.003 0.000 0.202 27 D C 2.264 178.548 176.300 -0.026 0.000 0.975 27 D CA 1.070 55.061 54.000 -0.015 0.000 0.839 27 D CB -0.588 40.208 40.800 -0.007 0.000 0.996 27 D HN 0.069 nan 8.370 nan 0.000 0.464 28 Q N -0.211 119.550 119.800 -0.065 0.000 2.152 28 Q HA -0.156 4.183 4.340 -0.003 0.000 0.206 28 Q C 2.356 178.225 176.000 -0.217 0.000 0.985 28 Q CA 1.441 57.150 55.803 -0.158 0.000 0.863 28 Q CB -0.031 28.543 28.738 -0.273 0.000 0.904 28 Q HN 0.280 nan 8.270 nan 0.000 0.422 29 V N 1.150 120.980 119.914 -0.141 0.000 2.295 29 V HA -0.279 3.839 4.120 -0.003 0.000 0.246 29 V C 2.072 178.172 176.094 0.010 0.000 1.049 29 V CA 1.907 64.166 62.300 -0.068 0.000 1.024 29 V CB -0.482 31.314 31.823 -0.045 0.000 0.648 29 V HN 0.314 nan 8.190 nan 0.000 0.447 30 K N -0.050 120.353 120.400 0.004 0.000 2.026 30 K HA -0.144 4.174 4.320 -0.003 0.000 0.208 30 K C 2.395 179.017 176.600 0.037 0.000 1.048 30 K CA 1.411 57.706 56.287 0.014 0.000 0.929 30 K CB -0.287 32.217 32.500 0.006 0.000 0.713 30 K HN 0.426 nan 8.250 nan 0.000 0.439 31 R N 0.311 120.848 120.500 0.061 0.000 2.082 31 R HA -0.137 4.201 4.340 -0.003 0.000 0.234 31 R C 2.293 178.672 176.300 0.131 0.000 1.136 31 R CA 1.606 57.758 56.100 0.087 0.000 0.935 31 R CB -0.757 29.618 30.300 0.126 0.000 0.842 31 R HN 0.475 nan 8.270 nan 0.000 0.430 32 H N 0.245 119.335 119.070 0.034 0.000 2.353 32 H HA -0.160 4.394 4.556 -0.003 0.000 0.298 32 H C 2.270 177.657 175.328 0.098 0.000 1.103 32 H CA 1.358 57.475 56.048 0.115 0.000 1.293 32 H CB -0.007 29.895 29.762 0.232 0.000 1.372 32 H HN 0.065 nan 8.280 nan 0.000 0.501 33 L N 1.343 122.667 121.223 0.168 0.000 2.017 33 L HA -0.159 4.179 4.340 -0.003 0.000 0.208 33 L C 2.323 179.178 176.870 -0.025 0.000 1.073 33 L CA 1.789 56.655 54.840 0.043 0.000 0.745 33 L CB -0.328 41.700 42.059 -0.051 0.000 0.894 33 L HN 0.129 nan 8.230 nan 0.000 0.432 34 E N -0.476 119.704 120.200 -0.033 0.000 2.409 34 E HA -0.235 4.113 4.350 -0.003 0.000 0.198 34 E C 2.042 178.591 176.600 -0.086 0.000 1.024 34 E CA 1.136 57.505 56.400 -0.051 0.000 0.861 34 E CB -0.121 29.558 29.700 -0.036 0.000 0.788 34 E HN 0.498 nan 8.360 nan 0.000 0.521 35 K N -1.314 118.993 120.400 -0.156 0.000 2.348 35 K HA 0.009 4.327 4.320 -0.003 0.000 0.194 35 K C 0.310 176.679 176.600 -0.386 0.000 1.052 35 K CA 0.320 56.402 56.287 -0.341 0.000 1.004 35 K CB 0.278 32.426 32.500 -0.586 0.000 0.873 35 K HN 0.150 nan 8.250 nan 0.000 0.523 36 Y N -0.032 120.282 120.300 0.022 0.000 2.527 36 Y HA 0.313 4.861 4.550 -0.003 0.000 0.247 36 Y C 0.686 176.602 175.900 0.027 0.000 1.138 36 Y CA -0.014 58.108 58.100 0.036 0.000 1.228 36 Y CB 1.049 39.548 38.460 0.065 0.000 1.252 36 Y HN 0.215 nan 8.280 nan 0.000 0.531 37 G N 0.424 109.291 108.800 0.111 0.000 2.877 37 G HA2 -0.283 3.675 3.960 -0.003 0.000 0.279 37 G HA3 -0.283 3.675 3.960 -0.003 0.000 0.279 37 G C -0.712 174.212 174.900 0.039 0.000 1.431 37 G CA -0.547 44.588 45.100 0.058 0.000 0.883 37 G HN 0.454 nan 8.290 nan 0.000 0.547 38 H N -0.283 118.833 119.070 0.078 0.000 2.690 38 H HA 0.368 4.922 4.556 -0.003 0.000 0.365 38 H C 1.044 176.409 175.328 0.062 0.000 1.142 38 H CA 0.748 56.835 56.048 0.065 0.000 1.417 38 H CB 0.679 30.468 29.762 0.045 0.000 1.446 38 H HN 0.613 nan 8.280 nan 0.000 0.599 39 N N 2.350 121.163 118.700 0.188 0.000 2.868 39 N HA 0.039 4.777 4.740 -0.003 0.000 0.252 39 N C -1.260 174.309 175.510 0.098 0.000 1.130 39 N CA -0.334 52.784 53.050 0.114 0.000 1.026 39 N CB -0.128 38.406 38.487 0.079 0.000 1.335 39 N HN 0.739 nan 8.380 nan 0.000 0.516 40 E N 1.142 121.398 120.200 0.093 0.000 2.437 40 E HA 0.311 4.659 4.350 -0.003 0.000 0.280 40 E C -1.392 175.241 176.600 0.055 0.000 1.044 40 E CA -0.932 55.505 56.400 0.061 0.000 0.826 40 E CB 0.661 30.386 29.700 0.041 0.000 1.358 40 E HN 0.092 nan 8.360 nan 0.000 0.459 41 L N 1.286 122.533 121.223 0.040 0.000 2.334 41 L HA 0.429 4.767 4.340 -0.003 0.000 0.277 41 L C -2.122 174.765 176.870 0.028 0.000 1.075 41 L CA -2.096 52.765 54.840 0.035 0.000 0.804 41 L CB 0.837 42.915 42.059 0.032 0.000 1.174 41 L HN 0.473 nan 8.230 nan 0.000 0.438 42 P HA -0.120 nan 4.420 nan 0.000 0.261 42 P C -0.433 176.875 177.300 0.014 0.000 1.158 42 P CA 0.181 63.295 63.100 0.023 0.000 0.758 42 P CB 0.377 32.090 31.700 0.022 0.000 0.763 43 A N 3.698 126.524 122.820 0.010 0.000 2.536 43 A HA 0.046 4.365 4.320 -0.003 0.000 0.234 43 A C 0.346 177.932 177.584 0.003 0.000 1.076 43 A CA 0.006 52.044 52.037 0.003 0.000 0.769 43 A CB -0.105 18.896 19.000 0.001 0.000 1.020 43 A HN 0.529 nan 8.150 nan 0.000 0.508 44 E N 0.527 120.726 120.200 -0.001 0.000 2.390 44 E HA 0.366 4.714 4.350 -0.003 0.000 0.261 44 E C 0.108 176.708 176.600 0.001 0.000 1.076 44 E CA 0.050 56.450 56.400 -0.001 0.000 0.905 44 E CB 0.298 29.995 29.700 -0.005 0.000 0.984 44 E HN 0.675 nan 8.360 nan 0.000 0.427 45 E N 0.066 120.267 120.200 0.001 0.000 2.392 45 E HA 0.335 4.684 4.350 -0.003 0.000 0.264 45 E C 0.055 176.658 176.600 0.005 0.000 1.024 45 E CA -0.416 55.986 56.400 0.003 0.000 0.903 45 E CB 0.598 30.299 29.700 0.002 0.000 0.963 45 E HN 0.464 nan 8.360 nan 0.000 0.432 46 G N 3.108 111.914 108.800 0.009 0.000 2.457 46 G HA2 0.250 4.208 3.960 -0.003 0.000 0.316 46 G HA3 0.250 4.208 3.960 -0.003 0.000 0.316 46 G C -0.680 174.231 174.900 0.019 0.000 1.030 46 G CA -0.799 44.309 45.100 0.013 0.000 1.073 46 G HN 0.348 nan 8.290 nan 0.000 0.430 47 K N 1.390 121.800 120.400 0.018 0.000 2.221 47 K HA 0.524 4.842 4.320 -0.003 0.000 0.258 47 K C -0.008 176.614 176.600 0.037 0.000 0.944 47 K CA -0.504 55.797 56.287 0.024 0.000 0.823 47 K CB 1.849 34.355 32.500 0.011 0.000 1.113 47 K HN 0.596 nan 8.250 nan 0.000 0.431 48 S N 2.069 117.804 115.700 0.059 0.000 2.621 48 S HA 0.330 4.798 4.470 -0.003 0.000 0.302 48 S C 1.231 175.894 174.600 0.104 0.000 1.093 48 S CA -0.936 57.316 58.200 0.086 0.000 1.017 48 S CB 1.000 64.273 63.200 0.122 0.000 1.077 48 S HN 0.616 nan 8.310 nan 0.000 0.517 49 L N 0.669 121.964 121.223 0.119 0.000 2.021 49 L HA -0.164 4.174 4.340 -0.003 0.000 0.215 49 L C 2.325 179.303 176.870 0.181 0.000 1.074 49 L CA 2.021 56.939 54.840 0.130 0.000 0.760 49 L CB -0.371 41.771 42.059 0.139 0.000 0.889 49 L HN 0.847 nan 8.230 nan 0.000 0.433 50 W N 1.355 122.657 121.300 0.003 0.000 2.311 50 W HA -0.303 4.356 4.660 -0.003 0.000 0.326 50 W C 2.368 178.891 176.519 0.006 0.000 1.239 50 W CA 2.099 59.442 57.345 -0.003 0.000 1.258 50 W CB -0.132 29.322 29.460 -0.010 0.000 1.165 50 W HN 0.244 nan 8.180 nan 0.000 0.466 51 E N 0.238 120.438 120.200 -0.000 0.000 2.085 51 E HA -0.288 4.061 4.350 -0.003 0.000 0.194 51 E C 1.982 178.514 176.600 -0.115 0.000 0.994 51 E CA 1.530 57.862 56.400 -0.114 0.000 0.801 51 E CB -0.699 28.999 29.700 -0.002 0.000 0.743 51 E HN 0.163 nan 8.360 nan 0.000 0.453 52 L N 0.714 121.913 121.223 -0.039 0.000 2.042 52 L HA -0.170 4.168 4.340 -0.003 0.000 0.210 52 L C 2.194 179.043 176.870 -0.035 0.000 1.076 52 L CA 1.375 56.202 54.840 -0.022 0.000 0.749 52 L CB -0.211 41.857 42.059 0.015 0.000 0.893 52 L HN -0.012 nan 8.230 nan 0.000 0.432 53 V N -0.774 119.102 119.914 -0.063 0.000 2.323 53 V HA -0.236 3.882 4.120 -0.003 0.000 0.244 53 V C 2.438 178.481 176.094 -0.085 0.000 1.041 53 V CA 1.255 63.529 62.300 -0.045 0.000 1.025 53 V CB -0.546 31.230 31.823 -0.078 0.000 0.656 53 V HN 0.283 nan 8.190 nan 0.000 0.451 54 I N 0.359 120.720 120.570 -0.348 0.000 2.248 54 I HA -0.266 3.902 4.170 -0.003 0.000 0.248 54 I C 2.519 178.576 176.117 -0.099 0.000 1.107 54 I CA 1.643 62.743 61.300 -0.335 0.000 1.373 54 I CB -1.273 36.409 38.000 -0.530 0.000 1.055 54 I HN 0.491 nan 8.210 nan 0.000 0.418 55 E N 0.177 120.323 120.200 -0.091 0.000 2.085 55 E HA -0.246 4.103 4.350 -0.003 0.000 0.194 55 E C 2.145 178.727 176.600 -0.029 0.000 0.994 55 E CA 1.010 57.380 56.400 -0.050 0.000 0.801 55 E CB -0.003 29.669 29.700 -0.046 0.000 0.743 55 E HN 0.488 nan 8.360 nan 0.000 0.453 56 Q N -0.376 119.421 119.800 -0.004 0.000 2.135 56 Q HA -0.141 4.197 4.340 -0.003 0.000 0.204 56 Q C 1.311 177.187 176.000 -0.206 0.000 0.981 56 Q CA 1.195 56.950 55.803 -0.079 0.000 0.856 56 Q CB -0.271 28.445 28.738 -0.036 0.000 0.902 56 Q HN 0.303 nan 8.270 nan 0.000 0.425 57 F N 0.495 120.377 119.950 -0.114 0.000 2.701 57 F HA 0.149 4.674 4.527 -0.003 0.000 0.295 57 F C 1.552 177.295 175.800 -0.094 0.000 1.165 57 F CA -0.041 57.896 58.000 -0.105 0.000 1.399 57 F CB 0.217 39.140 39.000 -0.127 0.000 0.996 57 F HN 0.069 nan 8.300 nan 0.000 0.513 58 E N -0.815 119.383 120.200 -0.003 0.000 2.201 58 E HA -0.063 4.285 4.350 -0.003 0.000 0.193 58 E C 0.779 177.360 176.600 -0.032 0.000 0.957 58 E CA -0.095 56.296 56.400 -0.015 0.000 0.858 58 E CB 0.146 29.829 29.700 -0.027 0.000 0.816 58 E HN 0.178 nan 8.360 nan 0.000 0.475 59 D N 0.912 121.276 120.400 -0.059 0.000 2.563 59 D HA -0.142 4.497 4.640 -0.003 0.000 0.229 59 D C 1.041 177.314 176.300 -0.045 0.000 1.159 59 D CA 0.067 54.033 54.000 -0.056 0.000 0.869 59 D CB 1.133 41.884 40.800 -0.082 0.000 1.203 59 D HN -0.049 nan 8.370 nan 0.000 0.478 60 L N 4.436 125.639 121.223 -0.032 0.000 2.023 60 L HA -0.100 4.238 4.340 -0.003 0.000 0.205 60 L C 2.290 179.140 176.870 -0.033 0.000 1.073 60 L CA 1.328 56.150 54.840 -0.030 0.000 0.745 60 L CB -0.573 41.468 42.059 -0.030 0.000 0.900 60 L HN 0.596 nan 8.230 nan 0.000 0.435 61 L N -1.401 119.805 121.223 -0.029 0.000 2.042 61 L HA -0.229 4.109 4.340 -0.003 0.000 0.210 61 L C 2.646 179.487 176.870 -0.049 0.000 1.076 61 L CA 1.458 56.283 54.840 -0.026 0.000 0.749 61 L CB -0.843 41.219 42.059 0.005 0.000 0.893 61 L HN 0.244 nan 8.230 nan 0.000 0.432 62 V N 0.030 119.894 119.914 -0.083 0.000 2.469 62 V HA -0.289 3.829 4.120 -0.003 0.000 0.251 62 V C 2.742 178.785 176.094 -0.085 0.000 1.064 62 V CA 1.741 63.954 62.300 -0.145 0.000 1.066 62 V CB -0.364 31.297 31.823 -0.270 0.000 0.667 62 V HN 0.410 nan 8.190 nan 0.000 0.461 63 R N -0.463 120.015 120.500 -0.038 0.000 2.055 63 R HA -0.016 4.323 4.340 -0.003 0.000 0.228 63 R C 2.260 178.562 176.300 0.002 0.000 1.143 63 R CA 1.908 58.016 56.100 0.013 0.000 0.945 63 R CB -0.527 29.779 30.300 0.010 0.000 0.841 63 R HN 0.467 nan 8.270 nan 0.000 0.429 64 I N 1.363 121.923 120.570 -0.017 0.000 2.181 64 I HA -0.358 3.810 4.170 -0.003 0.000 0.247 64 I C 2.455 178.563 176.117 -0.016 0.000 1.081 64 I CA 1.490 62.776 61.300 -0.022 0.000 1.340 64 I CB -0.349 37.633 38.000 -0.030 0.000 1.036 64 I HN 0.219 nan 8.210 nan 0.000 0.417 65 L N -0.338 120.874 121.223 -0.018 0.000 2.027 65 L HA -0.215 4.124 4.340 -0.003 0.000 0.206 65 L C 2.586 179.458 176.870 0.004 0.000 1.074 65 L CA 1.006 55.837 54.840 -0.015 0.000 0.745 65 L CB -0.444 41.594 42.059 -0.035 0.000 0.898 65 L HN 0.275 nan 8.230 nan 0.000 0.433 66 L N 0.028 121.268 121.223 0.028 0.000 2.043 66 L HA -0.249 4.090 4.340 -0.003 0.000 0.212 66 L C 2.345 179.235 176.870 0.034 0.000 1.075 66 L CA 1.641 56.522 54.840 0.068 0.000 0.752 66 L CB -0.616 41.540 42.059 0.163 0.000 0.891 66 L HN 0.152 nan 8.230 nan 0.000 0.432 67 L N 0.051 121.288 121.223 0.022 0.000 1.955 67 L HA -0.146 4.193 4.340 -0.003 0.000 0.213 67 L C 2.544 179.421 176.870 0.012 0.000 1.072 67 L CA 2.401 57.248 54.840 0.011 0.000 0.755 67 L CB -1.309 40.747 42.059 -0.006 0.000 0.888 67 L HN 0.260 nan 8.230 nan 0.000 0.432 68 A N -0.318 122.504 122.820 0.002 0.000 1.948 68 A HA -0.202 4.116 4.320 -0.003 0.000 0.220 68 A C 2.423 180.024 177.584 0.027 0.000 1.177 68 A CA 2.064 54.106 52.037 0.007 0.000 0.636 68 A CB -1.373 17.627 19.000 -0.000 0.000 0.815 68 A HN 0.696 nan 8.150 nan 0.000 0.449 69 A N -1.533 121.299 122.820 0.020 0.000 2.076 69 A HA -0.128 4.190 4.320 -0.003 0.000 0.220 69 A C 2.149 179.760 177.584 0.045 0.000 1.160 69 A CA 1.737 53.785 52.037 0.017 0.000 0.653 69 A CB -0.926 18.069 19.000 -0.008 0.000 0.801 69 A HN 0.642 nan 8.150 nan 0.000 0.455 70 C N -1.347 117.989 119.300 0.061 0.000 2.568 70 C HA 0.182 4.640 4.460 -0.003 0.000 0.284 70 C C 2.423 177.494 174.990 0.135 0.000 1.338 70 C CA 0.392 59.482 59.018 0.120 0.000 1.724 70 C CB -1.164 26.627 27.740 0.086 0.000 2.131 70 C HN 0.635 nan 8.230 nan 0.000 0.513 71 I N 1.577 122.208 120.570 0.101 0.000 2.185 71 I HA -0.284 3.884 4.170 -0.003 0.000 0.246 71 I C 2.725 178.913 176.117 0.119 0.000 1.088 71 I CA 2.031 63.410 61.300 0.133 0.000 1.347 71 I CB -0.635 37.428 38.000 0.105 0.000 1.041 71 I HN 0.370 nan 8.210 nan 0.000 0.415 72 S N 0.774 116.533 115.700 0.099 0.000 2.343 72 S HA -0.239 4.229 4.470 -0.003 0.000 0.219 72 S C 2.083 176.730 174.600 0.078 0.000 1.033 72 S CA 1.434 59.687 58.200 0.089 0.000 1.014 72 S CB -0.518 62.726 63.200 0.074 0.000 0.915 72 S HN 0.452 nan 8.310 nan 0.000 0.435 73 F N 2.078 121.968 119.950 -0.100 0.000 2.154 73 F HA -0.094 4.431 4.527 -0.003 0.000 0.301 73 F C 2.081 177.807 175.800 -0.124 0.000 1.087 73 F CA 1.558 59.414 58.000 -0.241 0.000 1.274 73 F CB -0.756 38.093 39.000 -0.251 0.000 1.009 73 F HN 0.106 nan 8.300 nan 0.000 0.485 74 V N 0.347 120.168 119.914 -0.156 0.000 2.323 74 V HA -0.257 3.862 4.120 -0.003 0.000 0.244 74 V C 2.544 178.570 176.094 -0.113 0.000 1.041 74 V CA 1.708 63.889 62.300 -0.198 0.000 1.025 74 V CB -0.536 31.212 31.823 -0.125 0.000 0.656 74 V HN 0.360 nan 8.190 nan 0.000 0.451 75 L N 0.186 121.388 121.223 -0.036 0.000 2.043 75 L HA -0.216 4.123 4.340 -0.003 0.000 0.212 75 L C 2.595 179.572 176.870 0.177 0.000 1.075 75 L CA 1.863 56.723 54.840 0.035 0.000 0.752 75 L CB -0.735 41.374 42.059 0.083 0.000 0.891 75 L HN 0.396 nan 8.230 nan 0.000 0.432 76 A N -1.603 121.354 122.820 0.227 0.000 2.172 76 A HA -0.240 4.078 4.320 -0.003 0.000 0.216 76 A C 1.987 180.037 177.584 0.777 0.000 1.154 76 A CA 0.578 52.881 52.037 0.442 0.000 0.701 76 A CB -0.779 18.501 19.000 0.466 0.000 0.789 76 A HN 0.730 nan 8.150 nan 0.000 0.465 77 W N -1.513 120.003 121.300 0.360 0.000 3.405 77 W HA 0.249 4.907 4.660 -0.003 0.000 0.300 77 W C -0.601 176.187 176.519 0.449 0.000 1.286 77 W CA -0.167 57.375 57.345 0.329 0.000 1.762 77 W CB 0.285 29.778 29.460 0.055 0.000 1.087 77 W HN 0.284 nan 8.180 nan 0.000 0.703 78 F N 1.046 121.030 119.950 0.056 0.000 2.810 78 F HA 0.270 4.795 4.527 -0.003 0.000 0.353 78 F C 0.495 176.253 175.800 -0.071 0.000 1.227 78 F CA -0.521 57.422 58.000 -0.095 0.000 1.210 78 F CB -0.562 38.392 39.000 -0.075 0.000 1.039 78 F HN -0.265 nan 8.300 nan 0.000 0.509 79 E N 0.262 120.515 120.200 0.088 0.000 2.322 79 E HA 0.197 4.545 4.350 -0.003 0.000 0.257 79 E C 0.063 176.624 176.600 -0.065 0.000 1.155 79 E CA -0.256 56.162 56.400 0.030 0.000 0.936 79 E CB 0.762 30.494 29.700 0.054 0.000 1.130 79 E HN -0.013 nan 8.360 nan 0.000 0.465 80 E N 0.958 121.124 120.200 -0.056 0.000 2.026 80 E HA 0.224 4.573 4.350 -0.003 0.000 0.253 80 E C 0.803 177.354 176.600 -0.082 0.000 1.056 80 E CA -0.111 56.238 56.400 -0.085 0.000 0.927 80 E CB 0.105 29.767 29.700 -0.064 0.000 1.172 80 E HN 0.755 nan 8.360 nan 0.000 0.445 81 G N 3.991 112.725 108.800 -0.109 0.000 2.723 81 G HA2 -0.480 3.479 3.960 -0.003 0.000 0.356 81 G HA3 -0.480 3.479 3.960 -0.003 0.000 0.356 81 G C 1.152 176.010 174.900 -0.070 0.000 1.164 81 G CA 1.186 46.227 45.100 -0.098 0.000 0.939 81 G HN 0.506 nan 8.290 nan 0.000 0.570 82 E N 1.143 121.309 120.200 -0.056 0.000 2.435 82 E HA 0.091 4.439 4.350 -0.003 0.000 0.195 82 E C 2.205 178.785 176.600 -0.033 0.000 1.029 82 E CA 1.365 57.739 56.400 -0.042 0.000 0.865 82 E CB -0.249 29.429 29.700 -0.037 0.000 0.833 82 E HN 0.682 nan 8.360 nan 0.000 0.510 83 E N -0.556 119.625 120.200 -0.032 0.000 2.401 83 E HA -0.071 4.278 4.350 -0.003 0.000 0.199 83 E C -0.543 176.050 176.600 -0.013 0.000 1.023 83 E CA 0.919 57.308 56.400 -0.019 0.000 0.859 83 E CB 0.208 29.898 29.700 -0.016 0.000 0.780 83 E HN 0.034 nan 8.360 nan 0.000 0.523 84 T N -0.529 114.014 114.554 -0.019 0.000 3.289 84 T HA 0.217 4.566 4.350 -0.003 0.000 0.370 84 T C -0.126 174.561 174.700 -0.022 0.000 1.546 84 T CA -0.420 61.674 62.100 -0.010 0.000 1.144 84 T CB 1.369 70.244 68.868 0.011 0.000 1.379 84 T HN 0.185 nan 8.240 nan 0.000 0.478 85 I N 0.797 121.354 120.570 -0.021 0.000 4.433 85 I HA 0.219 4.387 4.170 -0.003 0.000 0.322 85 I C 2.004 178.112 176.117 -0.014 0.000 1.284 85 I CA 0.750 62.029 61.300 -0.036 0.000 1.269 85 I CB 0.224 38.201 38.000 -0.039 0.000 1.219 85 I HN 0.699 nan 8.210 nan 0.000 0.436 86 T N -0.835 113.719 114.554 -0.001 0.000 3.163 86 T HA 0.243 4.591 4.350 -0.003 0.000 0.260 86 T C 1.879 176.622 174.700 0.071 0.000 1.156 86 T CA 0.624 62.730 62.100 0.010 0.000 1.072 86 T CB -0.658 68.198 68.868 -0.020 0.000 0.937 86 T HN 0.390 nan 8.240 nan 0.000 0.528 87 A N 1.595 124.477 122.820 0.104 0.000 1.927 87 A HA -0.044 4.274 4.320 -0.003 0.000 0.220 87 A C 1.600 179.434 177.584 0.416 0.000 1.185 87 A CA 1.242 53.407 52.037 0.212 0.000 0.639 87 A CB -1.024 18.093 19.000 0.196 0.000 0.820 87 A HN 0.552 nan 8.150 nan 0.000 0.451 88 F N -0.327 119.670 119.950 0.079 0.000 2.769 88 F HA 0.087 4.612 4.527 -0.003 0.000 0.304 88 F C 2.064 177.931 175.800 0.111 0.000 1.158 88 F CA -0.005 58.066 58.000 0.117 0.000 1.398 88 F CB -0.357 38.714 39.000 0.118 0.000 1.094 88 F HN 0.193 nan 8.300 nan 0.000 0.553 89 V N -2.606 117.430 119.914 0.202 0.000 2.725 89 V HA -0.072 4.046 4.120 -0.003 0.000 0.247 89 V C 2.016 178.206 176.094 0.161 0.000 1.058 89 V CA 1.432 63.814 62.300 0.137 0.000 1.080 89 V CB -0.613 31.218 31.823 0.014 0.000 0.713 89 V HN 0.288 nan 8.190 nan 0.000 0.465 90 E N 2.171 122.435 120.200 0.108 0.000 2.012 90 E HA -0.171 4.177 4.350 -0.003 0.000 0.197 90 E C 0.122 176.777 176.600 0.091 0.000 1.007 90 E CA 2.213 58.659 56.400 0.077 0.000 0.816 90 E CB -1.035 28.704 29.700 0.066 0.000 0.762 90 E HN 0.581 nan 8.360 nan 0.000 0.451 91 P HA -0.170 nan 4.420 nan 0.000 0.217 91 P C 1.562 178.893 177.300 0.052 0.000 1.150 91 P CA 1.110 64.244 63.100 0.057 0.000 0.832 91 P CB -0.348 31.380 31.700 0.048 0.000 0.787 92 F N 1.251 121.178 119.950 -0.039 0.000 2.171 92 F HA -0.166 4.359 4.527 -0.003 0.000 0.300 92 F C 1.980 177.769 175.800 -0.019 0.000 1.090 92 F CA 1.347 59.326 58.000 -0.035 0.000 1.293 92 F CB -0.777 38.228 39.000 0.009 0.000 1.013 92 F HN -0.315 nan 8.300 nan 0.000 0.486 93 V N 0.884 120.832 119.914 0.056 0.000 2.379 93 V HA -0.277 3.841 4.120 -0.003 0.000 0.245 93 V C 2.439 178.473 176.094 -0.100 0.000 1.044 93 V CA 1.943 64.218 62.300 -0.041 0.000 1.036 93 V CB -0.565 31.315 31.823 0.095 0.000 0.664 93 V HN 0.373 nan 8.190 nan 0.000 0.453 94 I N -0.375 120.165 120.570 -0.051 0.000 2.194 94 I HA -0.305 3.864 4.170 -0.003 0.000 0.246 94 I C 2.389 178.451 176.117 -0.091 0.000 1.093 94 I CA 1.667 62.937 61.300 -0.051 0.000 1.355 94 I CB -0.343 37.644 38.000 -0.022 0.000 1.046 94 I HN 0.279 nan 8.210 nan 0.000 0.413 95 L N 0.080 121.218 121.223 -0.142 0.000 2.017 95 L HA -0.250 4.088 4.340 -0.003 0.000 0.208 95 L C 2.579 179.339 176.870 -0.184 0.000 1.073 95 L CA 1.345 56.090 54.840 -0.158 0.000 0.745 95 L CB -0.438 41.484 42.059 -0.228 0.000 0.894 95 L HN 0.296 nan 8.230 nan 0.000 0.432 96 L N -0.505 120.535 121.223 -0.305 0.000 2.129 96 L HA -0.279 4.059 4.340 -0.003 0.000 0.212 96 L C 2.551 179.337 176.870 -0.140 0.000 1.087 96 L CA 1.126 55.809 54.840 -0.261 0.000 0.757 96 L CB -0.307 41.562 42.059 -0.315 0.000 0.896 96 L HN 0.313 nan 8.230 nan 0.000 0.434 97 I N -0.258 120.242 120.570 -0.116 0.000 2.163 97 I HA -0.292 3.876 4.170 -0.003 0.000 0.240 97 I C 2.523 178.582 176.117 -0.097 0.000 1.081 97 I CA 1.492 62.739 61.300 -0.089 0.000 1.353 97 I CB -0.953 37.002 38.000 -0.075 0.000 1.054 97 I HN 0.252 nan 8.210 nan 0.000 0.407 98 L N 0.053 121.223 121.223 -0.089 0.000 2.046 98 L HA -0.215 4.124 4.340 -0.003 0.000 0.208 98 L C 2.614 179.472 176.870 -0.020 0.000 1.077 98 L CA 1.057 55.833 54.840 -0.107 0.000 0.747 98 L CB -0.574 41.483 42.059 -0.003 0.000 0.896 98 L HN 0.165 nan 8.230 nan 0.000 0.432 99 I N 0.584 121.168 120.570 0.025 0.000 2.179 99 I HA -0.257 3.911 4.170 -0.003 0.000 0.242 99 I C 2.908 179.025 176.117 -0.001 0.000 1.088 99 I CA 1.671 62.997 61.300 0.043 0.000 1.357 99 I CB -1.527 36.453 38.000 -0.032 0.000 1.051 99 I HN 0.173 nan 8.210 nan 0.000 0.409 100 A N 1.543 124.336 122.820 -0.047 0.000 1.841 100 A HA -0.298 4.020 4.320 -0.003 0.000 0.216 100 A C 2.213 179.767 177.584 -0.051 0.000 1.199 100 A CA 2.265 54.270 52.037 -0.053 0.000 0.621 100 A CB -1.286 17.674 19.000 -0.068 0.000 0.835 100 A HN 0.574 nan 8.150 nan 0.000 0.445 101 N N 0.785 119.437 118.700 -0.080 0.000 2.133 101 N HA -0.242 4.497 4.740 -0.003 0.000 0.193 101 N C 1.801 177.259 175.510 -0.088 0.000 1.012 101 N CA 2.307 55.295 53.050 -0.102 0.000 0.871 101 N CB -0.355 38.032 38.487 -0.167 0.000 1.011 101 N HN 0.422 nan 8.380 nan 0.000 0.435 102 A N 1.532 124.311 122.820 -0.069 0.000 1.840 102 A HA -0.028 4.290 4.320 -0.003 0.000 0.214 102 A C 2.283 179.894 177.584 0.045 0.000 1.198 102 A CA 1.166 53.206 52.037 0.005 0.000 0.608 102 A CB -0.546 18.559 19.000 0.176 0.000 0.839 102 A HN 0.282 nan 8.150 nan 0.000 0.443 103 I N 0.375 120.974 120.570 0.048 0.000 2.236 103 I HA -0.239 3.929 4.170 -0.003 0.000 0.249 103 I C 2.504 178.673 176.117 0.087 0.000 1.102 103 I CA 1.277 62.611 61.300 0.058 0.000 1.365 103 I CB -1.644 36.366 38.000 0.016 0.000 1.051 103 I HN 0.133 nan 8.210 nan 0.000 0.420 104 V N 1.255 121.202 119.914 0.056 0.000 2.223 104 V HA -0.206 3.912 4.120 -0.003 0.000 0.244 104 V C 2.763 178.946 176.094 0.149 0.000 1.045 104 V CA 2.205 64.567 62.300 0.103 0.000 1.000 104 V CB -1.635 30.214 31.823 0.043 0.000 0.635 104 V HN 0.495 nan 8.190 nan 0.000 0.445 105 G N -0.519 108.323 108.800 0.069 0.000 2.503 105 G HA2 -0.293 3.666 3.960 -0.003 0.000 0.221 105 G HA3 -0.293 3.666 3.960 -0.003 0.000 0.221 105 G C 1.797 176.734 174.900 0.063 0.000 1.131 105 G CA 1.531 46.659 45.100 0.047 0.000 0.756 105 G HN 0.434 nan 8.290 nan 0.000 0.572 106 V N -0.597 119.371 119.914 0.090 0.000 2.323 106 V HA -0.000 4.118 4.120 -0.003 0.000 0.244 106 V C 2.202 178.370 176.094 0.123 0.000 1.041 106 V CA 1.970 64.324 62.300 0.090 0.000 1.025 106 V CB -0.398 31.484 31.823 0.098 0.000 0.656 106 V HN 0.576 nan 8.190 nan 0.000 0.451 107 W N 0.820 122.118 121.300 -0.004 0.000 2.374 107 W HA -0.180 4.478 4.660 -0.003 0.000 0.288 107 W C 2.459 178.974 176.519 -0.007 0.000 1.218 107 W CA 2.088 59.431 57.345 -0.004 0.000 1.245 107 W CB -0.183 29.274 29.460 -0.005 0.000 1.126 107 W HN 0.363 nan 8.180 nan 0.000 0.545 108 Q N 0.064 119.921 119.800 0.095 0.000 2.084 108 Q HA -0.290 4.048 4.340 -0.003 0.000 0.202 108 Q C 2.179 178.076 176.000 -0.171 0.000 0.978 108 Q CA 2.221 57.983 55.803 -0.068 0.000 0.844 108 Q CB -0.326 28.443 28.738 0.053 0.000 0.898 108 Q HN 0.481 nan 8.270 nan 0.000 0.426 109 E N -0.425 119.717 120.200 -0.097 0.000 2.299 109 E HA -0.130 4.218 4.350 -0.003 0.000 0.193 109 E C 1.933 178.458 176.600 -0.124 0.000 0.998 109 E CA 0.233 56.575 56.400 -0.096 0.000 0.851 109 E CB 0.103 29.775 29.700 -0.046 0.000 0.795 109 E HN 0.177 nan 8.360 nan 0.000 0.492 110 R N 0.264 120.673 120.500 -0.152 0.000 2.090 110 R HA -0.044 4.294 4.340 -0.003 0.000 0.228 110 R C 1.163 177.329 176.300 -0.222 0.000 1.110 110 R CA 1.537 57.549 56.100 -0.147 0.000 0.973 110 R CB 0.029 30.265 30.300 -0.106 0.000 0.869 110 R HN 0.095 nan 8.270 nan 0.000 0.440 111 N N 0.558 119.023 118.700 -0.392 0.000 2.521 111 N HA 0.056 4.795 4.740 -0.003 0.000 0.188 111 N C -0.218 175.130 175.510 -0.270 0.000 1.146 111 N CA 0.677 53.482 53.050 -0.408 0.000 0.893 111 N CB 0.326 38.369 38.487 -0.741 0.000 0.975 111 N HN 0.258 nan 8.380 nan 0.000 0.451 112 A N 1.092 123.784 122.820 -0.213 0.000 2.366 112 A HA 0.312 4.630 4.320 -0.003 0.000 0.249 112 A C 0.239 177.760 177.584 -0.104 0.000 1.084 112 A CA -0.287 51.666 52.037 -0.141 0.000 0.794 112 A CB 0.185 19.118 19.000 -0.111 0.000 1.034 112 A HN 0.389 nan 8.150 nan 0.000 0.491 113 E N 1.069 121.222 120.200 -0.079 0.000 2.246 113 E HA 0.375 4.723 4.350 -0.003 0.000 0.266 113 E C -1.055 175.519 176.600 -0.043 0.000 0.880 113 E CA -0.983 55.381 56.400 -0.059 0.000 0.762 113 E CB 1.171 30.838 29.700 -0.056 0.000 1.180 113 E HN 0.466 nan 8.360 nan 0.000 0.416 114 N N 2.245 120.924 118.700 -0.035 0.000 2.458 114 N HA 0.151 4.889 4.740 -0.003 0.000 0.270 114 N C 0.607 176.108 175.510 -0.016 0.000 1.102 114 N CA 0.269 53.304 53.050 -0.025 0.000 0.967 114 N CB 1.572 40.047 38.487 -0.021 0.000 1.078 114 N HN 0.677 nan 8.380 nan 0.000 0.471 115 A N 4.798 127.611 122.820 -0.011 0.000 1.972 115 A HA -0.098 4.221 4.320 -0.003 0.000 0.219 115 A C 2.009 179.598 177.584 0.009 0.000 1.169 115 A CA 1.027 53.064 52.037 -0.001 0.000 0.635 115 A CB -0.577 18.421 19.000 -0.003 0.000 0.810 115 A HN 0.825 nan 8.150 nan 0.000 0.446 116 I N -0.615 119.957 120.570 0.003 0.000 2.546 116 I HA -0.142 4.026 4.170 -0.003 0.000 0.255 116 I C 2.214 178.338 176.117 0.013 0.000 1.163 116 I CA 0.797 62.102 61.300 0.009 0.000 1.457 116 I CB -0.335 37.666 38.000 0.003 0.000 1.092 116 I HN 0.280 nan 8.210 nan 0.000 0.434 117 E N 1.259 121.460 120.200 0.002 0.000 2.072 117 E HA -0.122 4.226 4.350 -0.003 0.000 0.190 117 E C 2.395 178.993 176.600 -0.002 0.000 0.982 117 E CA 1.262 57.660 56.400 -0.004 0.000 0.803 117 E CB -0.289 29.401 29.700 -0.016 0.000 0.755 117 E HN 0.414 nan 8.360 nan 0.000 0.453 118 A N 1.733 124.554 122.820 0.001 0.000 1.903 118 A HA -0.234 4.085 4.320 -0.003 0.000 0.219 118 A C 2.408 180.010 177.584 0.030 0.000 1.191 118 A CA 1.667 53.703 52.037 -0.002 0.000 0.638 118 A CB -1.024 17.990 19.000 0.024 0.000 0.823 118 A HN 0.244 nan 8.150 nan 0.000 0.451 119 L N -0.854 120.429 121.223 0.100 0.000 2.064 119 L HA -0.288 4.050 4.340 -0.003 0.000 0.216 119 L C 2.345 179.307 176.870 0.152 0.000 1.077 119 L CA 2.083 57.039 54.840 0.194 0.000 0.766 119 L CB -0.483 41.644 42.059 0.114 0.000 0.890 119 L HN 0.398 nan 8.230 nan 0.000 0.435 120 K N 0.060 120.490 120.400 0.050 0.000 2.585 120 K HA -0.195 4.123 4.320 -0.003 0.000 0.194 120 K C 1.688 178.262 176.600 -0.042 0.000 1.037 120 K CA 1.039 57.336 56.287 0.017 0.000 0.964 120 K CB -0.129 32.370 32.500 -0.002 0.000 0.787 120 K HN 0.535 nan 8.250 nan 0.000 0.488 121 E N -0.285 119.832 120.200 -0.138 0.000 2.435 121 E HA -0.145 4.203 4.350 -0.003 0.000 0.195 121 E C 0.323 176.689 176.600 -0.390 0.000 1.029 121 E CA 0.672 56.891 56.400 -0.302 0.000 0.865 121 E CB 0.091 29.512 29.700 -0.464 0.000 0.833 121 E HN 0.361 nan 8.360 nan 0.000 0.510 122 Y N 1.476 121.775 120.300 -0.000 0.000 2.625 122 Y HA 0.347 4.896 4.550 -0.003 0.000 0.285 122 Y C -0.384 175.520 175.900 0.008 0.000 1.168 122 Y CA -0.367 57.736 58.100 0.004 0.000 1.250 122 Y CB 0.527 38.990 38.460 0.005 0.000 1.130 122 Y HN -0.013 nan 8.280 nan 0.000 0.526 123 E N 2.668 122.921 120.200 0.089 0.000 2.145 123 E HA 0.250 4.598 4.350 -0.003 0.000 0.262 123 E C -2.469 174.151 176.600 0.034 0.000 0.883 123 E CA -2.221 54.218 56.400 0.065 0.000 0.748 123 E CB 1.291 31.020 29.700 0.048 0.000 1.140 123 E HN 0.046 nan 8.360 nan 0.000 0.417 124 P HA -0.044 nan 4.420 nan 0.000 0.269 124 P C 0.189 177.495 177.300 0.010 0.000 1.215 124 P CA 0.135 63.247 63.100 0.019 0.000 0.780 124 P CB 1.392 33.105 31.700 0.022 0.000 0.898 125 E N 0.960 121.160 120.200 0.001 0.000 2.170 125 E HA -0.011 4.337 4.350 -0.003 0.000 0.191 125 E C 0.258 176.857 176.600 -0.002 0.000 0.981 125 E CA 0.711 57.109 56.400 -0.003 0.000 0.830 125 E CB 0.154 29.849 29.700 -0.008 0.000 0.775 125 E HN 0.361 nan 8.360 nan 0.000 0.470 126 M N -0.237 119.361 119.600 -0.003 0.000 2.644 126 M HA 0.537 5.015 4.480 -0.003 0.000 0.304 126 M C 0.076 176.370 176.300 -0.010 0.000 1.215 126 M CA -0.705 54.591 55.300 -0.008 0.000 0.871 126 M CB 1.733 34.325 32.600 -0.013 0.000 1.740 126 M HN 0.022 nan 8.290 nan 0.000 0.464 127 G N 0.946 109.736 108.800 -0.018 0.000 2.690 127 G HA2 0.711 4.669 3.960 -0.003 0.000 0.291 127 G HA3 0.711 4.669 3.960 -0.003 0.000 0.291 127 G C -1.660 173.210 174.900 -0.050 0.000 1.403 127 G CA -0.734 44.350 45.100 -0.025 0.000 0.864 127 G HN 0.552 nan 8.290 nan 0.000 0.480 128 K N 0.075 120.435 120.400 -0.066 0.000 2.274 128 K HA 0.633 4.951 4.320 -0.003 0.000 0.262 128 K C -0.298 176.213 176.600 -0.149 0.000 0.961 128 K CA -0.733 55.481 56.287 -0.121 0.000 0.833 128 K CB 2.332 34.755 32.500 -0.128 0.000 1.102 128 K HN 0.570 nan 8.250 nan 0.000 0.436 129 V N -0.348 119.444 119.914 -0.203 0.000 3.126 129 V HA 0.579 4.697 4.120 -0.003 0.000 0.314 129 V C -1.549 174.361 176.094 -0.307 0.000 1.138 129 V CA -0.892 61.304 62.300 -0.173 0.000 1.034 129 V CB 1.489 33.263 31.823 -0.081 0.000 1.075 129 V HN 0.625 nan 8.190 nan 0.000 0.442 130 Y N 1.185 121.472 120.300 -0.022 0.000 2.376 130 Y HA 0.755 5.303 4.550 -0.003 0.000 0.326 130 Y C 0.346 176.231 175.900 -0.025 0.000 0.970 130 Y CA -0.488 57.600 58.100 -0.020 0.000 1.248 130 Y CB 1.765 40.214 38.460 -0.018 0.000 1.117 130 Y HN 0.645 nan 8.280 nan 0.000 0.476 131 R N 0.875 121.449 120.500 0.124 0.000 2.778 131 R HA 0.673 5.011 4.340 -0.003 0.000 0.277 131 R C 0.875 177.211 176.300 0.060 0.000 0.977 131 R CA -0.324 55.812 56.100 0.060 0.000 0.950 131 R CB 1.670 31.979 30.300 0.015 0.000 1.165 131 R HN 0.758 nan 8.270 nan 0.000 0.474 132 A N 1.432 124.270 122.820 0.030 0.000 1.948 132 A HA -0.234 4.084 4.320 -0.003 0.000 0.220 132 A C 1.288 178.885 177.584 0.022 0.000 1.177 132 A CA 2.149 54.199 52.037 0.022 0.000 0.636 132 A CB -0.570 18.433 19.000 0.006 0.000 0.815 132 A HN 0.893 nan 8.150 nan 0.000 0.449 133 D N -1.065 119.345 120.400 0.017 0.000 2.403 133 D HA -0.057 4.581 4.640 -0.003 0.000 0.227 133 D C 0.704 177.017 176.300 0.021 0.000 0.995 133 D CA 0.616 54.625 54.000 0.014 0.000 0.928 133 D CB -0.159 40.645 40.800 0.007 0.000 0.887 133 D HN 0.499 nan 8.370 nan 0.000 0.529 134 R N -0.765 119.757 120.500 0.036 0.000 2.629 134 R HA 0.139 4.477 4.340 -0.003 0.000 0.266 134 R C 0.891 177.237 176.300 0.077 0.000 1.051 134 R CA -0.790 55.337 56.100 0.045 0.000 0.895 134 R CB 1.528 31.850 30.300 0.036 0.000 1.246 134 R HN -0.145 nan 8.270 nan 0.000 0.459 135 K N 0.103 120.545 120.400 0.069 0.000 2.076 135 K HA 0.025 4.343 4.320 -0.003 0.000 0.204 135 K C 0.840 177.530 176.600 0.151 0.000 1.051 135 K CA 1.085 57.418 56.287 0.078 0.000 0.949 135 K CB -0.198 32.329 32.500 0.044 0.000 0.726 135 K HN 0.512 nan 8.250 nan 0.000 0.443 136 S N 1.218 117.007 115.700 0.148 0.000 2.693 136 S HA 0.327 4.795 4.470 -0.003 0.000 0.276 136 S C 0.290 174.998 174.600 0.180 0.000 1.192 136 S CA -0.987 57.337 58.200 0.207 0.000 0.994 136 S CB 1.536 64.794 63.200 0.097 0.000 1.012 136 S HN 0.083 nan 8.310 nan 0.000 0.550 137 V N 1.266 121.196 119.914 0.027 0.000 2.740 137 V HA 0.220 4.339 4.120 -0.003 0.000 0.303 137 V C -0.488 175.437 176.094 -0.280 0.000 1.054 137 V CA 0.166 62.120 62.300 -0.576 0.000 1.106 137 V CB 0.723 32.094 31.823 -0.752 0.000 0.957 137 V HN 0.947 nan 8.190 nan 0.000 0.486 138 Q N 5.321 124.946 119.800 -0.292 0.000 2.333 138 Q HA 0.479 4.817 4.340 -0.003 0.000 0.267 138 Q C -0.586 175.329 176.000 -0.141 0.000 1.012 138 Q CA -0.503 55.208 55.803 -0.153 0.000 0.824 138 Q CB 1.983 30.662 28.738 -0.099 0.000 1.290 138 Q HN 0.684 nan 8.270 nan 0.000 0.449 139 R N 3.972 124.415 120.500 -0.094 0.000 2.391 139 R HA 0.274 4.613 4.340 -0.003 0.000 0.310 139 R C -0.194 176.078 176.300 -0.047 0.000 1.174 139 R CA -0.073 55.984 56.100 -0.071 0.000 1.118 139 R CB -0.194 30.073 30.300 -0.055 0.000 1.134 139 R HN 0.688 nan 8.270 nan 0.000 0.524 140 I N -1.128 119.416 120.570 -0.044 0.000 3.514 140 I HA 0.419 4.587 4.170 -0.003 0.000 0.300 140 I C -0.406 175.704 176.117 -0.012 0.000 1.194 140 I CA -1.094 60.192 61.300 -0.023 0.000 0.968 140 I CB 0.907 38.897 38.000 -0.017 0.000 1.418 140 I HN 0.163 nan 8.210 nan 0.000 0.614 141 K N 1.759 122.161 120.400 0.002 0.000 2.285 141 K HA 0.306 4.624 4.320 -0.003 0.000 0.286 141 K C 0.871 177.483 176.600 0.020 0.000 1.072 141 K CA 0.172 56.464 56.287 0.009 0.000 0.913 141 K CB 1.653 34.160 32.500 0.011 0.000 1.067 141 K HN 0.805 nan 8.250 nan 0.000 0.479 142 A N 4.033 126.862 122.820 0.015 0.000 1.944 142 A HA -0.316 4.002 4.320 -0.003 0.000 0.222 142 A C 2.132 179.743 177.584 0.046 0.000 1.237 142 A CA 2.337 54.388 52.037 0.023 0.000 0.668 142 A CB -0.555 18.458 19.000 0.021 0.000 0.830 142 A HN 0.896 nan 8.150 nan 0.000 0.471 143 R N -0.586 119.945 120.500 0.052 0.000 2.170 143 R HA -0.184 4.154 4.340 -0.003 0.000 0.242 143 R C 0.558 176.967 176.300 0.183 0.000 1.145 143 R CA 1.883 58.038 56.100 0.092 0.000 0.984 143 R CB -0.309 30.009 30.300 0.030 0.000 0.869 143 R HN 0.595 nan 8.270 nan 0.000 0.455 144 D N -0.089 120.393 120.400 0.136 0.000 2.339 144 D HA 0.071 4.709 4.640 -0.003 0.000 0.217 144 D C 0.439 176.780 176.300 0.068 0.000 1.050 144 D CA 0.151 54.230 54.000 0.133 0.000 0.856 144 D CB 0.286 41.147 40.800 0.100 0.000 0.922 144 D HN 0.283 nan 8.370 nan 0.000 0.518 145 I N 1.181 121.782 120.570 0.053 0.000 2.696 145 I HA 0.023 4.191 4.170 -0.003 0.000 0.284 145 I C 0.291 176.428 176.117 0.034 0.000 1.129 145 I CA -0.057 61.257 61.300 0.024 0.000 1.410 145 I CB 1.197 39.202 38.000 0.008 0.000 1.399 145 I HN -0.340 nan 8.210 nan 0.000 0.579 146 V N 6.147 126.075 119.914 0.022 0.000 2.914 146 V HA 0.343 4.461 4.120 -0.003 0.000 0.314 146 V C -2.417 173.669 176.094 -0.014 0.000 1.084 146 V CA -1.961 60.376 62.300 0.062 0.000 0.963 146 V CB 2.052 33.961 31.823 0.144 0.000 1.025 146 V HN 0.571 nan 8.190 nan 0.000 0.432 147 P HA 0.314 nan 4.420 nan 0.000 0.266 147 P C 0.765 177.700 177.300 -0.610 0.000 1.215 147 P CA 1.463 64.383 63.100 -0.299 0.000 0.763 147 P CB 0.569 32.050 31.700 -0.365 0.000 0.806 148 G N 3.187 111.346 108.800 -1.069 0.000 2.799 148 G HA2 -0.165 3.794 3.960 -0.003 0.000 0.200 148 G HA3 -0.165 3.794 3.960 -0.003 0.000 0.200 148 G C -0.223 174.448 174.900 -0.382 0.000 1.206 148 G CA -0.073 44.337 45.100 -1.149 0.000 0.827 148 G HN 0.651 nan 8.290 nan 0.000 0.511 149 D N 2.149 122.429 120.400 -0.200 0.000 2.400 149 D HA 0.391 5.029 4.640 -0.003 0.000 0.238 149 D C 0.388 176.641 176.300 -0.078 0.000 1.157 149 D CA -0.328 53.610 54.000 -0.104 0.000 0.889 149 D CB 0.641 41.401 40.800 -0.067 0.000 1.199 149 D HN 0.276 nan 8.370 nan 0.000 0.436 150 I N 1.169 121.730 120.570 -0.015 0.000 2.556 150 I HA 0.142 4.310 4.170 -0.003 0.000 0.284 150 I C 0.168 176.316 176.117 0.051 0.000 1.114 150 I CA -0.144 61.175 61.300 0.033 0.000 1.418 150 I CB 1.027 39.081 38.000 0.090 0.000 1.394 150 I HN 0.223 nan 8.210 nan 0.000 0.552 151 V N 5.992 125.930 119.914 0.041 0.000 2.841 151 V HA 0.483 4.601 4.120 -0.003 0.000 0.310 151 V C -0.564 175.560 176.094 0.049 0.000 1.090 151 V CA -0.832 61.481 62.300 0.023 0.000 0.930 151 V CB 2.230 34.044 31.823 -0.015 0.000 1.014 151 V HN 0.821 nan 8.190 nan 0.000 0.425 152 E N 3.399 123.622 120.200 0.039 0.000 2.199 152 E HA 0.806 5.154 4.350 -0.003 0.000 0.269 152 E C -1.182 175.425 176.600 0.011 0.000 0.899 152 E CA -0.790 55.643 56.400 0.055 0.000 0.772 152 E CB 2.359 32.135 29.700 0.126 0.000 1.155 152 E HN 0.549 nan 8.360 nan 0.000 0.408 153 V N -0.389 119.532 119.914 0.011 0.000 2.876 153 V HA 0.989 5.107 4.120 -0.003 0.000 0.312 153 V C -0.400 175.697 176.094 0.005 0.000 1.085 153 V CA -0.361 61.939 62.300 0.001 0.000 0.945 153 V CB 0.994 32.814 31.823 -0.005 0.000 1.017 153 V HN 1.051 nan 8.190 nan 0.000 0.428 154 A N 2.260 125.082 122.820 0.004 0.000 2.507 154 A HA 0.923 5.241 4.320 -0.003 0.000 0.284 154 A C -0.248 177.340 177.584 0.006 0.000 1.281 154 A CA -0.624 51.417 52.037 0.007 0.000 0.744 154 A CB 1.301 20.306 19.000 0.009 0.000 1.332 154 A HN 1.597 nan 8.150 nan 0.000 0.454 155 V N 0.394 120.312 119.914 0.008 0.000 2.928 155 V HA 0.338 4.456 4.120 -0.003 0.000 0.307 155 V C 1.838 177.937 176.094 0.010 0.000 1.105 155 V CA 1.684 63.989 62.300 0.009 0.000 1.223 155 V CB -0.230 31.599 31.823 0.010 0.000 0.930 155 V HN 2.413 nan 8.190 nan 0.000 0.499 156 G N 2.890 111.697 108.800 0.012 0.000 2.550 156 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.233 156 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.233 156 G C 0.043 174.952 174.900 0.015 0.000 1.170 156 G CA 0.242 45.350 45.100 0.013 0.000 0.693 156 G HN 0.751 nan 8.290 nan 0.000 0.512 157 D N 1.630 122.037 120.400 0.011 0.000 2.571 157 D HA 0.347 4.985 4.640 -0.003 0.000 0.231 157 D C 0.621 176.934 176.300 0.021 0.000 1.133 157 D CA 0.670 54.677 54.000 0.012 0.000 0.862 157 D CB 0.762 41.565 40.800 0.006 0.000 1.179 157 D HN 0.576 nan 8.370 nan 0.000 0.474 158 K N 1.780 122.196 120.400 0.027 0.000 2.211 158 K HA 0.286 4.604 4.320 -0.003 0.000 0.275 158 K C -0.768 175.855 176.600 0.039 0.000 1.024 158 K CA -0.778 55.536 56.287 0.045 0.000 0.887 158 K CB 0.882 33.416 32.500 0.057 0.000 1.084 158 K HN 0.118 nan 8.250 nan 0.000 0.463 159 V N 7.396 127.336 119.914 0.042 0.000 2.617 159 V HA -0.015 4.103 4.120 -0.003 0.000 0.304 159 V C -1.697 174.421 176.094 0.040 0.000 1.040 159 V CA -0.889 61.430 62.300 0.032 0.000 1.149 159 V CB 0.895 32.735 31.823 0.030 0.000 0.914 159 V HN 0.849 nan 8.190 nan 0.000 0.487 160 P HA 0.161 nan 4.420 nan 0.000 0.215 160 P C 0.157 177.475 177.300 0.030 0.000 1.157 160 P CA 0.951 64.067 63.100 0.027 0.000 0.869 160 P CB 0.411 32.118 31.700 0.013 0.000 0.781 161 A N -0.981 121.850 122.820 0.017 0.000 2.389 161 A HA 0.559 4.877 4.320 -0.003 0.000 0.293 161 A C -1.121 176.474 177.584 0.019 0.000 1.186 161 A CA -0.410 51.637 52.037 0.017 0.000 0.828 161 A CB 0.133 19.130 19.000 -0.005 0.000 1.369 161 A HN -0.161 nan 8.150 nan 0.000 0.446 162 D N 0.956 121.372 120.400 0.025 0.000 2.339 162 D HA 0.500 5.138 4.640 -0.003 0.000 0.241 162 D C -0.604 175.688 176.300 -0.013 0.000 1.183 162 D CA 0.687 54.709 54.000 0.037 0.000 0.859 162 D CB 0.352 41.204 40.800 0.086 0.000 1.067 162 D HN 0.351 nan 8.370 nan 0.000 0.484 163 I N 2.115 122.655 120.570 -0.050 0.000 2.441 163 I HA 0.345 4.513 4.170 -0.003 0.000 0.295 163 I C 0.288 176.361 176.117 -0.073 0.000 0.994 163 I CA -1.147 60.117 61.300 -0.060 0.000 1.144 163 I CB 1.676 39.642 38.000 -0.057 0.000 1.314 163 I HN 0.014 nan 8.210 nan 0.000 0.445 164 R N 6.695 127.172 120.500 -0.039 0.000 2.254 164 R HA 0.493 4.831 4.340 -0.003 0.000 0.318 164 R C -1.008 175.277 176.300 -0.026 0.000 1.031 164 R CA -0.249 55.837 56.100 -0.025 0.000 0.905 164 R CB 0.413 30.721 30.300 0.013 0.000 1.050 164 R HN 0.520 nan 8.270 nan 0.000 0.456 165 I N 6.849 127.400 120.570 -0.033 0.000 2.471 165 I HA 0.028 4.196 4.170 -0.003 0.000 0.286 165 I C 0.884 176.999 176.117 -0.005 0.000 1.079 165 I CA -0.137 61.149 61.300 -0.024 0.000 1.398 165 I CB 0.798 38.778 38.000 -0.033 0.000 1.403 165 I HN 0.618 nan 8.210 nan 0.000 0.530 166 L N 4.473 125.696 121.223 0.000 0.000 2.200 166 L HA 0.114 4.453 4.340 -0.003 0.000 0.200 166 L C 0.685 177.558 176.870 0.006 0.000 1.072 166 L CA 0.590 55.434 54.840 0.006 0.000 0.787 166 L CB -0.113 41.951 42.059 0.008 0.000 0.957 166 L HN 0.802 nan 8.230 nan 0.000 0.459 167 S N -0.835 114.868 115.700 0.004 0.000 2.563 167 S HA 0.452 4.920 4.470 -0.003 0.000 0.279 167 S C -0.910 173.693 174.600 0.006 0.000 1.155 167 S CA -0.744 57.459 58.200 0.005 0.000 0.928 167 S CB 1.160 64.360 63.200 -0.000 0.000 1.107 167 S HN 0.079 nan 8.310 nan 0.000 0.462 168 I N 3.922 124.497 120.570 0.009 0.000 2.322 168 I HA 0.240 4.408 4.170 -0.003 0.000 0.292 168 I C 0.976 177.098 176.117 0.008 0.000 1.060 168 I CA -0.682 60.622 61.300 0.006 0.000 1.309 168 I CB 0.863 38.867 38.000 0.007 0.000 1.415 168 I HN 0.641 nan 8.210 nan 0.000 0.492 169 K N 3.864 124.269 120.400 0.009 0.000 2.555 169 K HA 0.025 4.343 4.320 -0.003 0.000 0.193 169 K C 0.693 177.299 176.600 0.010 0.000 1.032 169 K CA 0.220 56.513 56.287 0.009 0.000 1.004 169 K CB -0.298 32.212 32.500 0.016 0.000 0.804 169 K HN 0.691 nan 8.250 nan 0.000 0.496 170 S N -1.069 114.636 115.700 0.009 0.000 2.759 170 S HA 0.262 4.731 4.470 -0.003 0.000 0.310 170 S C 1.308 175.915 174.600 0.010 0.000 1.123 170 S CA -0.337 57.869 58.200 0.009 0.000 0.959 170 S CB 1.373 64.578 63.200 0.009 0.000 1.172 170 S HN 0.142 nan 8.310 nan 0.000 0.539 171 T N -2.010 112.551 114.554 0.012 0.000 2.867 171 T HA 0.135 4.483 4.350 -0.003 0.000 0.268 171 T C 0.788 175.500 174.700 0.019 0.000 1.057 171 T CA 1.434 63.543 62.100 0.015 0.000 1.136 171 T CB -0.441 68.437 68.868 0.016 0.000 0.874 171 T HN 0.777 nan 8.240 nan 0.000 0.466 172 T N 0.173 114.735 114.554 0.014 0.000 2.894 172 T HA 0.572 4.921 4.350 -0.003 0.000 0.309 172 T C -2.421 172.273 174.700 -0.009 0.000 1.208 172 T CA -0.833 61.271 62.100 0.007 0.000 1.016 172 T CB 1.698 70.578 68.868 0.019 0.000 1.192 172 T HN 0.220 nan 8.240 nan 0.000 0.491 173 L N 4.415 125.616 121.223 -0.036 0.000 2.372 173 L HA 0.712 5.051 4.340 -0.003 0.000 0.274 173 L C -0.902 175.941 176.870 -0.046 0.000 0.988 173 L CA -0.437 54.379 54.840 -0.040 0.000 0.833 173 L CB 1.146 43.173 42.059 -0.053 0.000 1.236 173 L HN 0.517 nan 8.230 nan 0.000 0.410 174 R N 4.233 124.721 120.500 -0.021 0.000 2.514 174 R HA 0.833 5.171 4.340 -0.003 0.000 0.301 174 R C -1.199 175.098 176.300 -0.006 0.000 0.962 174 R CA -0.740 55.354 56.100 -0.010 0.000 0.882 174 R CB 1.968 32.272 30.300 0.006 0.000 1.143 174 R HN 0.428 nan 8.270 nan 0.000 0.452 175 V N 0.461 120.375 119.914 -0.000 0.000 2.876 175 V HA 0.262 4.380 4.120 -0.003 0.000 0.312 175 V C -0.540 175.570 176.094 0.026 0.000 1.085 175 V CA -1.015 61.290 62.300 0.008 0.000 0.945 175 V CB 2.516 34.337 31.823 -0.004 0.000 1.017 175 V HN 0.575 nan 8.190 nan 0.000 0.428 176 D N 1.668 122.089 120.400 0.033 0.000 2.485 176 D HA 0.324 4.962 4.640 -0.003 0.000 0.221 176 D C 0.634 176.963 176.300 0.049 0.000 1.112 176 D CA -0.048 53.976 54.000 0.039 0.000 0.911 176 D CB 1.107 41.929 40.800 0.038 0.000 1.019 176 D HN 0.571 nan 8.370 nan 0.000 0.516 177 Q N 1.227 121.063 119.800 0.060 0.000 2.360 177 Q HA -0.001 4.338 4.340 -0.003 0.000 0.202 177 Q C 1.955 177.969 176.000 0.023 0.000 0.915 177 Q CA 0.067 55.915 55.803 0.075 0.000 0.943 177 Q CB 0.331 29.152 28.738 0.139 0.000 1.064 177 Q HN 0.573 nan 8.270 nan 0.000 0.511 178 S N 2.057 117.768 115.700 0.018 0.000 2.433 178 S HA -0.369 4.099 4.470 -0.003 0.000 0.276 178 S C 1.963 176.546 174.600 -0.028 0.000 1.122 178 S CA 2.021 60.223 58.200 0.003 0.000 1.277 178 S CB -1.284 61.924 63.200 0.013 0.000 1.198 178 S HN 0.647 nan 8.310 nan 0.000 0.440 179 I N -0.463 120.076 120.570 -0.052 0.000 2.151 179 I HA -0.130 4.038 4.170 -0.003 0.000 0.243 179 I C 2.491 178.519 176.117 -0.148 0.000 1.080 179 I CA 1.917 63.146 61.300 -0.118 0.000 1.339 179 I CB -0.548 37.306 38.000 -0.243 0.000 1.039 179 I HN 0.303 nan 8.210 nan 0.000 0.409 180 L N 1.097 122.230 121.223 -0.149 0.000 2.341 180 L HA 0.014 4.352 4.340 -0.003 0.000 0.214 180 L C 2.312 179.080 176.870 -0.171 0.000 1.115 180 L CA 2.182 56.907 54.840 -0.191 0.000 0.820 180 L CB -0.592 41.319 42.059 -0.248 0.000 0.944 180 L HN 0.712 nan 8.230 nan 0.000 0.452 181 T N -6.127 108.367 114.554 -0.100 0.000 2.964 181 T HA 0.369 4.717 4.350 -0.003 0.000 0.250 181 T C 1.190 175.867 174.700 -0.039 0.000 0.982 181 T CA 0.382 62.440 62.100 -0.070 0.000 0.959 181 T CB 0.384 69.239 68.868 -0.021 0.000 1.141 181 T HN 0.308 nan 8.240 nan 0.000 0.494 182 G N 1.658 110.441 108.800 -0.028 0.000 2.356 182 G HA2 -0.118 3.840 3.960 -0.003 0.000 0.233 182 G HA3 -0.118 3.840 3.960 -0.003 0.000 0.233 182 G C -0.575 174.323 174.900 -0.004 0.000 1.105 182 G CA -0.261 44.829 45.100 -0.016 0.000 0.861 182 G HN 0.655 nan 8.290 nan 0.000 0.493 183 E N 0.522 120.725 120.200 0.004 0.000 2.207 183 E HA 0.424 4.772 4.350 -0.003 0.000 0.250 183 E C 1.392 177.999 176.600 0.011 0.000 0.890 183 E CA -0.100 56.305 56.400 0.009 0.000 0.749 183 E CB 1.094 30.808 29.700 0.023 0.000 1.193 183 E HN 0.381 nan 8.360 nan 0.000 0.423 184 S N 1.572 117.276 115.700 0.007 0.000 2.370 184 S HA -0.147 4.321 4.470 -0.003 0.000 0.226 184 S C 1.285 175.892 174.600 0.013 0.000 1.033 184 S CA 0.766 58.972 58.200 0.010 0.000 1.011 184 S CB -0.635 62.570 63.200 0.008 0.000 0.852 184 S HN 0.396 nan 8.310 nan 0.000 0.457 185 V N 2.032 121.952 119.914 0.010 0.000 2.686 185 V HA 0.573 4.691 4.120 -0.003 0.000 0.295 185 V C 0.325 176.434 176.094 0.024 0.000 1.055 185 V CA -0.804 61.504 62.300 0.014 0.000 1.050 185 V CB 0.673 32.501 31.823 0.010 0.000 0.984 185 V HN 0.523 nan 8.190 nan 0.000 0.482 186 S N 4.749 120.465 115.700 0.026 0.000 2.537 186 S HA 0.435 4.903 4.470 -0.003 0.000 0.286 186 S C 0.107 174.729 174.600 0.036 0.000 1.299 186 S CA -0.124 58.094 58.200 0.029 0.000 1.067 186 S CB 0.571 63.786 63.200 0.024 0.000 0.864 186 S HN 1.920 nan 8.310 nan 0.000 0.494 187 V N 1.364 121.301 119.914 0.039 0.000 3.109 187 V HA 0.648 4.766 4.120 -0.003 0.000 0.317 187 V C 0.069 176.175 176.094 0.021 0.000 1.074 187 V CA -1.338 60.992 62.300 0.049 0.000 1.033 187 V CB 0.498 32.362 31.823 0.068 0.000 1.111 187 V HN 0.884 nan 8.190 nan 0.000 0.458 188 I N 1.944 122.524 120.570 0.018 0.000 2.392 188 I HA 0.486 4.654 4.170 -0.003 0.000 0.295 188 I C 0.064 176.082 176.117 -0.166 0.000 0.985 188 I CA -0.583 60.678 61.300 -0.066 0.000 1.221 188 I CB 1.446 39.426 38.000 -0.034 0.000 1.366 188 I HN 0.592 nan 8.210 nan 0.000 0.467 189 K N 5.210 125.459 120.400 -0.252 0.000 2.156 189 K HA 0.588 4.906 4.320 -0.003 0.000 0.250 189 K C -0.629 175.700 176.600 -0.453 0.000 0.955 189 K CA -0.760 55.376 56.287 -0.252 0.000 0.855 189 K CB 1.804 34.221 32.500 -0.138 0.000 1.101 189 K HN 0.491 nan 8.250 nan 0.000 0.434 190 H N -0.589 118.482 119.070 0.002 0.000 2.927 190 H HA 0.353 4.907 4.556 -0.003 0.000 0.316 190 H C 0.264 175.581 175.328 -0.019 0.000 1.403 190 H CA -0.506 55.539 56.048 -0.004 0.000 1.288 190 H CB 1.839 31.592 29.762 -0.016 0.000 1.944 190 H HN 0.424 nan 8.280 nan 0.000 0.629 191 T N -0.226 114.407 114.554 0.131 0.000 3.000 191 T HA 0.025 4.373 4.350 -0.003 0.000 0.248 191 T C 0.191 174.905 174.700 0.024 0.000 1.034 191 T CA -0.065 62.065 62.100 0.050 0.000 1.060 191 T CB 0.315 69.204 68.868 0.035 0.000 0.983 191 T HN 0.552 nan 8.240 nan 0.000 0.482 192 E N 3.730 123.938 120.200 0.012 0.000 2.413 192 E HA 0.137 4.485 4.350 -0.003 0.000 0.263 192 E C -2.522 174.063 176.600 -0.025 0.000 1.015 192 E CA -1.546 54.837 56.400 -0.028 0.000 0.916 192 E CB -0.026 29.628 29.700 -0.076 0.000 0.947 192 E HN 0.175 nan 8.360 nan 0.000 0.440 193 P HA -0.035 nan 4.420 nan 0.000 0.271 193 P C -0.566 176.699 177.300 -0.058 0.000 1.233 193 P CA -0.374 62.695 63.100 -0.052 0.000 0.789 193 P CB 0.724 32.384 31.700 -0.067 0.000 0.951 194 V N 3.550 123.421 119.914 -0.071 0.000 2.357 194 V HA 0.140 4.258 4.120 -0.003 0.000 0.284 194 V C -1.318 174.715 176.094 -0.102 0.000 1.018 194 V CA -1.589 60.683 62.300 -0.047 0.000 0.841 194 V CB 0.868 32.721 31.823 0.049 0.000 0.991 194 V HN 0.480 nan 8.190 nan 0.000 0.437 195 P HA -0.178 nan 4.420 nan 0.000 0.211 195 P C 0.537 177.798 177.300 -0.066 0.000 1.181 195 P CA 1.094 64.152 63.100 -0.069 0.000 0.929 195 P CB 0.051 31.724 31.700 -0.045 0.000 0.789 196 D N -1.005 119.385 120.400 -0.017 0.000 2.586 196 D HA -0.069 4.569 4.640 -0.003 0.000 0.234 196 D C -1.656 174.674 176.300 0.050 0.000 1.132 196 D CA -0.763 53.252 54.000 0.024 0.000 0.860 196 D CB 0.520 41.357 40.800 0.061 0.000 1.159 196 D HN 0.103 nan 8.370 nan 0.000 0.490 197 P HA 0.132 nan 4.420 nan 0.000 0.239 197 P C 0.396 177.822 177.300 0.209 0.000 1.188 197 P CA 0.375 63.534 63.100 0.098 0.000 0.794 197 P CB 0.418 32.135 31.700 0.028 0.000 0.937 198 R N -0.168 120.415 120.500 0.138 0.000 2.609 198 R HA 0.487 4.825 4.340 -0.003 0.000 0.326 198 R C 0.416 176.761 176.300 0.076 0.000 1.090 198 R CA -0.392 55.761 56.100 0.087 0.000 1.072 198 R CB 0.269 30.600 30.300 0.052 0.000 1.330 198 R HN 0.058 nan 8.270 nan 0.000 0.572 199 A N 1.268 124.171 122.820 0.138 0.000 2.425 199 A HA 0.276 4.594 4.320 -0.003 0.000 0.242 199 A C 0.770 178.351 177.584 -0.006 0.000 1.077 199 A CA -0.450 51.640 52.037 0.089 0.000 0.781 199 A CB 0.360 19.466 19.000 0.177 0.000 1.020 199 A HN 0.194 nan 8.150 nan 0.000 0.494 200 V N 0.942 120.861 119.914 0.009 0.000 2.953 200 V HA 0.213 4.332 4.120 -0.003 0.000 0.304 200 V C 1.124 177.213 176.094 -0.010 0.000 1.073 200 V CA -0.428 61.857 62.300 -0.025 0.000 1.064 200 V CB 0.583 32.402 31.823 -0.007 0.000 1.047 200 V HN 0.878 nan 8.190 nan 0.000 0.478 201 N N 1.229 119.896 118.700 -0.054 0.000 2.061 201 N HA -0.252 4.486 4.740 -0.003 0.000 0.193 201 N C 1.692 177.304 175.510 0.169 0.000 1.030 201 N CA 2.210 55.274 53.050 0.024 0.000 0.856 201 N CB -0.338 37.925 38.487 -0.373 0.000 1.023 201 N HN 0.943 nan 8.380 nan 0.000 0.424 202 Q N 0.697 120.547 119.800 0.082 0.000 2.173 202 Q HA -0.178 4.160 4.340 -0.003 0.000 0.208 202 Q C 0.317 176.404 176.000 0.145 0.000 0.989 202 Q CA 1.590 57.465 55.803 0.120 0.000 0.872 202 Q CB 0.074 28.860 28.738 0.080 0.000 0.909 202 Q HN 0.287 nan 8.270 nan 0.000 0.420 203 D N -0.030 120.447 120.400 0.128 0.000 2.349 203 D HA 0.023 4.661 4.640 -0.003 0.000 0.215 203 D C -0.263 176.119 176.300 0.137 0.000 1.016 203 D CA 0.436 54.513 54.000 0.127 0.000 0.870 203 D CB 0.197 41.062 40.800 0.109 0.000 0.917 203 D HN 0.181 nan 8.370 nan 0.000 0.524 204 K N 1.798 122.293 120.400 0.159 0.000 2.167 204 K HA 0.095 4.413 4.320 -0.003 0.000 0.275 204 K C 1.065 177.714 176.600 0.082 0.000 1.103 204 K CA -0.084 56.295 56.287 0.153 0.000 0.963 204 K CB 0.805 33.400 32.500 0.158 0.000 1.243 204 K HN -0.207 nan 8.250 nan 0.000 0.407 205 K N 1.131 121.578 120.400 0.078 0.000 2.365 205 K HA -0.061 4.258 4.320 -0.003 0.000 0.197 205 K C 0.720 177.323 176.600 0.005 0.000 1.042 205 K CA 0.730 57.049 56.287 0.053 0.000 0.987 205 K CB 0.046 32.612 32.500 0.111 0.000 0.779 205 K HN 0.520 nan 8.250 nan 0.000 0.484 206 N N 0.100 118.804 118.700 0.007 0.000 2.295 206 N HA 0.073 4.812 4.740 -0.003 0.000 0.221 206 N C -0.242 175.221 175.510 -0.079 0.000 1.129 206 N CA -0.100 52.940 53.050 -0.016 0.000 0.836 206 N CB 0.072 38.568 38.487 0.014 0.000 1.040 206 N HN -0.097 nan 8.380 nan 0.000 0.494 207 M N 0.694 120.187 119.600 -0.178 0.000 2.383 207 M HA 0.456 4.935 4.480 -0.003 0.000 0.325 207 M C -1.362 174.583 176.300 -0.592 0.000 1.092 207 M CA -0.791 54.290 55.300 -0.364 0.000 0.961 207 M CB 1.982 34.310 32.600 -0.453 0.000 1.672 207 M HN 0.002 nan 8.290 nan 0.000 0.438 208 L N 5.099 126.036 121.223 -0.476 0.000 2.294 208 L HA 0.471 4.810 4.340 -0.003 0.000 0.283 208 L C -1.294 175.368 176.870 -0.346 0.000 1.015 208 L CA -0.484 54.126 54.840 -0.383 0.000 0.831 208 L CB 0.574 42.532 42.059 -0.168 0.000 1.217 208 L HN 0.571 nan 8.230 nan 0.000 0.420 209 F N 1.135 121.073 119.950 -0.020 0.000 2.410 209 F HA 0.162 4.687 4.527 -0.003 0.000 0.348 209 F C 1.145 176.930 175.800 -0.024 0.000 1.106 209 F CA -0.390 57.592 58.000 -0.030 0.000 1.163 209 F CB 1.288 40.262 39.000 -0.044 0.000 1.129 209 F HN 0.359 nan 8.300 nan 0.000 0.516 210 S N 2.080 117.880 115.700 0.167 0.000 2.525 210 S HA 0.409 4.877 4.470 -0.003 0.000 0.285 210 S C 1.025 175.677 174.600 0.087 0.000 1.283 210 S CA 0.614 58.871 58.200 0.096 0.000 1.072 210 S CB -0.089 63.155 63.200 0.074 0.000 0.867 210 S HN 1.218 nan 8.310 nan 0.000 0.492 211 G N 3.149 112.004 108.800 0.091 0.000 2.307 211 G HA2 -0.231 3.728 3.960 -0.003 0.000 0.210 211 G HA3 -0.231 3.728 3.960 -0.003 0.000 0.210 211 G C 0.373 175.335 174.900 0.103 0.000 1.005 211 G CA 0.296 45.466 45.100 0.117 0.000 0.634 211 G HN 1.526 nan 8.290 nan 0.000 0.496 212 T N 0.295 114.893 114.554 0.075 0.000 2.828 212 T HA 0.582 4.931 4.350 -0.003 0.000 0.290 212 T C 0.057 174.798 174.700 0.069 0.000 1.019 212 T CA -0.020 62.122 62.100 0.069 0.000 1.031 212 T CB 1.416 70.338 68.868 0.090 0.000 1.001 212 T HN 0.270 nan 8.240 nan 0.000 0.531 213 N N 0.989 119.726 118.700 0.061 0.000 2.417 213 N HA 0.392 5.130 4.740 -0.003 0.000 0.300 213 N C -0.573 174.956 175.510 0.031 0.000 1.102 213 N CA -0.640 52.439 53.050 0.048 0.000 0.886 213 N CB 1.619 40.138 38.487 0.052 0.000 1.203 213 N HN 0.626 nan 8.380 nan 0.000 0.496 214 I N 1.883 122.466 120.570 0.022 0.000 2.291 214 I HA 0.118 4.286 4.170 -0.003 0.000 0.292 214 I C 1.461 177.586 176.117 0.014 0.000 1.064 214 I CA -0.298 61.009 61.300 0.012 0.000 1.269 214 I CB 0.973 38.976 38.000 0.005 0.000 1.418 214 I HN 0.594 nan 8.210 nan 0.000 0.485 215 A N 5.753 128.581 122.820 0.014 0.000 1.873 215 A HA 0.292 4.610 4.320 -0.003 0.000 0.215 215 A C 1.125 178.717 177.584 0.013 0.000 1.186 215 A CA 1.404 53.450 52.037 0.016 0.000 0.616 215 A CB 0.021 19.031 19.000 0.017 0.000 0.823 215 A HN 0.746 nan 8.150 nan 0.000 0.442 216 A N -2.674 120.152 122.820 0.009 0.000 2.488 216 A HA 0.654 4.972 4.320 -0.003 0.000 0.298 216 A C 0.240 177.826 177.584 0.005 0.000 1.044 216 A CA 0.209 52.251 52.037 0.009 0.000 0.693 216 A CB 0.469 19.476 19.000 0.012 0.000 1.272 216 A HN 2.234 nan 8.150 nan 0.000 0.402 217 G N 0.483 109.286 108.800 0.006 0.000 2.483 217 G HA2 0.383 4.341 3.960 -0.003 0.000 0.521 217 G HA3 0.383 4.341 3.960 -0.003 0.000 0.521 217 G C -0.710 174.193 174.900 0.006 0.000 1.278 217 G CA -0.146 44.957 45.100 0.005 0.000 0.965 217 G HN 1.455 nan 8.290 nan 0.000 0.504 218 K N -0.652 119.752 120.400 0.006 0.000 2.543 218 K HA 0.790 5.108 4.320 -0.003 0.000 0.255 218 K C -0.414 176.192 176.600 0.010 0.000 0.934 218 K CA 0.004 56.298 56.287 0.011 0.000 0.810 218 K CB 1.649 34.160 32.500 0.018 0.000 1.315 218 K HN 2.169 nan 8.250 nan 0.000 0.433 219 A N 2.736 125.563 122.820 0.011 0.000 2.588 219 A HA 0.762 5.080 4.320 -0.003 0.000 0.290 219 A C -2.212 175.385 177.584 0.022 0.000 1.136 219 A CA -0.751 51.292 52.037 0.010 0.000 0.681 219 A CB 1.502 20.499 19.000 -0.006 0.000 1.282 219 A HN 0.556 nan 8.150 nan 0.000 0.421 220 L N -0.279 120.956 121.223 0.020 0.000 2.354 220 L HA 0.916 5.254 4.340 -0.003 0.000 0.269 220 L C 0.196 177.075 176.870 0.015 0.000 1.005 220 L CA 0.563 55.423 54.840 0.034 0.000 0.819 220 L CB 2.190 44.272 42.059 0.037 0.000 1.311 220 L HN 1.398 nan 8.230 nan 0.000 0.423 221 G N 3.213 112.023 108.800 0.016 0.000 2.660 221 G HA2 0.434 4.392 3.960 -0.003 0.000 0.290 221 G HA3 0.434 4.392 3.960 -0.003 0.000 0.290 221 G C -2.092 172.801 174.900 -0.012 0.000 1.432 221 G CA -0.596 44.503 45.100 -0.003 0.000 0.807 221 G HN 0.738 nan 8.290 nan 0.000 0.485 222 I N 1.192 121.748 120.570 -0.023 0.000 2.354 222 I HA 0.487 4.655 4.170 -0.003 0.000 0.292 222 I C -0.117 175.942 176.117 -0.097 0.000 0.989 222 I CA -0.916 60.348 61.300 -0.060 0.000 1.188 222 I CB 1.474 39.461 38.000 -0.022 0.000 1.342 222 I HN 0.212 nan 8.210 nan 0.000 0.457 223 V N 9.154 128.967 119.914 -0.167 0.000 2.434 223 V HA 0.001 4.119 4.120 -0.003 0.000 0.281 223 V C 1.271 177.256 176.094 -0.181 0.000 1.005 223 V CA 0.830 63.032 62.300 -0.164 0.000 1.089 223 V CB 0.227 31.946 31.823 -0.172 0.000 0.978 223 V HN 1.016 nan 8.190 nan 0.000 0.474 224 A N 5.431 128.219 122.820 -0.053 0.000 1.825 224 A HA 0.050 4.368 4.320 -0.003 0.000 0.214 224 A C 1.214 178.810 177.584 0.021 0.000 1.206 224 A CA 1.703 53.760 52.037 0.034 0.000 0.609 224 A CB -0.245 18.776 19.000 0.036 0.000 0.851 224 A HN 0.855 nan 8.150 nan 0.000 0.445 225 T N -3.924 110.621 114.554 -0.015 0.000 2.901 225 T HA 0.602 4.950 4.350 -0.003 0.000 0.293 225 T C -0.375 174.307 174.700 -0.031 0.000 1.084 225 T CA 0.080 62.157 62.100 -0.039 0.000 1.008 225 T CB 1.670 70.531 68.868 -0.012 0.000 1.170 225 T HN 0.883 nan 8.240 nan 0.000 0.509 226 T N -2.215 112.322 114.554 -0.027 0.000 2.831 226 T HA 0.791 5.140 4.350 -0.003 0.000 0.287 226 T C 1.082 175.802 174.700 0.034 0.000 1.070 226 T CA 0.114 62.219 62.100 0.008 0.000 1.010 226 T CB 0.986 69.864 68.868 0.016 0.000 1.264 226 T HN 2.067 nan 8.240 nan 0.000 0.532 227 G N 0.134 108.964 108.800 0.051 0.000 2.634 227 G HA2 -0.315 3.644 3.960 -0.003 0.000 0.309 227 G HA3 -0.315 3.644 3.960 -0.003 0.000 0.309 227 G C 1.051 175.979 174.900 0.046 0.000 1.265 227 G CA 0.730 45.866 45.100 0.060 0.000 0.998 227 G HN 1.630 nan 8.290 nan 0.000 0.551 228 V N 1.129 121.072 119.914 0.047 0.000 3.305 228 V HA 0.108 4.227 4.120 -0.003 0.000 0.269 228 V C 2.487 178.597 176.094 0.026 0.000 1.157 228 V CA 2.619 64.940 62.300 0.034 0.000 1.157 228 V CB -0.079 31.765 31.823 0.036 0.000 0.772 228 V HN 0.679 nan 8.190 nan 0.000 0.498 229 S N -0.395 115.323 115.700 0.030 0.000 2.528 229 S HA 0.024 4.493 4.470 -0.003 0.000 0.219 229 S C 1.067 175.675 174.600 0.013 0.000 0.985 229 S CA 0.606 58.819 58.200 0.021 0.000 0.914 229 S CB -0.117 63.097 63.200 0.024 0.000 0.776 229 S HN 0.832 nan 8.310 nan 0.000 0.526 230 T N 0.593 115.158 114.554 0.019 0.000 2.766 230 T HA 0.253 4.601 4.350 -0.003 0.000 0.295 230 T C 0.990 175.692 174.700 0.003 0.000 1.024 230 T CA -0.516 61.600 62.100 0.027 0.000 1.018 230 T CB 0.572 69.464 68.868 0.040 0.000 1.002 230 T HN -0.162 nan 8.240 nan 0.000 0.532 231 E N -0.005 120.195 120.200 -0.000 0.000 2.130 231 E HA -0.108 4.241 4.350 -0.003 0.000 0.196 231 E C 1.793 178.332 176.600 -0.102 0.000 0.998 231 E CA 1.009 57.354 56.400 -0.092 0.000 0.806 231 E CB -0.358 29.202 29.700 -0.233 0.000 0.738 231 E HN 0.726 nan 8.360 nan 0.000 0.459 232 I N -0.105 120.425 120.570 -0.066 0.000 2.406 232 I HA -0.117 4.051 4.170 -0.003 0.000 0.249 232 I C 2.098 178.196 176.117 -0.032 0.000 1.122 232 I CA 1.013 62.276 61.300 -0.062 0.000 1.431 232 I CB -0.143 37.835 38.000 -0.038 0.000 1.087 232 I HN 0.098 nan 8.210 nan 0.000 0.424 233 G N 0.662 109.455 108.800 -0.012 0.000 2.422 233 G HA2 -0.212 3.747 3.960 -0.003 0.000 0.218 233 G HA3 -0.212 3.747 3.960 -0.003 0.000 0.218 233 G C 1.647 176.539 174.900 -0.013 0.000 1.140 233 G CA 0.342 45.441 45.100 -0.001 0.000 0.775 233 G HN 0.295 nan 8.290 nan 0.000 0.545 234 K N 0.037 120.421 120.400 -0.028 0.000 2.147 234 K HA 0.068 4.386 4.320 -0.003 0.000 0.205 234 K C 2.303 178.877 176.600 -0.043 0.000 1.049 234 K CA 0.605 56.871 56.287 -0.035 0.000 0.936 234 K CB -0.138 32.332 32.500 -0.051 0.000 0.722 234 K HN 0.363 nan 8.250 nan 0.000 0.446 235 I N 0.811 121.350 120.570 -0.052 0.000 2.333 235 I HA -0.196 3.972 4.170 -0.003 0.000 0.246 235 I C 2.762 178.859 176.117 -0.033 0.000 1.106 235 I CA 0.690 61.959 61.300 -0.053 0.000 1.411 235 I CB -0.247 37.713 38.000 -0.067 0.000 1.082 235 I HN 0.162 nan 8.210 nan 0.000 0.420 236 R N 1.181 121.668 120.500 -0.021 0.000 2.117 236 R HA -0.227 4.112 4.340 -0.003 0.000 0.243 236 R C 1.652 177.946 176.300 -0.010 0.000 1.143 236 R CA 2.102 58.197 56.100 -0.008 0.000 0.968 236 R CB -0.185 30.118 30.300 0.004 0.000 0.863 236 R HN 0.315 nan 8.270 nan 0.000 0.444 237 D N 0.323 120.716 120.400 -0.012 0.000 2.123 237 D HA -0.129 4.509 4.640 -0.003 0.000 0.200 237 D C 2.033 178.322 176.300 -0.018 0.000 0.976 237 D CA 1.100 55.093 54.000 -0.012 0.000 0.831 237 D CB -0.239 40.555 40.800 -0.010 0.000 0.974 237 D HN 0.398 nan 8.370 nan 0.000 0.469 238 Q N -0.211 119.573 119.800 -0.026 0.000 2.135 238 Q HA -0.088 4.250 4.340 -0.003 0.000 0.204 238 Q C 2.246 178.229 176.000 -0.027 0.000 0.981 238 Q CA 1.062 56.846 55.803 -0.031 0.000 0.856 238 Q CB -0.082 28.631 28.738 -0.041 0.000 0.902 238 Q HN 0.330 nan 8.270 nan 0.000 0.425 239 M N -0.367 119.218 119.600 -0.024 0.000 2.156 239 M HA -0.085 4.393 4.480 -0.003 0.000 0.264 239 M C 2.265 178.555 176.300 -0.016 0.000 1.067 239 M CA 1.295 56.583 55.300 -0.020 0.000 1.131 239 M CB -0.142 32.448 32.600 -0.016 0.000 1.368 239 M HN 0.219 nan 8.290 nan 0.000 0.416 240 A N 0.005 122.817 122.820 -0.013 0.000 2.014 240 A HA 0.128 4.447 4.320 -0.003 0.000 0.218 240 A C 2.199 179.776 177.584 -0.011 0.000 1.163 240 A CA 1.515 53.546 52.037 -0.010 0.000 0.652 240 A CB -0.589 18.408 19.000 -0.005 0.000 0.808 240 A HN 0.477 nan 8.150 nan 0.000 0.449 241 A N -1.387 121.425 122.820 -0.014 0.000 2.132 241 A HA 0.216 4.534 4.320 -0.003 0.000 0.213 241 A C 1.370 178.943 177.584 -0.019 0.000 1.154 241 A CA 0.993 53.020 52.037 -0.016 0.000 0.753 241 A CB -0.520 18.470 19.000 -0.018 0.000 0.826 241 A HN 0.292 nan 8.150 nan 0.000 0.469 242 T N 0.891 115.433 114.554 -0.020 0.000 2.779 242 T HA 0.357 4.705 4.350 -0.003 0.000 0.296 242 T C -0.520 174.169 174.700 -0.019 0.000 0.938 242 T CA -0.090 61.996 62.100 -0.022 0.000 1.119 242 T CB 0.318 69.172 68.868 -0.024 0.000 0.891 242 T HN 0.415 nan 8.240 nan 0.000 0.526 243 E N 4.230 124.419 120.200 -0.019 0.000 2.158 243 E HA 0.296 4.645 4.350 -0.003 0.000 0.271 243 E C -0.609 175.982 176.600 -0.016 0.000 0.911 243 E CA -0.767 55.623 56.400 -0.016 0.000 0.767 243 E CB 0.853 30.544 29.700 -0.015 0.000 1.120 243 E HN 0.667 nan 8.360 nan 0.000 0.405 244 Q N 3.007 122.798 119.800 -0.015 0.000 2.290 244 Q HA 0.403 4.742 4.340 -0.003 0.000 0.259 244 Q C -0.771 175.222 176.000 -0.012 0.000 0.941 244 Q CA -0.896 54.899 55.803 -0.014 0.000 0.912 244 Q CB 1.303 30.032 28.738 -0.014 0.000 1.244 244 Q HN 0.376 nan 8.270 nan 0.000 0.441 245 D N 2.246 122.639 120.400 -0.011 0.000 2.362 245 D HA 0.047 4.685 4.640 -0.003 0.000 0.238 245 D C -0.281 176.013 176.300 -0.009 0.000 1.212 245 D CA 0.152 54.146 54.000 -0.009 0.000 0.902 245 D CB 0.687 41.482 40.800 -0.009 0.000 1.180 245 D HN 0.346 nan 8.370 nan 0.000 0.445 246 K N 0.144 120.540 120.400 -0.007 0.000 2.144 246 K HA 0.324 4.643 4.320 -0.003 0.000 0.270 246 K C 0.093 176.690 176.600 -0.006 0.000 1.005 246 K CA -0.706 55.578 56.287 -0.006 0.000 0.932 246 K CB 0.745 33.243 32.500 -0.003 0.000 1.021 246 K HN 0.184 nan 8.250 nan 0.000 0.462 247 T N 3.795 118.346 114.554 -0.005 0.000 2.923 247 T HA -0.024 4.324 4.350 -0.003 0.000 0.304 247 T C -1.129 173.569 174.700 -0.004 0.000 1.044 247 T CA -1.135 60.961 62.100 -0.007 0.000 1.141 247 T CB 0.322 69.191 68.868 0.001 0.000 1.023 247 T HN 0.500 nan 8.240 nan 0.000 0.533 248 P HA -0.115 nan 4.420 nan 0.000 0.217 248 P C 1.624 178.932 177.300 0.014 0.000 1.148 248 P CA 0.974 64.068 63.100 -0.010 0.000 0.828 248 P CB 0.141 31.816 31.700 -0.042 0.000 0.783 249 L N -0.758 120.481 121.223 0.026 0.000 2.179 249 L HA -0.090 4.249 4.340 -0.003 0.000 0.208 249 L C 2.685 179.575 176.870 0.033 0.000 1.096 249 L CA 1.218 56.091 54.840 0.055 0.000 0.779 249 L CB -0.480 41.634 42.059 0.092 0.000 0.922 249 L HN -0.111 nan 8.230 nan 0.000 0.443 250 Q N -0.729 119.085 119.800 0.022 0.000 2.119 250 Q HA -0.224 4.114 4.340 -0.003 0.000 0.201 250 Q C 2.125 178.137 176.000 0.020 0.000 0.972 250 Q CA 1.464 57.276 55.803 0.015 0.000 0.847 250 Q CB -0.037 28.706 28.738 0.008 0.000 0.903 250 Q HN 0.638 nan 8.270 nan 0.000 0.433 251 Q N 0.866 120.678 119.800 0.020 0.000 2.016 251 Q HA -0.147 4.192 4.340 -0.003 0.000 0.200 251 Q C 1.955 177.979 176.000 0.041 0.000 0.978 251 Q CA 1.118 56.935 55.803 0.024 0.000 0.833 251 Q CB -0.025 28.724 28.738 0.019 0.000 0.895 251 Q HN 0.216 nan 8.270 nan 0.000 0.427 252 K N 0.704 121.133 120.400 0.047 0.000 2.160 252 K HA -0.174 4.144 4.320 -0.003 0.000 0.206 252 K C 2.045 178.701 176.600 0.093 0.000 1.047 252 K CA 0.955 57.284 56.287 0.069 0.000 0.930 252 K CB -0.203 32.334 32.500 0.063 0.000 0.720 252 K HN 0.190 nan 8.250 nan 0.000 0.450 253 L N 0.714 121.975 121.223 0.064 0.000 2.217 253 L HA -0.165 4.173 4.340 -0.003 0.000 0.211 253 L C 1.411 178.348 176.870 0.111 0.000 1.107 253 L CA 1.446 56.332 54.840 0.076 0.000 0.783 253 L CB 0.002 42.076 42.059 0.024 0.000 0.919 253 L HN 0.147 nan 8.230 nan 0.000 0.442 254 D N -0.462 119.980 120.400 0.071 0.000 2.194 254 D HA -0.196 4.442 4.640 -0.003 0.000 0.204 254 D C 1.811 178.146 176.300 0.058 0.000 0.964 254 D CA 1.010 55.041 54.000 0.052 0.000 0.846 254 D CB 0.150 40.965 40.800 0.026 0.000 0.962 254 D HN 0.523 nan 8.370 nan 0.000 0.490 255 E N 0.325 120.570 120.200 0.074 0.000 2.051 255 E HA -0.201 4.147 4.350 -0.003 0.000 0.192 255 E C 2.010 178.656 176.600 0.078 0.000 0.991 255 E CA 0.721 57.162 56.400 0.067 0.000 0.799 255 E CB -0.242 29.506 29.700 0.080 0.000 0.748 255 E HN 0.199 nan 8.360 nan 0.000 0.449 256 F N 0.998 120.944 119.950 -0.008 0.000 2.293 256 F HA 0.013 4.539 4.527 -0.003 0.000 0.300 256 F C 1.866 177.652 175.800 -0.023 0.000 1.086 256 F CA 1.643 59.633 58.000 -0.016 0.000 1.375 256 F CB -0.412 38.573 39.000 -0.025 0.000 1.045 256 F HN 0.081 nan 8.300 nan 0.000 0.516 257 G N -0.024 108.808 108.800 0.055 0.000 2.434 257 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.214 257 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.214 257 G C 1.480 176.300 174.900 -0.133 0.000 1.202 257 G CA 0.866 45.947 45.100 -0.032 0.000 0.788 257 G HN 0.421 nan 8.290 nan 0.000 0.539 258 E N -0.145 120.005 120.200 -0.083 0.000 2.065 258 E HA -0.210 4.138 4.350 -0.003 0.000 0.201 258 E C 2.796 179.319 176.600 -0.127 0.000 1.016 258 E CA 1.348 57.698 56.400 -0.083 0.000 0.818 258 E CB -0.063 29.608 29.700 -0.048 0.000 0.749 258 E HN 0.256 nan 8.360 nan 0.000 0.453 259 Q N 0.333 120.033 119.800 -0.167 0.000 2.002 259 Q HA -0.175 4.163 4.340 -0.003 0.000 0.204 259 Q C 2.389 178.223 176.000 -0.276 0.000 0.988 259 Q CA 0.974 56.660 55.803 -0.196 0.000 0.843 259 Q CB -0.752 27.871 28.738 -0.191 0.000 0.908 259 Q HN 0.239 nan 8.270 nan 0.000 0.420 260 L N 0.800 121.730 121.223 -0.489 0.000 2.021 260 L HA -0.241 4.097 4.340 -0.003 0.000 0.215 260 L C 2.432 179.160 176.870 -0.237 0.000 1.074 260 L CA 2.401 56.966 54.840 -0.458 0.000 0.760 260 L CB -1.147 40.543 42.059 -0.615 0.000 0.889 260 L HN 0.222 nan 8.230 nan 0.000 0.433 261 S N -1.111 114.473 115.700 -0.193 0.000 2.380 261 S HA -0.292 4.176 4.470 -0.003 0.000 0.229 261 S C 2.041 176.580 174.600 -0.102 0.000 1.043 261 S CA 1.955 60.082 58.200 -0.121 0.000 1.038 261 S CB -0.223 62.918 63.200 -0.098 0.000 0.872 261 S HN 0.581 nan 8.310 nan 0.000 0.456 262 K N 0.155 120.492 120.400 -0.105 0.000 1.973 262 K HA -0.042 4.276 4.320 -0.003 0.000 0.212 262 K C 2.117 178.670 176.600 -0.078 0.000 1.047 262 K CA 1.574 57.813 56.287 -0.080 0.000 0.937 262 K CB -0.796 31.661 32.500 -0.071 0.000 0.721 262 K HN 0.215 nan 8.250 nan 0.000 0.440 263 V N 2.321 122.179 119.914 -0.092 0.000 2.222 263 V HA -0.344 3.774 4.120 -0.003 0.000 0.252 263 V C 2.286 178.332 176.094 -0.080 0.000 1.060 263 V CA 2.114 64.363 62.300 -0.086 0.000 1.027 263 V CB -0.527 31.235 31.823 -0.101 0.000 0.644 263 V HN 0.323 nan 8.190 nan 0.000 0.448 264 I N -0.273 120.246 120.570 -0.084 0.000 2.143 264 I HA -0.353 3.815 4.170 -0.003 0.000 0.245 264 I C 2.721 178.808 176.117 -0.049 0.000 1.068 264 I CA 2.132 63.395 61.300 -0.061 0.000 1.326 264 I CB -0.614 37.348 38.000 -0.063 0.000 1.028 264 I HN 0.359 nan 8.210 nan 0.000 0.412 265 S N 0.788 116.454 115.700 -0.057 0.000 2.359 265 S HA -0.162 4.306 4.470 -0.003 0.000 0.224 265 S C 2.022 176.600 174.600 -0.037 0.000 1.035 265 S CA 1.462 59.631 58.200 -0.052 0.000 1.018 265 S CB -0.343 62.822 63.200 -0.058 0.000 0.876 265 S HN 0.310 nan 8.310 nan 0.000 0.448 266 L N 1.000 122.201 121.223 -0.038 0.000 2.042 266 L HA -0.111 4.227 4.340 -0.003 0.000 0.210 266 L C 2.386 179.251 176.870 -0.008 0.000 1.076 266 L CA 1.200 56.026 54.840 -0.023 0.000 0.749 266 L CB -0.573 41.465 42.059 -0.035 0.000 0.893 266 L HN 0.362 nan 8.230 nan 0.000 0.432 267 I N -0.794 119.757 120.570 -0.031 0.000 2.163 267 I HA -0.396 3.772 4.170 -0.003 0.000 0.243 267 I C 2.754 178.929 176.117 0.096 0.000 1.085 267 I CA 1.405 62.698 61.300 -0.012 0.000 1.347 267 I CB -0.416 37.566 38.000 -0.031 0.000 1.044 267 I HN 0.434 nan 8.210 nan 0.000 0.408 268 C N 0.174 119.507 119.300 0.056 0.000 2.388 268 C HA -0.177 4.281 4.460 -0.003 0.000 0.277 268 C C 2.884 177.939 174.990 0.108 0.000 1.210 268 C CA 0.957 60.010 59.018 0.058 0.000 1.743 268 C CB -0.834 26.898 27.740 -0.014 0.000 2.047 268 C HN 0.374 nan 8.230 nan 0.000 0.458 269 V N 1.332 121.292 119.914 0.076 0.000 2.324 269 V HA -0.274 3.844 4.120 -0.003 0.000 0.250 269 V C 2.642 178.894 176.094 0.263 0.000 1.060 269 V CA 2.347 64.731 62.300 0.139 0.000 1.042 269 V CB -1.369 30.494 31.823 0.066 0.000 0.650 269 V HN 0.654 nan 8.190 nan 0.000 0.450 270 A N -0.182 122.757 122.820 0.198 0.000 1.851 270 A HA -0.185 4.133 4.320 -0.003 0.000 0.216 270 A C 2.410 180.160 177.584 0.277 0.000 1.195 270 A CA 2.229 54.404 52.037 0.230 0.000 0.622 270 A CB -0.899 18.224 19.000 0.205 0.000 0.831 270 A HN 0.315 nan 8.150 nan 0.000 0.444 271 V N -1.864 118.236 119.914 0.311 0.000 2.324 271 V HA -0.305 3.813 4.120 -0.003 0.000 0.250 271 V C 2.201 178.368 176.094 0.122 0.000 1.060 271 V CA 2.258 64.688 62.300 0.217 0.000 1.042 271 V CB -0.985 30.951 31.823 0.188 0.000 0.650 271 V HN 0.860 nan 8.190 nan 0.000 0.450 272 W N 0.316 121.593 121.300 -0.038 0.000 2.354 272 W HA -0.149 4.509 4.660 -0.003 0.000 0.315 272 W C 2.213 178.738 176.519 0.010 0.000 1.206 272 W CA 1.645 58.947 57.345 -0.071 0.000 1.290 272 W CB -0.370 29.059 29.460 -0.052 0.000 1.152 272 W HN 0.138 nan 8.180 nan 0.000 0.489 273 L N 0.505 121.801 121.223 0.121 0.000 2.043 273 L HA -0.320 4.019 4.340 -0.003 0.000 0.212 273 L C 2.375 179.164 176.870 -0.135 0.000 1.075 273 L CA 1.310 56.093 54.840 -0.095 0.000 0.752 273 L CB -1.135 41.004 42.059 0.133 0.000 0.891 273 L HN 0.063 nan 8.230 nan 0.000 0.432 274 I N 0.177 120.729 120.570 -0.031 0.000 2.076 274 I HA -0.266 3.903 4.170 -0.003 0.000 0.237 274 I C 1.140 177.213 176.117 -0.074 0.000 1.059 274 I CA 1.507 62.793 61.300 -0.023 0.000 1.317 274 I CB -1.582 36.419 38.000 0.003 0.000 1.037 274 I HN 0.274 nan 8.210 nan 0.000 0.398 275 N N 1.207 119.829 118.700 -0.130 0.000 2.926 275 N HA 0.004 4.742 4.740 -0.003 0.000 0.284 275 N C 1.168 176.558 175.510 -0.200 0.000 1.303 275 N CA 0.031 52.983 53.050 -0.164 0.000 1.062 275 N CB -0.326 37.947 38.487 -0.358 0.000 1.389 275 N HN 0.280 nan 8.380 nan 0.000 0.538 276 I N -0.329 120.139 120.570 -0.170 0.000 2.584 276 I HA 0.078 4.246 4.170 -0.003 0.000 0.255 276 I C 2.034 178.196 176.117 0.075 0.000 1.145 276 I CA 0.603 61.799 61.300 -0.173 0.000 1.462 276 I CB -0.439 37.409 38.000 -0.253 0.000 1.102 276 I HN 0.282 nan 8.210 nan 0.000 0.433 277 G N -0.853 108.005 108.800 0.096 0.000 2.501 277 G HA2 -0.302 3.656 3.960 -0.003 0.000 0.220 277 G HA3 -0.302 3.656 3.960 -0.003 0.000 0.220 277 G C 1.285 176.253 174.900 0.114 0.000 1.114 277 G CA 0.891 46.053 45.100 0.104 0.000 0.757 277 G HN 0.481 nan 8.290 nan 0.000 0.559 278 H N -1.049 118.006 119.070 -0.024 0.000 2.543 278 H HA 0.040 4.594 4.556 -0.003 0.000 0.286 278 H C 1.491 176.741 175.328 -0.129 0.000 1.037 278 H CA 0.430 56.428 56.048 -0.082 0.000 1.250 278 H CB -0.246 29.443 29.762 -0.122 0.000 1.373 278 H HN 0.464 nan 8.280 nan 0.000 0.580 279 F N -0.090 119.885 119.950 0.041 0.000 2.811 279 F HA 0.038 4.563 4.527 -0.003 0.000 0.301 279 F C 0.695 176.494 175.800 -0.002 0.000 1.151 279 F CA 0.330 58.341 58.000 0.018 0.000 1.412 279 F CB 0.342 39.342 39.000 0.000 0.000 1.113 279 F HN 0.069 nan 8.300 nan 0.000 0.579 280 N N 0.234 119.000 118.700 0.109 0.000 2.535 280 N HA 0.091 4.830 4.740 -0.003 0.000 0.294 280 N C -1.009 174.492 175.510 -0.015 0.000 1.408 280 N CA 0.044 53.125 53.050 0.052 0.000 0.927 280 N CB 0.161 38.676 38.487 0.048 0.000 1.276 280 N HN 0.038 nan 8.380 nan 0.000 0.505 281 D N 0.391 120.757 120.400 -0.055 0.000 2.340 281 D HA 0.442 5.081 4.640 -0.003 0.000 0.243 281 D C -2.130 174.104 176.300 -0.110 0.000 0.988 281 D CA -1.376 52.560 54.000 -0.105 0.000 0.959 281 D CB 1.107 41.801 40.800 -0.177 0.000 1.226 281 D HN -0.066 nan 8.370 nan 0.000 0.509 282 P HA 0.060 nan 4.420 nan 0.000 0.265 282 P C -0.532 176.578 177.300 -0.316 0.000 1.193 282 P CA -0.319 62.735 63.100 -0.077 0.000 0.765 282 P CB 0.422 32.220 31.700 0.163 0.000 0.823 283 V N 1.698 121.526 119.914 -0.143 0.000 2.370 283 V HA 0.500 4.618 4.120 -0.003 0.000 0.257 283 V C -0.393 175.639 176.094 -0.102 0.000 1.064 283 V CA -0.309 61.894 62.300 -0.163 0.000 0.975 283 V CB -0.989 30.800 31.823 -0.057 0.000 1.067 283 V HN 0.833 nan 8.190 nan 0.000 0.485 284 H N 1.807 120.848 119.070 -0.047 0.000 3.136 284 H HA 0.490 5.045 4.556 -0.003 0.000 0.313 284 H C -0.122 175.182 175.328 -0.039 0.000 1.103 284 H CA -0.344 55.667 56.048 -0.062 0.000 1.437 284 H CB 0.470 30.209 29.762 -0.038 0.000 2.063 284 H HN 0.682 nan 8.280 nan 0.000 0.495 285 G N 1.909 110.704 108.800 -0.009 0.000 2.764 285 G HA2 0.369 4.327 3.960 -0.003 0.000 0.278 285 G HA3 0.369 4.327 3.960 -0.003 0.000 0.278 285 G C 0.515 175.696 174.900 0.468 0.000 0.686 285 G CA -0.011 45.148 45.100 0.099 0.000 2.105 285 G HN 1.001 nan 8.290 nan 0.000 0.562 286 G N 0.922 109.941 108.800 0.364 0.000 2.977 286 G HA2 0.453 4.411 3.960 -0.003 0.000 0.306 286 G HA3 0.453 4.411 3.960 -0.003 0.000 0.306 286 G C 0.770 175.778 174.900 0.179 0.000 0.885 286 G CA 0.404 45.688 45.100 0.306 0.000 1.649 286 G HN 1.723 nan 8.290 nan 0.000 0.514 287 S N 0.451 116.257 115.700 0.178 0.000 3.931 287 S HA -0.166 4.302 4.470 -0.003 0.000 0.318 287 S C 1.143 175.749 174.600 0.011 0.000 1.098 287 S CA 0.733 58.927 58.200 -0.009 0.000 0.900 287 S CB -2.543 60.615 63.200 -0.070 0.000 0.886 287 S HN 1.269 nan 8.310 nan 0.000 0.513 288 W N 0.141 121.429 121.300 -0.020 0.000 2.374 288 W HA 0.092 4.750 4.660 -0.003 0.000 0.288 288 W C 1.651 178.165 176.519 -0.009 0.000 1.218 288 W CA 0.827 58.162 57.345 -0.016 0.000 1.245 288 W CB -1.115 28.341 29.460 -0.008 0.000 1.126 288 W HN 0.575 nan 8.180 nan 0.000 0.545 289 I N 1.120 121.329 120.570 -0.602 0.000 2.867 289 I HA 0.035 4.203 4.170 -0.003 0.000 0.265 289 I C 2.659 178.596 176.117 -0.301 0.000 1.162 289 I CA 0.943 61.895 61.300 -0.580 0.000 1.471 289 I CB -0.385 37.020 38.000 -0.992 0.000 1.123 289 I HN -0.278 nan 8.210 nan 0.000 0.440 290 R N 0.445 120.784 120.500 -0.267 0.000 2.280 290 R HA 0.105 4.443 4.340 -0.003 0.000 0.207 290 R C 1.949 178.172 176.300 -0.129 0.000 1.043 290 R CA 1.112 57.115 56.100 -0.162 0.000 1.006 290 R CB -0.709 29.497 30.300 -0.157 0.000 0.885 290 R HN 0.438 nan 8.270 nan 0.000 0.467 291 G N -1.293 107.433 108.800 -0.122 0.000 2.545 291 G HA2 -0.004 3.955 3.960 -0.003 0.000 0.212 291 G HA3 -0.004 3.955 3.960 -0.003 0.000 0.212 291 G C 1.353 176.225 174.900 -0.046 0.000 1.144 291 G CA 0.369 45.380 45.100 -0.149 0.000 0.813 291 G HN 0.350 nan 8.290 nan 0.000 0.531 292 A N 1.057 123.893 122.820 0.027 0.000 1.929 292 A HA 0.163 4.481 4.320 -0.003 0.000 0.216 292 A C 2.267 179.849 177.584 -0.004 0.000 1.176 292 A CA 0.825 52.914 52.037 0.086 0.000 0.628 292 A CB -0.239 18.718 19.000 -0.072 0.000 0.816 292 A HN 0.237 nan 8.150 nan 0.000 0.444 293 I N -1.200 119.327 120.570 -0.071 0.000 2.208 293 I HA -0.244 3.925 4.170 -0.003 0.000 0.245 293 I C 2.340 178.523 176.117 0.109 0.000 1.097 293 I CA 1.557 62.840 61.300 -0.029 0.000 1.363 293 I CB -1.447 36.550 38.000 -0.006 0.000 1.051 293 I HN 0.576 nan 8.210 nan 0.000 0.413 294 Y N 1.423 121.687 120.300 -0.061 0.000 2.053 294 Y HA -0.356 4.192 4.550 -0.003 0.000 0.277 294 Y C 2.741 178.648 175.900 0.011 0.000 1.159 294 Y CA 2.042 60.085 58.100 -0.096 0.000 1.125 294 Y CB -0.760 37.510 38.460 -0.317 0.000 0.969 294 Y HN 0.072 nan 8.280 nan 0.000 0.492 295 Y N -0.967 119.539 120.300 0.342 0.000 2.128 295 Y HA -0.244 4.305 4.550 -0.003 0.000 0.284 295 Y C 2.278 178.303 175.900 0.209 0.000 1.154 295 Y CA 1.553 59.795 58.100 0.238 0.000 1.149 295 Y CB -1.354 37.310 38.460 0.341 0.000 0.976 295 Y HN 0.150 nan 8.280 nan 0.000 0.505 296 F N 0.890 120.942 119.950 0.170 0.000 2.154 296 F HA -0.230 4.295 4.527 -0.003 0.000 0.301 296 F C 2.217 178.035 175.800 0.031 0.000 1.087 296 F CA 1.734 59.785 58.000 0.085 0.000 1.274 296 F CB -0.808 38.227 39.000 0.059 0.000 1.009 296 F HN 0.150 nan 8.300 nan 0.000 0.485 297 K N -0.222 120.289 120.400 0.184 0.000 2.487 297 K HA 0.033 4.351 4.320 -0.003 0.000 0.192 297 K C 1.599 178.190 176.600 -0.015 0.000 1.027 297 K CA 0.889 57.215 56.287 0.065 0.000 1.054 297 K CB -0.161 32.363 32.500 0.040 0.000 0.824 297 K HN 0.312 nan 8.250 nan 0.000 0.510 298 I N 0.953 121.504 120.570 -0.032 0.000 3.081 298 I HA -0.018 4.150 4.170 -0.003 0.000 0.274 298 I C 2.320 178.443 176.117 0.010 0.000 1.178 298 I CA 0.435 61.705 61.300 -0.051 0.000 1.460 298 I CB -0.032 37.920 38.000 -0.079 0.000 1.137 298 I HN 0.241 nan 8.210 nan 0.000 0.443 299 A N 1.478 124.309 122.820 0.018 0.000 1.845 299 A HA -0.203 4.115 4.320 -0.003 0.000 0.215 299 A C 2.368 179.942 177.584 -0.015 0.000 1.195 299 A CA 2.387 54.410 52.037 -0.024 0.000 0.616 299 A CB -1.161 17.770 19.000 -0.115 0.000 0.832 299 A HN 0.293 nan 8.150 nan 0.000 0.443 300 V N -1.900 118.014 119.914 -0.000 0.000 2.324 300 V HA -0.181 3.937 4.120 -0.003 0.000 0.250 300 V C 2.565 178.668 176.094 0.014 0.000 1.060 300 V CA 2.164 64.470 62.300 0.011 0.000 1.042 300 V CB -1.755 30.088 31.823 0.033 0.000 0.650 300 V HN 0.581 nan 8.190 nan 0.000 0.450 301 A N 0.957 123.787 122.820 0.016 0.000 1.858 301 A HA -0.126 4.192 4.320 -0.003 0.000 0.216 301 A C 2.211 179.809 177.584 0.023 0.000 1.190 301 A CA 2.064 54.113 52.037 0.020 0.000 0.617 301 A CB -0.846 18.162 19.000 0.014 0.000 0.827 301 A HN 0.656 nan 8.150 nan 0.000 0.443 302 L N -0.126 121.111 121.223 0.023 0.000 2.089 302 L HA -0.195 4.143 4.340 -0.003 0.000 0.213 302 L C 2.559 179.438 176.870 0.015 0.000 1.079 302 L CA 2.355 57.213 54.840 0.029 0.000 0.758 302 L CB -0.678 41.401 42.059 0.033 0.000 0.891 302 L HN 0.378 nan 8.230 nan 0.000 0.433 303 A N -0.713 122.110 122.820 0.005 0.000 1.841 303 A HA -0.141 4.177 4.320 -0.003 0.000 0.214 303 A C 2.278 179.866 177.584 0.006 0.000 1.195 303 A CA 2.127 54.163 52.037 -0.002 0.000 0.611 303 A CB -1.405 17.589 19.000 -0.009 0.000 0.835 303 A HN 0.570 nan 8.150 nan 0.000 0.443 304 V N -2.471 117.450 119.914 0.012 0.000 3.026 304 V HA 0.074 4.193 4.120 -0.003 0.000 0.265 304 V C 2.123 178.227 176.094 0.016 0.000 1.121 304 V CA 1.877 64.186 62.300 0.014 0.000 1.142 304 V CB -0.971 30.866 31.823 0.024 0.000 0.730 304 V HN 0.527 nan 8.190 nan 0.000 0.503 305 A N 0.109 122.941 122.820 0.019 0.000 1.984 305 A HA 0.508 4.827 4.320 -0.003 0.000 0.214 305 A C 2.357 179.950 177.584 0.016 0.000 1.173 305 A CA 1.273 53.322 52.037 0.019 0.000 0.673 305 A CB -0.532 18.485 19.000 0.029 0.000 0.830 305 A HN 0.921 nan 8.150 nan 0.000 0.453 306 A N -0.470 122.362 122.820 0.021 0.000 2.030 306 A HA 0.368 4.686 4.320 -0.003 0.000 0.215 306 A C 0.854 178.487 177.584 0.082 0.000 1.164 306 A CA 0.208 52.267 52.037 0.036 0.000 0.697 306 A CB -0.210 18.796 19.000 0.010 0.000 0.827 306 A HN 0.408 nan 8.150 nan 0.000 0.457 307 I N 0.722 121.325 120.570 0.054 0.000 2.365 307 I HA 0.243 4.411 4.170 -0.003 0.000 0.291 307 I C -2.568 173.550 176.117 0.002 0.000 1.004 307 I CA -2.214 59.125 61.300 0.065 0.000 1.311 307 I CB 1.710 39.730 38.000 0.034 0.000 1.401 307 I HN -0.040 nan 8.210 nan 0.000 0.491 308 P HA 0.184 nan 4.420 nan 0.000 0.247 308 P C -0.201 177.043 177.300 -0.093 0.000 1.756 308 P CA -0.288 62.751 63.100 -0.101 0.000 1.117 308 P CB 0.283 31.877 31.700 -0.176 0.000 1.869 309 E N 0.930 121.086 120.200 -0.073 0.000 2.396 309 E HA -0.105 4.243 4.350 -0.003 0.000 0.200 309 E C 1.974 178.518 176.600 -0.094 0.000 1.023 309 E CA 1.258 57.615 56.400 -0.073 0.000 0.857 309 E CB -0.471 29.197 29.700 -0.054 0.000 0.775 309 E HN 0.439 nan 8.360 nan 0.000 0.525 310 G N -0.521 108.210 108.800 -0.116 0.000 3.159 310 G HA2 -0.002 3.956 3.960 -0.003 0.000 0.232 310 G HA3 -0.002 3.956 3.960 -0.003 0.000 0.232 310 G C 1.155 175.962 174.900 -0.154 0.000 1.116 310 G CA -0.310 44.708 45.100 -0.137 0.000 0.767 310 G HN 0.103 nan 8.290 nan 0.000 0.547 311 L N 1.679 122.816 121.223 -0.143 0.000 2.012 311 L HA 0.098 4.436 4.340 -0.003 0.000 0.210 311 L C -0.180 176.628 176.870 -0.103 0.000 1.073 311 L CA 1.891 56.652 54.840 -0.131 0.000 0.748 311 L CB -0.839 41.143 42.059 -0.128 0.000 0.891 311 L HN 0.025 nan 8.230 nan 0.000 0.431 312 P HA -0.071 nan 4.420 nan 0.000 0.219 312 P C 1.472 178.726 177.300 -0.078 0.000 1.150 312 P CA 1.622 64.683 63.100 -0.066 0.000 0.814 312 P CB -0.094 31.568 31.700 -0.064 0.000 0.787 313 A N -0.623 122.134 122.820 -0.105 0.000 1.898 313 A HA -0.131 4.187 4.320 -0.003 0.000 0.216 313 A C 2.279 179.771 177.584 -0.154 0.000 1.181 313 A CA 1.647 53.615 52.037 -0.115 0.000 0.620 313 A CB -1.615 17.311 19.000 -0.124 0.000 0.819 313 A HN 0.015 nan 8.150 nan 0.000 0.442 314 V N 0.393 120.175 119.914 -0.221 0.000 2.307 314 V HA -0.235 3.883 4.120 -0.003 0.000 0.245 314 V C 2.431 178.329 176.094 -0.327 0.000 1.045 314 V CA 1.869 63.942 62.300 -0.377 0.000 1.024 314 V CB -0.676 30.779 31.823 -0.614 0.000 0.651 314 V HN 0.558 nan 8.190 nan 0.000 0.449 315 I N 0.056 120.546 120.570 -0.132 0.000 2.142 315 I HA -0.260 3.909 4.170 -0.003 0.000 0.240 315 I C 2.581 178.711 176.117 0.022 0.000 1.078 315 I CA 2.011 63.357 61.300 0.076 0.000 1.343 315 I CB -0.975 37.093 38.000 0.114 0.000 1.046 315 I HN 0.288 nan 8.210 nan 0.000 0.405 316 T N 0.256 114.801 114.554 -0.015 0.000 2.737 316 T HA -0.209 4.139 4.350 -0.003 0.000 0.269 316 T C 1.881 176.570 174.700 -0.018 0.000 1.040 316 T CA 2.239 64.335 62.100 -0.007 0.000 1.142 316 T CB -0.534 68.327 68.868 -0.012 0.000 0.861 316 T HN 0.611 nan 8.240 nan 0.000 0.456 317 T N -1.306 113.211 114.554 -0.062 0.000 2.985 317 T HA -0.032 4.316 4.350 -0.003 0.000 0.266 317 T C 2.237 176.906 174.700 -0.052 0.000 1.076 317 T CA 0.850 62.911 62.100 -0.065 0.000 1.135 317 T CB -0.991 67.811 68.868 -0.110 0.000 0.890 317 T HN 0.466 nan 8.240 nan 0.000 0.480 318 C N 0.503 119.770 119.300 -0.055 0.000 2.467 318 C HA 0.331 4.789 4.460 -0.003 0.000 0.279 318 C C 2.581 177.607 174.990 0.060 0.000 1.347 318 C CA -0.068 58.953 59.018 0.005 0.000 1.748 318 C CB -1.635 26.176 27.740 0.118 0.000 1.977 318 C HN 0.634 nan 8.230 nan 0.000 0.501 319 L N 1.218 122.475 121.223 0.056 0.000 2.027 319 L HA -0.039 4.299 4.340 -0.003 0.000 0.206 319 L C 3.046 179.940 176.870 0.040 0.000 1.074 319 L CA 1.665 56.537 54.840 0.053 0.000 0.745 319 L CB -0.841 41.247 42.059 0.048 0.000 0.898 319 L HN 0.372 nan 8.230 nan 0.000 0.433 320 A N 0.138 122.977 122.820 0.031 0.000 1.940 320 A HA -0.185 4.133 4.320 -0.003 0.000 0.219 320 A C 2.255 179.856 177.584 0.029 0.000 1.176 320 A CA 1.548 53.602 52.037 0.028 0.000 0.631 320 A CB -0.709 18.306 19.000 0.024 0.000 0.814 320 A HN 0.353 nan 8.150 nan 0.000 0.446 321 L N -1.018 120.228 121.223 0.039 0.000 1.988 321 L HA -0.113 4.225 4.340 -0.003 0.000 0.207 321 L C 2.922 179.817 176.870 0.042 0.000 1.071 321 L CA 1.314 56.184 54.840 0.049 0.000 0.744 321 L CB -1.212 40.917 42.059 0.117 0.000 0.893 321 L HN 0.478 nan 8.230 nan 0.000 0.433 322 G N -0.876 107.961 108.800 0.061 0.000 2.475 322 G HA2 -0.269 3.689 3.960 -0.003 0.000 0.220 322 G HA3 -0.269 3.689 3.960 -0.003 0.000 0.220 322 G C 1.561 176.475 174.900 0.023 0.000 1.125 322 G CA 1.396 46.523 45.100 0.045 0.000 0.755 322 G HN 0.279 nan 8.290 nan 0.000 0.565 323 T N 0.612 115.180 114.554 0.024 0.000 2.635 323 T HA -0.144 4.204 4.350 -0.003 0.000 0.267 323 T C 2.543 177.248 174.700 0.007 0.000 1.040 323 T CA 1.504 63.613 62.100 0.015 0.000 1.156 323 T CB -0.175 68.704 68.868 0.017 0.000 0.863 323 T HN 0.344 nan 8.240 nan 0.000 0.430 324 R N 0.476 120.980 120.500 0.007 0.000 2.091 324 R HA -0.021 4.318 4.340 -0.003 0.000 0.238 324 R C 2.663 178.959 176.300 -0.007 0.000 1.136 324 R CA 1.267 57.367 56.100 -0.000 0.000 0.959 324 R CB -0.293 30.005 30.300 -0.004 0.000 0.856 324 R HN 0.273 nan 8.270 nan 0.000 0.437 325 R N 0.659 121.153 120.500 -0.009 0.000 2.139 325 R HA -0.133 4.205 4.340 -0.003 0.000 0.243 325 R C 2.045 178.339 176.300 -0.011 0.000 1.145 325 R CA 1.604 57.694 56.100 -0.016 0.000 0.976 325 R CB -0.018 30.273 30.300 -0.015 0.000 0.866 325 R HN 0.245 nan 8.270 nan 0.000 0.449 326 M N -1.109 118.487 119.600 -0.007 0.000 2.287 326 M HA 0.043 4.521 4.480 -0.003 0.000 0.266 326 M C 2.414 178.708 176.300 -0.011 0.000 1.079 326 M CA 1.096 56.390 55.300 -0.010 0.000 1.146 326 M CB -0.037 32.558 32.600 -0.008 0.000 1.374 326 M HN 0.203 nan 8.290 nan 0.000 0.435 327 A N 1.346 124.162 122.820 -0.008 0.000 1.927 327 A HA -0.223 4.095 4.320 -0.003 0.000 0.220 327 A C 2.105 179.684 177.584 -0.008 0.000 1.185 327 A CA 1.896 53.929 52.037 -0.007 0.000 0.639 327 A CB -0.684 18.314 19.000 -0.004 0.000 0.820 327 A HN 0.448 nan 8.150 nan 0.000 0.451 328 K N -0.381 120.014 120.400 -0.009 0.000 2.211 328 K HA -0.124 4.194 4.320 -0.003 0.000 0.204 328 K C 0.748 177.341 176.600 -0.010 0.000 1.047 328 K CA 1.422 57.703 56.287 -0.009 0.000 0.935 328 K CB -0.143 32.351 32.500 -0.011 0.000 0.728 328 K HN 0.416 nan 8.250 nan 0.000 0.452 329 K N 0.891 121.284 120.400 -0.013 0.000 2.811 329 K HA 0.111 4.429 4.320 -0.003 0.000 0.217 329 K C -0.598 175.991 176.600 -0.017 0.000 1.115 329 K CA -0.106 56.172 56.287 -0.015 0.000 1.179 329 K CB -0.041 32.448 32.500 -0.019 0.000 0.994 329 K HN 0.201 nan 8.250 nan 0.000 0.464 330 N N 0.058 118.750 118.700 -0.013 0.000 2.678 330 N HA -0.251 4.487 4.740 -0.003 0.000 0.250 330 N C -0.650 174.850 175.510 -0.017 0.000 1.136 330 N CA 0.585 53.627 53.050 -0.013 0.000 0.757 330 N CB -0.640 37.840 38.487 -0.011 0.000 1.135 330 N HN 0.341 nan 8.380 nan 0.000 0.565 331 A N 0.743 123.552 122.820 -0.019 0.000 2.316 331 A HA 0.588 4.906 4.320 -0.003 0.000 0.324 331 A C 0.060 177.635 177.584 -0.015 0.000 1.375 331 A CA -0.436 51.588 52.037 -0.022 0.000 0.882 331 A CB 0.505 19.487 19.000 -0.030 0.000 1.152 331 A HN 0.295 nan 8.150 nan 0.000 0.512 332 I N 4.016 124.578 120.570 -0.012 0.000 2.282 332 I HA 0.128 4.296 4.170 -0.003 0.000 0.290 332 I C -0.366 175.745 176.117 -0.009 0.000 1.090 332 I CA -0.471 60.824 61.300 -0.009 0.000 1.231 332 I CB 1.173 39.169 38.000 -0.007 0.000 1.434 332 I HN 0.287 nan 8.210 nan 0.000 0.487 333 V N 7.666 127.576 119.914 -0.007 0.000 2.439 333 V HA 0.143 4.261 4.120 -0.003 0.000 0.271 333 V C 1.393 177.483 176.094 -0.006 0.000 1.040 333 V CA -0.085 62.212 62.300 -0.006 0.000 1.002 333 V CB 0.645 32.467 31.823 -0.002 0.000 1.000 333 V HN 0.742 nan 8.190 nan 0.000 0.477 334 R N 2.556 123.050 120.500 -0.009 0.000 2.075 334 R HA 0.011 4.349 4.340 -0.003 0.000 0.226 334 R C 1.014 177.305 176.300 -0.014 0.000 1.114 334 R CA 1.124 57.216 56.100 -0.014 0.000 0.972 334 R CB 0.098 30.388 30.300 -0.017 0.000 0.869 334 R HN 0.726 nan 8.270 nan 0.000 0.437 335 S N 0.219 115.912 115.700 -0.011 0.000 2.456 335 S HA 0.248 4.717 4.470 -0.003 0.000 0.316 335 S C 1.086 175.686 174.600 -0.001 0.000 1.089 335 S CA -0.818 57.376 58.200 -0.010 0.000 1.101 335 S CB 1.422 64.614 63.200 -0.013 0.000 0.995 335 S HN 0.118 nan 8.310 nan 0.000 0.468 336 L N 2.806 124.032 121.223 0.006 0.000 2.012 336 L HA -0.004 4.334 4.340 -0.003 0.000 0.210 336 L C -0.678 176.203 176.870 0.018 0.000 1.073 336 L CA 1.255 56.104 54.840 0.016 0.000 0.748 336 L CB -2.163 39.909 42.059 0.023 0.000 0.891 336 L HN 0.464 nan 8.230 nan 0.000 0.431 337 P HA -0.165 nan 4.420 nan 0.000 0.218 337 P C 1.755 179.063 177.300 0.013 0.000 1.146 337 P CA 1.398 64.508 63.100 0.016 0.000 0.820 337 P CB 0.050 31.754 31.700 0.008 0.000 0.778 338 S N -1.155 114.548 115.700 0.005 0.000 2.423 338 S HA -0.082 4.387 4.470 -0.003 0.000 0.231 338 S C 1.800 176.400 174.600 -0.000 0.000 1.014 338 S CA 0.755 58.954 58.200 -0.002 0.000 0.965 338 S CB -0.995 62.200 63.200 -0.007 0.000 0.785 338 S HN -0.021 nan 8.310 nan 0.000 0.495 339 V N 1.857 121.777 119.914 0.010 0.000 2.764 339 V HA -0.216 3.902 4.120 -0.003 0.000 0.261 339 V C 2.294 178.399 176.094 0.018 0.000 1.108 339 V CA 1.821 64.130 62.300 0.015 0.000 1.129 339 V CB -0.623 31.217 31.823 0.029 0.000 0.701 339 V HN 0.542 nan 8.190 nan 0.000 0.495 340 E N 0.590 120.800 120.200 0.017 0.000 2.045 340 E HA -0.146 4.203 4.350 -0.003 0.000 0.190 340 E C 2.343 178.903 176.600 -0.066 0.000 0.968 340 E CA 1.442 57.840 56.400 -0.002 0.000 0.813 340 E CB -0.102 29.614 29.700 0.026 0.000 0.780 340 E HN 0.709 nan 8.360 nan 0.000 0.455 341 T N 1.625 116.148 114.554 -0.052 0.000 2.778 341 T HA -0.226 4.122 4.350 -0.003 0.000 0.269 341 T C 1.975 176.644 174.700 -0.052 0.000 1.050 341 T CA 1.285 63.350 62.100 -0.058 0.000 1.137 341 T CB -0.452 68.395 68.868 -0.036 0.000 0.860 341 T HN 0.110 nan 8.240 nan 0.000 0.468 342 L N 2.358 123.559 121.223 -0.038 0.000 2.012 342 L HA 0.134 4.472 4.340 -0.003 0.000 0.210 342 L C 2.711 179.555 176.870 -0.043 0.000 1.073 342 L CA 2.153 56.972 54.840 -0.034 0.000 0.748 342 L CB -1.309 40.735 42.059 -0.026 0.000 0.891 342 L HN 0.341 nan 8.230 nan 0.000 0.431 343 G N -1.557 107.214 108.800 -0.048 0.000 2.479 343 G HA2 -0.259 3.700 3.960 -0.003 0.000 0.220 343 G HA3 -0.259 3.700 3.960 -0.003 0.000 0.220 343 G C 1.202 176.057 174.900 -0.075 0.000 1.115 343 G CA 1.047 46.115 45.100 -0.054 0.000 0.757 343 G HN 0.582 nan 8.290 nan 0.000 0.560 344 C N 1.761 121.007 119.300 -0.090 0.000 2.693 344 C HA 0.271 4.730 4.460 -0.003 0.000 0.286 344 C C 1.517 176.479 174.990 -0.047 0.000 1.277 344 C CA -0.489 58.478 59.018 -0.084 0.000 1.705 344 C CB -1.509 26.163 27.740 -0.113 0.000 1.879 344 C HN 0.496 nan 8.230 nan 0.000 0.607 345 T N 0.205 114.737 114.554 -0.036 0.000 2.871 345 T HA 0.122 4.470 4.350 -0.003 0.000 0.296 345 T C 0.961 175.657 174.700 -0.007 0.000 0.998 345 T CA 0.761 62.851 62.100 -0.017 0.000 1.162 345 T CB 0.772 69.630 68.868 -0.017 0.000 0.947 345 T HN 0.569 nan 8.240 nan 0.000 0.536 346 S N 1.704 117.408 115.700 0.006 0.000 2.506 346 S HA 0.328 4.797 4.470 -0.003 0.000 0.219 346 S C 0.295 174.909 174.600 0.023 0.000 1.031 346 S CA -0.410 57.797 58.200 0.012 0.000 0.911 346 S CB 0.219 63.429 63.200 0.016 0.000 0.812 346 S HN 0.656 nan 8.310 nan 0.000 0.497 347 V N 2.276 122.209 119.914 0.032 0.000 2.623 347 V HA 0.536 4.654 4.120 -0.003 0.000 0.304 347 V C -1.027 175.100 176.094 0.054 0.000 1.054 347 V CA -0.758 61.570 62.300 0.046 0.000 0.882 347 V CB 1.706 33.564 31.823 0.057 0.000 1.002 347 V HN 0.372 nan 8.190 nan 0.000 0.424 348 I N 3.508 124.123 120.570 0.075 0.000 2.382 348 I HA 0.407 4.576 4.170 -0.003 0.000 0.286 348 I C -0.575 175.613 176.117 0.119 0.000 1.002 348 I CA -0.207 61.155 61.300 0.103 0.000 1.135 348 I CB 1.587 39.683 38.000 0.161 0.000 1.288 348 I HN 0.536 nan 8.210 nan 0.000 0.448 349 C N 4.563 123.921 119.300 0.096 0.000 2.239 349 C HA 0.501 4.959 4.460 -0.003 0.000 0.325 349 C C 0.701 175.744 174.990 0.089 0.000 1.231 349 C CA -0.374 58.693 59.018 0.083 0.000 1.652 349 C CB 0.215 27.989 27.740 0.057 0.000 2.284 349 C HN 0.780 nan 8.230 nan 0.000 0.499 350 S N 2.430 118.180 115.700 0.084 0.000 2.532 350 S HA 0.433 4.902 4.470 -0.003 0.000 0.301 350 S C -0.595 174.025 174.600 0.034 0.000 1.083 350 S CA -0.509 57.745 58.200 0.090 0.000 1.025 350 S CB 0.659 63.950 63.200 0.152 0.000 1.056 350 S HN 0.730 nan 8.310 nan 0.000 0.494 351 D N 2.627 123.051 120.400 0.039 0.000 2.357 351 D HA 0.149 4.787 4.640 -0.003 0.000 0.242 351 D C 0.838 177.140 176.300 0.004 0.000 1.153 351 D CA -0.237 53.776 54.000 0.021 0.000 0.918 351 D CB 0.941 41.755 40.800 0.023 0.000 1.181 351 D HN 0.555 nan 8.370 nan 0.000 0.435 352 K N 0.746 121.143 120.400 -0.004 0.000 2.035 352 K HA -0.082 4.236 4.320 -0.003 0.000 0.213 352 K C 1.374 177.970 176.600 -0.008 0.000 1.027 352 K CA 0.814 57.087 56.287 -0.023 0.000 0.950 352 K CB -0.634 31.855 32.500 -0.018 0.000 0.790 352 K HN 0.359 nan 8.250 nan 0.000 0.448 353 T N 0.709 115.265 114.554 0.003 0.000 2.176 353 T HA -0.274 4.074 4.350 -0.003 0.000 0.197 353 T C 1.824 176.533 174.700 0.016 0.000 1.683 353 T CA 2.401 64.507 62.100 0.011 0.000 1.094 353 T CB -1.424 67.453 68.868 0.016 0.000 0.846 353 T HN 0.641 nan 8.240 nan 0.000 0.404 354 G N 0.392 109.206 108.800 0.022 0.000 2.475 354 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.220 354 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.220 354 G C 1.743 176.664 174.900 0.035 0.000 1.125 354 G CA 2.037 47.154 45.100 0.028 0.000 0.755 354 G HN 0.741 nan 8.290 nan 0.000 0.565 355 T N -2.219 112.360 114.554 0.042 0.000 3.046 355 T HA 0.241 4.590 4.350 -0.003 0.000 0.242 355 T C 2.341 177.086 174.700 0.074 0.000 1.018 355 T CA 0.162 62.306 62.100 0.074 0.000 1.131 355 T CB -0.196 68.735 68.868 0.105 0.000 0.904 355 T HN 0.123 nan 8.240 nan 0.000 0.459 356 L N 1.994 123.223 121.223 0.009 0.000 2.270 356 L HA 0.225 4.564 4.340 -0.003 0.000 0.210 356 L C 1.607 178.457 176.870 -0.033 0.000 1.104 356 L CA 0.911 55.714 54.840 -0.061 0.000 0.804 356 L CB -0.252 41.712 42.059 -0.157 0.000 0.937 356 L HN 0.560 nan 8.230 nan 0.000 0.450 357 T N -6.273 108.273 114.554 -0.013 0.000 2.841 357 T HA 0.234 4.582 4.350 -0.003 0.000 0.276 357 T C 0.778 175.479 174.700 0.002 0.000 1.003 357 T CA -0.302 61.792 62.100 -0.009 0.000 0.995 357 T CB 1.559 70.421 68.868 -0.010 0.000 1.260 357 T HN -0.150 nan 8.240 nan 0.000 0.581 358 T N 0.515 115.066 114.554 -0.005 0.000 3.054 358 T HA 0.121 4.469 4.350 -0.003 0.000 0.259 358 T C 1.063 175.765 174.700 0.003 0.000 1.092 358 T CA 0.721 62.817 62.100 -0.007 0.000 1.121 358 T CB -0.628 68.221 68.868 -0.031 0.000 0.912 358 T HN 0.896 nan 8.240 nan 0.000 0.489 359 N N 1.060 119.766 118.700 0.011 0.000 2.800 359 N HA -0.190 4.548 4.740 -0.003 0.000 0.250 359 N C -0.536 175.010 175.510 0.060 0.000 1.078 359 N CA 0.562 53.635 53.050 0.037 0.000 0.804 359 N CB -1.543 36.970 38.487 0.043 0.000 1.135 359 N HN 0.451 nan 8.380 nan 0.000 0.565 360 Q N 0.546 120.341 119.800 -0.008 0.000 2.636 360 Q HA 0.192 4.530 4.340 -0.003 0.000 0.233 360 Q C 0.144 176.078 176.000 -0.110 0.000 1.143 360 Q CA -0.399 55.328 55.803 -0.126 0.000 0.969 360 Q CB 0.592 29.178 28.738 -0.253 0.000 1.185 360 Q HN 0.334 nan 8.270 nan 0.000 0.546 361 M N 1.423 121.082 119.600 0.098 0.000 2.240 361 M HA 0.136 4.615 4.480 -0.003 0.000 0.317 361 M C 0.486 176.861 176.300 0.124 0.000 1.087 361 M CA 0.642 56.020 55.300 0.131 0.000 1.176 361 M CB 0.465 33.181 32.600 0.193 0.000 1.439 361 M HN 0.498 nan 8.290 nan 0.000 0.452 362 S N 0.212 115.955 115.700 0.072 0.000 2.579 362 S HA 0.511 4.980 4.470 -0.003 0.000 0.290 362 S C -1.177 173.438 174.600 0.026 0.000 1.123 362 S CA -1.153 57.079 58.200 0.053 0.000 0.894 362 S CB 0.701 63.895 63.200 -0.011 0.000 1.095 362 S HN 0.372 nan 8.310 nan 0.000 0.450 363 V N 2.170 122.099 119.914 0.026 0.000 2.498 363 V HA 0.389 4.508 4.120 -0.003 0.000 0.279 363 V C 1.058 177.142 176.094 -0.017 0.000 1.048 363 V CA -0.363 61.943 62.300 0.010 0.000 0.967 363 V CB 0.523 32.355 31.823 0.016 0.000 0.988 363 V HN 1.371 nan 8.190 nan 0.000 0.473 364 C N 1.940 121.212 119.300 -0.045 0.000 3.512 364 C HA 0.562 5.020 4.460 -0.003 0.000 0.276 364 C C 0.187 175.101 174.990 -0.126 0.000 1.592 364 C CA -0.910 58.062 59.018 -0.076 0.000 1.803 364 C CB -1.294 26.391 27.740 -0.092 0.000 2.996 364 C HN 0.806 nan 8.230 nan 0.000 0.590 365 K N 0.934 121.262 120.400 -0.119 0.000 2.561 365 K HA 0.663 4.981 4.320 -0.003 0.000 0.254 365 K C -1.325 175.391 176.600 0.193 0.000 0.942 365 K CA -0.187 55.996 56.287 -0.173 0.000 0.818 365 K CB 2.078 34.011 32.500 -0.945 0.000 1.306 365 K HN 0.249 nan 8.250 nan 0.000 0.435 366 M N 2.325 122.173 119.600 0.412 0.000 2.691 366 M HA 0.640 5.118 4.480 -0.003 0.000 0.293 366 M C -1.363 175.388 176.300 0.752 0.000 1.259 366 M CA -1.122 54.452 55.300 0.455 0.000 0.827 366 M CB 2.109 34.794 32.600 0.143 0.000 1.753 366 M HN 0.595 nan 8.290 nan 0.000 0.465 367 F N 1.966 122.133 119.950 0.360 0.000 2.651 367 F HA 0.677 5.203 4.527 -0.003 0.000 0.327 367 F C -2.313 173.603 175.800 0.194 0.000 1.133 367 F CA -1.362 56.824 58.000 0.309 0.000 1.076 367 F CB 0.710 39.817 39.000 0.178 0.000 1.315 367 F HN 0.491 nan 8.300 nan 0.000 0.499 368 I N 4.469 125.292 120.570 0.422 0.000 2.545 368 I HA 0.658 4.826 4.170 -0.003 0.000 0.292 368 I C 0.024 176.361 176.117 0.367 0.000 1.040 368 I CA -1.413 60.007 61.300 0.199 0.000 1.068 368 I CB 2.200 40.253 38.000 0.089 0.000 1.251 368 I HN 0.837 nan 8.210 nan 0.000 0.424 369 I N 0.806 121.586 120.570 0.349 0.000 2.710 369 I HA 0.175 4.343 4.170 -0.003 0.000 0.286 369 I C 0.051 176.308 176.117 0.234 0.000 1.181 369 I CA 0.334 61.828 61.300 0.323 0.000 1.430 369 I CB 0.557 38.745 38.000 0.314 0.000 1.367 369 I HN 0.723 nan 8.210 nan 0.000 0.577 370 D N 3.412 123.936 120.400 0.206 0.000 2.379 370 D HA 0.157 4.795 4.640 -0.003 0.000 0.218 370 D C 0.071 176.453 176.300 0.138 0.000 1.006 370 D CA 0.557 54.664 54.000 0.180 0.000 0.893 370 D CB 0.564 41.468 40.800 0.173 0.000 1.019 370 D HN 0.662 nan 8.370 nan 0.000 0.503 371 K N -0.159 120.319 120.400 0.130 0.000 2.583 371 K HA 0.394 4.712 4.320 -0.003 0.000 0.260 371 K C -2.208 174.462 176.600 0.116 0.000 0.931 371 K CA -0.656 55.696 56.287 0.109 0.000 0.849 371 K CB 1.837 34.389 32.500 0.087 0.000 1.347 371 K HN -0.206 nan 8.250 nan 0.000 0.425 372 V N 3.162 123.143 119.914 0.111 0.000 2.483 372 V HA 0.347 4.465 4.120 -0.003 0.000 0.297 372 V C -1.192 174.970 176.094 0.113 0.000 1.027 372 V CA -0.481 61.889 62.300 0.116 0.000 0.855 372 V CB 1.696 33.585 31.823 0.110 0.000 0.995 372 V HN 0.793 nan 8.190 nan 0.000 0.424 373 D N 3.567 124.055 120.400 0.146 0.000 2.735 373 D HA 0.516 5.154 4.640 -0.003 0.000 0.291 373 D C 0.618 177.041 176.300 0.206 0.000 1.205 373 D CA 0.989 55.076 54.000 0.145 0.000 0.777 373 D CB 0.848 41.715 40.800 0.111 0.000 1.234 373 D HN 0.811 nan 8.370 nan 0.000 0.520 374 G N 2.239 111.122 108.800 0.139 0.000 2.728 374 G HA2 -0.347 3.612 3.960 -0.003 0.000 0.269 374 G HA3 -0.347 3.612 3.960 -0.003 0.000 0.269 374 G C 0.731 175.672 174.900 0.067 0.000 1.334 374 G CA 0.365 45.532 45.100 0.111 0.000 0.974 374 G HN 0.397 nan 8.290 nan 0.000 0.550 375 D N 0.774 121.180 120.400 0.010 0.000 2.305 375 D HA 0.313 4.951 4.640 -0.003 0.000 0.206 375 D C 1.055 177.266 176.300 -0.149 0.000 0.974 375 D CA 0.242 54.169 54.000 -0.121 0.000 0.871 375 D CB -0.000 40.650 40.800 -0.250 0.000 0.947 375 D HN 0.229 nan 8.370 nan 0.000 0.516 376 F N 0.557 120.512 119.950 0.009 0.000 2.506 376 F HA 0.269 4.794 4.527 -0.003 0.000 0.351 376 F C 0.734 176.543 175.800 0.016 0.000 1.136 376 F CA -0.374 57.632 58.000 0.009 0.000 1.298 376 F CB 0.699 39.706 39.000 0.012 0.000 1.145 376 F HN -0.086 nan 8.300 nan 0.000 0.593 377 C N 2.527 121.948 119.300 0.202 0.000 3.283 377 C HA 0.698 5.156 4.460 -0.003 0.000 0.359 377 C C -1.148 173.903 174.990 0.102 0.000 1.160 377 C CA -0.479 58.616 59.018 0.128 0.000 1.232 377 C CB 0.784 28.569 27.740 0.076 0.000 1.571 377 C HN 1.030 nan 8.230 nan 0.000 0.522 378 S N 5.240 120.996 115.700 0.094 0.000 2.575 378 S HA 0.809 5.277 4.470 -0.003 0.000 0.278 378 S C -1.232 173.419 174.600 0.085 0.000 1.139 378 S CA -0.593 57.650 58.200 0.071 0.000 0.954 378 S CB 1.163 64.406 63.200 0.073 0.000 1.054 378 S HN 0.779 nan 8.310 nan 0.000 0.483 379 L N 2.443 123.695 121.223 0.049 0.000 2.569 379 L HA 0.587 4.926 4.340 -0.003 0.000 0.247 379 L C 0.719 177.646 176.870 0.096 0.000 1.135 379 L CA -0.411 54.485 54.840 0.094 0.000 0.812 379 L CB 0.222 42.247 42.059 -0.056 0.000 1.431 379 L HN 0.891 nan 8.230 nan 0.000 0.499 380 N N -0.039 118.763 118.700 0.171 0.000 2.690 380 N HA 0.222 4.960 4.740 -0.003 0.000 0.255 380 N C -1.200 174.309 175.510 -0.003 0.000 1.195 380 N CA -0.247 52.836 53.050 0.054 0.000 0.790 380 N CB 1.019 39.648 38.487 0.237 0.000 1.216 380 N HN 0.597 nan 8.380 nan 0.000 0.528 381 E N 1.177 121.293 120.200 -0.139 0.000 2.349 381 E HA 0.381 4.729 4.350 -0.003 0.000 0.265 381 E C -0.832 175.530 176.600 -0.397 0.000 1.064 381 E CA 0.184 56.610 56.400 0.043 0.000 0.886 381 E CB 1.226 31.012 29.700 0.143 0.000 1.036 381 E HN 0.273 nan 8.360 nan 0.000 0.413 382 F N -0.384 119.646 119.950 0.134 0.000 2.726 382 F HA 0.451 4.976 4.527 -0.003 0.000 0.324 382 F C -0.264 175.530 175.800 -0.011 0.000 1.140 382 F CA -0.828 57.183 58.000 0.018 0.000 0.964 382 F CB 1.898 40.872 39.000 -0.043 0.000 1.399 382 F HN 0.414 nan 8.300 nan 0.000 0.491 383 S N 0.462 116.261 115.700 0.164 0.000 2.546 383 S HA 0.869 5.337 4.470 -0.003 0.000 0.274 383 S C -1.577 173.045 174.600 0.036 0.000 1.121 383 S CA -0.649 57.571 58.200 0.034 0.000 0.887 383 S CB 2.069 65.258 63.200 -0.018 0.000 1.094 383 S HN 0.388 nan 8.310 nan 0.000 0.474 384 I N 2.056 122.622 120.570 -0.006 0.000 2.466 384 I HA 0.422 4.590 4.170 -0.003 0.000 0.289 384 I C 0.466 176.569 176.117 -0.024 0.000 1.026 384 I CA -0.288 61.004 61.300 -0.013 0.000 1.078 384 I CB 2.179 40.165 38.000 -0.024 0.000 1.249 384 I HN 0.906 nan 8.210 nan 0.000 0.429 385 T N 2.040 116.582 114.554 -0.019 0.000 2.913 385 T HA 0.755 5.103 4.350 -0.003 0.000 0.297 385 T C 0.328 175.015 174.700 -0.023 0.000 1.029 385 T CA -0.090 61.998 62.100 -0.021 0.000 1.104 385 T CB 1.197 70.057 68.868 -0.014 0.000 0.964 385 T HN 1.460 nan 8.240 nan 0.000 0.532 386 G N 1.020 109.806 108.800 -0.024 0.000 3.069 386 G HA2 0.155 4.113 3.960 -0.003 0.000 0.686 386 G HA3 0.155 4.113 3.960 -0.003 0.000 0.686 386 G C 0.213 175.091 174.900 -0.036 0.000 1.161 386 G CA -0.055 45.030 45.100 -0.025 0.000 0.804 386 G HN 1.554 nan 8.290 nan 0.000 0.608 387 S N -0.080 115.591 115.700 -0.048 0.000 2.506 387 S HA 0.412 4.880 4.470 -0.003 0.000 0.219 387 S C 1.308 175.829 174.600 -0.132 0.000 1.031 387 S CA 1.320 59.474 58.200 -0.077 0.000 0.911 387 S CB 0.542 63.697 63.200 -0.075 0.000 0.812 387 S HN 1.742 nan 8.310 nan 0.000 0.497 388 T N 0.515 115.006 114.554 -0.105 0.000 2.788 388 T HA 0.279 4.627 4.350 -0.003 0.000 0.287 388 T C -0.206 174.445 174.700 -0.082 0.000 1.007 388 T CA -0.227 61.788 62.100 -0.142 0.000 1.005 388 T CB 0.118 68.972 68.868 -0.024 0.000 1.012 388 T HN 0.270 nan 8.240 nan 0.000 0.530 389 Y N 1.176 121.497 120.300 0.036 0.000 2.547 389 Y HA 0.485 5.033 4.550 -0.003 0.000 0.325 389 Y C 1.082 176.965 175.900 -0.029 0.000 1.165 389 Y CA -0.826 57.283 58.100 0.014 0.000 1.300 389 Y CB -1.085 37.403 38.460 0.047 0.000 1.126 389 Y HN 0.615 nan 8.280 nan 0.000 0.513 390 A N 1.768 124.625 122.820 0.060 0.000 2.290 390 A HA 0.439 4.757 4.320 -0.003 0.000 0.310 390 A C -1.957 175.451 177.584 -0.292 0.000 1.202 390 A CA -1.741 50.188 52.037 -0.179 0.000 0.837 390 A CB 0.362 19.452 19.000 0.150 0.000 1.139 390 A HN 0.052 nan 8.150 nan 0.000 0.509 391 P HA 0.063 nan 4.420 nan 0.000 0.262 391 P C -0.705 176.493 177.300 -0.170 0.000 1.647 391 P CA 0.722 63.635 63.100 -0.312 0.000 0.865 391 P CB -0.399 31.083 31.700 -0.364 0.000 1.834 392 E N 0.092 120.229 120.200 -0.105 0.000 2.246 392 E HA 0.690 5.038 4.350 -0.003 0.000 0.266 392 E C 0.094 176.677 176.600 -0.029 0.000 0.880 392 E CA -0.719 55.657 56.400 -0.040 0.000 0.762 392 E CB 2.119 31.823 29.700 0.006 0.000 1.180 392 E HN 0.240 nan 8.360 nan 0.000 0.416 393 G N 2.045 110.830 108.800 -0.024 0.000 2.337 393 G HA2 0.267 4.226 3.960 -0.003 0.000 0.298 393 G HA3 0.267 4.226 3.960 -0.003 0.000 0.298 393 G C -1.651 173.238 174.900 -0.018 0.000 1.335 393 G CA -0.775 44.313 45.100 -0.019 0.000 0.875 393 G HN 0.538 nan 8.290 nan 0.000 0.579 394 E N -1.846 118.346 120.200 -0.013 0.000 2.433 394 E HA 0.747 5.095 4.350 -0.003 0.000 0.273 394 E C -1.353 175.245 176.600 -0.004 0.000 0.950 394 E CA -1.089 55.307 56.400 -0.007 0.000 0.796 394 E CB 2.351 32.054 29.700 0.005 0.000 1.330 394 E HN 0.601 nan 8.360 nan 0.000 0.455 395 V N 1.392 121.309 119.914 0.005 0.000 2.459 395 V HA 0.489 4.607 4.120 -0.003 0.000 0.295 395 V C -0.368 175.774 176.094 0.081 0.000 1.029 395 V CA -0.706 61.608 62.300 0.023 0.000 0.874 395 V CB 0.878 32.680 31.823 -0.035 0.000 0.985 395 V HN 0.519 nan 8.190 nan 0.000 0.438 396 L N 3.334 124.629 121.223 0.119 0.000 2.388 396 L HA 0.727 5.065 4.340 -0.003 0.000 0.264 396 L C -0.677 176.257 176.870 0.107 0.000 0.998 396 L CA -0.915 53.989 54.840 0.108 0.000 0.817 396 L CB 2.211 44.299 42.059 0.049 0.000 1.338 396 L HN 0.495 nan 8.230 nan 0.000 0.414 397 K N 2.357 122.777 120.400 0.035 0.000 2.425 397 K HA 0.418 4.736 4.320 -0.003 0.000 0.259 397 K C -0.489 176.072 176.600 -0.065 0.000 0.978 397 K CA -0.178 56.028 56.287 -0.135 0.000 0.883 397 K CB 0.459 32.846 32.500 -0.188 0.000 1.110 397 K HN 0.589 nan 8.250 nan 0.000 0.436 398 N N 4.258 122.914 118.700 -0.073 0.000 2.756 398 N HA -0.201 4.537 4.740 -0.003 0.000 0.248 398 N C -0.972 174.528 175.510 -0.017 0.000 1.062 398 N CA 1.296 54.322 53.050 -0.040 0.000 0.696 398 N CB -1.150 37.318 38.487 -0.032 0.000 0.946 398 N HN 0.962 nan 8.380 nan 0.000 0.548 399 D N -1.673 118.719 120.400 -0.013 0.000 3.006 399 D HA -0.216 4.423 4.640 -0.003 0.000 0.208 399 D C -0.353 175.954 176.300 0.011 0.000 1.116 399 D CA 1.695 55.694 54.000 -0.002 0.000 0.998 399 D CB -0.360 40.436 40.800 -0.006 0.000 1.124 399 D HN 0.596 nan 8.370 nan 0.000 0.413 400 K N 1.254 121.665 120.400 0.018 0.000 2.262 400 K HA 0.292 4.610 4.320 -0.003 0.000 0.282 400 K C -2.391 174.241 176.600 0.053 0.000 1.066 400 K CA -1.690 54.616 56.287 0.033 0.000 0.901 400 K CB 1.082 33.603 32.500 0.035 0.000 1.089 400 K HN 0.060 nan 8.250 nan 0.000 0.476 401 P HA -0.034 nan 4.420 nan 0.000 0.264 401 P C -0.485 176.864 177.300 0.083 0.000 1.179 401 P CA 0.642 63.776 63.100 0.056 0.000 0.763 401 P CB 0.599 32.323 31.700 0.039 0.000 0.806 402 I N 1.741 122.368 120.570 0.095 0.000 2.827 402 I HA 0.358 4.527 4.170 -0.003 0.000 0.298 402 I C 0.426 176.604 176.117 0.102 0.000 1.235 402 I CA -1.152 60.230 61.300 0.136 0.000 1.021 402 I CB 2.690 40.828 38.000 0.229 0.000 1.259 402 I HN 0.093 nan 8.210 nan 0.000 0.427 403 R N 2.474 123.043 120.500 0.115 0.000 2.196 403 R HA 0.301 4.639 4.340 -0.003 0.000 0.340 403 R C 0.837 177.202 176.300 0.109 0.000 1.043 403 R CA -0.248 55.897 56.100 0.076 0.000 0.883 403 R CB 1.082 31.419 30.300 0.063 0.000 1.078 403 R HN 0.666 nan 8.270 nan 0.000 0.462 404 S N 2.176 117.896 115.700 0.033 0.000 2.380 404 S HA -0.219 4.249 4.470 -0.003 0.000 0.229 404 S C 2.099 176.730 174.600 0.052 0.000 1.043 404 S CA 1.676 59.868 58.200 -0.013 0.000 1.038 404 S CB -0.227 62.892 63.200 -0.136 0.000 0.872 404 S HN 0.943 nan 8.310 nan 0.000 0.456 405 G N 1.350 110.156 108.800 0.009 0.000 2.547 405 G HA2 -0.326 3.633 3.960 -0.003 0.000 0.221 405 G HA3 -0.326 3.633 3.960 -0.003 0.000 0.221 405 G C 1.215 176.152 174.900 0.061 0.000 1.140 405 G CA 1.172 46.275 45.100 0.006 0.000 0.760 405 G HN 0.566 nan 8.290 nan 0.000 0.583 406 Q N -0.710 119.139 119.800 0.082 0.000 2.376 406 Q HA -0.028 4.311 4.340 -0.003 0.000 0.211 406 Q C -0.093 175.802 176.000 -0.176 0.000 0.986 406 Q CA 0.439 56.213 55.803 -0.048 0.000 0.886 406 Q CB -0.108 28.557 28.738 -0.121 0.000 0.927 406 Q HN 0.565 nan 8.270 nan 0.000 0.457 407 F N 0.198 120.143 119.950 -0.008 0.000 2.411 407 F HA 0.152 4.678 4.527 -0.003 0.000 0.352 407 F C 0.830 176.609 175.800 -0.034 0.000 1.123 407 F CA -0.985 57.016 58.000 0.001 0.000 1.044 407 F CB 1.302 40.308 39.000 0.011 0.000 1.135 407 F HN -0.156 nan 8.300 nan 0.000 0.461 408 D N 2.690 123.161 120.400 0.118 0.000 2.084 408 D HA -0.135 4.503 4.640 -0.003 0.000 0.194 408 D C 2.336 178.662 176.300 0.042 0.000 0.990 408 D CA 1.590 55.626 54.000 0.061 0.000 0.826 408 D CB -0.469 40.357 40.800 0.044 0.000 0.971 408 D HN 0.806 nan 8.370 nan 0.000 0.453 409 G N 1.397 110.241 108.800 0.074 0.000 2.547 409 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.221 409 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.221 409 G C 1.790 176.647 174.900 -0.071 0.000 1.140 409 G CA 0.631 45.737 45.100 0.011 0.000 0.760 409 G HN 0.265 nan 8.290 nan 0.000 0.583 410 L N 0.773 121.951 121.223 -0.074 0.000 2.141 410 L HA -0.066 4.272 4.340 -0.003 0.000 0.209 410 L C 3.138 179.888 176.870 -0.200 0.000 1.094 410 L CA 1.101 55.822 54.840 -0.198 0.000 0.763 410 L CB -0.637 41.250 42.059 -0.286 0.000 0.908 410 L HN 0.305 nan 8.230 nan 0.000 0.437 411 V N -1.861 117.961 119.914 -0.155 0.000 2.407 411 V HA -0.273 3.846 4.120 -0.003 0.000 0.248 411 V C 2.134 178.109 176.094 -0.198 0.000 1.055 411 V CA 2.069 64.242 62.300 -0.212 0.000 1.049 411 V CB -0.418 31.334 31.823 -0.118 0.000 0.662 411 V HN 0.501 nan 8.190 nan 0.000 0.455 412 E N 0.244 120.349 120.200 -0.157 0.000 2.008 412 E HA -0.156 4.192 4.350 -0.003 0.000 0.191 412 E C 2.193 178.637 176.600 -0.260 0.000 0.986 412 E CA 1.515 57.802 56.400 -0.189 0.000 0.807 412 E CB -0.349 29.269 29.700 -0.136 0.000 0.766 412 E HN 0.636 nan 8.360 nan 0.000 0.450 413 L N 0.810 121.890 121.223 -0.238 0.000 2.011 413 L HA -0.351 3.988 4.340 -0.003 0.000 0.225 413 L C 2.417 179.138 176.870 -0.248 0.000 1.084 413 L CA 2.494 57.185 54.840 -0.249 0.000 0.791 413 L CB -0.599 41.315 42.059 -0.242 0.000 0.898 413 L HN 0.302 nan 8.230 nan 0.000 0.440 414 A N -0.551 122.122 122.820 -0.246 0.000 1.884 414 A HA -0.353 3.965 4.320 -0.003 0.000 0.219 414 A C 2.395 179.836 177.584 -0.237 0.000 1.197 414 A CA 3.496 55.392 52.037 -0.235 0.000 0.637 414 A CB -1.662 17.179 19.000 -0.265 0.000 0.827 414 A HN 0.753 nan 8.150 nan 0.000 0.450 415 T N -1.007 113.380 114.554 -0.279 0.000 2.607 415 T HA -0.214 4.135 4.350 -0.003 0.000 0.267 415 T C 1.807 176.289 174.700 -0.364 0.000 1.049 415 T CA 1.750 63.669 62.100 -0.301 0.000 1.162 415 T CB -0.926 67.722 68.868 -0.367 0.000 0.863 415 T HN 0.390 nan 8.240 nan 0.000 0.424 416 I N 1.320 121.587 120.570 -0.506 0.000 2.182 416 I HA -0.292 3.876 4.170 -0.003 0.000 0.248 416 I C 3.008 179.010 176.117 -0.192 0.000 1.073 416 I CA 1.601 62.647 61.300 -0.423 0.000 1.335 416 I CB -0.852 36.954 38.000 -0.323 0.000 1.031 416 I HN 0.459 nan 8.210 nan 0.000 0.420 417 C N 0.483 119.681 119.300 -0.170 0.000 2.440 417 C HA -0.066 4.392 4.460 -0.003 0.000 0.278 417 C C 3.117 178.059 174.990 -0.081 0.000 1.295 417 C CA 0.888 59.844 59.018 -0.104 0.000 1.738 417 C CB -1.249 26.427 27.740 -0.107 0.000 1.987 417 C HN 0.631 nan 8.230 nan 0.000 0.492 418 A N 0.014 122.775 122.820 -0.099 0.000 1.935 418 A HA 0.127 4.445 4.320 -0.003 0.000 0.214 418 A C 2.071 179.634 177.584 -0.035 0.000 1.178 418 A CA 0.925 52.924 52.037 -0.063 0.000 0.640 418 A CB -0.375 18.586 19.000 -0.066 0.000 0.825 418 A HN 0.567 nan 8.150 nan 0.000 0.447 419 L N -1.352 119.844 121.223 -0.045 0.000 2.049 419 L HA -0.149 4.189 4.340 -0.003 0.000 0.203 419 L C 2.720 179.624 176.870 0.058 0.000 1.074 419 L CA 1.024 55.878 54.840 0.023 0.000 0.749 419 L CB -0.786 41.316 42.059 0.070 0.000 0.907 419 L HN 0.502 nan 8.230 nan 0.000 0.439 420 C N 0.359 119.692 119.300 0.055 0.000 2.436 420 C HA -0.132 4.326 4.460 -0.003 0.000 0.277 420 C C 1.643 176.666 174.990 0.055 0.000 1.241 420 C CA 0.072 59.136 59.018 0.076 0.000 1.721 420 C CB -1.170 26.616 27.740 0.076 0.000 2.043 420 C HN 0.557 nan 8.230 nan 0.000 0.472 421 N N 1.260 119.977 118.700 0.028 0.000 2.292 421 N HA -0.065 4.673 4.740 -0.003 0.000 0.258 421 N C 0.354 175.876 175.510 0.020 0.000 1.261 421 N CA 0.940 54.001 53.050 0.018 0.000 0.845 421 N CB 0.206 38.688 38.487 -0.008 0.000 1.064 421 N HN 0.392 nan 8.380 nan 0.000 0.471 422 D N 0.973 121.386 120.400 0.023 0.000 2.327 422 D HA 0.031 4.669 4.640 -0.003 0.000 0.205 422 D C 0.124 176.428 176.300 0.006 0.000 0.989 422 D CA 0.407 54.421 54.000 0.023 0.000 0.873 422 D CB 0.121 40.942 40.800 0.035 0.000 0.955 422 D HN 0.462 nan 8.370 nan 0.000 0.515 423 S N 0.135 115.828 115.700 -0.011 0.000 2.617 423 S HA 0.441 4.909 4.470 -0.003 0.000 0.259 423 S C 0.682 175.261 174.600 -0.035 0.000 1.301 423 S CA -0.452 57.728 58.200 -0.033 0.000 0.984 423 S CB 1.362 64.524 63.200 -0.063 0.000 0.954 423 S HN 0.326 nan 8.310 nan 0.000 0.572 424 S N -0.843 114.828 115.700 -0.048 0.000 2.724 424 S HA 0.647 5.115 4.470 -0.003 0.000 0.278 424 S C -1.678 172.897 174.600 -0.041 0.000 1.190 424 S CA -1.005 57.174 58.200 -0.034 0.000 0.860 424 S CB 0.354 63.550 63.200 -0.007 0.000 1.206 424 S HN 0.479 nan 8.310 nan 0.000 0.507 425 L N 0.841 122.063 121.223 -0.002 0.000 2.354 425 L HA 0.799 5.137 4.340 -0.003 0.000 0.269 425 L C -1.259 175.668 176.870 0.096 0.000 1.005 425 L CA -0.525 54.338 54.840 0.039 0.000 0.819 425 L CB 1.952 44.045 42.059 0.057 0.000 1.311 425 L HN 0.955 nan 8.230 nan 0.000 0.423 426 D N 0.535 121.019 120.400 0.139 0.000 2.596 426 D HA 0.448 5.086 4.640 -0.003 0.000 0.234 426 D C -1.750 174.694 176.300 0.239 0.000 1.181 426 D CA -0.316 53.780 54.000 0.160 0.000 0.856 426 D CB 2.265 43.114 40.800 0.081 0.000 1.498 426 D HN 0.258 nan 8.370 nan 0.000 0.446 427 F N 2.687 122.680 119.950 0.072 0.000 2.496 427 F HA 0.395 4.920 4.527 -0.003 0.000 0.341 427 F C -0.944 174.826 175.800 -0.050 0.000 1.134 427 F CA -0.840 57.145 58.000 -0.025 0.000 0.968 427 F CB 0.830 39.773 39.000 -0.096 0.000 1.205 427 F HN 0.410 nan 8.300 nan 0.000 0.436 428 N N 4.117 122.489 118.700 -0.547 0.000 2.408 428 N HA 0.132 4.871 4.740 -0.003 0.000 0.257 428 N C 0.284 175.520 175.510 -0.456 0.000 1.064 428 N CA -0.420 52.431 53.050 -0.332 0.000 0.952 428 N CB 1.042 39.389 38.487 -0.233 0.000 1.093 428 N HN 0.712 nan 8.380 nan 0.000 0.490 429 E N 1.624 121.790 120.200 -0.058 0.000 2.160 429 E HA -0.188 4.160 4.350 -0.003 0.000 0.195 429 E C 1.051 177.644 176.600 -0.011 0.000 0.991 429 E CA 1.521 57.985 56.400 0.107 0.000 0.810 429 E CB -0.046 29.753 29.700 0.164 0.000 0.742 429 E HN 0.739 nan 8.360 nan 0.000 0.466 430 T N 1.251 115.770 114.554 -0.058 0.000 2.684 430 T HA -0.148 4.201 4.350 -0.003 0.000 0.267 430 T C 1.706 176.361 174.700 -0.075 0.000 1.036 430 T CA 1.183 63.252 62.100 -0.050 0.000 1.148 430 T CB -0.046 68.794 68.868 -0.047 0.000 0.863 430 T HN 0.088 nan 8.240 nan 0.000 0.436 431 K N 0.190 120.506 120.400 -0.140 0.000 2.379 431 K HA 0.230 4.549 4.320 -0.003 0.000 0.194 431 K C 1.228 177.720 176.600 -0.181 0.000 1.031 431 K CA 0.319 56.521 56.287 -0.143 0.000 1.037 431 K CB 0.290 32.699 32.500 -0.152 0.000 0.824 431 K HN 0.415 nan 8.250 nan 0.000 0.516 432 G N 2.046 110.682 108.800 -0.272 0.000 2.338 432 G HA2 -0.226 3.732 3.960 -0.003 0.000 0.296 432 G HA3 -0.226 3.732 3.960 -0.003 0.000 0.296 432 G C -0.253 174.454 174.900 -0.322 0.000 1.040 432 G CA 0.255 45.243 45.100 -0.187 0.000 1.004 432 G HN 0.119 nan 8.290 nan 0.000 0.509 433 V N -0.813 118.626 119.914 -0.792 0.000 3.147 433 V HA 0.601 4.719 4.120 -0.003 0.000 0.306 433 V C -0.471 175.237 176.094 -0.644 0.000 1.209 433 V CA -1.630 60.387 62.300 -0.471 0.000 1.023 433 V CB 1.825 33.537 31.823 -0.186 0.000 1.059 433 V HN 0.233 nan 8.190 nan 0.000 0.435 434 Y N 1.268 121.567 120.300 -0.002 0.000 2.316 434 Y HA 0.501 5.050 4.550 -0.003 0.000 0.331 434 Y C 0.660 176.606 175.900 0.077 0.000 1.083 434 Y CA -0.120 58.044 58.100 0.106 0.000 1.206 434 Y CB 0.774 39.368 38.460 0.224 0.000 1.195 434 Y HN 0.546 nan 8.280 nan 0.000 0.497 435 E N 2.160 122.477 120.200 0.194 0.000 2.227 435 E HA 0.232 4.580 4.350 -0.003 0.000 0.268 435 E C -1.003 175.648 176.600 0.086 0.000 0.907 435 E CA -1.341 55.144 56.400 0.141 0.000 0.786 435 E CB 2.121 31.842 29.700 0.035 0.000 1.191 435 E HN 0.406 nan 8.360 nan 0.000 0.411 436 K N 2.257 122.673 120.400 0.026 0.000 2.378 436 K HA 0.106 4.424 4.320 -0.003 0.000 0.288 436 K C 0.214 176.749 176.600 -0.108 0.000 1.057 436 K CA -0.132 56.011 56.287 -0.240 0.000 0.971 436 K CB 0.662 32.939 32.500 -0.371 0.000 0.975 436 K HN 0.294 nan 8.250 nan 0.000 0.475 437 V N 4.103 123.955 119.914 -0.104 0.000 2.374 437 V HA -0.016 4.102 4.120 -0.003 0.000 0.241 437 V C 1.686 177.748 176.094 -0.052 0.000 1.034 437 V CA 1.820 64.090 62.300 -0.050 0.000 1.037 437 V CB -0.348 31.459 31.823 -0.026 0.000 0.682 437 V HN 1.012 nan 8.190 nan 0.000 0.463 438 G N -0.739 108.017 108.800 -0.073 0.000 3.287 438 G HA2 0.122 4.080 3.960 -0.003 0.000 0.172 438 G HA3 0.122 4.080 3.960 -0.003 0.000 0.172 438 G C 0.014 174.877 174.900 -0.062 0.000 1.922 438 G CA -0.080 44.988 45.100 -0.054 0.000 0.952 438 G HN 0.405 nan 8.290 nan 0.000 0.520 439 E N -0.342 119.819 120.200 -0.065 0.000 2.214 439 E HA 0.510 4.858 4.350 -0.003 0.000 0.274 439 E C 1.327 177.878 176.600 -0.082 0.000 0.977 439 E CA -0.217 56.149 56.400 -0.057 0.000 0.827 439 E CB 1.827 31.499 29.700 -0.046 0.000 1.130 439 E HN 0.297 nan 8.360 nan 0.000 0.394 440 A N 2.589 125.382 122.820 -0.043 0.000 1.903 440 A HA -0.271 4.048 4.320 -0.003 0.000 0.219 440 A C 2.099 179.687 177.584 0.007 0.000 1.191 440 A CA 2.745 54.781 52.037 -0.001 0.000 0.638 440 A CB -1.283 17.774 19.000 0.096 0.000 0.823 440 A HN 0.810 nan 8.150 nan 0.000 0.451 441 T N -3.022 111.532 114.554 0.001 0.000 2.985 441 T HA 0.000 4.348 4.350 -0.003 0.000 0.266 441 T C 1.561 176.255 174.700 -0.009 0.000 1.076 441 T CA 1.395 63.501 62.100 0.011 0.000 1.135 441 T CB -0.181 68.689 68.868 0.003 0.000 0.890 441 T HN 0.630 nan 8.240 nan 0.000 0.480 442 E N 0.474 120.652 120.200 -0.037 0.000 2.102 442 E HA -0.010 4.338 4.350 -0.003 0.000 0.190 442 E C 2.245 178.801 176.600 -0.072 0.000 0.971 442 E CA 0.948 57.324 56.400 -0.039 0.000 0.821 442 E CB -0.263 29.417 29.700 -0.033 0.000 0.777 442 E HN 0.395 nan 8.360 nan 0.000 0.460 443 T N 0.271 114.744 114.554 -0.134 0.000 2.996 443 T HA -0.095 4.253 4.350 -0.003 0.000 0.271 443 T C 1.596 176.170 174.700 -0.210 0.000 1.126 443 T CA 1.018 62.982 62.100 -0.226 0.000 1.103 443 T CB -0.084 68.537 68.868 -0.412 0.000 0.870 443 T HN 0.223 nan 8.240 nan 0.000 0.528 444 A N 0.880 123.645 122.820 -0.092 0.000 1.855 444 A HA 0.200 4.518 4.320 -0.003 0.000 0.213 444 A C 2.195 179.783 177.584 0.007 0.000 1.195 444 A CA 0.772 52.833 52.037 0.039 0.000 0.610 444 A CB -0.658 18.405 19.000 0.104 0.000 0.837 444 A HN 0.539 nan 8.150 nan 0.000 0.444 445 L N -0.167 121.048 121.223 -0.014 0.000 2.129 445 L HA -0.209 4.129 4.340 -0.003 0.000 0.212 445 L C 2.686 179.529 176.870 -0.045 0.000 1.087 445 L CA 1.673 56.496 54.840 -0.028 0.000 0.757 445 L CB -1.197 40.845 42.059 -0.029 0.000 0.896 445 L HN 0.350 nan 8.230 nan 0.000 0.434 446 T N -0.778 113.745 114.554 -0.051 0.000 2.643 446 T HA -0.202 4.146 4.350 -0.003 0.000 0.264 446 T C 1.982 176.650 174.700 -0.054 0.000 1.045 446 T CA 2.222 64.288 62.100 -0.057 0.000 1.155 446 T CB -0.423 68.404 68.868 -0.068 0.000 0.863 446 T HN 0.599 nan 8.240 nan 0.000 0.420 447 T N 1.147 115.677 114.554 -0.040 0.000 2.915 447 T HA -0.032 4.317 4.350 -0.003 0.000 0.269 447 T C 1.964 176.636 174.700 -0.048 0.000 1.071 447 T CA 0.901 62.977 62.100 -0.041 0.000 1.132 447 T CB -0.535 68.340 68.868 0.013 0.000 0.878 447 T HN 0.178 nan 8.240 nan 0.000 0.479 448 L N 1.495 122.694 121.223 -0.039 0.000 2.017 448 L HA 0.057 4.396 4.340 -0.003 0.000 0.208 448 L C 2.550 179.370 176.870 -0.083 0.000 1.073 448 L CA 1.390 56.197 54.840 -0.055 0.000 0.745 448 L CB -1.076 40.952 42.059 -0.051 0.000 0.894 448 L HN 0.165 nan 8.230 nan 0.000 0.432 449 V N 0.260 120.122 119.914 -0.087 0.000 2.219 449 V HA -0.328 3.790 4.120 -0.003 0.000 0.248 449 V C 2.748 178.783 176.094 -0.098 0.000 1.053 449 V CA 2.140 64.377 62.300 -0.104 0.000 1.009 449 V CB -0.769 30.999 31.823 -0.092 0.000 0.636 449 V HN 0.504 nan 8.190 nan 0.000 0.445 450 E N 0.176 120.326 120.200 -0.084 0.000 2.086 450 E HA -0.283 4.065 4.350 -0.003 0.000 0.205 450 E C 2.180 178.730 176.600 -0.084 0.000 1.027 450 E CA 1.639 57.989 56.400 -0.083 0.000 0.830 450 E CB -0.427 29.214 29.700 -0.099 0.000 0.751 450 E HN 0.570 nan 8.360 nan 0.000 0.456 451 K N 0.034 120.384 120.400 -0.084 0.000 2.442 451 K HA -0.037 4.281 4.320 -0.003 0.000 0.198 451 K C 1.776 178.330 176.600 -0.077 0.000 1.042 451 K CA 1.006 57.248 56.287 -0.074 0.000 0.958 451 K CB -0.049 32.413 32.500 -0.065 0.000 0.766 451 K HN 0.254 nan 8.250 nan 0.000 0.474 452 M N 0.072 119.613 119.600 -0.099 0.000 2.603 452 M HA 0.172 4.651 4.480 -0.003 0.000 0.380 452 M C -0.671 175.543 176.300 -0.143 0.000 1.158 452 M CA -0.684 54.545 55.300 -0.120 0.000 0.921 452 M CB 0.239 32.745 32.600 -0.157 0.000 1.417 452 M HN -0.179 nan 8.290 nan 0.000 0.523 453 N N 1.612 120.239 118.700 -0.120 0.000 2.111 453 N HA -0.093 4.645 4.740 -0.003 0.000 0.281 453 N C 0.721 176.116 175.510 -0.191 0.000 1.384 453 N CA 0.370 53.338 53.050 -0.137 0.000 0.994 453 N CB -0.139 38.312 38.487 -0.061 0.000 1.411 453 N HN 0.341 nan 8.380 nan 0.000 0.485 454 V N 1.337 121.031 119.914 -0.366 0.000 2.363 454 V HA -0.295 3.824 4.120 -0.003 0.000 0.254 454 V C 1.277 177.143 176.094 -0.381 0.000 1.074 454 V CA 1.739 63.752 62.300 -0.479 0.000 1.069 454 V CB -0.900 30.442 31.823 -0.801 0.000 0.659 454 V HN 0.566 nan 8.190 nan 0.000 0.455 455 F N 0.053 119.988 119.950 -0.024 0.000 2.732 455 F HA 0.316 4.841 4.527 -0.003 0.000 0.303 455 F C 1.440 177.232 175.800 -0.013 0.000 1.110 455 F CA -0.516 57.473 58.000 -0.018 0.000 1.355 455 F CB -0.990 37.998 39.000 -0.021 0.000 1.081 455 F HN 0.184 nan 8.300 nan 0.000 0.565 456 N N -0.728 118.032 118.700 0.100 0.000 2.900 456 N HA -0.198 4.540 4.740 -0.003 0.000 0.240 456 N C 0.339 175.890 175.510 0.069 0.000 0.953 456 N CA 1.315 54.403 53.050 0.064 0.000 0.950 456 N CB -1.834 36.690 38.487 0.062 0.000 1.102 456 N HN 0.451 nan 8.380 nan 0.000 0.593 457 T N 0.764 115.382 114.554 0.108 0.000 2.476 457 T HA -0.069 4.279 4.350 -0.003 0.000 0.236 457 T C 0.438 175.164 174.700 0.044 0.000 1.100 457 T CA 0.255 62.404 62.100 0.082 0.000 1.485 457 T CB -0.187 68.746 68.868 0.109 0.000 1.093 457 T HN 0.094 nan 8.240 nan 0.000 0.495 458 E N 2.451 122.670 120.200 0.031 0.000 2.652 458 E HA 0.125 4.473 4.350 -0.003 0.000 0.255 458 E C 1.186 177.794 176.600 0.013 0.000 0.952 458 E CA 0.213 56.624 56.400 0.019 0.000 0.947 458 E CB 0.600 30.308 29.700 0.014 0.000 0.912 458 E HN 0.792 nan 8.360 nan 0.000 0.489 459 V N 0.298 120.217 119.914 0.008 0.000 3.380 459 V HA 0.080 4.198 4.120 -0.003 0.000 0.277 459 V C 1.777 177.871 176.094 -0.001 0.000 1.590 459 V CA -0.183 62.119 62.300 0.004 0.000 1.019 459 V CB 0.375 32.199 31.823 0.002 0.000 0.828 459 V HN 0.458 nan 8.190 nan 0.000 0.427 460 R N 4.424 124.924 120.500 -0.000 0.000 2.140 460 R HA -0.190 4.148 4.340 -0.003 0.000 0.250 460 R C 1.114 177.411 176.300 -0.004 0.000 1.150 460 R CA 2.738 58.837 56.100 -0.001 0.000 0.966 460 R CB -1.368 28.932 30.300 0.001 0.000 0.869 460 R HN 0.839 nan 8.270 nan 0.000 0.445 461 N N 0.279 118.976 118.700 -0.004 0.000 2.652 461 N HA 0.137 4.875 4.740 -0.003 0.000 0.259 461 N C -0.545 174.959 175.510 -0.010 0.000 1.240 461 N CA 0.110 53.156 53.050 -0.006 0.000 0.951 461 N CB -0.027 38.458 38.487 -0.004 0.000 1.281 461 N HN 0.199 nan 8.380 nan 0.000 0.507 462 L N -0.465 120.749 121.223 -0.014 0.000 2.301 462 L HA 0.512 4.850 4.340 -0.003 0.000 0.264 462 L C 0.416 177.262 176.870 -0.039 0.000 1.016 462 L CA -1.198 53.630 54.840 -0.020 0.000 0.821 462 L CB 1.819 43.869 42.059 -0.014 0.000 1.346 462 L HN 0.247 nan 8.230 nan 0.000 0.429 463 S N -0.189 115.479 115.700 -0.054 0.000 2.645 463 S HA 0.248 4.716 4.470 -0.003 0.000 0.266 463 S C 0.652 175.162 174.600 -0.151 0.000 1.258 463 S CA -0.630 57.510 58.200 -0.100 0.000 0.990 463 S CB 1.309 64.454 63.200 -0.091 0.000 0.967 463 S HN 0.603 nan 8.310 nan 0.000 0.556 464 K N 0.145 120.354 120.400 -0.319 0.000 2.057 464 K HA -0.055 4.263 4.320 -0.003 0.000 0.206 464 K C 2.054 178.435 176.600 -0.366 0.000 1.050 464 K CA 1.229 57.224 56.287 -0.487 0.000 0.935 464 K CB -0.800 30.924 32.500 -1.293 0.000 0.715 464 K HN 0.446 nan 8.250 nan 0.000 0.439 465 V N 3.057 122.770 119.914 -0.334 0.000 2.220 465 V HA -0.334 3.785 4.120 -0.003 0.000 0.250 465 V C 2.514 178.634 176.094 0.044 0.000 1.056 465 V CA 2.423 64.704 62.300 -0.031 0.000 1.016 465 V CB -0.824 31.010 31.823 0.019 0.000 0.639 465 V HN 0.507 nan 8.190 nan 0.000 0.446 466 E N 1.079 121.285 120.200 0.010 0.000 2.204 466 E HA -0.287 4.061 4.350 -0.003 0.000 0.194 466 E C 2.214 178.834 176.600 0.034 0.000 0.989 466 E CA 1.412 57.828 56.400 0.026 0.000 0.824 466 E CB -0.445 29.261 29.700 0.010 0.000 0.756 466 E HN 0.510 nan 8.360 nan 0.000 0.477 467 R N 1.662 122.178 120.500 0.026 0.000 2.200 467 R HA -0.092 4.246 4.340 -0.003 0.000 0.234 467 R C 2.172 178.507 176.300 0.058 0.000 1.127 467 R CA 1.411 57.532 56.100 0.035 0.000 0.989 467 R CB -0.599 29.722 30.300 0.036 0.000 0.869 467 R HN 0.274 nan 8.270 nan 0.000 0.459 468 A N 0.646 123.548 122.820 0.136 0.000 1.865 468 A HA -0.154 4.165 4.320 -0.003 0.000 0.217 468 A C 1.413 179.029 177.584 0.053 0.000 1.191 468 A CA 1.838 53.966 52.037 0.152 0.000 0.623 468 A CB -0.357 18.804 19.000 0.269 0.000 0.826 468 A HN 0.534 nan 8.150 nan 0.000 0.444 469 N N -0.782 117.948 118.700 0.050 0.000 2.234 469 N HA 0.330 5.068 4.740 -0.003 0.000 0.227 469 N C 1.334 176.853 175.510 0.014 0.000 1.151 469 N CA 0.665 53.729 53.050 0.024 0.000 0.865 469 N CB 0.408 38.913 38.487 0.031 0.000 1.066 469 N HN 0.445 nan 8.380 nan 0.000 0.515 470 A N 1.079 123.906 122.820 0.013 0.000 1.859 470 A HA -0.240 4.078 4.320 -0.003 0.000 0.218 470 A C 2.325 179.916 177.584 0.011 0.000 1.242 470 A CA 1.685 53.729 52.037 0.011 0.000 0.661 470 A CB -1.114 17.890 19.000 0.006 0.000 0.842 470 A HN 0.468 nan 8.150 nan 0.000 0.455 471 C N -0.191 119.108 119.300 -0.001 0.000 2.419 471 C HA -0.059 4.400 4.460 -0.003 0.000 0.283 471 C C 2.589 177.577 174.990 -0.003 0.000 1.373 471 C CA 0.781 59.798 59.018 -0.001 0.000 1.781 471 C CB -1.713 26.007 27.740 -0.033 0.000 1.886 471 C HN 0.610 nan 8.230 nan 0.000 0.520 472 N N 1.624 120.319 118.700 -0.009 0.000 2.132 472 N HA -0.093 4.645 4.740 -0.003 0.000 0.187 472 N C 2.033 177.549 175.510 0.010 0.000 1.038 472 N CA 1.890 54.933 53.050 -0.011 0.000 0.846 472 N CB -0.789 37.689 38.487 -0.015 0.000 1.012 472 N HN 0.624 nan 8.380 nan 0.000 0.429 473 S N 0.954 116.664 115.700 0.015 0.000 2.440 473 S HA -0.094 4.374 4.470 -0.003 0.000 0.240 473 S C 2.209 176.828 174.600 0.031 0.000 1.014 473 S CA 0.951 59.165 58.200 0.022 0.000 0.980 473 S CB -0.827 62.386 63.200 0.021 0.000 0.775 473 S HN 0.037 nan 8.310 nan 0.000 0.499 474 V N 2.320 122.259 119.914 0.043 0.000 2.237 474 V HA -0.127 3.992 4.120 -0.003 0.000 0.245 474 V C 2.450 178.593 176.094 0.081 0.000 1.046 474 V CA 2.015 64.356 62.300 0.068 0.000 1.007 474 V CB -0.657 31.235 31.823 0.115 0.000 0.638 474 V HN 0.524 nan 8.190 nan 0.000 0.445 475 I N -0.598 120.026 120.570 0.089 0.000 2.493 475 I HA -0.197 3.971 4.170 -0.003 0.000 0.254 475 I C 2.692 178.839 176.117 0.049 0.000 1.160 475 I CA 1.193 62.544 61.300 0.084 0.000 1.445 475 I CB -0.459 37.563 38.000 0.036 0.000 1.086 475 I HN 0.240 nan 8.210 nan 0.000 0.433 476 R N 0.657 121.178 120.500 0.035 0.000 2.105 476 R HA -0.191 4.148 4.340 -0.003 0.000 0.239 476 R C 2.168 178.487 176.300 0.032 0.000 1.135 476 R CA 1.364 57.483 56.100 0.031 0.000 0.967 476 R CB -0.214 30.101 30.300 0.025 0.000 0.861 476 R HN 0.523 nan 8.270 nan 0.000 0.442 477 Q N 0.256 120.074 119.800 0.029 0.000 2.331 477 Q HA -0.019 4.319 4.340 -0.003 0.000 0.203 477 Q C 2.124 178.134 176.000 0.016 0.000 0.944 477 Q CA 0.422 56.236 55.803 0.019 0.000 0.892 477 Q CB 0.079 28.824 28.738 0.012 0.000 0.983 477 Q HN 0.340 nan 8.270 nan 0.000 0.482 478 L N -0.014 121.223 121.223 0.024 0.000 1.955 478 L HA -0.100 4.239 4.340 -0.003 0.000 0.213 478 L C 0.871 177.758 176.870 0.029 0.000 1.072 478 L CA 1.002 55.853 54.840 0.018 0.000 0.755 478 L CB 0.178 42.261 42.059 0.040 0.000 0.888 478 L HN 0.176 nan 8.230 nan 0.000 0.432 479 M N -0.080 119.551 119.600 0.052 0.000 2.471 479 M HA 0.249 4.727 4.480 -0.003 0.000 0.309 479 M C -0.333 175.991 176.300 0.041 0.000 1.186 479 M CA -0.106 55.229 55.300 0.058 0.000 1.008 479 M CB 1.234 33.907 32.600 0.121 0.000 1.551 479 M HN -0.010 nan 8.290 nan 0.000 0.477 480 K N 1.686 122.101 120.400 0.026 0.000 2.358 480 K HA 0.236 4.554 4.320 -0.003 0.000 0.260 480 K C -0.654 175.955 176.600 0.015 0.000 0.956 480 K CA -0.475 55.825 56.287 0.022 0.000 0.834 480 K CB 1.227 33.738 32.500 0.018 0.000 1.102 480 K HN 0.584 nan 8.250 nan 0.000 0.431 481 K N 4.793 125.207 120.400 0.024 0.000 2.294 481 K HA -0.010 4.308 4.320 -0.003 0.000 0.288 481 K C 0.371 176.980 176.600 0.015 0.000 1.072 481 K CA -0.021 56.274 56.287 0.014 0.000 0.960 481 K CB 0.631 33.151 32.500 0.033 0.000 1.043 481 K HN 0.552 nan 8.250 nan 0.000 0.455 482 E N 3.281 123.468 120.200 -0.020 0.000 2.028 482 E HA -0.037 4.311 4.350 -0.003 0.000 0.190 482 E C 0.233 176.898 176.600 0.109 0.000 0.984 482 E CA 1.084 57.494 56.400 0.017 0.000 0.800 482 E CB -0.176 29.516 29.700 -0.014 0.000 0.758 482 E HN 0.616 nan 8.360 nan 0.000 0.448 483 F N -1.715 118.257 119.950 0.038 0.000 2.744 483 F HA 0.464 4.989 4.527 -0.003 0.000 0.311 483 F C -1.050 174.752 175.800 0.002 0.000 1.144 483 F CA -1.323 56.678 58.000 0.002 0.000 0.938 483 F CB 1.033 40.003 39.000 -0.049 0.000 1.292 483 F HN -0.205 nan 8.300 nan 0.000 0.444 484 T N 0.454 115.193 114.554 0.308 0.000 2.863 484 T HA 0.724 5.072 4.350 -0.003 0.000 0.285 484 T C -0.995 173.764 174.700 0.098 0.000 1.009 484 T CA -0.808 61.388 62.100 0.161 0.000 0.989 484 T CB 1.560 70.491 68.868 0.105 0.000 1.004 484 T HN 0.860 nan 8.240 nan 0.000 0.455 485 L N 4.195 125.394 121.223 -0.039 0.000 2.315 485 L HA 0.334 4.672 4.340 -0.003 0.000 0.278 485 L C 1.243 178.071 176.870 -0.070 0.000 1.088 485 L CA -1.001 53.608 54.840 -0.385 0.000 0.899 485 L CB 0.166 41.926 42.059 -0.497 0.000 1.277 485 L HN 0.790 nan 8.230 nan 0.000 0.431 486 E N 2.638 122.891 120.200 0.089 0.000 2.468 486 E HA -0.128 4.221 4.350 -0.003 0.000 0.263 486 E C -0.438 176.327 176.600 0.275 0.000 1.192 486 E CA -0.215 56.320 56.400 0.224 0.000 1.016 486 E CB 0.686 30.547 29.700 0.268 0.000 0.980 486 E HN 0.264 nan 8.360 nan 0.000 0.467 487 F N 1.076 121.123 119.950 0.162 0.000 2.553 487 F HA 0.128 4.654 4.527 -0.003 0.000 0.356 487 F C 0.269 176.173 175.800 0.174 0.000 1.142 487 F CA 1.002 59.092 58.000 0.151 0.000 1.322 487 F CB 0.615 39.681 39.000 0.111 0.000 1.126 487 F HN 0.523 nan 8.300 nan 0.000 0.599 488 S N 4.787 120.202 115.700 -0.474 0.000 2.603 488 S HA 0.388 4.856 4.470 -0.003 0.000 0.274 488 S C 0.033 174.441 174.600 -0.320 0.000 1.168 488 S CA -1.090 57.024 58.200 -0.145 0.000 0.963 488 S CB 1.700 64.875 63.200 -0.042 0.000 1.078 488 S HN 0.786 nan 8.310 nan 0.000 0.477 489 R N 1.186 121.708 120.500 0.036 0.000 2.355 489 R HA -0.102 4.237 4.340 -0.003 0.000 0.219 489 R C 0.981 177.292 176.300 0.019 0.000 1.107 489 R CA 1.984 58.155 56.100 0.118 0.000 1.021 489 R CB -0.468 29.952 30.300 0.200 0.000 0.852 489 R HN 0.891 nan 8.270 nan 0.000 0.475 490 D N 0.233 120.612 120.400 -0.036 0.000 2.106 490 D HA -0.191 4.448 4.640 -0.003 0.000 0.203 490 D C 1.718 177.985 176.300 -0.054 0.000 0.977 490 D CA 0.689 54.672 54.000 -0.029 0.000 0.844 490 D CB -0.296 40.481 40.800 -0.038 0.000 1.002 490 D HN 0.199 nan 8.370 nan 0.000 0.461 491 R N 0.272 120.709 120.500 -0.106 0.000 2.299 491 R HA 0.089 4.427 4.340 -0.003 0.000 0.197 491 R C -0.055 176.161 176.300 -0.140 0.000 0.971 491 R CA -0.076 55.966 56.100 -0.097 0.000 1.030 491 R CB -0.235 30.021 30.300 -0.073 0.000 0.932 491 R HN -0.167 nan 8.270 nan 0.000 0.477 492 K N 1.669 121.907 120.400 -0.270 0.000 3.689 492 K HA -0.179 4.139 4.320 -0.003 0.000 0.276 492 K C -0.913 175.574 176.600 -0.188 0.000 0.932 492 K CA 1.389 57.537 56.287 -0.232 0.000 0.758 492 K CB -1.717 30.830 32.500 0.077 0.000 1.500 492 K HN 0.781 nan 8.250 nan 0.000 0.448 493 S N -1.764 113.612 115.700 -0.540 0.000 2.686 493 S HA 0.656 5.124 4.470 -0.003 0.000 0.273 493 S C -0.686 173.863 174.600 -0.085 0.000 1.060 493 S CA -0.814 57.343 58.200 -0.071 0.000 0.845 493 S CB 1.909 65.118 63.200 0.016 0.000 1.086 493 S HN 0.485 nan 8.310 nan 0.000 0.461 494 M N 0.411 120.092 119.600 0.135 0.000 2.631 494 M HA 0.944 5.423 4.480 -0.003 0.000 0.288 494 M C -0.570 175.800 176.300 0.117 0.000 1.260 494 M CA -0.493 54.893 55.300 0.144 0.000 0.842 494 M CB 2.065 34.819 32.600 0.256 0.000 1.743 494 M HN 1.247 nan 8.290 nan 0.000 0.461 495 S N 0.232 115.983 115.700 0.085 0.000 2.840 495 S HA 0.970 5.438 4.470 -0.003 0.000 0.307 495 S C -0.876 173.749 174.600 0.042 0.000 1.180 495 S CA -0.178 58.063 58.200 0.069 0.000 0.846 495 S CB 1.720 64.950 63.200 0.051 0.000 1.233 495 S HN 1.913 nan 8.310 nan 0.000 0.548 496 V N -1.706 118.206 119.914 -0.002 0.000 2.852 496 V HA 0.604 4.722 4.120 -0.003 0.000 0.300 496 V C -1.689 174.268 176.094 -0.229 0.000 1.205 496 V CA -0.871 61.390 62.300 -0.065 0.000 0.940 496 V CB 0.733 32.567 31.823 0.019 0.000 1.047 496 V HN 1.024 nan 8.190 nan 0.000 0.429 497 Y N 3.583 123.545 120.300 -0.563 0.000 2.336 497 Y HA 0.706 5.254 4.550 -0.003 0.000 0.335 497 Y C 0.186 175.778 175.900 -0.513 0.000 1.046 497 Y CA 0.140 57.818 58.100 -0.703 0.000 1.198 497 Y CB 1.021 38.672 38.460 -1.348 0.000 1.182 497 Y HN 1.015 nan 8.280 nan 0.000 0.502 498 C N 4.013 122.983 119.300 -0.550 0.000 2.498 498 C HA 0.563 5.021 4.460 -0.003 0.000 0.316 498 C C -0.070 174.781 174.990 -0.231 0.000 1.209 498 C CA -1.024 57.820 59.018 -0.291 0.000 1.518 498 C CB 1.085 28.698 27.740 -0.213 0.000 2.147 498 C HN 0.844 nan 8.230 nan 0.000 0.483 499 S N 1.836 117.487 115.700 -0.082 0.000 2.617 499 S HA 0.521 4.989 4.470 -0.003 0.000 0.283 499 S C -1.966 172.618 174.600 -0.026 0.000 1.189 499 S CA -1.068 57.108 58.200 -0.041 0.000 1.036 499 S CB 1.309 64.512 63.200 0.005 0.000 1.014 499 S HN 0.561 nan 8.310 nan 0.000 0.522 500 P HA 0.225 nan 4.420 nan 0.000 0.227 500 P C 0.843 178.142 177.300 -0.002 0.000 1.161 500 P CA 1.368 64.463 63.100 -0.008 0.000 0.788 500 P CB -0.121 31.571 31.700 -0.014 0.000 0.822 501 A N -0.734 122.085 122.820 -0.001 0.000 5.153 501 A HA -0.259 4.059 4.320 -0.003 0.000 0.267 501 A C -0.076 177.506 177.584 -0.003 0.000 2.226 501 A CA 0.720 52.758 52.037 0.001 0.000 0.715 501 A CB -2.210 16.792 19.000 0.003 0.000 1.082 501 A HN 0.308 nan 8.150 nan 0.000 0.332 502 K N 1.327 121.723 120.400 -0.006 0.000 2.489 502 K HA 0.438 4.757 4.320 -0.003 0.000 0.278 502 K C 0.511 177.104 176.600 -0.012 0.000 1.000 502 K CA 0.657 56.938 56.287 -0.009 0.000 1.012 502 K CB 0.437 32.929 32.500 -0.013 0.000 0.903 502 K HN 1.039 nan 8.250 nan 0.000 0.485 503 S N 1.310 117.004 115.700 -0.011 0.000 2.611 503 S HA -0.042 4.426 4.470 -0.003 0.000 0.252 503 S C 0.621 175.212 174.600 -0.015 0.000 1.369 503 S CA 0.862 59.055 58.200 -0.011 0.000 0.975 503 S CB -0.112 63.082 63.200 -0.009 0.000 0.937 503 S HN 1.419 nan 8.310 nan 0.000 0.584 504 S N -0.021 115.670 115.700 -0.015 0.000 2.488 504 S HA -0.130 4.338 4.470 -0.003 0.000 0.258 504 S C 0.704 175.293 174.600 -0.018 0.000 1.281 504 S CA 0.961 59.151 58.200 -0.017 0.000 1.334 504 S CB -1.307 61.881 63.200 -0.020 0.000 1.647 504 S HN 0.760 nan 8.310 nan 0.000 0.635 505 R N 0.898 121.388 120.500 -0.017 0.000 2.419 505 R HA 0.617 4.955 4.340 -0.003 0.000 0.235 505 R C 2.546 178.837 176.300 -0.015 0.000 0.899 505 R CA 0.871 56.962 56.100 -0.016 0.000 1.048 505 R CB -1.193 29.098 30.300 -0.015 0.000 1.182 505 R HN 0.641 nan 8.270 nan 0.000 0.544 506 A N 2.315 125.127 122.820 -0.014 0.000 1.923 506 A HA -0.189 4.129 4.320 -0.003 0.000 0.222 506 A C 1.389 178.963 177.584 -0.016 0.000 1.258 506 A CA 1.922 53.951 52.037 -0.013 0.000 0.670 506 A CB -0.840 18.154 19.000 -0.010 0.000 0.834 506 A HN 0.365 nan 8.150 nan 0.000 0.470 507 A N -1.003 121.808 122.820 -0.016 0.000 2.520 507 A HA 0.394 4.712 4.320 -0.003 0.000 0.235 507 A C 1.280 178.850 177.584 -0.024 0.000 1.065 507 A CA 0.667 52.693 52.037 -0.018 0.000 0.764 507 A CB -0.557 18.434 19.000 -0.016 0.000 1.002 507 A HN 2.164 nan 8.150 nan 0.000 0.502 508 V N 0.191 120.087 119.914 -0.030 0.000 5.479 508 V HA -0.275 3.843 4.120 -0.003 0.000 0.289 508 V C 1.091 177.152 176.094 -0.054 0.000 0.595 508 V CA 1.848 64.123 62.300 -0.042 0.000 0.649 508 V CB -2.535 29.268 31.823 -0.034 0.000 0.390 508 V HN 2.132 nan 8.190 nan 0.000 0.974 509 G N 0.853 109.622 108.800 -0.051 0.000 2.552 509 G HA2 -0.146 3.812 3.960 -0.003 0.000 0.216 509 G HA3 -0.146 3.812 3.960 -0.003 0.000 0.216 509 G C 0.507 175.343 174.900 -0.107 0.000 1.240 509 G CA 1.036 46.102 45.100 -0.057 0.000 0.796 509 G HN 0.773 nan 8.290 nan 0.000 0.568 510 N N 0.985 119.604 118.700 -0.135 0.000 2.472 510 N HA 0.413 5.151 4.740 -0.003 0.000 0.277 510 N C -0.232 175.022 175.510 -0.427 0.000 1.081 510 N CA 0.060 52.940 53.050 -0.283 0.000 0.973 510 N CB 1.551 39.923 38.487 -0.192 0.000 1.105 510 N HN 0.109 nan 8.380 nan 0.000 0.470 511 K N 1.170 121.193 120.400 -0.629 0.000 2.400 511 K HA 0.498 4.816 4.320 -0.003 0.000 0.246 511 K C -0.679 175.311 176.600 -1.016 0.000 0.995 511 K CA -0.599 55.261 56.287 -0.712 0.000 0.840 511 K CB 2.368 34.461 32.500 -0.678 0.000 1.293 511 K HN 0.486 nan 8.250 nan 0.000 0.445 512 M N 2.150 121.230 119.600 -0.868 0.000 2.090 512 M HA 0.356 4.835 4.480 -0.003 0.000 0.277 512 M C -1.676 174.341 176.300 -0.471 0.000 0.935 512 M CA -0.642 54.250 55.300 -0.681 0.000 0.966 512 M CB 0.653 33.025 32.600 -0.380 0.000 1.635 512 M HN 0.322 nan 8.290 nan 0.000 0.446 513 F N 4.541 124.423 119.950 -0.113 0.000 2.411 513 F HA 0.526 5.052 4.527 -0.003 0.000 0.355 513 F C -0.047 175.735 175.800 -0.031 0.000 1.117 513 F CA -0.754 57.205 58.000 -0.068 0.000 1.139 513 F CB 0.718 39.675 39.000 -0.072 0.000 1.120 513 F HN 0.149 nan 8.300 nan 0.000 0.493 514 V N 3.508 123.528 119.914 0.178 0.000 2.667 514 V HA 0.669 4.787 4.120 -0.003 0.000 0.308 514 V C -0.536 175.622 176.094 0.106 0.000 1.048 514 V CA -1.225 61.148 62.300 0.122 0.000 0.928 514 V CB 2.069 33.953 31.823 0.102 0.000 1.004 514 V HN 0.741 nan 8.190 nan 0.000 0.444 515 K N 1.927 122.394 120.400 0.112 0.000 2.565 515 K HA 0.835 5.154 4.320 -0.003 0.000 0.251 515 K C -0.523 176.169 176.600 0.155 0.000 0.956 515 K CA -0.460 55.894 56.287 0.111 0.000 0.809 515 K CB 2.189 34.744 32.500 0.091 0.000 1.267 515 K HN 0.984 nan 8.250 nan 0.000 0.438 516 G N 1.119 110.012 108.800 0.154 0.000 2.578 516 G HA2 0.589 4.548 3.960 -0.003 0.000 0.302 516 G HA3 0.589 4.548 3.960 -0.003 0.000 0.302 516 G C -1.438 173.564 174.900 0.170 0.000 1.243 516 G CA -0.563 44.657 45.100 0.200 0.000 0.843 516 G HN 0.745 nan 8.290 nan 0.000 0.486 517 A N 0.603 123.526 122.820 0.172 0.000 2.488 517 A HA 0.576 4.894 4.320 -0.003 0.000 0.249 517 A C -0.937 176.708 177.584 0.101 0.000 1.083 517 A CA -0.193 51.925 52.037 0.136 0.000 0.768 517 A CB 0.242 19.322 19.000 0.132 0.000 1.017 517 A HN 0.304 nan 8.150 nan 0.000 0.496 518 P HA -0.194 nan 4.420 nan 0.000 0.212 518 P C 0.941 178.259 177.300 0.030 0.000 1.178 518 P CA 1.674 64.811 63.100 0.062 0.000 0.915 518 P CB 0.139 31.871 31.700 0.053 0.000 0.788 519 E N -0.390 119.824 120.200 0.024 0.000 2.097 519 E HA -0.143 4.205 4.350 -0.003 0.000 0.196 519 E C 2.168 178.777 176.600 0.015 0.000 1.000 519 E CA 1.678 58.083 56.400 0.007 0.000 0.804 519 E CB -1.617 28.090 29.700 0.013 0.000 0.740 519 E HN 0.245 nan 8.360 nan 0.000 0.454 520 G N 0.966 109.787 108.800 0.034 0.000 2.771 520 G HA2 -0.308 3.651 3.960 -0.003 0.000 0.214 520 G HA3 -0.308 3.651 3.960 -0.003 0.000 0.214 520 G C 1.789 176.708 174.900 0.032 0.000 1.331 520 G CA 2.144 47.263 45.100 0.033 0.000 0.812 520 G HN 0.341 nan 8.290 nan 0.000 0.628 521 V N 0.216 120.161 119.914 0.051 0.000 2.324 521 V HA -0.222 3.897 4.120 -0.003 0.000 0.250 521 V C 2.739 178.867 176.094 0.056 0.000 1.060 521 V CA 2.287 64.625 62.300 0.064 0.000 1.042 521 V CB -0.656 31.225 31.823 0.097 0.000 0.650 521 V HN 0.462 nan 8.190 nan 0.000 0.450 522 I N 0.640 121.230 120.570 0.033 0.000 2.423 522 I HA -0.189 3.979 4.170 -0.003 0.000 0.254 522 I C 2.065 178.168 176.117 -0.024 0.000 1.151 522 I CA 1.957 63.248 61.300 -0.015 0.000 1.421 522 I CB -0.665 37.271 38.000 -0.106 0.000 1.079 522 I HN 0.340 nan 8.210 nan 0.000 0.431 523 D N 0.713 121.105 120.400 -0.014 0.000 2.371 523 D HA -0.052 4.587 4.640 -0.003 0.000 0.221 523 D C 1.787 178.079 176.300 -0.014 0.000 0.986 523 D CA 0.722 54.710 54.000 -0.019 0.000 0.899 523 D CB -0.009 40.783 40.800 -0.014 0.000 0.902 523 D HN 0.308 nan 8.370 nan 0.000 0.530 524 R N -0.864 119.638 120.500 0.003 0.000 2.432 524 R HA 0.241 4.580 4.340 -0.003 0.000 0.260 524 R C -0.211 176.093 176.300 0.007 0.000 0.935 524 R CA -0.144 55.961 56.100 0.009 0.000 1.080 524 R CB 0.559 30.877 30.300 0.030 0.000 1.155 524 R HN 0.018 nan 8.270 nan 0.000 0.531 525 C N 0.758 120.060 119.300 0.002 0.000 2.273 525 C HA 0.257 4.715 4.460 -0.003 0.000 0.328 525 C C 1.026 175.964 174.990 -0.086 0.000 1.275 525 C CA -0.613 58.409 59.018 0.006 0.000 1.704 525 C CB 0.459 28.250 27.740 0.085 0.000 2.326 525 C HN 0.547 nan 8.230 nan 0.000 0.517 526 N N 0.512 119.074 118.700 -0.230 0.000 2.220 526 N HA 0.175 4.913 4.740 -0.003 0.000 0.195 526 N C -0.824 174.287 175.510 -0.666 0.000 1.123 526 N CA 0.298 53.048 53.050 -0.501 0.000 0.874 526 N CB 0.466 38.495 38.487 -0.763 0.000 0.995 526 N HN 0.659 nan 8.380 nan 0.000 0.498 527 Y N -0.386 119.957 120.300 0.073 0.000 2.665 527 Y HA 0.615 5.163 4.550 -0.003 0.000 0.336 527 Y C -0.348 175.626 175.900 0.123 0.000 1.085 527 Y CA -1.666 56.483 58.100 0.080 0.000 1.096 527 Y CB 1.091 39.590 38.460 0.064 0.000 1.301 527 Y HN -0.309 nan 8.280 nan 0.000 0.493 528 V N -0.943 119.159 119.914 0.314 0.000 2.777 528 V HA 0.622 4.741 4.120 -0.003 0.000 0.306 528 V C -1.171 175.033 176.094 0.183 0.000 1.112 528 V CA -1.186 61.278 62.300 0.274 0.000 0.917 528 V CB 1.853 33.847 31.823 0.285 0.000 1.018 528 V HN 0.820 nan 8.190 nan 0.000 0.426 529 R N 3.566 124.133 120.500 0.112 0.000 2.196 529 R HA 0.651 4.989 4.340 -0.003 0.000 0.340 529 R C -0.307 176.032 176.300 0.065 0.000 1.043 529 R CA -0.267 55.869 56.100 0.059 0.000 0.883 529 R CB 1.411 31.715 30.300 0.006 0.000 1.078 529 R HN 1.125 nan 8.270 nan 0.000 0.462 530 V N 3.483 123.445 119.914 0.081 0.000 2.218 530 V HA 0.599 4.718 4.120 -0.003 0.000 0.261 530 V C 0.837 176.975 176.094 0.073 0.000 1.142 530 V CA 0.237 62.593 62.300 0.093 0.000 0.965 530 V CB -0.009 31.874 31.823 0.101 0.000 1.190 530 V HN 1.058 nan 8.190 nan 0.000 0.478 531 G N 4.778 113.620 108.800 0.071 0.000 2.972 531 G HA2 -0.291 3.667 3.960 -0.003 0.000 0.265 531 G HA3 -0.291 3.667 3.960 -0.003 0.000 0.265 531 G C 0.633 175.554 174.900 0.036 0.000 1.506 531 G CA 0.467 45.603 45.100 0.060 0.000 1.016 531 G HN 0.880 nan 8.290 nan 0.000 0.563 532 T N 1.564 116.134 114.554 0.028 0.000 2.959 532 T HA 0.378 4.726 4.350 -0.003 0.000 0.254 532 T C 1.316 176.023 174.700 0.011 0.000 1.003 532 T CA 1.642 63.752 62.100 0.017 0.000 0.950 532 T CB 0.208 69.085 68.868 0.014 0.000 1.090 532 T HN 1.245 nan 8.240 nan 0.000 0.503 533 T N 0.712 115.277 114.554 0.018 0.000 2.771 533 T HA 0.634 4.983 4.350 -0.003 0.000 0.290 533 T C -0.101 174.609 174.700 0.016 0.000 1.005 533 T CA -0.797 61.311 62.100 0.012 0.000 0.944 533 T CB 1.590 70.471 68.868 0.021 0.000 1.147 533 T HN 0.249 nan 8.240 nan 0.000 0.534 534 R N -0.950 119.556 120.500 0.010 0.000 2.740 534 R HA 0.693 5.031 4.340 -0.003 0.000 0.273 534 R C -2.269 174.062 176.300 0.051 0.000 0.998 534 R CA -0.796 55.316 56.100 0.019 0.000 0.900 534 R CB 2.097 32.358 30.300 -0.065 0.000 1.223 534 R HN 0.605 nan 8.270 nan 0.000 0.466 535 V N 3.004 122.992 119.914 0.123 0.000 3.048 535 V HA 0.436 4.555 4.120 -0.003 0.000 0.303 535 V C -2.451 173.792 176.094 0.249 0.000 1.214 535 V CA -1.615 60.777 62.300 0.153 0.000 0.984 535 V CB 2.390 34.285 31.823 0.120 0.000 1.054 535 V HN 0.820 nan 8.190 nan 0.000 0.430 536 P HA 0.030 nan 4.420 nan 0.000 0.261 536 P C -0.217 177.145 177.300 0.104 0.000 1.203 536 P CA -0.146 63.078 63.100 0.206 0.000 0.767 536 P CB 0.434 32.220 31.700 0.144 0.000 0.785 537 M N 5.280 124.915 119.600 0.058 0.000 2.620 537 M HA 0.011 4.489 4.480 -0.003 0.000 0.378 537 M C -0.244 176.058 176.300 0.002 0.000 1.764 537 M CA 0.782 56.098 55.300 0.028 0.000 1.103 537 M CB -1.027 31.563 32.600 -0.017 0.000 2.145 537 M HN 0.378 nan 8.290 nan 0.000 0.473 538 T N 2.094 116.658 114.554 0.016 0.000 2.943 538 T HA 0.681 5.029 4.350 -0.003 0.000 0.284 538 T C 1.265 175.956 174.700 -0.015 0.000 1.015 538 T CA -0.578 61.523 62.100 0.002 0.000 1.042 538 T CB 1.456 70.334 68.868 0.016 0.000 1.055 538 T HN 0.695 nan 8.240 nan 0.000 0.500 539 G N 1.931 110.717 108.800 -0.023 0.000 2.529 539 G HA2 -0.166 3.792 3.960 -0.003 0.000 0.219 539 G HA3 -0.166 3.792 3.960 -0.003 0.000 0.219 539 G C -0.332 174.545 174.900 -0.039 0.000 1.177 539 G CA 1.055 46.134 45.100 -0.034 0.000 0.773 539 G HN 0.724 nan 8.290 nan 0.000 0.573 540 P HA -0.096 nan 4.420 nan 0.000 0.214 540 P C 2.047 179.325 177.300 -0.036 0.000 1.163 540 P CA 1.722 64.796 63.100 -0.042 0.000 0.889 540 P CB -0.381 31.294 31.700 -0.042 0.000 0.790 541 V N 0.679 120.584 119.914 -0.016 0.000 2.490 541 V HA -0.197 3.921 4.120 -0.003 0.000 0.250 541 V C 2.862 178.929 176.094 -0.045 0.000 1.061 541 V CA 2.010 64.307 62.300 -0.005 0.000 1.064 541 V CB -1.342 30.501 31.823 0.034 0.000 0.670 541 V HN 0.151 nan 8.190 nan 0.000 0.461 542 K N -0.201 120.162 120.400 -0.061 0.000 2.103 542 K HA -0.145 4.173 4.320 -0.003 0.000 0.204 542 K C 2.233 178.773 176.600 -0.099 0.000 1.052 542 K CA 1.076 57.304 56.287 -0.097 0.000 0.945 542 K CB 0.008 32.459 32.500 -0.082 0.000 0.722 542 K HN 0.393 nan 8.250 nan 0.000 0.443 543 E N 0.992 121.145 120.200 -0.079 0.000 2.031 543 E HA -0.209 4.139 4.350 -0.003 0.000 0.193 543 E C 1.896 178.438 176.600 -0.098 0.000 0.994 543 E CA 1.183 57.535 56.400 -0.080 0.000 0.800 543 E CB -0.213 29.446 29.700 -0.069 0.000 0.752 543 E HN 0.106 nan 8.360 nan 0.000 0.447 544 K N 1.041 121.383 120.400 -0.096 0.000 2.103 544 K HA -0.068 4.250 4.320 -0.003 0.000 0.207 544 K C 2.060 178.556 176.600 -0.173 0.000 1.048 544 K CA 0.862 57.076 56.287 -0.123 0.000 0.930 544 K CB -0.349 32.095 32.500 -0.093 0.000 0.716 544 K HN 0.112 nan 8.250 nan 0.000 0.444 545 I N -0.092 120.396 120.570 -0.137 0.000 2.233 545 I HA -0.230 3.939 4.170 -0.003 0.000 0.243 545 I C 1.859 177.898 176.117 -0.130 0.000 1.093 545 I CA 0.976 62.210 61.300 -0.111 0.000 1.380 545 I CB -0.201 37.679 38.000 -0.200 0.000 1.067 545 I HN 0.084 nan 8.210 nan 0.000 0.413 546 L N 0.555 121.699 121.223 -0.131 0.000 2.362 546 L HA -0.129 4.209 4.340 -0.003 0.000 0.219 546 L C 2.735 179.538 176.870 -0.112 0.000 1.134 546 L CA 1.055 55.831 54.840 -0.106 0.000 0.807 546 L CB -0.538 41.469 42.059 -0.087 0.000 0.927 546 L HN 0.366 nan 8.230 nan 0.000 0.447 547 S N -0.450 115.165 115.700 -0.141 0.000 2.362 547 S HA -0.103 4.366 4.470 -0.003 0.000 0.221 547 S C 1.869 176.359 174.600 -0.183 0.000 1.032 547 S CA 0.968 59.086 58.200 -0.136 0.000 0.973 547 S CB -0.490 62.631 63.200 -0.133 0.000 0.849 547 S HN 0.142 nan 8.310 nan 0.000 0.465 548 V N 2.551 122.274 119.914 -0.319 0.000 2.515 548 V HA -0.055 4.063 4.120 -0.003 0.000 0.250 548 V C 2.512 178.264 176.094 -0.570 0.000 1.058 548 V CA 1.149 63.132 62.300 -0.527 0.000 1.064 548 V CB -0.808 30.465 31.823 -0.917 0.000 0.675 548 V HN 0.486 nan 8.190 nan 0.000 0.461 549 I N 0.307 120.680 120.570 -0.329 0.000 2.361 549 I HA -0.223 3.945 4.170 -0.003 0.000 0.251 549 I C 2.374 178.478 176.117 -0.022 0.000 1.133 549 I CA 1.748 62.961 61.300 -0.144 0.000 1.413 549 I CB -0.882 37.093 38.000 -0.040 0.000 1.073 549 I HN 0.370 nan 8.210 nan 0.000 0.424 550 K N 0.940 121.318 120.400 -0.037 0.000 2.186 550 K HA -0.075 4.243 4.320 -0.003 0.000 0.202 550 K C 1.907 178.553 176.600 0.076 0.000 1.052 550 K CA 0.599 56.899 56.287 0.023 0.000 0.965 550 K CB 0.199 32.695 32.500 -0.006 0.000 0.746 550 K HN 0.251 nan 8.250 nan 0.000 0.457 551 E N -0.675 119.575 120.200 0.084 0.000 2.150 551 E HA -0.182 4.166 4.350 -0.003 0.000 0.193 551 E C 1.340 178.145 176.600 0.342 0.000 0.985 551 E CA 0.911 57.417 56.400 0.177 0.000 0.814 551 E CB -0.007 29.808 29.700 0.192 0.000 0.752 551 E HN 0.393 nan 8.360 nan 0.000 0.466 552 W N 0.110 121.422 121.300 0.019 0.000 2.476 552 W HA 0.119 4.777 4.660 -0.003 0.000 0.281 552 W C 2.302 178.842 176.519 0.035 0.000 1.230 552 W CA 0.957 58.324 57.345 0.036 0.000 1.287 552 W CB -0.781 28.721 29.460 0.070 0.000 1.108 552 W HN 0.070 nan 8.180 nan 0.000 0.567 553 G N -1.806 107.147 108.800 0.255 0.000 2.656 553 G HA2 -0.037 3.921 3.960 -0.003 0.000 0.211 553 G HA3 -0.037 3.921 3.960 -0.003 0.000 0.211 553 G C 1.389 176.348 174.900 0.099 0.000 1.137 553 G CA 1.126 46.319 45.100 0.154 0.000 0.802 553 G HN 0.151 nan 8.290 nan 0.000 0.527 554 T N 0.359 114.969 114.554 0.093 0.000 3.039 554 T HA 0.269 4.618 4.350 -0.003 0.000 0.250 554 T C 1.570 176.300 174.700 0.050 0.000 1.052 554 T CA 0.377 62.510 62.100 0.055 0.000 1.125 554 T CB 0.221 69.111 68.868 0.037 0.000 0.908 554 T HN 0.308 nan 8.240 nan 0.000 0.473 555 G N 0.698 109.540 108.800 0.070 0.000 2.667 555 G HA2 0.169 4.127 3.960 -0.003 0.000 0.250 555 G HA3 0.169 4.127 3.960 -0.003 0.000 0.250 555 G C 0.623 175.541 174.900 0.030 0.000 1.212 555 G CA -0.619 44.511 45.100 0.051 0.000 0.874 555 G HN 0.301 nan 8.290 nan 0.000 0.561 556 R N -0.305 120.203 120.500 0.014 0.000 2.294 556 R HA -0.126 4.212 4.340 -0.003 0.000 0.250 556 R C 1.497 177.791 176.300 -0.010 0.000 1.181 556 R CA 1.491 57.592 56.100 0.001 0.000 1.016 556 R CB -0.048 30.249 30.300 -0.006 0.000 0.869 556 R HN 0.545 nan 8.270 nan 0.000 0.476 557 D N 0.290 120.680 120.400 -0.017 0.000 2.117 557 D HA -0.101 4.537 4.640 -0.003 0.000 0.198 557 D C 0.653 176.943 176.300 -0.017 0.000 0.982 557 D CA 1.902 55.875 54.000 -0.044 0.000 0.828 557 D CB -0.194 40.549 40.800 -0.095 0.000 0.967 557 D HN 0.335 nan 8.370 nan 0.000 0.464 558 T N -1.060 113.503 114.554 0.016 0.000 3.803 558 T HA -0.230 4.118 4.350 -0.003 0.000 0.376 558 T C 0.119 174.840 174.700 0.035 0.000 0.761 558 T CA 0.134 62.253 62.100 0.031 0.000 1.962 558 T CB -2.572 66.307 68.868 0.018 0.000 1.780 558 T HN 0.147 nan 8.240 nan 0.000 0.771 559 L N 0.298 121.557 121.223 0.060 0.000 2.325 559 L HA 0.576 4.914 4.340 -0.003 0.000 0.279 559 L C 1.009 177.951 176.870 0.120 0.000 1.054 559 L CA -1.197 53.688 54.840 0.074 0.000 0.804 559 L CB 1.417 43.516 42.059 0.065 0.000 1.200 559 L HN 0.403 nan 8.230 nan 0.000 0.436 560 R N 1.893 122.455 120.500 0.103 0.000 2.308 560 R HA 0.409 4.747 4.340 -0.003 0.000 0.305 560 R C -1.371 175.019 176.300 0.149 0.000 1.053 560 R CA -0.390 55.776 56.100 0.110 0.000 0.957 560 R CB 0.855 31.203 30.300 0.080 0.000 1.022 560 R HN 0.635 nan 8.270 nan 0.000 0.461 561 C N 5.678 125.075 119.300 0.161 0.000 2.382 561 C HA 0.488 4.946 4.460 -0.003 0.000 0.327 561 C C -0.330 174.747 174.990 0.146 0.000 1.250 561 C CA -0.750 58.381 59.018 0.189 0.000 1.707 561 C CB 0.724 28.594 27.740 0.217 0.000 2.272 561 C HN 0.709 nan 8.230 nan 0.000 0.506 562 L N 3.307 124.614 121.223 0.140 0.000 2.319 562 L HA 0.556 4.895 4.340 -0.003 0.000 0.281 562 L C 0.380 177.310 176.870 0.100 0.000 1.005 562 L CA -0.136 54.772 54.840 0.113 0.000 0.828 562 L CB 1.263 43.377 42.059 0.092 0.000 1.227 562 L HN 0.824 nan 8.230 nan 0.000 0.415 563 A N 5.865 128.753 122.820 0.114 0.000 2.362 563 A HA 0.647 4.965 4.320 -0.003 0.000 0.276 563 A C -0.415 177.222 177.584 0.088 0.000 1.153 563 A CA -0.318 51.803 52.037 0.140 0.000 0.813 563 A CB 0.307 19.418 19.000 0.184 0.000 1.081 563 A HN 0.665 nan 8.150 nan 0.000 0.507 564 L N 2.314 123.535 121.223 -0.003 0.000 2.313 564 L HA 0.711 5.049 4.340 -0.003 0.000 0.283 564 L C 0.442 177.243 176.870 -0.115 0.000 1.013 564 L CA -0.256 54.546 54.840 -0.063 0.000 0.816 564 L CB 1.350 43.326 42.059 -0.138 0.000 1.236 564 L HN 0.862 nan 8.230 nan 0.000 0.419 565 A N 2.393 125.208 122.820 -0.009 0.000 2.548 565 A HA 0.914 5.232 4.320 -0.003 0.000 0.282 565 A C -0.697 176.937 177.584 0.083 0.000 1.288 565 A CA -0.564 51.481 52.037 0.013 0.000 0.748 565 A CB 2.300 21.367 19.000 0.112 0.000 1.339 565 A HN 0.514 nan 8.150 nan 0.000 0.475 566 T N -0.676 113.942 114.554 0.106 0.000 3.012 566 T HA 0.503 4.852 4.350 -0.003 0.000 0.330 566 T C -1.555 173.194 174.700 0.082 0.000 1.321 566 T CA -0.507 61.678 62.100 0.142 0.000 1.067 566 T CB 1.163 70.164 68.868 0.222 0.000 1.235 566 T HN 0.750 nan 8.240 nan 0.000 0.479 567 R N 3.226 123.731 120.500 0.009 0.000 2.215 567 R HA 0.308 4.646 4.340 -0.003 0.000 0.337 567 R C 0.417 176.676 176.300 -0.067 0.000 1.010 567 R CA -0.515 55.586 56.100 0.001 0.000 0.871 567 R CB 0.404 30.698 30.300 -0.009 0.000 1.134 567 R HN 0.664 nan 8.270 nan 0.000 0.477 568 D N 1.413 121.801 120.400 -0.021 0.000 2.097 568 D HA -0.119 4.519 4.640 -0.003 0.000 0.195 568 D C 0.492 176.743 176.300 -0.081 0.000 0.989 568 D CA 1.707 55.671 54.000 -0.060 0.000 0.827 568 D CB 0.260 41.027 40.800 -0.055 0.000 0.966 568 D HN 0.561 nan 8.370 nan 0.000 0.456 569 T N 0.413 114.944 114.554 -0.039 0.000 3.254 569 T HA 0.382 4.730 4.350 -0.003 0.000 0.385 569 T C -2.582 172.112 174.700 -0.010 0.000 1.528 569 T CA -1.750 60.332 62.100 -0.029 0.000 1.212 569 T CB 1.586 70.454 68.868 0.000 0.000 1.145 569 T HN -0.106 nan 8.240 nan 0.000 0.631 570 P HA 0.295 nan 4.420 nan 0.000 0.275 570 P C -2.277 175.076 177.300 0.089 0.000 1.227 570 P CA -1.433 61.660 63.100 -0.012 0.000 0.781 570 P CB 0.289 31.867 31.700 -0.203 0.000 0.906 571 P HA 0.003 nan 4.420 nan 0.000 0.266 571 P C -0.086 177.273 177.300 0.098 0.000 1.193 571 P CA 0.215 63.368 63.100 0.088 0.000 0.770 571 P CB 0.562 32.300 31.700 0.063 0.000 0.836 572 K N 1.823 122.256 120.400 0.056 0.000 2.524 572 K HA -0.101 4.218 4.320 -0.003 0.000 0.279 572 K C 1.734 178.314 176.600 -0.034 0.000 0.993 572 K CA 0.188 56.499 56.287 0.039 0.000 1.030 572 K CB 0.320 32.831 32.500 0.019 0.000 0.891 572 K HN 0.422 nan 8.250 nan 0.000 0.488 573 R N 2.747 123.207 120.500 -0.067 0.000 2.112 573 R HA -0.235 4.104 4.340 -0.003 0.000 0.242 573 R C 1.893 178.092 176.300 -0.169 0.000 1.137 573 R CA 2.310 58.277 56.100 -0.223 0.000 0.944 573 R CB -0.013 30.180 30.300 -0.177 0.000 0.857 573 R HN 0.771 nan 8.270 nan 0.000 0.435 574 E N 0.167 120.308 120.200 -0.099 0.000 2.338 574 E HA -0.172 4.176 4.350 -0.003 0.000 0.197 574 E C 0.581 177.134 176.600 -0.078 0.000 1.007 574 E CA 0.934 57.283 56.400 -0.084 0.000 0.849 574 E CB -0.044 29.628 29.700 -0.048 0.000 0.774 574 E HN 0.438 nan 8.360 nan 0.000 0.506 575 E N 0.467 120.622 120.200 -0.076 0.000 2.463 575 E HA 0.174 4.522 4.350 -0.003 0.000 0.191 575 E C 0.246 176.796 176.600 -0.084 0.000 1.083 575 E CA 0.201 56.575 56.400 -0.043 0.000 0.872 575 E CB -0.090 29.605 29.700 -0.008 0.000 0.966 575 E HN 0.411 nan 8.360 nan 0.000 0.491 576 M N 0.618 120.098 119.600 -0.200 0.000 2.311 576 M HA 0.263 4.741 4.480 -0.003 0.000 0.325 576 M C -0.560 175.655 176.300 -0.142 0.000 1.061 576 M CA -0.769 54.313 55.300 -0.363 0.000 0.957 576 M CB 2.721 34.915 32.600 -0.676 0.000 1.646 576 M HN -0.347 nan 8.290 nan 0.000 0.434 577 V N 5.313 125.308 119.914 0.136 0.000 2.304 577 V HA 0.173 4.291 4.120 -0.003 0.000 0.262 577 V C 0.702 176.904 176.094 0.181 0.000 1.061 577 V CA -0.407 61.957 62.300 0.107 0.000 0.872 577 V CB 0.074 31.972 31.823 0.126 0.000 1.077 577 V HN 0.797 nan 8.190 nan 0.000 0.480 578 L N 3.227 124.431 121.223 -0.032 0.000 2.798 578 L HA 0.205 4.543 4.340 -0.003 0.000 0.254 578 L C 0.408 177.390 176.870 0.188 0.000 1.176 578 L CA 0.231 55.054 54.840 -0.028 0.000 0.991 578 L CB -0.894 40.886 42.059 -0.465 0.000 1.225 578 L HN 0.806 nan 8.230 nan 0.000 0.420 579 D N -1.358 119.128 120.400 0.143 0.000 3.007 579 D HA 0.120 4.759 4.640 -0.003 0.000 0.363 579 D C -0.637 175.370 176.300 -0.488 0.000 1.474 579 D CA -0.494 53.468 54.000 -0.062 0.000 0.767 579 D CB 0.127 40.980 40.800 0.088 0.000 1.227 579 D HN 0.236 nan 8.370 nan 0.000 0.471 580 D N -1.250 118.730 120.400 -0.701 0.000 2.411 580 D HA 0.130 4.769 4.640 -0.003 0.000 0.239 580 D C 0.511 176.054 176.300 -1.262 0.000 1.307 580 D CA -0.619 52.912 54.000 -0.781 0.000 0.930 580 D CB 0.639 41.192 40.800 -0.412 0.000 1.395 580 D HN -0.146 nan 8.370 nan 0.000 0.536 581 S N 0.422 115.392 115.700 -1.217 0.000 2.434 581 S HA -0.302 4.166 4.470 -0.003 0.000 0.243 581 S C 1.924 176.099 174.600 -0.709 0.000 1.045 581 S CA 1.952 59.546 58.200 -1.009 0.000 1.019 581 S CB -0.250 62.780 63.200 -0.283 0.000 0.811 581 S HN 0.708 nan 8.310 nan 0.000 0.485 582 S N 1.826 117.202 115.700 -0.539 0.000 2.368 582 S HA -0.054 4.414 4.470 -0.003 0.000 0.225 582 S C 1.684 176.075 174.600 -0.348 0.000 1.030 582 S CA 0.673 58.669 58.200 -0.340 0.000 0.999 582 S CB -0.314 62.735 63.200 -0.253 0.000 0.844 582 S HN 0.517 nan 8.310 nan 0.000 0.459 583 R N -0.368 119.851 120.500 -0.468 0.000 2.246 583 R HA 0.239 4.577 4.340 -0.003 0.000 0.199 583 R C 1.467 177.482 176.300 -0.474 0.000 0.984 583 R CA 0.385 56.196 56.100 -0.482 0.000 1.015 583 R CB -0.288 29.689 30.300 -0.538 0.000 0.930 583 R HN 0.364 nan 8.270 nan 0.000 0.475 584 F N 1.076 120.855 119.950 -0.285 0.000 2.202 584 F HA -0.179 4.346 4.527 -0.003 0.000 0.301 584 F C 2.274 178.032 175.800 -0.069 0.000 1.082 584 F CA 0.805 58.760 58.000 -0.076 0.000 1.313 584 F CB -0.710 38.311 39.000 0.035 0.000 1.024 584 F HN 0.014 nan 8.300 nan 0.000 0.495 585 M N -0.019 119.617 119.600 0.060 0.000 2.159 585 M HA -0.218 4.260 4.480 -0.003 0.000 0.263 585 M C 1.733 178.037 176.300 0.006 0.000 1.063 585 M CA 1.738 57.053 55.300 0.025 0.000 1.110 585 M CB -0.170 32.414 32.600 -0.027 0.000 1.374 585 M HN 0.003 nan 8.290 nan 0.000 0.411 586 E N -0.496 119.652 120.200 -0.087 0.000 2.208 586 E HA -0.158 4.190 4.350 -0.003 0.000 0.193 586 E C 1.393 178.035 176.600 0.070 0.000 0.988 586 E CA 1.198 57.558 56.400 -0.067 0.000 0.828 586 E CB -0.240 29.360 29.700 -0.166 0.000 0.763 586 E HN 0.568 nan 8.360 nan 0.000 0.478 587 Y N 0.614 120.982 120.300 0.114 0.000 2.516 587 Y HA 0.110 4.658 4.550 -0.003 0.000 0.291 587 Y C 0.693 176.653 175.900 0.099 0.000 1.131 587 Y CA 0.363 58.536 58.100 0.122 0.000 1.281 587 Y CB 0.011 38.570 38.460 0.165 0.000 1.013 587 Y HN 0.017 nan 8.280 nan 0.000 0.554 588 E N 0.721 121.058 120.200 0.228 0.000 2.462 588 E HA 0.141 4.489 4.350 -0.003 0.000 0.255 588 E C 0.169 176.832 176.600 0.105 0.000 1.311 588 E CA -0.188 56.301 56.400 0.148 0.000 1.629 588 E CB 0.055 29.830 29.700 0.124 0.000 1.510 588 E HN 0.271 nan 8.360 nan 0.000 0.438 589 T N -3.185 111.433 114.554 0.107 0.000 2.858 589 T HA 0.305 4.653 4.350 -0.003 0.000 0.285 589 T C 0.040 174.786 174.700 0.077 0.000 1.052 589 T CA -0.750 61.395 62.100 0.075 0.000 1.009 589 T CB 1.426 70.330 68.868 0.060 0.000 1.241 589 T HN 0.048 nan 8.240 nan 0.000 0.542 590 D N -0.255 120.174 120.400 0.047 0.000 2.737 590 D HA -0.127 4.511 4.640 -0.003 0.000 0.238 590 D C -0.713 175.654 176.300 0.113 0.000 1.157 590 D CA 0.558 54.586 54.000 0.047 0.000 0.694 590 D CB -1.641 39.215 40.800 0.092 0.000 1.021 590 D HN 0.633 nan 8.370 nan 0.000 0.420 591 L N -0.147 121.130 121.223 0.090 0.000 2.358 591 L HA 0.648 4.986 4.340 -0.003 0.000 0.268 591 L C 1.066 178.055 176.870 0.198 0.000 1.032 591 L CA -0.491 54.434 54.840 0.142 0.000 0.805 591 L CB 1.765 43.893 42.059 0.116 0.000 1.253 591 L HN 0.257 nan 8.230 nan 0.000 0.452 592 T N -0.813 113.880 114.554 0.233 0.000 2.809 592 T HA 0.370 4.718 4.350 -0.003 0.000 0.296 592 T C -0.553 174.265 174.700 0.197 0.000 1.015 592 T CA -0.529 61.734 62.100 0.272 0.000 0.954 592 T CB 0.406 69.441 68.868 0.279 0.000 0.950 592 T HN 0.305 nan 8.240 nan 0.000 0.450 593 F N 5.643 125.638 119.950 0.075 0.000 2.608 593 F HA 0.353 4.878 4.527 -0.003 0.000 0.380 593 F C 1.164 176.975 175.800 0.017 0.000 1.083 593 F CA 0.303 58.321 58.000 0.030 0.000 1.266 593 F CB 0.912 39.922 39.000 0.017 0.000 1.076 593 F HN 0.498 nan 8.300 nan 0.000 0.574 594 V N 3.695 123.071 119.914 -0.897 0.000 3.151 594 V HA 0.718 4.836 4.120 -0.003 0.000 0.241 594 V C 0.551 175.987 176.094 -1.096 0.000 1.173 594 V CA 0.889 62.752 62.300 -0.727 0.000 1.154 594 V CB -0.032 31.577 31.823 -0.357 0.000 0.898 594 V HN 1.298 nan 8.190 nan 0.000 0.473 595 G N -0.190 107.686 108.800 -1.539 0.000 2.384 595 G HA2 0.478 4.436 3.960 -0.003 0.000 0.300 595 G HA3 0.478 4.436 3.960 -0.003 0.000 0.300 595 G C -1.349 173.199 174.900 -0.587 0.000 1.582 595 G CA 0.055 44.513 45.100 -1.070 0.000 0.875 595 G HN 1.342 nan 8.290 nan 0.000 0.628 596 V N -1.001 118.580 119.914 -0.553 0.000 2.732 596 V HA 0.918 5.036 4.120 -0.003 0.000 0.310 596 V C -0.585 175.493 176.094 -0.026 0.000 1.053 596 V CA -0.945 61.230 62.300 -0.208 0.000 0.957 596 V CB 1.766 33.512 31.823 -0.128 0.000 1.018 596 V HN 0.997 nan 8.190 nan 0.000 0.452 597 V N 3.854 123.828 119.914 0.100 0.000 2.444 597 V HA 0.777 4.895 4.120 -0.003 0.000 0.294 597 V C 0.642 176.890 176.094 0.255 0.000 1.022 597 V CA 0.263 62.667 62.300 0.174 0.000 0.850 597 V CB 1.589 33.451 31.823 0.065 0.000 0.992 597 V HN 1.292 nan 8.190 nan 0.000 0.426 598 G N 6.430 115.434 108.800 0.340 0.000 2.384 598 G HA2 0.635 4.593 3.960 -0.003 0.000 0.316 598 G HA3 0.635 4.593 3.960 -0.003 0.000 0.316 598 G C -0.418 174.538 174.900 0.093 0.000 1.160 598 G CA -0.580 44.684 45.100 0.273 0.000 0.936 598 G HN 0.672 nan 8.290 nan 0.000 0.455 599 M N 1.914 121.564 119.600 0.083 0.000 2.654 599 M HA 0.859 5.337 4.480 -0.003 0.000 0.310 599 M C -1.495 174.823 176.300 0.029 0.000 1.211 599 M CA -1.119 54.207 55.300 0.043 0.000 0.947 599 M CB 2.222 34.855 32.600 0.056 0.000 1.647 599 M HN 0.318 nan 8.290 nan 0.000 0.481 600 L N 1.273 122.503 121.223 0.011 0.000 2.362 600 L HA 0.568 4.906 4.340 -0.003 0.000 0.271 600 L C -1.628 175.244 176.870 0.003 0.000 1.002 600 L CA 0.104 54.944 54.840 -0.000 0.000 0.818 600 L CB 1.989 44.032 42.059 -0.027 0.000 1.298 600 L HN 0.834 nan 8.230 nan 0.000 0.420 601 D N 5.997 126.400 120.400 0.004 0.000 2.479 601 D HA 0.378 5.017 4.640 -0.003 0.000 0.247 601 D C -2.490 173.803 176.300 -0.012 0.000 1.119 601 D CA -1.816 52.185 54.000 0.002 0.000 0.922 601 D CB 0.932 41.739 40.800 0.013 0.000 1.014 601 D HN 0.330 nan 8.370 nan 0.000 0.510 602 P HA 0.135 nan 4.420 nan 0.000 0.265 602 P C -2.625 174.660 177.300 -0.024 0.000 1.193 602 P CA -1.029 62.054 63.100 -0.028 0.000 0.765 602 P CB 0.602 32.279 31.700 -0.038 0.000 0.823 603 P HA 0.250 nan 4.420 nan 0.000 0.274 603 P C 0.141 177.432 177.300 -0.015 0.000 1.237 603 P CA -0.228 62.857 63.100 -0.024 0.000 0.793 603 P CB 0.574 32.255 31.700 -0.032 0.000 0.977 604 R N 1.484 121.982 120.500 -0.003 0.000 2.694 604 R HA 0.104 4.442 4.340 -0.003 0.000 0.268 604 R C 1.580 177.887 176.300 0.012 0.000 1.061 604 R CA -0.041 56.064 56.100 0.009 0.000 1.133 604 R CB 0.234 30.552 30.300 0.030 0.000 1.020 604 R HN 0.455 nan 8.270 nan 0.000 0.475 605 K N 2.014 122.420 120.400 0.009 0.000 1.980 605 K HA -0.237 4.081 4.320 -0.003 0.000 0.223 605 K C 1.088 177.701 176.600 0.021 0.000 1.052 605 K CA 2.044 58.336 56.287 0.009 0.000 0.974 605 K CB -0.144 32.359 32.500 0.005 0.000 0.734 605 K HN 0.510 nan 8.250 nan 0.000 0.447 606 E N 1.119 121.336 120.200 0.029 0.000 2.495 606 E HA -0.067 4.281 4.350 -0.003 0.000 0.204 606 E C 1.254 177.902 176.600 0.079 0.000 1.163 606 E CA 0.238 56.663 56.400 0.042 0.000 0.922 606 E CB -0.285 29.434 29.700 0.033 0.000 0.918 606 E HN 0.094 nan 8.360 nan 0.000 0.537 607 V N -0.020 119.942 119.914 0.079 0.000 2.492 607 V HA -0.145 3.974 4.120 -0.003 0.000 0.241 607 V C 1.934 178.077 176.094 0.081 0.000 1.041 607 V CA 0.923 63.295 62.300 0.121 0.000 1.057 607 V CB -0.260 31.596 31.823 0.054 0.000 0.711 607 V HN 0.328 nan 8.190 nan 0.000 0.468 608 M N 0.879 120.497 119.600 0.031 0.000 2.110 608 M HA -0.193 4.285 4.480 -0.003 0.000 0.257 608 M C 2.307 178.625 176.300 0.030 0.000 1.071 608 M CA 2.529 57.837 55.300 0.013 0.000 1.096 608 M CB -1.914 30.689 32.600 0.004 0.000 1.300 608 M HN 0.443 nan 8.290 nan 0.000 0.411 609 G N -0.806 108.016 108.800 0.038 0.000 2.408 609 G HA2 -0.139 3.820 3.960 -0.003 0.000 0.217 609 G HA3 -0.139 3.820 3.960 -0.003 0.000 0.217 609 G C 1.729 176.665 174.900 0.059 0.000 1.150 609 G CA 1.060 46.182 45.100 0.037 0.000 0.776 609 G HN 0.493 nan 8.290 nan 0.000 0.542 610 S N 0.522 116.280 115.700 0.097 0.000 2.383 610 S HA -0.084 4.385 4.470 -0.003 0.000 0.229 610 S C 2.252 176.970 174.600 0.198 0.000 1.030 610 S CA 0.739 59.022 58.200 0.138 0.000 1.002 610 S CB -0.132 63.195 63.200 0.211 0.000 0.829 610 S HN 0.245 nan 8.310 nan 0.000 0.467 611 I N 1.492 122.177 120.570 0.193 0.000 2.315 611 I HA -0.115 4.053 4.170 -0.003 0.000 0.248 611 I C 2.578 178.732 176.117 0.062 0.000 1.117 611 I CA 1.254 62.629 61.300 0.125 0.000 1.404 611 I CB -1.318 36.682 38.000 0.001 0.000 1.071 611 I HN 0.301 nan 8.210 nan 0.000 0.419 612 Q N 1.334 121.160 119.800 0.043 0.000 2.084 612 Q HA -0.132 4.207 4.340 -0.003 0.000 0.202 612 Q C 2.262 178.277 176.000 0.025 0.000 0.978 612 Q CA 1.521 57.338 55.803 0.023 0.000 0.844 612 Q CB -0.463 28.285 28.738 0.017 0.000 0.898 612 Q HN 0.455 nan 8.270 nan 0.000 0.426 613 L N -0.707 120.536 121.223 0.033 0.000 2.013 613 L HA -0.320 4.019 4.340 -0.003 0.000 0.212 613 L C 2.495 179.377 176.870 0.021 0.000 1.073 613 L CA 1.542 56.395 54.840 0.021 0.000 0.753 613 L CB -0.612 41.457 42.059 0.016 0.000 0.890 613 L HN 0.373 nan 8.230 nan 0.000 0.432 614 C N -0.796 118.526 119.300 0.037 0.000 2.411 614 C HA -0.153 4.305 4.460 -0.003 0.000 0.279 614 C C 2.870 177.872 174.990 0.021 0.000 1.288 614 C CA 0.553 59.592 59.018 0.036 0.000 1.764 614 C CB -1.127 26.658 27.740 0.076 0.000 1.974 614 C HN 0.418 nan 8.230 nan 0.000 0.498 615 R N 0.932 121.442 120.500 0.017 0.000 2.070 615 R HA -0.119 4.219 4.340 -0.003 0.000 0.233 615 R C 1.812 178.116 176.300 0.006 0.000 1.137 615 R CA 1.789 57.893 56.100 0.006 0.000 0.945 615 R CB -0.419 29.883 30.300 0.003 0.000 0.845 615 R HN 0.572 nan 8.270 nan 0.000 0.430 616 D N 0.489 120.893 120.400 0.007 0.000 2.178 616 D HA -0.123 4.515 4.640 -0.003 0.000 0.201 616 D C 1.371 177.673 176.300 0.004 0.000 0.980 616 D CA 1.277 55.280 54.000 0.005 0.000 0.842 616 D CB -0.127 40.675 40.800 0.005 0.000 0.948 616 D HN 0.260 nan 8.370 nan 0.000 0.472 617 A N 0.202 123.025 122.820 0.005 0.000 2.259 617 A HA 0.379 4.698 4.320 -0.003 0.000 0.208 617 A C 1.737 179.322 177.584 0.002 0.000 1.201 617 A CA 0.810 52.848 52.037 0.002 0.000 0.824 617 A CB -0.556 18.444 19.000 -0.000 0.000 0.838 617 A HN 0.226 nan 8.150 nan 0.000 0.485 618 G N -0.400 108.402 108.800 0.004 0.000 2.258 618 G HA2 -0.264 3.694 3.960 -0.003 0.000 0.274 618 G HA3 -0.264 3.694 3.960 -0.003 0.000 0.274 618 G C 0.037 174.940 174.900 0.005 0.000 1.021 618 G CA 0.707 45.809 45.100 0.003 0.000 0.798 618 G HN 0.573 nan 8.290 nan 0.000 0.507 619 I N -0.144 120.431 120.570 0.009 0.000 2.321 619 I HA 0.365 4.533 4.170 -0.003 0.000 0.291 619 I C 0.800 176.928 176.117 0.019 0.000 0.998 619 I CA -0.989 60.320 61.300 0.015 0.000 1.227 619 I CB 1.381 39.392 38.000 0.019 0.000 1.368 619 I HN 0.134 nan 8.210 nan 0.000 0.466 620 R N 5.151 125.661 120.500 0.016 0.000 2.438 620 R HA 0.482 4.820 4.340 -0.003 0.000 0.287 620 R C -1.244 175.070 176.300 0.023 0.000 1.077 620 R CA -0.250 55.854 56.100 0.008 0.000 1.034 620 R CB 0.971 31.274 30.300 0.004 0.000 0.993 620 R HN 0.471 nan 8.270 nan 0.000 0.459 621 V N 7.004 126.916 119.914 -0.002 0.000 2.384 621 V HA 0.377 4.495 4.120 -0.003 0.000 0.287 621 V C -0.142 175.923 176.094 -0.047 0.000 1.020 621 V CA -0.596 61.709 62.300 0.008 0.000 0.850 621 V CB 1.526 33.344 31.823 -0.008 0.000 0.987 621 V HN 0.676 nan 8.190 nan 0.000 0.436 622 I N 5.513 126.086 120.570 0.005 0.000 2.389 622 I HA 0.460 4.628 4.170 -0.003 0.000 0.288 622 I C 0.002 176.131 176.117 0.020 0.000 0.999 622 I CA -0.354 60.959 61.300 0.022 0.000 1.129 622 I CB 1.715 39.793 38.000 0.130 0.000 1.288 622 I HN 0.573 nan 8.210 nan 0.000 0.444 623 M N 7.252 126.840 119.600 -0.020 0.000 2.274 623 M HA 0.524 5.003 4.480 -0.003 0.000 0.344 623 M C -1.255 175.089 176.300 0.074 0.000 1.161 623 M CA 0.064 55.351 55.300 -0.021 0.000 1.126 623 M CB 1.085 33.639 32.600 -0.076 0.000 1.522 623 M HN 0.522 nan 8.290 nan 0.000 0.461 624 I N 3.969 124.569 120.570 0.051 0.000 2.493 624 I HA 0.267 4.435 4.170 -0.003 0.000 0.279 624 I C -0.408 175.736 176.117 0.045 0.000 1.045 624 I CA -0.305 61.038 61.300 0.072 0.000 1.106 624 I CB 1.859 39.882 38.000 0.039 0.000 1.216 624 I HN 0.695 nan 8.210 nan 0.000 0.459 625 T N 2.512 117.101 114.554 0.058 0.000 2.807 625 T HA 0.602 4.951 4.350 -0.003 0.000 0.277 625 T C 0.895 175.625 174.700 0.051 0.000 1.006 625 T CA -0.058 62.067 62.100 0.043 0.000 1.006 625 T CB 1.849 70.739 68.868 0.036 0.000 1.274 625 T HN 0.624 nan 8.240 nan 0.000 0.569 626 G N 0.085 108.911 108.800 0.043 0.000 2.850 626 G HA2 0.198 4.156 3.960 -0.003 0.000 0.211 626 G HA3 0.198 4.156 3.960 -0.003 0.000 0.211 626 G C 0.269 175.201 174.900 0.054 0.000 1.124 626 G CA -0.137 44.992 45.100 0.048 0.000 0.769 626 G HN 0.676 nan 8.290 nan 0.000 0.535 627 D N 1.611 122.041 120.400 0.049 0.000 2.370 627 D HA -0.008 4.630 4.640 -0.003 0.000 0.235 627 D C 0.388 176.724 176.300 0.060 0.000 1.228 627 D CA 0.361 54.393 54.000 0.053 0.000 0.884 627 D CB 0.630 41.459 40.800 0.047 0.000 1.201 627 D HN 0.314 nan 8.370 nan 0.000 0.456 628 N N -0.495 118.242 118.700 0.061 0.000 2.424 628 N HA -0.016 4.723 4.740 -0.003 0.000 0.257 628 N C 0.604 176.143 175.510 0.049 0.000 1.250 628 N CA -0.425 52.661 53.050 0.059 0.000 0.946 628 N CB 0.473 38.995 38.487 0.057 0.000 1.175 628 N HN 0.330 nan 8.380 nan 0.000 0.477 629 K N -1.302 119.122 120.400 0.040 0.000 2.362 629 K HA -0.008 4.311 4.320 -0.003 0.000 0.200 629 K C 1.621 178.225 176.600 0.006 0.000 1.046 629 K CA 0.980 57.280 56.287 0.022 0.000 0.952 629 K CB -0.524 31.978 32.500 0.002 0.000 0.753 629 K HN 0.573 nan 8.250 nan 0.000 0.466 630 G N 2.133 110.940 108.800 0.011 0.000 2.433 630 G HA2 -0.316 3.642 3.960 -0.003 0.000 0.216 630 G HA3 -0.316 3.642 3.960 -0.003 0.000 0.216 630 G C 1.771 176.683 174.900 0.019 0.000 1.186 630 G CA 1.611 46.714 45.100 0.006 0.000 0.779 630 G HN 0.505 nan 8.290 nan 0.000 0.543 631 T N -0.936 113.641 114.554 0.037 0.000 2.942 631 T HA 0.348 4.697 4.350 -0.003 0.000 0.265 631 T C 2.576 177.303 174.700 0.045 0.000 1.062 631 T CA 1.466 63.594 62.100 0.046 0.000 1.139 631 T CB -0.289 68.613 68.868 0.058 0.000 0.883 631 T HN 0.356 nan 8.240 nan 0.000 0.468 632 A N 2.497 125.344 122.820 0.045 0.000 1.859 632 A HA -0.041 4.277 4.320 -0.003 0.000 0.218 632 A C 2.387 180.016 177.584 0.074 0.000 1.209 632 A CA 1.911 53.980 52.037 0.053 0.000 0.639 632 A CB -1.182 17.852 19.000 0.055 0.000 0.835 632 A HN 0.568 nan 8.150 nan 0.000 0.450 633 I N -0.360 120.253 120.570 0.071 0.000 2.236 633 I HA -0.370 3.798 4.170 -0.003 0.000 0.249 633 I C 2.964 179.148 176.117 0.111 0.000 1.102 633 I CA 1.234 62.595 61.300 0.101 0.000 1.365 633 I CB -0.506 37.467 38.000 -0.045 0.000 1.051 633 I HN 0.440 nan 8.210 nan 0.000 0.420 634 A N 1.213 124.068 122.820 0.058 0.000 1.877 634 A HA -0.188 4.130 4.320 -0.003 0.000 0.216 634 A C 2.221 179.838 177.584 0.054 0.000 1.186 634 A CA 1.423 53.490 52.037 0.050 0.000 0.620 634 A CB -0.616 18.407 19.000 0.039 0.000 0.822 634 A HN 0.318 nan 8.150 nan 0.000 0.443 635 I N -0.277 120.319 120.570 0.044 0.000 2.361 635 I HA -0.256 3.913 4.170 -0.003 0.000 0.251 635 I C 2.533 178.655 176.117 0.008 0.000 1.133 635 I CA 1.042 62.353 61.300 0.019 0.000 1.413 635 I CB -1.550 36.455 38.000 0.008 0.000 1.073 635 I HN 0.373 nan 8.210 nan 0.000 0.424 636 c N 0.491 119.122 118.600 0.052 0.000 2.435 636 c HA -0.102 4.466 4.570 -0.003 0.000 0.279 636 c C 2.978 177.093 174.090 0.043 0.000 1.321 636 c CA 0.589 56.923 56.329 0.008 0.000 1.752 636 c CB -0.915 41.657 42.510 0.104 0.000 1.959 636 c HN 0.442 nan 8.230 nan 0.000 0.500 637 R N -0.053 120.535 120.500 0.147 0.000 2.075 637 R HA -0.022 4.316 4.340 -0.003 0.000 0.226 637 R C 2.566 178.890 176.300 0.040 0.000 1.114 637 R CA 0.614 56.786 56.100 0.121 0.000 0.972 637 R CB -0.357 30.008 30.300 0.108 0.000 0.869 637 R HN 0.358 nan 8.270 nan 0.000 0.437 638 R N 1.666 122.179 120.500 0.022 0.000 2.105 638 R HA -0.146 4.192 4.340 -0.003 0.000 0.239 638 R C 2.020 178.309 176.300 -0.019 0.000 1.135 638 R CA 1.737 57.836 56.100 -0.000 0.000 0.967 638 R CB -0.173 30.124 30.300 -0.004 0.000 0.861 638 R HN 0.400 nan 8.270 nan 0.000 0.442 639 I N -5.089 115.457 120.570 -0.041 0.000 3.645 639 I HA 0.316 4.485 4.170 -0.003 0.000 0.300 639 I C 1.178 177.254 176.117 -0.068 0.000 1.260 639 I CA 0.878 62.140 61.300 -0.064 0.000 1.365 639 I CB 0.619 38.555 38.000 -0.107 0.000 1.077 639 I HN 0.188 nan 8.210 nan 0.000 0.439 640 G N 1.499 110.258 108.800 -0.069 0.000 2.260 640 G HA2 -0.179 3.779 3.960 -0.003 0.000 0.179 640 G HA3 -0.179 3.779 3.960 -0.003 0.000 0.179 640 G C 0.721 175.544 174.900 -0.128 0.000 1.002 640 G CA 0.194 45.254 45.100 -0.067 0.000 0.677 640 G HN 0.201 nan 8.290 nan 0.000 0.486 641 I N 0.153 120.580 120.570 -0.238 0.000 2.208 641 I HA 0.108 4.276 4.170 -0.003 0.000 0.245 641 I C 1.117 176.918 176.117 -0.527 0.000 1.097 641 I CA 1.368 62.392 61.300 -0.459 0.000 1.363 641 I CB -0.933 36.643 38.000 -0.706 0.000 1.051 641 I HN 0.120 nan 8.210 nan 0.000 0.413 642 F N -0.089 119.833 119.950 -0.048 0.000 2.556 642 F HA 0.646 5.171 4.527 -0.003 0.000 0.327 642 F C 1.017 176.796 175.800 -0.036 0.000 1.059 642 F CA -1.304 56.669 58.000 -0.045 0.000 0.953 642 F CB 0.784 39.752 39.000 -0.053 0.000 1.227 642 F HN -0.187 nan 8.300 nan 0.000 0.478 643 G N 0.132 109.046 108.800 0.190 0.000 2.562 643 G HA2 0.263 4.222 3.960 -0.003 0.000 0.275 643 G HA3 0.263 4.222 3.960 -0.003 0.000 0.275 643 G C 0.389 175.331 174.900 0.070 0.000 1.196 643 G CA -0.407 44.745 45.100 0.087 0.000 0.908 643 G HN 0.759 nan 8.290 nan 0.000 0.524 644 E N 0.017 120.239 120.200 0.037 0.000 2.204 644 E HA -0.085 4.263 4.350 -0.003 0.000 0.194 644 E C 0.783 177.384 176.600 0.002 0.000 0.989 644 E CA 0.660 57.072 56.400 0.021 0.000 0.824 644 E CB 0.198 29.905 29.700 0.012 0.000 0.756 644 E HN 0.357 nan 8.360 nan 0.000 0.477 645 N N 0.840 119.538 118.700 -0.003 0.000 2.200 645 N HA 0.015 4.753 4.740 -0.003 0.000 0.224 645 N C -0.463 175.028 175.510 -0.031 0.000 1.179 645 N CA 0.046 53.085 53.050 -0.020 0.000 0.877 645 N CB 0.748 39.226 38.487 -0.016 0.000 1.072 645 N HN 0.195 nan 8.380 nan 0.000 0.519 646 E N 1.385 121.571 120.200 -0.024 0.000 2.360 646 E HA 0.006 4.354 4.350 -0.003 0.000 0.269 646 E C -0.335 176.198 176.600 -0.112 0.000 1.022 646 E CA -0.230 56.148 56.400 -0.036 0.000 0.887 646 E CB 0.830 30.546 29.700 0.026 0.000 0.990 646 E HN -0.053 nan 8.360 nan 0.000 0.426 647 E N 2.549 122.683 120.200 -0.110 0.000 2.383 647 E HA 0.104 4.452 4.350 -0.003 0.000 0.264 647 E C -0.359 176.092 176.600 -0.248 0.000 1.050 647 E CA -0.040 56.267 56.400 -0.155 0.000 0.896 647 E CB 1.610 31.246 29.700 -0.108 0.000 0.982 647 E HN 0.371 nan 8.360 nan 0.000 0.424 648 V N 2.336 122.055 119.914 -0.325 0.000 3.070 648 V HA 0.127 4.245 4.120 -0.003 0.000 0.355 648 V C 1.193 177.073 176.094 -0.356 0.000 1.400 648 V CA 0.259 62.281 62.300 -0.463 0.000 1.170 648 V CB 0.290 31.608 31.823 -0.840 0.000 1.169 648 V HN 0.671 nan 8.190 nan 0.000 0.554 649 A N 0.931 123.600 122.820 -0.252 0.000 1.842 649 A HA -0.201 4.118 4.320 -0.003 0.000 0.217 649 A C 1.402 178.804 177.584 -0.303 0.000 1.206 649 A CA 2.318 54.217 52.037 -0.230 0.000 0.630 649 A CB -0.322 18.590 19.000 -0.147 0.000 0.839 649 A HN 0.553 nan 8.150 nan 0.000 0.447 650 D N -0.924 119.345 120.400 -0.219 0.000 2.706 650 D HA 0.251 4.889 4.640 -0.003 0.000 0.236 650 D C 0.521 176.736 176.300 -0.141 0.000 1.231 650 D CA 0.099 53.986 54.000 -0.187 0.000 0.828 650 D CB 0.160 40.967 40.800 0.011 0.000 1.015 650 D HN 0.471 nan 8.370 nan 0.000 0.484 651 R N -0.034 120.306 120.500 -0.265 0.000 2.549 651 R HA 0.380 4.718 4.340 -0.003 0.000 0.361 651 R C -0.042 176.174 176.300 -0.140 0.000 0.969 651 R CA -0.120 55.920 56.100 -0.099 0.000 1.158 651 R CB 1.636 31.941 30.300 0.009 0.000 1.456 651 R HN 0.001 nan 8.270 nan 0.000 0.540 652 A N 0.684 123.254 122.820 -0.417 0.000 2.466 652 A HA 0.615 4.934 4.320 -0.003 0.000 0.284 652 A C -1.568 175.717 177.584 -0.499 0.000 1.049 652 A CA -0.520 51.314 52.037 -0.338 0.000 0.760 652 A CB 0.633 19.504 19.000 -0.215 0.000 1.274 652 A HN 0.143 nan 8.150 nan 0.000 0.412 653 Y N -0.040 120.119 120.300 -0.236 0.000 2.659 653 Y HA 0.813 5.361 4.550 -0.003 0.000 0.333 653 Y C 0.894 176.837 175.900 0.071 0.000 1.064 653 Y CA -0.559 57.523 58.100 -0.030 0.000 1.141 653 Y CB 2.224 40.753 38.460 0.114 0.000 1.316 653 Y HN 0.583 nan 8.280 nan 0.000 0.509 654 T N -0.863 113.877 114.554 0.310 0.000 2.942 654 T HA 0.377 4.725 4.350 -0.003 0.000 0.289 654 T C 1.202 176.017 174.700 0.192 0.000 1.044 654 T CA -0.003 62.225 62.100 0.213 0.000 1.023 654 T CB 1.131 70.088 68.868 0.148 0.000 1.123 654 T HN 0.869 nan 8.240 nan 0.000 0.512 655 G N 1.785 110.643 108.800 0.096 0.000 2.507 655 G HA2 -0.227 3.731 3.960 -0.003 0.000 0.221 655 G HA3 -0.227 3.731 3.960 -0.003 0.000 0.221 655 G C 1.534 176.546 174.900 0.187 0.000 1.119 655 G CA 1.123 46.227 45.100 0.008 0.000 0.751 655 G HN 0.584 nan 8.290 nan 0.000 0.574 656 R N 0.524 121.139 120.500 0.193 0.000 2.052 656 R HA 0.127 4.465 4.340 -0.003 0.000 0.224 656 R C 2.517 178.931 176.300 0.191 0.000 1.149 656 R CA 1.463 57.676 56.100 0.188 0.000 0.962 656 R CB -0.736 29.648 30.300 0.141 0.000 0.856 656 R HN 0.455 nan 8.270 nan 0.000 0.433 657 E N -0.465 119.855 120.200 0.201 0.000 2.065 657 E HA -0.271 4.077 4.350 -0.003 0.000 0.201 657 E C 1.786 178.517 176.600 0.218 0.000 1.016 657 E CA 1.792 58.323 56.400 0.219 0.000 0.818 657 E CB -0.402 29.475 29.700 0.294 0.000 0.749 657 E HN 0.266 nan 8.360 nan 0.000 0.453 658 F N 2.209 122.210 119.950 0.085 0.000 2.069 658 F HA -0.246 4.280 4.527 -0.003 0.000 0.298 658 F C 1.983 177.796 175.800 0.021 0.000 1.113 658 F CA 1.816 59.803 58.000 -0.021 0.000 1.214 658 F CB -0.120 38.844 39.000 -0.060 0.000 0.978 658 F HN -0.085 nan 8.300 nan 0.000 0.474 659 D N 0.158 120.707 120.400 0.248 0.000 2.149 659 D HA -0.176 4.463 4.640 -0.003 0.000 0.198 659 D C 1.510 177.834 176.300 0.039 0.000 0.990 659 D CA 1.463 55.567 54.000 0.174 0.000 0.839 659 D CB -0.456 40.503 40.800 0.264 0.000 0.948 659 D HN 0.367 nan 8.370 nan 0.000 0.460 660 D N 0.020 120.447 120.400 0.046 0.000 2.378 660 D HA 0.025 4.663 4.640 -0.003 0.000 0.227 660 D C 0.491 176.773 176.300 -0.031 0.000 1.012 660 D CA 0.224 54.237 54.000 0.021 0.000 0.905 660 D CB 0.161 40.990 40.800 0.049 0.000 0.895 660 D HN 0.265 nan 8.370 nan 0.000 0.532 661 L N 1.441 122.597 121.223 -0.111 0.000 2.334 661 L HA 0.386 4.724 4.340 -0.003 0.000 0.275 661 L C -2.157 174.616 176.870 -0.162 0.000 1.036 661 L CA -2.049 52.696 54.840 -0.159 0.000 0.807 661 L CB 1.535 43.424 42.059 -0.284 0.000 1.231 661 L HN -0.265 nan 8.230 nan 0.000 0.438 662 P HA 0.134 nan 4.420 nan 0.000 0.279 662 P C 0.960 178.196 177.300 -0.106 0.000 1.239 662 P CA -0.462 62.588 63.100 -0.084 0.000 0.789 662 P CB 1.188 32.857 31.700 -0.052 0.000 0.933 663 L N 1.570 122.760 121.223 -0.055 0.000 2.256 663 L HA -0.340 3.998 4.340 -0.003 0.000 0.218 663 L C 2.284 179.136 176.870 -0.030 0.000 1.089 663 L CA 2.177 57.016 54.840 -0.002 0.000 0.777 663 L CB -1.149 40.943 42.059 0.056 0.000 0.890 663 L HN 0.452 nan 8.230 nan 0.000 0.439 664 A N 0.158 122.948 122.820 -0.051 0.000 1.826 664 A HA -0.171 4.147 4.320 -0.003 0.000 0.214 664 A C 2.093 179.614 177.584 -0.105 0.000 1.212 664 A CA 1.433 53.439 52.037 -0.051 0.000 0.605 664 A CB -0.518 18.464 19.000 -0.030 0.000 0.861 664 A HN 0.306 nan 8.150 nan 0.000 0.447 665 E N -0.195 119.935 120.200 -0.117 0.000 2.160 665 E HA -0.214 4.134 4.350 -0.003 0.000 0.195 665 E C 2.129 178.568 176.600 -0.269 0.000 0.991 665 E CA 1.422 57.738 56.400 -0.141 0.000 0.810 665 E CB -0.263 29.370 29.700 -0.112 0.000 0.742 665 E HN 0.713 nan 8.360 nan 0.000 0.466 666 Q N 0.076 119.642 119.800 -0.389 0.000 2.030 666 Q HA -0.244 4.094 4.340 -0.003 0.000 0.204 666 Q C 2.330 177.924 176.000 -0.676 0.000 0.986 666 Q CA 1.897 57.288 55.803 -0.687 0.000 0.843 666 Q CB -0.072 28.256 28.738 -0.682 0.000 0.904 666 Q HN 0.159 nan 8.270 nan 0.000 0.420 667 R N 0.253 120.329 120.500 -0.706 0.000 2.073 667 R HA -0.221 4.117 4.340 -0.003 0.000 0.234 667 R C 2.123 178.329 176.300 -0.157 0.000 1.134 667 R CA 1.830 57.503 56.100 -0.711 0.000 0.952 667 R CB -0.240 29.910 30.300 -0.249 0.000 0.850 667 R HN 0.129 nan 8.270 nan 0.000 0.433 668 E N 0.752 120.909 120.200 -0.072 0.000 2.097 668 E HA -0.192 4.156 4.350 -0.003 0.000 0.196 668 E C 1.682 178.267 176.600 -0.025 0.000 1.000 668 E CA 1.947 58.355 56.400 0.015 0.000 0.804 668 E CB -0.377 29.323 29.700 0.000 0.000 0.740 668 E HN 0.472 nan 8.360 nan 0.000 0.454 669 A N 0.018 122.791 122.820 -0.079 0.000 1.883 669 A HA -0.234 4.085 4.320 -0.003 0.000 0.217 669 A C 2.612 180.236 177.584 0.066 0.000 1.186 669 A CA 1.646 53.660 52.037 -0.038 0.000 0.624 669 A CB -1.156 17.625 19.000 -0.364 0.000 0.822 669 A HN 0.518 nan 8.150 nan 0.000 0.444 670 C N -0.163 119.193 119.300 0.094 0.000 2.409 670 C HA -0.090 4.369 4.460 -0.003 0.000 0.284 670 C C 2.570 177.586 174.990 0.043 0.000 1.354 670 C CA 1.123 60.249 59.018 0.181 0.000 1.787 670 C CB -1.479 26.404 27.740 0.238 0.000 1.900 670 C HN 0.746 nan 8.230 nan 0.000 0.520 671 R N 1.260 121.673 120.500 -0.144 0.000 2.310 671 R HA 0.063 4.401 4.340 -0.003 0.000 0.202 671 R C 1.747 177.953 176.300 -0.156 0.000 0.933 671 R CA 0.603 56.501 56.100 -0.336 0.000 1.054 671 R CB -0.306 29.483 30.300 -0.850 0.000 0.985 671 R HN 0.686 nan 8.270 nan 0.000 0.489 672 R N -0.387 120.084 120.500 -0.048 0.000 2.561 672 R HA 0.363 4.701 4.340 -0.003 0.000 0.213 672 R C 0.468 176.790 176.300 0.038 0.000 0.885 672 R CA 0.205 56.304 56.100 -0.002 0.000 1.002 672 R CB 0.056 30.364 30.300 0.014 0.000 1.432 672 R HN 0.053 nan 8.270 nan 0.000 0.651 673 A N 0.786 123.640 122.820 0.056 0.000 2.492 673 A HA 0.275 4.594 4.320 -0.003 0.000 0.236 673 A C 0.611 178.167 177.584 -0.046 0.000 1.078 673 A CA 0.387 52.413 52.037 -0.017 0.000 0.773 673 A CB 0.277 19.169 19.000 -0.181 0.000 1.023 673 A HN 0.585 nan 8.150 nan 0.000 0.504 674 C N -1.216 118.033 119.300 -0.085 0.000 4.498 674 C HA 0.249 4.707 4.460 -0.003 0.000 0.505 674 C C 0.387 175.307 174.990 -0.117 0.000 1.553 674 C CA -0.316 58.641 59.018 -0.102 0.000 2.306 674 C CB -0.635 26.971 27.740 -0.225 0.000 3.422 674 C HN 0.824 nan 8.230 nan 0.000 0.612 675 c N 2.134 120.694 118.600 -0.066 0.000 2.321 675 c HA 0.698 5.267 4.570 -0.003 0.000 0.323 675 c C -1.031 172.995 174.090 -0.107 0.000 1.191 675 c CA -0.335 55.992 56.329 -0.004 0.000 1.455 675 c CB -1.349 41.286 42.510 0.207 0.000 2.083 675 c HN 0.519 nan 8.230 nan 0.000 0.442 676 F N 4.302 124.274 119.950 0.037 0.000 2.347 676 F HA 0.579 5.105 4.527 -0.003 0.000 0.366 676 F C 0.701 176.499 175.800 -0.002 0.000 1.107 676 F CA -0.192 57.812 58.000 0.006 0.000 1.058 676 F CB 1.046 40.005 39.000 -0.067 0.000 1.236 676 F HN 0.706 nan 8.300 nan 0.000 0.456 677 A N 3.639 126.575 122.820 0.193 0.000 2.294 677 A HA 0.712 5.030 4.320 -0.003 0.000 0.330 677 A C 0.147 177.801 177.584 0.116 0.000 1.133 677 A CA -0.841 51.272 52.037 0.125 0.000 0.836 677 A CB 0.616 19.670 19.000 0.090 0.000 1.190 677 A HN 0.820 nan 8.150 nan 0.000 0.492 678 R N -0.575 119.981 120.500 0.094 0.000 2.939 678 R HA -0.130 4.208 4.340 -0.003 0.000 0.255 678 R C -1.080 175.283 176.300 0.105 0.000 0.882 678 R CA 0.370 56.526 56.100 0.093 0.000 0.658 678 R CB -2.083 28.275 30.300 0.097 0.000 1.447 678 R HN 0.397 nan 8.270 nan 0.000 0.506 679 V N 2.473 122.443 119.914 0.094 0.000 2.370 679 V HA 0.119 4.237 4.120 -0.003 0.000 0.283 679 V C 0.948 177.147 176.094 0.174 0.000 1.023 679 V CA -0.552 61.822 62.300 0.123 0.000 0.857 679 V CB 1.734 33.562 31.823 0.008 0.000 0.985 679 V HN 0.374 nan 8.190 nan 0.000 0.443 680 E N 7.539 127.928 120.200 0.314 0.000 2.416 680 E HA 0.107 4.455 4.350 -0.003 0.000 0.254 680 E C -1.483 175.095 176.600 -0.037 0.000 1.241 680 E CA -1.266 55.172 56.400 0.062 0.000 0.969 680 E CB 0.251 29.907 29.700 -0.072 0.000 0.999 680 E HN 0.418 nan 8.360 nan 0.000 0.481 681 P HA -0.240 nan 4.420 nan 0.000 0.215 681 P C 1.599 178.819 177.300 -0.135 0.000 1.157 681 P CA 1.880 64.916 63.100 -0.107 0.000 0.863 681 P CB -0.019 31.612 31.700 -0.116 0.000 0.787 682 S N -0.212 115.364 115.700 -0.207 0.000 2.380 682 S HA -0.296 4.172 4.470 -0.003 0.000 0.229 682 S C 1.888 176.397 174.600 -0.152 0.000 1.043 682 S CA 1.661 59.742 58.200 -0.198 0.000 1.038 682 S CB -2.123 60.925 63.200 -0.254 0.000 0.872 682 S HN 0.285 nan 8.310 nan 0.000 0.456 683 H N 1.808 120.823 119.070 -0.091 0.000 2.265 683 H HA -0.096 4.458 4.556 -0.003 0.000 0.293 683 H C 2.420 177.614 175.328 -0.224 0.000 1.089 683 H CA 1.977 57.914 56.048 -0.185 0.000 1.244 683 H CB -0.216 29.381 29.762 -0.275 0.000 1.355 683 H HN 0.390 nan 8.280 nan 0.000 0.485 684 K N 0.207 120.569 120.400 -0.064 0.000 2.144 684 K HA -0.187 4.132 4.320 -0.003 0.000 0.209 684 K C 2.407 178.961 176.600 -0.076 0.000 1.047 684 K CA 1.696 57.925 56.287 -0.097 0.000 0.927 684 K CB -0.146 32.314 32.500 -0.068 0.000 0.716 684 K HN 0.173 nan 8.250 nan 0.000 0.454 685 S N 0.405 116.067 115.700 -0.063 0.000 2.436 685 S HA -0.031 4.437 4.470 -0.003 0.000 0.228 685 S C 1.574 176.136 174.600 -0.063 0.000 1.014 685 S CA 0.899 59.063 58.200 -0.059 0.000 0.950 685 S CB 0.123 63.285 63.200 -0.063 0.000 0.784 685 S HN 0.281 nan 8.310 nan 0.000 0.504 686 K N 1.117 121.493 120.400 -0.039 0.000 2.044 686 K HA 0.153 4.471 4.320 -0.003 0.000 0.204 686 K C 1.844 178.466 176.600 0.037 0.000 1.049 686 K CA 0.922 57.189 56.287 -0.033 0.000 0.945 686 K CB -0.262 32.339 32.500 0.168 0.000 0.724 686 K HN 0.275 nan 8.250 nan 0.000 0.440 687 I N 1.056 121.646 120.570 0.034 0.000 2.315 687 I HA -0.285 3.883 4.170 -0.003 0.000 0.251 687 I C 2.179 178.361 176.117 0.108 0.000 1.125 687 I CA 1.015 62.352 61.300 0.062 0.000 1.392 687 I CB -0.244 37.610 38.000 -0.243 0.000 1.065 687 I HN -0.028 nan 8.210 nan 0.000 0.424 688 V N 0.615 120.545 119.914 0.028 0.000 2.323 688 V HA -0.230 3.888 4.120 -0.003 0.000 0.244 688 V C 2.331 178.448 176.094 0.039 0.000 1.041 688 V CA 1.772 64.091 62.300 0.033 0.000 1.025 688 V CB -0.481 31.340 31.823 -0.004 0.000 0.656 688 V HN 0.411 nan 8.190 nan 0.000 0.451 689 E N -0.909 119.269 120.200 -0.037 0.000 2.160 689 E HA -0.242 4.107 4.350 -0.003 0.000 0.195 689 E C 2.118 178.704 176.600 -0.024 0.000 0.991 689 E CA 1.595 57.941 56.400 -0.090 0.000 0.810 689 E CB -0.181 29.389 29.700 -0.217 0.000 0.742 689 E HN 0.681 nan 8.360 nan 0.000 0.466 690 Y N 0.483 120.840 120.300 0.094 0.000 2.220 690 Y HA -0.077 4.472 4.550 -0.003 0.000 0.291 690 Y C 2.164 178.211 175.900 0.246 0.000 1.129 690 Y CA 0.644 58.835 58.100 0.152 0.000 1.161 690 Y CB -0.382 38.213 38.460 0.224 0.000 0.997 690 Y HN -0.022 nan 8.280 nan 0.000 0.522 691 L N -0.261 121.190 121.223 0.380 0.000 2.265 691 L HA -0.254 4.084 4.340 -0.003 0.000 0.215 691 L C 2.088 179.107 176.870 0.249 0.000 1.117 691 L CA 1.310 56.337 54.840 0.312 0.000 0.782 691 L CB -0.434 41.740 42.059 0.191 0.000 0.914 691 L HN 0.339 nan 8.230 nan 0.000 0.441 692 Q N -0.779 119.121 119.800 0.167 0.000 2.212 692 Q HA -0.087 4.251 4.340 -0.003 0.000 0.199 692 Q C 2.277 178.311 176.000 0.056 0.000 0.950 692 Q CA 1.340 57.197 55.803 0.090 0.000 0.863 692 Q CB 0.041 28.802 28.738 0.039 0.000 0.944 692 Q HN 0.553 nan 8.270 nan 0.000 0.465 693 S N -0.577 115.140 115.700 0.028 0.000 2.595 693 S HA -0.084 4.384 4.470 -0.003 0.000 0.235 693 S C 0.627 175.062 174.600 -0.276 0.000 0.974 693 S CA 0.481 58.607 58.200 -0.123 0.000 0.942 693 S CB -0.083 63.019 63.200 -0.163 0.000 0.766 693 S HN 0.330 nan 8.310 nan 0.000 0.536 694 Y N 1.419 121.763 120.300 0.072 0.000 2.720 694 Y HA 0.304 4.852 4.550 -0.003 0.000 0.268 694 Y C -0.019 175.906 175.900 0.042 0.000 1.142 694 Y CA -1.329 56.806 58.100 0.057 0.000 1.193 694 Y CB -0.083 38.416 38.460 0.066 0.000 1.176 694 Y HN 0.112 nan 8.280 nan 0.000 0.542 695 D N 1.134 121.606 120.400 0.120 0.000 2.702 695 D HA -0.245 4.394 4.640 -0.003 0.000 0.233 695 D C -0.149 176.202 176.300 0.084 0.000 1.164 695 D CA 1.041 55.089 54.000 0.079 0.000 0.638 695 D CB -0.596 40.239 40.800 0.059 0.000 1.041 695 D HN 0.534 nan 8.370 nan 0.000 0.422 696 E N -0.275 119.989 120.200 0.106 0.000 2.214 696 E HA 0.353 4.701 4.350 -0.003 0.000 0.274 696 E C 0.468 177.101 176.600 0.055 0.000 0.977 696 E CA -0.928 55.520 56.400 0.081 0.000 0.827 696 E CB 1.375 31.136 29.700 0.101 0.000 1.130 696 E HN -0.012 nan 8.360 nan 0.000 0.394 697 I N 3.345 123.934 120.570 0.032 0.000 2.281 697 I HA 0.079 4.247 4.170 -0.003 0.000 0.293 697 I C 0.697 176.827 176.117 0.021 0.000 1.085 697 I CA -0.121 61.188 61.300 0.016 0.000 1.257 697 I CB -0.324 37.673 38.000 -0.006 0.000 1.430 697 I HN 0.426 nan 8.210 nan 0.000 0.489 698 T N 2.976 117.547 114.554 0.029 0.000 2.945 698 T HA 0.869 5.218 4.350 -0.003 0.000 0.286 698 T C -0.181 174.533 174.700 0.022 0.000 1.025 698 T CA -0.738 61.382 62.100 0.033 0.000 1.039 698 T CB 2.378 71.275 68.868 0.049 0.000 1.068 698 T HN 0.596 nan 8.240 nan 0.000 0.497 699 A N 2.351 125.187 122.820 0.027 0.000 2.337 699 A HA 0.827 5.145 4.320 -0.003 0.000 0.329 699 A C -0.591 177.011 177.584 0.031 0.000 1.146 699 A CA -0.998 51.052 52.037 0.021 0.000 0.800 699 A CB 1.375 20.385 19.000 0.016 0.000 1.220 699 A HN 0.936 nan 8.150 nan 0.000 0.472 700 M N 2.039 121.652 119.600 0.021 0.000 2.267 700 M HA 0.491 4.969 4.480 -0.003 0.000 0.289 700 M C -0.100 176.212 176.300 0.020 0.000 1.043 700 M CA -0.142 55.170 55.300 0.020 0.000 0.928 700 M CB 2.002 34.605 32.600 0.005 0.000 1.613 700 M HN 0.832 nan 8.290 nan 0.000 0.450 701 T N 1.359 115.931 114.554 0.030 0.000 2.907 701 T HA 0.979 5.327 4.350 -0.003 0.000 0.284 701 T C 0.090 174.799 174.700 0.015 0.000 1.004 701 T CA -0.320 61.798 62.100 0.030 0.000 1.063 701 T CB 1.453 70.354 68.868 0.054 0.000 0.992 701 T HN 1.008 nan 8.240 nan 0.000 0.483 702 G N 0.957 109.763 108.800 0.011 0.000 2.673 702 G HA2 0.520 4.478 3.960 -0.003 0.000 0.292 702 G HA3 0.520 4.478 3.960 -0.003 0.000 0.292 702 G C -0.687 174.215 174.900 0.004 0.000 1.450 702 G CA -0.527 44.573 45.100 0.001 0.000 0.837 702 G HN 0.660 nan 8.290 nan 0.000 0.505 703 D N -0.605 119.794 120.400 -0.001 0.000 2.753 703 D HA 0.258 4.897 4.640 -0.003 0.000 0.291 703 D C 1.364 177.662 176.300 -0.003 0.000 1.075 703 D CA 0.892 54.894 54.000 0.003 0.000 0.946 703 D CB -0.194 40.609 40.800 0.006 0.000 1.376 703 D HN 0.778 nan 8.370 nan 0.000 0.482 704 G N 0.403 109.192 108.800 -0.018 0.000 2.557 704 G HA2 0.360 4.319 3.960 -0.003 0.000 0.302 704 G HA3 0.360 4.319 3.960 -0.003 0.000 0.302 704 G C 0.755 175.625 174.900 -0.050 0.000 1.311 704 G CA -0.047 45.032 45.100 -0.036 0.000 1.030 704 G HN 0.133 nan 8.290 nan 0.000 0.509 705 V N 0.692 120.553 119.914 -0.088 0.000 2.626 705 V HA -0.134 3.985 4.120 -0.003 0.000 0.252 705 V C 2.336 178.372 176.094 -0.097 0.000 1.067 705 V CA 2.257 64.498 62.300 -0.099 0.000 1.081 705 V CB -0.772 30.936 31.823 -0.193 0.000 0.686 705 V HN 0.763 nan 8.190 nan 0.000 0.468 706 N N -0.149 118.486 118.700 -0.109 0.000 2.381 706 N HA -0.166 4.573 4.740 -0.003 0.000 0.182 706 N C 1.204 176.666 175.510 -0.079 0.000 1.025 706 N CA 1.647 54.632 53.050 -0.108 0.000 0.888 706 N CB -0.577 37.838 38.487 -0.119 0.000 0.965 706 N HN 0.547 nan 8.380 nan 0.000 0.438 707 D N 0.989 121.352 120.400 -0.061 0.000 2.305 707 D HA 0.124 4.762 4.640 -0.003 0.000 0.206 707 D C 1.840 178.117 176.300 -0.038 0.000 0.974 707 D CA 0.494 54.468 54.000 -0.045 0.000 0.871 707 D CB 0.015 40.796 40.800 -0.031 0.000 0.947 707 D HN 0.314 nan 8.370 nan 0.000 0.516 708 A N 2.262 125.060 122.820 -0.037 0.000 1.927 708 A HA -0.174 4.144 4.320 -0.003 0.000 0.220 708 A C -0.212 177.354 177.584 -0.030 0.000 1.185 708 A CA 1.520 53.541 52.037 -0.027 0.000 0.639 708 A CB -1.520 17.466 19.000 -0.022 0.000 0.820 708 A HN 0.189 nan 8.150 nan 0.000 0.451 709 P HA -0.159 nan 4.420 nan 0.000 0.214 709 P C 1.860 179.137 177.300 -0.038 0.000 1.163 709 P CA 2.111 65.187 63.100 -0.041 0.000 0.883 709 P CB -0.177 31.492 31.700 -0.052 0.000 0.788 710 A N -0.445 122.351 122.820 -0.041 0.000 1.865 710 A HA -0.193 4.125 4.320 -0.003 0.000 0.217 710 A C 2.286 179.854 177.584 -0.027 0.000 1.191 710 A CA 1.659 53.674 52.037 -0.037 0.000 0.623 710 A CB -1.759 17.216 19.000 -0.041 0.000 0.826 710 A HN 0.077 nan 8.150 nan 0.000 0.444 711 L N -0.901 120.308 121.223 -0.023 0.000 2.043 711 L HA -0.233 4.105 4.340 -0.003 0.000 0.212 711 L C 2.602 179.463 176.870 -0.015 0.000 1.075 711 L CA 2.087 56.917 54.840 -0.015 0.000 0.752 711 L CB -0.453 41.599 42.059 -0.013 0.000 0.891 711 L HN 0.425 nan 8.230 nan 0.000 0.432 712 K N -0.014 120.375 120.400 -0.018 0.000 2.504 712 K HA -0.153 4.165 4.320 -0.003 0.000 0.195 712 K C 2.011 178.600 176.600 -0.019 0.000 1.036 712 K CA 0.772 57.049 56.287 -0.018 0.000 0.984 712 K CB 0.187 32.676 32.500 -0.018 0.000 0.788 712 K HN 0.129 nan 8.250 nan 0.000 0.488 713 K N -0.424 119.964 120.400 -0.021 0.000 2.370 713 K HA 0.186 4.504 4.320 -0.003 0.000 0.194 713 K C -0.105 176.486 176.600 -0.015 0.000 1.070 713 K CA 0.025 56.300 56.287 -0.021 0.000 0.998 713 K CB 0.498 32.980 32.500 -0.029 0.000 0.911 713 K HN 0.075 nan 8.250 nan 0.000 0.533 714 A N 1.410 124.223 122.820 -0.011 0.000 2.407 714 A HA 0.075 4.393 4.320 -0.003 0.000 0.248 714 A C 0.508 178.089 177.584 -0.004 0.000 1.082 714 A CA -0.162 51.873 52.037 -0.003 0.000 0.785 714 A CB 0.488 19.488 19.000 -0.001 0.000 1.020 714 A HN 0.270 nan 8.150 nan 0.000 0.489 715 E N 0.156 120.357 120.200 0.000 0.000 2.118 715 E HA -0.125 4.224 4.350 -0.003 0.000 0.195 715 E C -0.345 176.250 176.600 -0.008 0.000 0.992 715 E CA 1.604 58.001 56.400 -0.004 0.000 0.804 715 E CB -0.235 29.463 29.700 -0.002 0.000 0.741 715 E HN 0.605 nan 8.360 nan 0.000 0.458 716 I N -0.492 120.075 120.570 -0.006 0.000 2.497 716 I HA 0.343 4.511 4.170 -0.003 0.000 0.284 716 I C 0.093 176.207 176.117 -0.005 0.000 1.060 716 I CA -0.577 60.718 61.300 -0.008 0.000 1.071 716 I CB 2.082 40.075 38.000 -0.012 0.000 1.216 716 I HN -0.144 nan 8.210 nan 0.000 0.442 717 G N 6.765 115.561 108.800 -0.006 0.000 2.325 717 G HA2 0.701 4.659 3.960 -0.003 0.000 0.298 717 G HA3 0.701 4.659 3.960 -0.003 0.000 0.298 717 G C -0.372 174.525 174.900 -0.004 0.000 1.134 717 G CA -0.378 44.720 45.100 -0.004 0.000 0.876 717 G HN 0.526 nan 8.290 nan 0.000 0.452 718 I N 2.247 122.818 120.570 0.001 0.000 2.330 718 I HA 0.451 4.620 4.170 -0.003 0.000 0.289 718 I C 0.596 176.717 176.117 0.006 0.000 1.001 718 I CA -0.622 60.679 61.300 0.001 0.000 1.193 718 I CB 1.680 39.682 38.000 0.004 0.000 1.345 718 I HN 0.512 nan 8.210 nan 0.000 0.461 719 A N 7.696 130.519 122.820 0.004 0.000 2.294 719 A HA 0.821 5.139 4.320 -0.003 0.000 0.330 719 A C -0.135 177.455 177.584 0.010 0.000 1.133 719 A CA -0.727 51.314 52.037 0.007 0.000 0.836 719 A CB 1.025 20.028 19.000 0.005 0.000 1.190 719 A HN 0.601 nan 8.150 nan 0.000 0.492 720 M N 1.647 121.255 119.600 0.013 0.000 2.249 720 M HA 0.215 4.693 4.480 -0.003 0.000 0.351 720 M C 1.561 177.869 176.300 0.013 0.000 1.180 720 M CA -0.085 55.224 55.300 0.016 0.000 1.127 720 M CB 0.555 33.166 32.600 0.019 0.000 1.546 720 M HN 0.917 nan 8.290 nan 0.000 0.461 721 G N 1.369 110.176 108.800 0.012 0.000 2.442 721 G HA2 -0.189 3.769 3.960 -0.003 0.000 0.219 721 G HA3 -0.189 3.769 3.960 -0.003 0.000 0.219 721 G C 1.365 176.272 174.900 0.012 0.000 1.141 721 G CA 1.246 46.351 45.100 0.009 0.000 0.763 721 G HN 0.761 nan 8.290 nan 0.000 0.554 722 S N 0.263 115.972 115.700 0.015 0.000 2.489 722 S HA 0.287 4.756 4.470 -0.003 0.000 0.228 722 S C 1.508 176.120 174.600 0.020 0.000 0.995 722 S CA 0.348 58.558 58.200 0.017 0.000 0.934 722 S CB -0.135 63.076 63.200 0.019 0.000 0.771 722 S HN 0.499 nan 8.310 nan 0.000 0.522 723 G N 2.250 111.062 108.800 0.020 0.000 2.634 723 G HA2 0.403 4.361 3.960 -0.003 0.000 0.255 723 G HA3 0.403 4.361 3.960 -0.003 0.000 0.255 723 G C 0.268 175.187 174.900 0.031 0.000 1.205 723 G CA -0.070 45.043 45.100 0.022 0.000 0.884 723 G HN 0.499 nan 8.290 nan 0.000 0.549 724 T N -2.099 112.479 114.554 0.040 0.000 2.788 724 T HA 0.278 4.627 4.350 -0.003 0.000 0.333 724 T C 1.658 176.399 174.700 0.069 0.000 1.090 724 T CA 0.430 62.574 62.100 0.074 0.000 1.094 724 T CB 0.860 69.783 68.868 0.091 0.000 0.999 724 T HN 0.967 nan 8.240 nan 0.000 0.549 725 A N 1.073 123.946 122.820 0.088 0.000 1.930 725 A HA 0.126 4.444 4.320 -0.003 0.000 0.215 725 A C 2.428 180.047 177.584 0.058 0.000 1.176 725 A CA 1.054 53.121 52.037 0.050 0.000 0.632 725 A CB -0.902 18.110 19.000 0.020 0.000 0.819 725 A HN 0.726 nan 8.150 nan 0.000 0.445 726 V N 0.117 120.098 119.914 0.112 0.000 2.343 726 V HA -0.266 3.852 4.120 -0.003 0.000 0.247 726 V C 3.064 179.188 176.094 0.049 0.000 1.051 726 V CA 1.908 64.266 62.300 0.098 0.000 1.036 726 V CB -1.278 30.644 31.823 0.165 0.000 0.654 726 V HN 0.595 nan 8.190 nan 0.000 0.451 727 A N -0.104 122.741 122.820 0.042 0.000 1.883 727 A HA -0.280 4.038 4.320 -0.003 0.000 0.217 727 A C 2.296 179.888 177.584 0.012 0.000 1.186 727 A CA 2.234 54.281 52.037 0.017 0.000 0.624 727 A CB -0.467 18.540 19.000 0.012 0.000 0.822 727 A HN 0.568 nan 8.150 nan 0.000 0.444 728 K N -0.678 119.732 120.400 0.016 0.000 2.002 728 K HA -0.125 4.193 4.320 -0.003 0.000 0.209 728 K C 2.133 178.733 176.600 0.001 0.000 1.048 728 K CA 1.851 58.142 56.287 0.007 0.000 0.930 728 K CB -0.597 31.907 32.500 0.007 0.000 0.714 728 K HN 0.708 nan 8.250 nan 0.000 0.438 729 T N -1.204 113.352 114.554 0.003 0.000 3.077 729 T HA -0.006 4.342 4.350 -0.003 0.000 0.269 729 T C 1.677 176.373 174.700 -0.006 0.000 1.146 729 T CA 0.965 63.062 62.100 -0.005 0.000 1.091 729 T CB -0.045 68.820 68.868 -0.005 0.000 0.892 729 T HN 0.187 nan 8.240 nan 0.000 0.533 730 A N 1.201 124.020 122.820 -0.002 0.000 2.197 730 A HA 0.466 4.784 4.320 -0.003 0.000 0.210 730 A C 1.496 179.075 177.584 -0.008 0.000 1.180 730 A CA 0.155 52.188 52.037 -0.006 0.000 0.846 730 A CB 0.047 19.044 19.000 -0.004 0.000 0.884 730 A HN 0.642 nan 8.150 nan 0.000 0.487 731 S N -0.750 114.946 115.700 -0.007 0.000 2.654 731 S HA 0.508 4.976 4.470 -0.003 0.000 0.283 731 S C 0.207 174.801 174.600 -0.010 0.000 1.180 731 S CA -0.381 57.815 58.200 -0.008 0.000 1.021 731 S CB 1.419 64.616 63.200 -0.005 0.000 1.018 731 S HN 0.123 nan 8.310 nan 0.000 0.532 732 E N 0.165 120.359 120.200 -0.011 0.000 2.230 732 E HA 0.232 4.581 4.350 -0.003 0.000 0.192 732 E C 0.412 177.005 176.600 -0.012 0.000 0.987 732 E CA 0.655 57.048 56.400 -0.012 0.000 0.841 732 E CB 0.067 29.760 29.700 -0.012 0.000 0.783 732 E HN 0.728 nan 8.360 nan 0.000 0.481 733 M N -0.077 119.516 119.600 -0.012 0.000 2.550 733 M HA 0.465 4.943 4.480 -0.003 0.000 0.292 733 M C -1.698 174.596 176.300 -0.010 0.000 1.221 733 M CA -0.862 54.431 55.300 -0.013 0.000 0.873 733 M CB 1.981 34.571 32.600 -0.017 0.000 1.727 733 M HN -0.258 nan 8.290 nan 0.000 0.459 734 V N 3.987 123.895 119.914 -0.010 0.000 2.680 734 V HA 0.496 4.615 4.120 -0.003 0.000 0.309 734 V C -0.709 175.380 176.094 -0.008 0.000 1.052 734 V CA -0.765 61.531 62.300 -0.006 0.000 0.908 734 V CB 1.990 33.811 31.823 -0.004 0.000 1.001 734 V HN 0.793 nan 8.190 nan 0.000 0.431 735 L N 3.535 124.756 121.223 -0.003 0.000 2.272 735 L HA 0.463 4.802 4.340 -0.003 0.000 0.284 735 L C 1.443 178.314 176.870 0.001 0.000 1.045 735 L CA -0.383 54.455 54.840 -0.004 0.000 0.842 735 L CB 1.105 43.164 42.059 0.001 0.000 1.224 735 L HN 0.864 nan 8.230 nan 0.000 0.430 736 A N 3.218 126.037 122.820 -0.002 0.000 1.859 736 A HA -0.248 4.070 4.320 -0.003 0.000 0.217 736 A C 1.578 179.165 177.584 0.005 0.000 1.198 736 A CA 2.255 54.292 52.037 0.001 0.000 0.629 736 A CB -0.473 18.526 19.000 -0.001 0.000 0.830 736 A HN 0.893 nan 8.150 nan 0.000 0.446 737 D N -1.348 119.054 120.400 0.004 0.000 2.363 737 D HA 0.059 4.698 4.640 -0.003 0.000 0.226 737 D C 0.014 176.325 176.300 0.018 0.000 1.020 737 D CA 0.665 54.671 54.000 0.009 0.000 0.892 737 D CB -0.341 40.463 40.800 0.007 0.000 0.900 737 D HN 0.466 nan 8.370 nan 0.000 0.531 738 D N -0.887 119.524 120.400 0.019 0.000 3.041 738 D HA -0.239 4.399 4.640 -0.003 0.000 0.214 738 D C -0.166 176.164 176.300 0.049 0.000 1.153 738 D CA 0.889 54.907 54.000 0.030 0.000 0.972 738 D CB -1.415 39.403 40.800 0.030 0.000 1.126 738 D HN 0.398 nan 8.370 nan 0.000 0.400 739 N N 0.231 118.958 118.700 0.044 0.000 2.452 739 N HA 0.001 4.739 4.740 -0.003 0.000 0.266 739 N C 0.927 176.495 175.510 0.096 0.000 1.175 739 N CA -0.001 53.091 53.050 0.070 0.000 0.945 739 N CB 0.146 38.660 38.487 0.045 0.000 1.063 739 N HN 0.084 nan 8.380 nan 0.000 0.472 740 F N 4.063 124.009 119.950 -0.008 0.000 2.120 740 F HA -0.277 4.248 4.527 -0.003 0.000 0.300 740 F C 2.245 178.039 175.800 -0.010 0.000 1.095 740 F CA 2.093 60.088 58.000 -0.009 0.000 1.249 740 F CB -0.386 38.607 39.000 -0.012 0.000 0.995 740 F HN 0.610 nan 8.300 nan 0.000 0.480 741 S N -1.379 114.327 115.700 0.010 0.000 2.465 741 S HA -0.211 4.258 4.470 -0.003 0.000 0.241 741 S C 1.827 176.313 174.600 -0.191 0.000 1.000 741 S CA 1.547 59.669 58.200 -0.130 0.000 0.964 741 S CB -1.284 61.939 63.200 0.039 0.000 0.763 741 S HN 0.508 nan 8.310 nan 0.000 0.512 742 T N 2.479 116.948 114.554 -0.142 0.000 2.904 742 T HA 0.179 4.527 4.350 -0.003 0.000 0.267 742 T C 1.599 176.199 174.700 -0.167 0.000 1.059 742 T CA 1.075 63.107 62.100 -0.113 0.000 1.137 742 T CB -0.417 68.412 68.868 -0.063 0.000 0.879 742 T HN 0.436 nan 8.240 nan 0.000 0.467 743 I N 0.708 121.116 120.570 -0.269 0.000 2.076 743 I HA -0.185 3.983 4.170 -0.003 0.000 0.237 743 I C 2.460 178.407 176.117 -0.283 0.000 1.059 743 I CA 1.088 62.218 61.300 -0.283 0.000 1.317 743 I CB -0.733 37.025 38.000 -0.404 0.000 1.037 743 I HN 0.057 nan 8.210 nan 0.000 0.398 744 V N 1.382 121.043 119.914 -0.421 0.000 2.278 744 V HA -0.389 3.729 4.120 -0.003 0.000 0.251 744 V C 2.770 178.773 176.094 -0.152 0.000 1.062 744 V CA 2.270 64.405 62.300 -0.275 0.000 1.038 744 V CB -1.270 30.384 31.823 -0.282 0.000 0.646 744 V HN 0.568 nan 8.190 nan 0.000 0.447 745 A N -0.124 122.614 122.820 -0.135 0.000 1.883 745 A HA -0.194 4.124 4.320 -0.003 0.000 0.217 745 A C 2.459 180.003 177.584 -0.067 0.000 1.186 745 A CA 2.536 54.525 52.037 -0.080 0.000 0.624 745 A CB -0.950 18.010 19.000 -0.066 0.000 0.822 745 A HN 0.646 nan 8.150 nan 0.000 0.444 746 A N -0.628 122.145 122.820 -0.080 0.000 1.865 746 A HA -0.077 4.241 4.320 -0.003 0.000 0.217 746 A C 2.246 179.800 177.584 -0.050 0.000 1.191 746 A CA 1.991 53.992 52.037 -0.059 0.000 0.623 746 A CB -1.167 17.794 19.000 -0.064 0.000 0.826 746 A HN 0.480 nan 8.150 nan 0.000 0.444 747 V N 0.030 119.904 119.914 -0.067 0.000 2.324 747 V HA -0.317 3.801 4.120 -0.003 0.000 0.250 747 V C 2.543 178.617 176.094 -0.034 0.000 1.060 747 V CA 2.504 64.772 62.300 -0.052 0.000 1.042 747 V CB -0.733 31.052 31.823 -0.064 0.000 0.650 747 V HN 0.781 nan 8.190 nan 0.000 0.450 748 E N -0.384 119.795 120.200 -0.035 0.000 2.077 748 E HA -0.235 4.113 4.350 -0.003 0.000 0.193 748 E C 2.244 178.842 176.600 -0.004 0.000 0.989 748 E CA 1.145 57.534 56.400 -0.018 0.000 0.800 748 E CB -0.026 29.662 29.700 -0.021 0.000 0.746 748 E HN 0.539 nan 8.360 nan 0.000 0.452 749 E N -0.418 119.779 120.200 -0.006 0.000 2.204 749 E HA -0.113 4.235 4.350 -0.003 0.000 0.194 749 E C 1.925 178.537 176.600 0.020 0.000 0.989 749 E CA 0.895 57.300 56.400 0.007 0.000 0.824 749 E CB -0.159 29.542 29.700 0.003 0.000 0.756 749 E HN 0.422 nan 8.360 nan 0.000 0.477 750 G N 1.067 109.873 108.800 0.011 0.000 2.408 750 G HA2 -0.242 3.717 3.960 -0.003 0.000 0.217 750 G HA3 -0.242 3.717 3.960 -0.003 0.000 0.217 750 G C 1.685 176.613 174.900 0.047 0.000 1.150 750 G CA 0.206 45.319 45.100 0.023 0.000 0.776 750 G HN 0.176 nan 8.290 nan 0.000 0.542 751 R N 0.424 120.944 120.500 0.032 0.000 2.090 751 R HA 0.106 4.445 4.340 -0.003 0.000 0.228 751 R C 2.963 179.305 176.300 0.070 0.000 1.110 751 R CA 0.966 57.097 56.100 0.052 0.000 0.973 751 R CB -0.273 30.042 30.300 0.025 0.000 0.869 751 R HN 0.349 nan 8.270 nan 0.000 0.440 752 A N 1.514 124.362 122.820 0.046 0.000 1.873 752 A HA -0.105 4.213 4.320 -0.003 0.000 0.215 752 A C 2.077 179.686 177.584 0.040 0.000 1.186 752 A CA 0.950 53.011 52.037 0.039 0.000 0.616 752 A CB -0.255 18.764 19.000 0.033 0.000 0.823 752 A HN 0.045 nan 8.150 nan 0.000 0.442 753 I N -1.499 119.103 120.570 0.052 0.000 2.179 753 I HA -0.219 3.949 4.170 -0.003 0.000 0.242 753 I C 2.393 178.520 176.117 0.017 0.000 1.088 753 I CA 1.570 62.898 61.300 0.047 0.000 1.357 753 I CB -1.466 36.572 38.000 0.064 0.000 1.051 753 I HN 0.557 nan 8.210 nan 0.000 0.409 754 Y N 2.077 122.341 120.300 -0.060 0.000 2.352 754 Y HA -0.212 4.336 4.550 -0.003 0.000 0.292 754 Y C 2.298 178.124 175.900 -0.123 0.000 1.136 754 Y CA 1.466 59.508 58.100 -0.097 0.000 1.227 754 Y CB -0.246 38.173 38.460 -0.068 0.000 0.991 754 Y HN 0.213 nan 8.280 nan 0.000 0.545 755 N N 0.252 118.919 118.700 -0.056 0.000 2.106 755 N HA -0.173 4.565 4.740 -0.003 0.000 0.188 755 N C 1.379 176.750 175.510 -0.231 0.000 1.029 755 N CA 1.601 54.579 53.050 -0.120 0.000 0.848 755 N CB -0.392 38.085 38.487 -0.017 0.000 1.007 755 N HN 0.348 nan 8.380 nan 0.000 0.423 756 N N 0.402 118.990 118.700 -0.186 0.000 2.135 756 N HA -0.086 4.652 4.740 -0.003 0.000 0.186 756 N C 1.736 176.957 175.510 -0.481 0.000 1.027 756 N CA 0.561 53.492 53.050 -0.198 0.000 0.849 756 N CB -0.374 38.078 38.487 -0.058 0.000 1.002 756 N HN 0.292 nan 8.380 nan 0.000 0.425 757 M N 1.339 120.569 119.600 -0.617 0.000 2.106 757 M HA -0.208 4.270 4.480 -0.003 0.000 0.259 757 M C 2.067 177.535 176.300 -1.386 0.000 1.068 757 M CA 1.594 56.117 55.300 -1.295 0.000 1.100 757 M CB 0.023 32.260 32.600 -0.605 0.000 1.351 757 M HN 0.030 nan 8.290 nan 0.000 0.404 758 K N -0.330 119.497 120.400 -0.956 0.000 2.044 758 K HA -0.255 4.064 4.320 -0.003 0.000 0.210 758 K C 1.919 178.207 176.600 -0.521 0.000 1.049 758 K CA 1.868 57.678 56.287 -0.794 0.000 0.927 758 K CB -0.109 31.970 32.500 -0.702 0.000 0.713 758 K HN 0.406 nan 8.250 nan 0.000 0.443 759 Q N 0.228 119.778 119.800 -0.416 0.000 2.020 759 Q HA -0.163 4.175 4.340 -0.003 0.000 0.202 759 Q C 2.141 178.080 176.000 -0.102 0.000 0.982 759 Q CA 1.810 57.492 55.803 -0.202 0.000 0.838 759 Q CB -0.648 28.016 28.738 -0.123 0.000 0.899 759 Q HN 0.581 nan 8.270 nan 0.000 0.423 760 F N -0.409 119.496 119.950 -0.075 0.000 2.333 760 F HA -0.038 4.488 4.527 -0.003 0.000 0.300 760 F C 1.889 177.675 175.800 -0.025 0.000 1.083 760 F CA 0.449 58.453 58.000 0.007 0.000 1.395 760 F CB -0.988 37.988 39.000 -0.040 0.000 1.056 760 F HN -0.052 nan 8.300 nan 0.000 0.529 761 I N 0.462 121.020 120.570 -0.019 0.000 2.286 761 I HA -0.149 4.019 4.170 -0.003 0.000 0.245 761 I C 2.586 178.626 176.117 -0.129 0.000 1.104 761 I CA 0.975 62.254 61.300 -0.035 0.000 1.397 761 I CB -0.432 37.442 38.000 -0.209 0.000 1.072 761 I HN 0.034 nan 8.210 nan 0.000 0.417 762 R N -0.276 120.136 120.500 -0.147 0.000 2.120 762 R HA -0.212 4.126 4.340 -0.003 0.000 0.234 762 R C 2.337 178.473 176.300 -0.273 0.000 1.123 762 R CA 1.563 57.528 56.100 -0.226 0.000 0.975 762 R CB -0.482 29.762 30.300 -0.094 0.000 0.866 762 R HN 0.355 nan 8.270 nan 0.000 0.446 763 Y N 1.437 121.623 120.300 -0.190 0.000 2.109 763 Y HA -0.142 4.406 4.550 -0.003 0.000 0.285 763 Y C 1.791 177.600 175.900 -0.151 0.000 1.131 763 Y CA 1.372 59.391 58.100 -0.135 0.000 1.121 763 Y CB -0.516 37.925 38.460 -0.033 0.000 0.987 763 Y HN -0.092 nan 8.280 nan 0.000 0.495 764 L N -0.199 120.771 121.223 -0.421 0.000 2.131 764 L HA -0.227 4.111 4.340 -0.003 0.000 0.210 764 L C 2.375 179.017 176.870 -0.380 0.000 1.092 764 L CA 0.703 55.230 54.840 -0.522 0.000 0.759 764 L CB -0.555 41.320 42.059 -0.306 0.000 0.903 764 L HN 0.322 nan 8.230 nan 0.000 0.435 765 I N -0.037 120.328 120.570 -0.342 0.000 2.202 765 I HA -0.235 3.933 4.170 -0.003 0.000 0.242 765 I C 2.889 178.815 176.117 -0.319 0.000 1.091 765 I CA 1.836 62.938 61.300 -0.331 0.000 1.368 765 I CB -1.193 36.588 38.000 -0.365 0.000 1.058 765 I HN 0.350 nan 8.210 nan 0.000 0.410 766 S N 1.147 116.584 115.700 -0.438 0.000 2.370 766 S HA -0.221 4.247 4.470 -0.003 0.000 0.226 766 S C 2.250 176.746 174.600 -0.174 0.000 1.033 766 S CA 1.864 59.853 58.200 -0.352 0.000 1.011 766 S CB -1.029 61.925 63.200 -0.410 0.000 0.852 766 S HN 0.572 nan 8.310 nan 0.000 0.457 767 S N 2.797 118.371 115.700 -0.210 0.000 2.370 767 S HA -0.195 4.273 4.470 -0.003 0.000 0.226 767 S C 1.704 176.237 174.600 -0.112 0.000 1.033 767 S CA 1.510 59.618 58.200 -0.153 0.000 1.011 767 S CB -1.191 61.856 63.200 -0.254 0.000 0.852 767 S HN 0.657 nan 8.310 nan 0.000 0.457 768 N N 0.976 119.594 118.700 -0.136 0.000 2.166 768 N HA -0.013 4.725 4.740 -0.003 0.000 0.186 768 N C 1.624 177.109 175.510 -0.040 0.000 1.019 768 N CA 1.279 54.284 53.050 -0.075 0.000 0.856 768 N CB -0.386 38.062 38.487 -0.066 0.000 0.993 768 N HN 0.289 nan 8.380 nan 0.000 0.426 769 V N 0.235 120.114 119.914 -0.060 0.000 2.261 769 V HA -0.171 3.948 4.120 -0.003 0.000 0.246 769 V C 2.382 178.469 176.094 -0.011 0.000 1.047 769 V CA 2.152 64.429 62.300 -0.039 0.000 1.015 769 V CB -1.254 30.529 31.823 -0.066 0.000 0.642 769 V HN 0.434 nan 8.190 nan 0.000 0.446 770 G N -0.757 108.040 108.800 -0.005 0.000 2.442 770 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.219 770 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.219 770 G C 1.444 176.360 174.900 0.028 0.000 1.141 770 G CA 0.915 46.030 45.100 0.024 0.000 0.763 770 G HN 0.587 nan 8.290 nan 0.000 0.554 771 E N -0.093 120.116 120.200 0.014 0.000 2.058 771 E HA -0.116 4.232 4.350 -0.003 0.000 0.194 771 E C 2.740 179.365 176.600 0.042 0.000 0.997 771 E CA 1.120 57.535 56.400 0.024 0.000 0.801 771 E CB -0.234 29.473 29.700 0.011 0.000 0.746 771 E HN 0.282 nan 8.360 nan 0.000 0.450 772 V N 1.152 121.088 119.914 0.037 0.000 2.287 772 V HA -0.275 3.844 4.120 -0.003 0.000 0.248 772 V C 2.419 178.576 176.094 0.104 0.000 1.053 772 V CA 1.542 63.876 62.300 0.056 0.000 1.027 772 V CB -0.476 31.362 31.823 0.025 0.000 0.646 772 V HN 0.141 nan 8.190 nan 0.000 0.447 773 V N -0.600 119.368 119.914 0.091 0.000 2.250 773 V HA -0.391 3.727 4.120 -0.003 0.000 0.250 773 V C 2.600 178.799 176.094 0.175 0.000 1.060 773 V CA 2.410 64.798 62.300 0.147 0.000 1.030 773 V CB -1.029 30.852 31.823 0.097 0.000 0.643 773 V HN 0.824 nan 8.190 nan 0.000 0.445 774 C N 0.437 119.800 119.300 0.105 0.000 2.359 774 C HA -0.220 4.238 4.460 -0.003 0.000 0.277 774 C C 2.614 177.662 174.990 0.097 0.000 1.192 774 C CA 1.524 60.591 59.018 0.081 0.000 1.759 774 C CB -1.133 26.639 27.740 0.054 0.000 2.038 774 C HN 0.542 nan 8.230 nan 0.000 0.448 775 I N 0.541 121.172 120.570 0.103 0.000 2.248 775 I HA -0.160 4.008 4.170 -0.003 0.000 0.248 775 I C 2.401 178.606 176.117 0.145 0.000 1.107 775 I CA 2.000 63.361 61.300 0.102 0.000 1.373 775 I CB -1.690 36.365 38.000 0.093 0.000 1.055 775 I HN 0.465 nan 8.210 nan 0.000 0.418 776 F N 1.767 121.744 119.950 0.045 0.000 2.134 776 F HA -0.163 4.363 4.527 -0.003 0.000 0.299 776 F C 2.309 178.151 175.800 0.069 0.000 1.097 776 F CA 1.510 59.543 58.000 0.055 0.000 1.264 776 F CB -0.361 38.666 39.000 0.045 0.000 1.001 776 F HN -0.094 nan 8.300 nan 0.000 0.479 777 L N -0.815 120.365 121.223 -0.071 0.000 2.072 777 L HA -0.169 4.170 4.340 -0.003 0.000 0.205 777 L C 2.326 179.137 176.870 -0.098 0.000 1.079 777 L CA 1.526 56.264 54.840 -0.170 0.000 0.752 777 L CB -1.247 40.806 42.059 -0.010 0.000 0.906 777 L HN 0.070 nan 8.230 nan 0.000 0.436 778 T N 0.208 114.759 114.554 -0.005 0.000 2.699 778 T HA -0.238 4.110 4.350 -0.003 0.000 0.268 778 T C 1.857 176.610 174.700 0.088 0.000 1.036 778 T CA 1.726 63.856 62.100 0.050 0.000 1.147 778 T CB -0.162 68.743 68.868 0.062 0.000 0.862 778 T HN 0.477 nan 8.240 nan 0.000 0.446 779 A N 0.590 123.444 122.820 0.055 0.000 2.030 779 A HA 0.565 4.883 4.320 -0.003 0.000 0.215 779 A C 2.481 180.084 177.584 0.033 0.000 1.164 779 A CA 1.025 53.156 52.037 0.157 0.000 0.697 779 A CB -0.604 18.509 19.000 0.189 0.000 0.827 779 A HN 0.460 nan 8.150 nan 0.000 0.457 780 A N -0.500 122.182 122.820 -0.229 0.000 2.121 780 A HA 0.178 4.497 4.320 -0.003 0.000 0.218 780 A C 1.717 179.214 177.584 -0.146 0.000 1.154 780 A CA 1.128 52.964 52.037 -0.335 0.000 0.679 780 A CB -0.324 18.171 19.000 -0.843 0.000 0.795 780 A HN 0.441 nan 8.150 nan 0.000 0.458 781 L N -2.142 119.035 121.223 -0.076 0.000 2.858 781 L HA 0.277 4.616 4.340 -0.003 0.000 0.251 781 L C 1.424 178.297 176.870 0.004 0.000 1.149 781 L CA 0.412 55.236 54.840 -0.025 0.000 0.955 781 L CB 0.008 42.060 42.059 -0.012 0.000 1.289 781 L HN 0.486 nan 8.230 nan 0.000 0.542 782 G N 1.477 110.313 108.800 0.061 0.000 2.198 782 G HA2 -0.266 3.692 3.960 -0.003 0.000 0.260 782 G HA3 -0.266 3.692 3.960 -0.003 0.000 0.260 782 G C 0.005 175.006 174.900 0.169 0.000 1.025 782 G CA 0.039 45.183 45.100 0.074 0.000 0.769 782 G HN 0.122 nan 8.290 nan 0.000 0.507 783 L N 0.051 121.383 121.223 0.182 0.000 2.479 783 L HA 0.557 4.895 4.340 -0.003 0.000 0.248 783 L C -1.533 175.428 176.870 0.152 0.000 1.205 783 L CA -1.821 53.099 54.840 0.133 0.000 0.817 783 L CB 0.048 42.149 42.059 0.069 0.000 1.162 783 L HN -0.088 nan 8.230 nan 0.000 0.486 784 P HA 0.117 nan 4.420 nan 0.000 0.278 784 P C -1.075 176.231 177.300 0.009 0.000 1.238 784 P CA -0.536 62.389 63.100 -0.291 0.000 0.794 784 P CB 0.337 31.755 31.700 -0.470 0.000 0.955 785 E N 1.651 121.874 120.200 0.039 0.000 2.757 785 E HA -0.083 4.265 4.350 -0.003 0.000 0.238 785 E C 0.955 177.585 176.600 0.051 0.000 1.057 785 E CA -0.035 56.388 56.400 0.038 0.000 0.952 785 E CB 0.143 29.855 29.700 0.020 0.000 0.934 785 E HN 0.427 nan 8.360 nan 0.000 0.518 786 A N 4.988 127.844 122.820 0.059 0.000 1.872 786 A HA -0.036 4.283 4.320 -0.003 0.000 0.214 786 A C 0.854 178.457 177.584 0.031 0.000 1.187 786 A CA 0.849 52.921 52.037 0.058 0.000 0.614 786 A CB 0.198 19.237 19.000 0.064 0.000 0.826 786 A HN 0.508 nan 8.150 nan 0.000 0.442 787 L N 0.205 121.449 121.223 0.034 0.000 2.386 787 L HA 0.491 4.830 4.340 -0.003 0.000 0.271 787 L C -0.922 175.971 176.870 0.040 0.000 0.993 787 L CA -0.718 54.145 54.840 0.037 0.000 0.819 787 L CB 1.981 44.067 42.059 0.044 0.000 1.294 787 L HN 0.103 nan 8.230 nan 0.000 0.414 788 I N 2.960 123.560 120.570 0.050 0.000 2.525 788 I HA 0.300 4.469 4.170 -0.003 0.000 0.301 788 I C -1.472 174.681 176.117 0.060 0.000 0.992 788 I CA -2.246 59.081 61.300 0.046 0.000 1.162 788 I CB 2.020 40.043 38.000 0.038 0.000 1.332 788 I HN 0.302 nan 8.210 nan 0.000 0.458 789 P HA -0.194 nan 4.420 nan 0.000 0.217 789 P C 1.776 179.117 177.300 0.069 0.000 1.162 789 P CA 1.419 64.550 63.100 0.052 0.000 0.901 789 P CB 0.217 31.941 31.700 0.040 0.000 0.793 790 V N -0.594 119.343 119.914 0.040 0.000 2.282 790 V HA -0.334 3.784 4.120 -0.003 0.000 0.249 790 V C 2.452 178.641 176.094 0.157 0.000 1.057 790 V CA 2.091 64.394 62.300 0.004 0.000 1.032 790 V CB -1.591 30.124 31.823 -0.179 0.000 0.645 790 V HN 0.197 nan 8.190 nan 0.000 0.447 791 Q N -0.142 119.791 119.800 0.221 0.000 1.993 791 Q HA -0.152 4.186 4.340 -0.003 0.000 0.202 791 Q C 2.374 178.568 176.000 0.324 0.000 0.984 791 Q CA 1.807 57.834 55.803 0.373 0.000 0.837 791 Q CB -0.406 28.479 28.738 0.245 0.000 0.902 791 Q HN 0.525 nan 8.270 nan 0.000 0.423 792 L N 0.598 121.939 121.223 0.196 0.000 2.021 792 L HA -0.279 4.059 4.340 -0.003 0.000 0.215 792 L C 2.417 179.377 176.870 0.151 0.000 1.074 792 L CA 1.248 56.175 54.840 0.145 0.000 0.760 792 L CB -0.712 41.399 42.059 0.087 0.000 0.889 792 L HN 0.319 nan 8.230 nan 0.000 0.433 793 L N -1.555 119.768 121.223 0.166 0.000 2.046 793 L HA -0.277 4.061 4.340 -0.003 0.000 0.208 793 L C 2.509 179.495 176.870 0.193 0.000 1.077 793 L CA 1.520 56.444 54.840 0.140 0.000 0.747 793 L CB -0.821 41.316 42.059 0.131 0.000 0.896 793 L HN 0.566 nan 8.230 nan 0.000 0.432 794 W N 1.134 122.521 121.300 0.144 0.000 2.332 794 W HA -0.210 4.448 4.660 -0.003 0.000 0.321 794 W C 2.222 178.790 176.519 0.081 0.000 1.219 794 W CA 1.950 59.390 57.345 0.158 0.000 1.277 794 W CB -0.317 29.306 29.460 0.271 0.000 1.161 794 W HN -0.073 nan 8.180 nan 0.000 0.476 795 V N 1.994 122.047 119.914 0.232 0.000 2.469 795 V HA -0.355 3.763 4.120 -0.003 0.000 0.251 795 V C 2.061 178.122 176.094 -0.054 0.000 1.064 795 V CA 2.271 64.616 62.300 0.074 0.000 1.066 795 V CB -1.019 30.878 31.823 0.123 0.000 0.667 795 V HN 0.212 nan 8.190 nan 0.000 0.461 796 N N -0.524 118.152 118.700 -0.040 0.000 2.376 796 N HA 0.087 4.826 4.740 -0.003 0.000 0.177 796 N C 1.626 177.056 175.510 -0.133 0.000 1.024 796 N CA 0.886 53.881 53.050 -0.092 0.000 0.893 796 N CB 0.103 38.553 38.487 -0.061 0.000 0.980 796 N HN 0.406 nan 8.380 nan 0.000 0.439 797 L N -0.688 120.446 121.223 -0.148 0.000 2.316 797 L HA 0.128 4.466 4.340 -0.003 0.000 0.207 797 L C 1.664 178.373 176.870 -0.270 0.000 1.070 797 L CA 0.431 55.161 54.840 -0.182 0.000 0.820 797 L CB 0.198 42.173 42.059 -0.141 0.000 0.992 797 L HN -0.089 nan 8.230 nan 0.000 0.466 798 V N -1.830 117.828 119.914 -0.427 0.000 2.840 798 V HA -0.058 4.060 4.120 -0.003 0.000 0.234 798 V C 2.299 178.166 176.094 -0.379 0.000 1.159 798 V CA 1.291 63.275 62.300 -0.527 0.000 1.194 798 V CB -0.060 31.143 31.823 -1.034 0.000 0.971 798 V HN 0.244 nan 8.190 nan 0.000 0.494 799 T N 0.441 114.756 114.554 -0.397 0.000 2.822 799 T HA -0.185 4.163 4.350 -0.003 0.000 0.270 799 T C 1.208 175.884 174.700 -0.041 0.000 1.064 799 T CA 1.928 63.956 62.100 -0.120 0.000 1.131 799 T CB -0.219 68.663 68.868 0.023 0.000 0.858 799 T HN 0.407 nan 8.240 nan 0.000 0.483 800 D N -0.289 120.065 120.400 -0.078 0.000 2.423 800 D HA 0.215 4.853 4.640 -0.003 0.000 0.208 800 D C 2.205 178.492 176.300 -0.021 0.000 1.068 800 D CA 0.326 54.318 54.000 -0.013 0.000 0.860 800 D CB -0.439 40.269 40.800 -0.153 0.000 0.992 800 D HN 0.403 nan 8.370 nan 0.000 0.504 801 G N 1.131 109.861 108.800 -0.118 0.000 2.418 801 G HA2 -0.171 3.787 3.960 -0.003 0.000 0.217 801 G HA3 -0.171 3.787 3.960 -0.003 0.000 0.217 801 G C 1.648 176.470 174.900 -0.130 0.000 1.158 801 G CA 0.442 45.451 45.100 -0.152 0.000 0.771 801 G HN 0.217 nan 8.290 nan 0.000 0.545 802 L N 0.912 122.079 121.223 -0.093 0.000 1.976 802 L HA -0.047 4.291 4.340 -0.003 0.000 0.209 802 L C 0.194 177.039 176.870 -0.042 0.000 1.071 802 L CA 1.281 56.084 54.840 -0.063 0.000 0.746 802 L CB -1.501 40.542 42.059 -0.027 0.000 0.890 802 L HN 0.150 nan 8.230 nan 0.000 0.432 803 P HA -0.209 nan 4.420 nan 0.000 0.216 803 P C 1.483 178.751 177.300 -0.054 0.000 1.153 803 P CA 1.922 65.012 63.100 -0.017 0.000 0.858 803 P CB -0.050 31.662 31.700 0.021 0.000 0.789 804 A N -0.177 122.683 122.820 0.066 0.000 1.841 804 A HA -0.253 4.065 4.320 -0.003 0.000 0.216 804 A C 2.396 179.803 177.584 -0.295 0.000 1.199 804 A CA 3.198 55.242 52.037 0.012 0.000 0.621 804 A CB -2.120 16.850 19.000 -0.050 0.000 0.835 804 A HN 0.350 nan 8.150 nan 0.000 0.445 805 T N -1.940 112.370 114.554 -0.408 0.000 2.803 805 T HA -0.010 4.338 4.350 -0.003 0.000 0.269 805 T C 1.872 176.219 174.700 -0.589 0.000 1.052 805 T CA 2.010 63.774 62.100 -0.560 0.000 1.136 805 T CB -0.652 67.949 68.868 -0.446 0.000 0.864 805 T HN 0.696 nan 8.240 nan 0.000 0.467 806 A N 1.667 124.275 122.820 -0.353 0.000 1.933 806 A HA 0.184 4.503 4.320 -0.003 0.000 0.218 806 A C 2.414 179.878 177.584 -0.200 0.000 1.175 806 A CA 1.316 53.204 52.037 -0.248 0.000 0.628 806 A CB -0.971 18.048 19.000 0.032 0.000 0.814 806 A HN 0.566 nan 8.150 nan 0.000 0.444 807 L N -0.400 120.750 121.223 -0.120 0.000 2.447 807 L HA -0.137 4.201 4.340 -0.003 0.000 0.225 807 L C 2.426 179.305 176.870 0.016 0.000 1.148 807 L CA 0.618 55.445 54.840 -0.022 0.000 0.808 807 L CB -0.371 41.702 42.059 0.022 0.000 0.928 807 L HN 0.511 nan 8.230 nan 0.000 0.448 808 G N -1.148 107.586 108.800 -0.109 0.000 2.744 808 G HA2 -0.147 3.811 3.960 -0.003 0.000 0.211 808 G HA3 -0.147 3.811 3.960 -0.003 0.000 0.211 808 G C 0.699 175.534 174.900 -0.108 0.000 1.143 808 G CA -0.089 44.962 45.100 -0.081 0.000 0.788 808 G HN 0.253 nan 8.290 nan 0.000 0.534 809 F N 1.042 120.982 119.950 -0.017 0.000 2.750 809 F HA 0.377 4.903 4.527 -0.003 0.000 0.297 809 F C 0.222 176.044 175.800 0.036 0.000 1.138 809 F CA -2.038 55.928 58.000 -0.057 0.000 1.346 809 F CB -0.719 38.138 39.000 -0.239 0.000 0.965 809 F HN -0.134 nan 8.300 nan 0.000 0.514 810 N N 3.397 122.199 118.700 0.171 0.000 2.492 810 N HA 0.100 4.838 4.740 -0.003 0.000 0.260 810 N C -2.450 173.123 175.510 0.106 0.000 1.215 810 N CA -1.547 51.574 53.050 0.118 0.000 0.923 810 N CB 0.199 38.714 38.487 0.046 0.000 1.092 810 N HN -0.022 nan 8.380 nan 0.000 0.448 811 P HA 0.094 nan 4.420 nan 0.000 0.263 811 P C -2.434 174.893 177.300 0.045 0.000 1.195 811 P CA -0.682 62.461 63.100 0.072 0.000 0.762 811 P CB -0.255 31.480 31.700 0.059 0.000 0.799 812 P HA 0.109 nan 4.420 nan 0.000 0.268 812 P C -0.254 177.058 177.300 0.020 0.000 1.205 812 P CA 0.215 63.333 63.100 0.029 0.000 0.771 812 P CB 0.299 32.017 31.700 0.030 0.000 0.858 813 D N 1.509 121.917 120.400 0.014 0.000 2.443 813 D HA 0.005 4.643 4.640 -0.003 0.000 0.239 813 D C 1.480 177.785 176.300 0.009 0.000 1.136 813 D CA 0.046 54.051 54.000 0.009 0.000 0.879 813 D CB 0.581 41.386 40.800 0.007 0.000 1.195 813 D HN 0.286 nan 8.370 nan 0.000 0.443 814 L N 1.174 122.401 121.223 0.007 0.000 2.141 814 L HA -0.139 4.199 4.340 -0.003 0.000 0.209 814 L C 1.668 178.541 176.870 0.005 0.000 1.094 814 L CA 0.985 55.828 54.840 0.006 0.000 0.763 814 L CB -0.288 41.774 42.059 0.005 0.000 0.908 814 L HN 0.434 nan 8.230 nan 0.000 0.437 815 D N -0.205 120.198 120.400 0.004 0.000 2.325 815 D HA -0.021 4.617 4.640 -0.003 0.000 0.225 815 D C 1.801 178.104 176.300 0.005 0.000 1.096 815 D CA 0.004 54.007 54.000 0.003 0.000 0.844 815 D CB -0.136 40.665 40.800 0.001 0.000 0.925 815 D HN 0.337 nan 8.370 nan 0.000 0.513 816 I N 0.173 120.747 120.570 0.008 0.000 2.229 816 I HA -0.285 3.883 4.170 -0.003 0.000 0.250 816 I C 2.022 178.143 176.117 0.007 0.000 1.096 816 I CA 1.057 62.363 61.300 0.010 0.000 1.358 816 I CB -0.235 37.772 38.000 0.013 0.000 1.047 816 I HN 0.063 nan 8.210 nan 0.000 0.422 817 M N -0.789 118.813 119.600 0.004 0.000 2.495 817 M HA 0.008 4.487 4.480 -0.003 0.000 0.237 817 M C 0.776 177.077 176.300 0.002 0.000 1.131 817 M CA 0.951 56.252 55.300 0.001 0.000 1.032 817 M CB -0.541 32.059 32.600 -0.001 0.000 1.513 817 M HN 0.162 nan 8.290 nan 0.000 0.488 818 D N 0.383 120.785 120.400 0.003 0.000 2.340 818 D HA 0.125 4.763 4.640 -0.003 0.000 0.217 818 D C 0.344 176.646 176.300 0.002 0.000 1.081 818 D CA 0.210 54.211 54.000 0.002 0.000 0.842 818 D CB 0.875 41.676 40.800 0.002 0.000 0.934 818 D HN 0.263 nan 8.370 nan 0.000 0.511 819 R N 1.381 121.883 120.500 0.003 0.000 2.637 819 R HA 0.326 4.665 4.340 -0.003 0.000 0.291 819 R C -2.270 174.031 176.300 0.003 0.000 0.963 819 R CA -1.600 54.502 56.100 0.004 0.000 0.901 819 R CB 2.196 32.501 30.300 0.007 0.000 1.160 819 R HN -0.071 nan 8.270 nan 0.000 0.457 820 P HA 0.024 nan 4.420 nan 0.000 0.273 820 P C -2.528 174.770 177.300 -0.003 0.000 1.258 820 P CA -0.823 62.277 63.100 0.001 0.000 0.802 820 P CB -0.327 31.375 31.700 0.003 0.000 1.040 821 P HA 0.202 nan 4.420 nan 0.000 0.275 821 P C 0.087 177.373 177.300 -0.023 0.000 1.227 821 P CA -0.172 62.917 63.100 -0.018 0.000 0.781 821 P CB 0.636 32.326 31.700 -0.016 0.000 0.906 822 R N 1.942 122.416 120.500 -0.044 0.000 2.679 822 R HA 0.134 4.472 4.340 -0.003 0.000 0.268 822 R C 0.237 176.502 176.300 -0.058 0.000 1.044 822 R CA -0.007 56.060 56.100 -0.056 0.000 1.105 822 R CB 0.174 30.404 30.300 -0.117 0.000 0.989 822 R HN 0.447 nan 8.270 nan 0.000 0.447 823 S N 3.681 119.359 115.700 -0.037 0.000 2.489 823 S HA 0.233 4.701 4.470 -0.003 0.000 0.277 823 S C -1.732 172.839 174.600 -0.049 0.000 1.230 823 S CA -1.728 56.456 58.200 -0.026 0.000 1.053 823 S CB 1.339 64.539 63.200 -0.001 0.000 0.955 823 S HN 0.553 nan 8.310 nan 0.000 0.488 824 P HA -0.039 nan 4.420 nan 0.000 0.217 824 P C 0.585 177.868 177.300 -0.028 0.000 1.150 824 P CA 1.175 64.237 63.100 -0.063 0.000 0.832 824 P CB 0.127 31.800 31.700 -0.045 0.000 0.787 825 K N -0.125 120.272 120.400 -0.005 0.000 2.555 825 K HA -0.047 4.271 4.320 -0.003 0.000 0.193 825 K C 0.716 177.334 176.600 0.029 0.000 1.032 825 K CA 0.082 56.378 56.287 0.015 0.000 1.004 825 K CB -0.255 32.256 32.500 0.018 0.000 0.804 825 K HN 0.315 nan 8.250 nan 0.000 0.496 826 E N 3.093 123.309 120.200 0.026 0.000 2.406 826 E HA 0.005 4.353 4.350 -0.003 0.000 0.258 826 E C -2.163 174.481 176.600 0.074 0.000 1.043 826 E CA -1.747 54.682 56.400 0.050 0.000 0.929 826 E CB 0.536 30.265 29.700 0.049 0.000 0.969 826 E HN -0.026 nan 8.360 nan 0.000 0.462 827 P HA -0.014 nan 4.420 nan 0.000 0.274 827 P C 0.361 177.727 177.300 0.110 0.000 1.231 827 P CA -0.093 63.067 63.100 0.100 0.000 0.790 827 P CB 1.074 32.841 31.700 0.111 0.000 0.951 828 L N 0.921 122.203 121.223 0.099 0.000 2.270 828 L HA 0.171 4.509 4.340 -0.003 0.000 0.210 828 L C 0.841 177.764 176.870 0.088 0.000 1.104 828 L CA 0.917 55.802 54.840 0.074 0.000 0.804 828 L CB 0.079 42.147 42.059 0.014 0.000 0.937 828 L HN 0.339 nan 8.230 nan 0.000 0.450 829 I N -0.735 119.905 120.570 0.116 0.000 2.534 829 I HA 0.205 4.373 4.170 -0.003 0.000 0.286 829 I C -0.620 175.645 176.117 0.246 0.000 1.094 829 I CA -0.190 61.207 61.300 0.161 0.000 1.055 829 I CB 1.883 39.937 38.000 0.091 0.000 1.225 829 I HN -0.049 nan 8.210 nan 0.000 0.435 830 S N 3.533 119.400 115.700 0.278 0.000 2.672 830 S HA 0.892 5.361 4.470 -0.003 0.000 0.271 830 S C 0.151 174.918 174.600 0.278 0.000 1.171 830 S CA -0.235 58.159 58.200 0.323 0.000 0.817 830 S CB 1.298 64.624 63.200 0.210 0.000 1.150 830 S HN 1.256 nan 8.310 nan 0.000 0.478 831 G N 1.324 110.248 108.800 0.207 0.000 2.578 831 G HA2 -0.372 3.586 3.960 -0.003 0.000 0.313 831 G HA3 -0.372 3.586 3.960 -0.003 0.000 0.313 831 G C 0.869 175.922 174.900 0.256 0.000 1.324 831 G CA 0.710 45.925 45.100 0.190 0.000 0.955 831 G HN 1.394 nan 8.290 nan 0.000 0.541 832 W N -0.393 120.972 121.300 0.109 0.000 2.292 832 W HA -0.187 4.471 4.660 -0.003 0.000 0.304 832 W C 2.344 178.968 176.519 0.175 0.000 1.228 832 W CA 2.387 59.809 57.345 0.127 0.000 1.241 832 W CB -0.315 29.186 29.460 0.068 0.000 1.142 832 W HN 0.447 nan 8.180 nan 0.000 0.520 833 L N 0.499 121.775 121.223 0.089 0.000 2.046 833 L HA -0.163 4.175 4.340 -0.003 0.000 0.208 833 L C 2.484 179.319 176.870 -0.058 0.000 1.077 833 L CA 2.150 56.950 54.840 -0.067 0.000 0.747 833 L CB -1.714 40.406 42.059 0.102 0.000 0.896 833 L HN 0.039 nan 8.230 nan 0.000 0.432 834 F N -1.089 118.865 119.950 0.007 0.000 2.115 834 F HA -0.375 4.150 4.527 -0.003 0.000 0.300 834 F C 2.282 178.072 175.800 -0.015 0.000 1.092 834 F CA 1.912 59.953 58.000 0.068 0.000 1.245 834 F CB -0.309 38.745 39.000 0.090 0.000 0.995 834 F HN 0.210 nan 8.300 nan 0.000 0.481 835 F N 1.132 121.123 119.950 0.067 0.000 2.146 835 F HA -0.116 4.409 4.527 -0.003 0.000 0.298 835 F C 2.453 178.040 175.800 -0.355 0.000 1.096 835 F CA 1.603 59.505 58.000 -0.162 0.000 1.275 835 F CB -0.552 38.178 39.000 -0.449 0.000 1.008 835 F HN -0.200 nan 8.300 nan 0.000 0.480 836 R N -1.241 118.908 120.500 -0.584 0.000 2.073 836 R HA -0.209 4.130 4.340 -0.003 0.000 0.234 836 R C 2.111 178.118 176.300 -0.488 0.000 1.134 836 R CA 2.011 57.732 56.100 -0.632 0.000 0.952 836 R CB -0.735 29.156 30.300 -0.681 0.000 0.850 836 R HN 0.313 nan 8.270 nan 0.000 0.433 837 Y N -0.285 119.884 120.300 -0.219 0.000 2.373 837 Y HA -0.105 4.443 4.550 -0.003 0.000 0.293 837 Y C 2.174 177.950 175.900 -0.206 0.000 1.129 837 Y CA 0.751 58.739 58.100 -0.186 0.000 1.226 837 Y CB -0.338 38.004 38.460 -0.196 0.000 1.000 837 Y HN 0.028 nan 8.280 nan 0.000 0.549 838 M N 0.116 119.646 119.600 -0.117 0.000 2.159 838 M HA -0.110 4.368 4.480 -0.003 0.000 0.263 838 M C 2.106 178.282 176.300 -0.206 0.000 1.063 838 M CA 1.951 57.182 55.300 -0.113 0.000 1.110 838 M CB -0.349 32.239 32.600 -0.020 0.000 1.374 838 M HN 0.145 nan 8.290 nan 0.000 0.411 839 A N -0.395 122.201 122.820 -0.374 0.000 1.943 839 A HA 0.064 4.382 4.320 -0.003 0.000 0.213 839 A C 1.955 179.481 177.584 -0.096 0.000 1.181 839 A CA 0.892 52.742 52.037 -0.311 0.000 0.653 839 A CB -0.592 18.111 19.000 -0.494 0.000 0.833 839 A HN 0.475 nan 8.150 nan 0.000 0.451 840 I N 0.289 120.817 120.570 -0.070 0.000 2.252 840 I HA -0.163 4.005 4.170 -0.003 0.000 0.245 840 I C 2.653 178.841 176.117 0.117 0.000 1.102 840 I CA 1.621 62.949 61.300 0.047 0.000 1.385 840 I CB -1.875 36.179 38.000 0.091 0.000 1.064 840 I HN 0.342 nan 8.210 nan 0.000 0.414 841 G N 0.799 109.642 108.800 0.072 0.000 2.421 841 G HA2 -0.184 3.775 3.960 -0.003 0.000 0.216 841 G HA3 -0.184 3.775 3.960 -0.003 0.000 0.216 841 G C 1.767 176.708 174.900 0.067 0.000 1.171 841 G CA 0.824 45.959 45.100 0.060 0.000 0.775 841 G HN 0.462 nan 8.290 nan 0.000 0.543 842 G N -0.273 108.556 108.800 0.047 0.000 2.475 842 G HA2 -0.305 3.654 3.960 -0.003 0.000 0.220 842 G HA3 -0.305 3.654 3.960 -0.003 0.000 0.220 842 G C 1.584 176.537 174.900 0.087 0.000 1.125 842 G CA 1.263 46.397 45.100 0.056 0.000 0.755 842 G HN 0.466 nan 8.290 nan 0.000 0.565 843 Y N 1.235 121.532 120.300 -0.004 0.000 2.114 843 Y HA -0.078 4.470 4.550 -0.003 0.000 0.284 843 Y C 2.929 178.840 175.900 0.018 0.000 1.119 843 Y CA 2.079 60.183 58.100 0.007 0.000 1.108 843 Y CB -0.618 37.842 38.460 -0.000 0.000 0.995 843 Y HN 0.113 nan 8.280 nan 0.000 0.491 844 V N -0.229 119.768 119.914 0.138 0.000 2.568 844 V HA -0.154 3.964 4.120 -0.003 0.000 0.253 844 V C 2.116 178.190 176.094 -0.034 0.000 1.072 844 V CA 2.282 64.606 62.300 0.040 0.000 1.084 844 V CB -1.610 30.280 31.823 0.112 0.000 0.676 844 V HN 0.493 nan 8.190 nan 0.000 0.469 845 G N -0.516 108.283 108.800 -0.003 0.000 2.422 845 G HA2 -0.042 3.917 3.960 -0.003 0.000 0.218 845 G HA3 -0.042 3.917 3.960 -0.003 0.000 0.218 845 G C 1.654 176.541 174.900 -0.022 0.000 1.140 845 G CA 1.061 46.169 45.100 0.014 0.000 0.775 845 G HN 0.924 nan 8.290 nan 0.000 0.545 846 A N 1.007 123.770 122.820 -0.095 0.000 1.878 846 A HA 0.507 4.826 4.320 -0.003 0.000 0.213 846 A C 2.788 180.264 177.584 -0.180 0.000 1.192 846 A CA 1.683 53.645 52.037 -0.126 0.000 0.619 846 A CB -0.761 18.137 19.000 -0.169 0.000 0.837 846 A HN 0.662 nan 8.150 nan 0.000 0.446 847 A N 0.152 122.778 122.820 -0.323 0.000 1.940 847 A HA -0.152 4.166 4.320 -0.003 0.000 0.219 847 A C 2.424 179.936 177.584 -0.121 0.000 1.176 847 A CA 2.753 54.625 52.037 -0.275 0.000 0.631 847 A CB -1.413 17.386 19.000 -0.335 0.000 0.814 847 A HN 0.694 nan 8.150 nan 0.000 0.446 848 T N -2.771 111.737 114.554 -0.077 0.000 2.770 848 T HA -0.072 4.277 4.350 -0.003 0.000 0.263 848 T C 1.735 176.436 174.700 0.001 0.000 1.039 848 T CA 1.345 63.428 62.100 -0.027 0.000 1.142 848 T CB -0.835 68.030 68.868 -0.005 0.000 0.868 848 T HN 0.049 nan 8.240 nan 0.000 0.435 849 V N 2.109 122.028 119.914 0.008 0.000 2.261 849 V HA -0.014 4.104 4.120 -0.003 0.000 0.246 849 V C 3.078 179.211 176.094 0.065 0.000 1.047 849 V CA 2.073 64.398 62.300 0.041 0.000 1.015 849 V CB -1.423 30.422 31.823 0.036 0.000 0.642 849 V HN 0.698 nan 8.190 nan 0.000 0.446 850 G N -0.724 108.097 108.800 0.034 0.000 2.418 850 G HA2 -0.199 3.760 3.960 -0.003 0.000 0.217 850 G HA3 -0.199 3.760 3.960 -0.003 0.000 0.217 850 G C 1.795 176.765 174.900 0.118 0.000 1.158 850 G CA 0.985 46.124 45.100 0.065 0.000 0.771 850 G HN 0.611 nan 8.290 nan 0.000 0.545 851 A N 1.171 124.020 122.820 0.048 0.000 1.917 851 A HA 0.112 4.430 4.320 -0.003 0.000 0.219 851 A C 2.782 180.480 177.584 0.190 0.000 1.182 851 A CA 2.587 54.657 52.037 0.056 0.000 0.633 851 A CB -0.747 18.231 19.000 -0.037 0.000 0.819 851 A HN 0.805 nan 8.150 nan 0.000 0.448 852 A N -0.509 122.400 122.820 0.148 0.000 1.872 852 A HA 0.286 4.604 4.320 -0.003 0.000 0.214 852 A C 2.533 180.299 177.584 0.302 0.000 1.187 852 A CA 1.816 53.946 52.037 0.156 0.000 0.614 852 A CB -1.094 17.982 19.000 0.127 0.000 0.826 852 A HN 1.105 nan 8.150 nan 0.000 0.442 853 A N -1.307 121.725 122.820 0.353 0.000 1.908 853 A HA -0.222 4.096 4.320 -0.003 0.000 0.218 853 A C 1.991 179.800 177.584 0.376 0.000 1.181 853 A CA 1.625 53.918 52.037 0.427 0.000 0.627 853 A CB -1.069 18.082 19.000 0.252 0.000 0.818 853 A HN 0.925 nan 8.150 nan 0.000 0.445 854 W N -1.086 120.304 121.300 0.150 0.000 2.387 854 W HA -0.154 4.504 4.660 -0.002 0.000 0.272 854 W C 1.753 178.353 176.519 0.135 0.000 1.224 854 W CA 1.418 58.836 57.345 0.121 0.000 1.210 854 W CB -0.243 29.240 29.460 0.039 0.000 1.125 854 W HN 0.519 nan 8.180 nan 0.000 0.572 855 W N -0.137 121.096 121.300 -0.113 0.000 2.494 855 W HA -0.041 4.617 4.660 -0.003 0.000 0.286 855 W C 1.856 178.089 176.519 -0.475 0.000 1.218 855 W CA 1.717 58.792 57.345 -0.451 0.000 1.313 855 W CB -0.944 28.306 29.460 -0.349 0.000 1.105 855 W HN -0.137 nan 8.180 nan 0.000 0.561 856 F N 1.177 121.081 119.950 -0.078 0.000 2.010 856 F HA -0.121 4.404 4.527 -0.003 0.000 0.296 856 F C 1.802 177.333 175.800 -0.448 0.000 1.146 856 F CA 1.976 59.809 58.000 -0.279 0.000 1.181 856 F CB -1.356 37.595 39.000 -0.082 0.000 0.965 856 F HN -0.270 nan 8.300 nan 0.000 0.480 857 M N -2.256 117.274 119.600 -0.117 0.000 2.300 857 M HA 0.369 4.848 4.480 -0.003 0.000 0.348 857 M C -0.865 175.262 176.300 -0.288 0.000 1.151 857 M CA -0.652 54.474 55.300 -0.290 0.000 1.046 857 M CB 1.589 34.029 32.600 -0.267 0.000 1.647 857 M HN 0.397 nan 8.290 nan 0.000 0.451 858 Y N -0.865 119.176 120.300 -0.431 0.000 4.839 858 Y HA -0.178 4.371 4.550 -0.003 0.000 0.288 858 Y C 0.406 175.877 175.900 -0.715 0.000 0.883 858 Y CA 0.915 58.731 58.100 -0.473 0.000 1.671 858 Y CB -1.825 36.386 38.460 -0.415 0.000 1.041 858 Y HN 1.010 nan 8.280 nan 0.000 0.450 859 A N 0.420 122.753 122.820 -0.810 0.000 2.294 859 A HA 0.696 5.015 4.320 -0.003 0.000 0.330 859 A C 1.053 178.321 177.584 -0.525 0.000 1.133 859 A CA -0.254 51.256 52.037 -0.877 0.000 0.836 859 A CB 0.710 18.967 19.000 -1.239 0.000 1.190 859 A HN 0.118 nan 8.150 nan 0.000 0.492 860 E N 0.660 120.667 120.200 -0.322 0.000 2.299 860 E HA -0.070 4.278 4.350 -0.003 0.000 0.193 860 E C 0.434 176.895 176.600 -0.231 0.000 0.998 860 E CA 1.129 57.403 56.400 -0.209 0.000 0.851 860 E CB -0.105 29.545 29.700 -0.082 0.000 0.795 860 E HN 0.732 nan 8.360 nan 0.000 0.492 861 D N 0.317 120.555 120.400 -0.269 0.000 2.183 861 D HA 0.024 4.662 4.640 -0.003 0.000 0.205 861 D C 0.921 176.929 176.300 -0.486 0.000 0.962 861 D CA 0.991 54.870 54.000 -0.201 0.000 0.849 861 D CB 0.002 40.851 40.800 0.082 0.000 0.978 861 D HN 0.104 nan 8.370 nan 0.000 0.488 862 G N 0.476 108.659 108.800 -1.029 0.000 2.389 862 G HA2 0.451 4.409 3.960 -0.003 0.000 0.328 862 G HA3 0.451 4.409 3.960 -0.003 0.000 0.328 862 G C -2.544 171.867 174.900 -0.815 0.000 1.133 862 G CA -1.328 42.910 45.100 -1.437 0.000 0.891 862 G HN -0.131 nan 8.290 nan 0.000 0.485 863 P HA 0.095 nan 4.420 nan 0.000 0.268 863 P C 0.716 177.812 177.300 -0.339 0.000 1.282 863 P CA 0.075 62.953 63.100 -0.370 0.000 0.880 863 P CB 0.492 32.028 31.700 -0.274 0.000 0.971 864 G N 3.021 111.623 108.800 -0.331 0.000 2.298 864 G HA2 0.004 3.962 3.960 -0.003 0.000 0.284 864 G HA3 0.004 3.962 3.960 -0.003 0.000 0.284 864 G C 0.869 175.621 174.900 -0.246 0.000 1.013 864 G CA -0.307 44.596 45.100 -0.329 0.000 1.365 864 G HN 0.493 nan 8.290 nan 0.000 0.415 865 V N 3.676 123.432 119.914 -0.263 0.000 3.577 865 V HA 0.131 4.250 4.120 -0.003 0.000 0.294 865 V C 1.629 177.511 176.094 -0.352 0.000 1.317 865 V CA 0.543 62.649 62.300 -0.324 0.000 1.169 865 V CB -0.967 30.581 31.823 -0.457 0.000 1.011 865 V HN 0.779 nan 8.190 nan 0.000 0.426 866 T N 1.275 115.632 114.554 -0.329 0.000 2.510 866 T HA -0.234 4.114 4.350 -0.003 0.000 0.218 866 T C 0.203 174.796 174.700 -0.177 0.000 1.031 866 T CA 1.109 62.966 62.100 -0.405 0.000 1.169 866 T CB -0.655 67.870 68.868 -0.571 0.000 1.007 866 T HN 0.722 nan 8.240 nan 0.000 0.462 867 Y N 2.450 122.709 120.300 -0.068 0.000 3.225 867 Y HA -0.196 4.352 4.550 -0.003 0.000 0.211 867 Y C 0.437 176.339 175.900 0.005 0.000 1.223 867 Y CA 1.751 59.851 58.100 0.000 0.000 1.284 867 Y CB -2.362 36.108 38.460 0.015 0.000 1.367 867 Y HN 1.075 nan 8.280 nan 0.000 0.566 868 H N -0.894 118.151 119.070 -0.043 0.000 2.954 868 H HA 0.418 4.972 4.556 -0.003 0.000 0.361 868 H C -0.698 174.595 175.328 -0.060 0.000 1.122 868 H CA -1.145 54.815 56.048 -0.146 0.000 1.217 868 H CB 0.891 30.465 29.762 -0.314 0.000 1.776 868 H HN 0.113 nan 8.280 nan 0.000 0.533 869 Q N 4.273 124.247 119.800 0.289 0.000 2.858 869 Q HA -0.086 4.252 4.340 -0.003 0.000 0.326 869 Q C 0.314 176.384 176.000 0.116 0.000 1.176 869 Q CA 0.427 56.405 55.803 0.292 0.000 1.124 869 Q CB 0.064 29.129 28.738 0.544 0.000 1.044 869 Q HN 0.756 nan 8.270 nan 0.000 0.423 870 L N 3.481 124.679 121.223 -0.041 0.000 2.270 870 L HA -0.105 4.233 4.340 -0.003 0.000 0.210 870 L C 2.158 179.053 176.870 0.041 0.000 1.104 870 L CA 2.154 56.957 54.840 -0.062 0.000 0.804 870 L CB -0.710 41.255 42.059 -0.157 0.000 0.937 870 L HN 0.726 nan 8.230 nan 0.000 0.450 871 T N -2.232 112.356 114.554 0.058 0.000 2.665 871 T HA -0.289 4.059 4.350 -0.003 0.000 0.268 871 T C 1.448 176.070 174.700 -0.129 0.000 1.035 871 T CA 2.038 64.136 62.100 -0.004 0.000 1.151 871 T CB -1.106 67.697 68.868 -0.109 0.000 0.862 871 T HN 0.556 nan 8.240 nan 0.000 0.438 872 H N 1.393 120.432 119.070 -0.051 0.000 2.566 872 H HA 0.300 4.854 4.556 -0.003 0.000 0.280 872 H C 1.373 176.511 175.328 -0.317 0.000 1.042 872 H CA -0.063 55.883 56.048 -0.169 0.000 1.168 872 H CB -1.181 28.538 29.762 -0.072 0.000 1.340 872 H HN 0.679 nan 8.280 nan 0.000 0.597 873 F N -0.479 119.263 119.950 -0.346 0.000 2.225 873 F HA -0.290 4.235 4.527 -0.003 0.000 0.302 873 F C 1.753 177.204 175.800 -0.582 0.000 1.068 873 F CA 1.205 58.734 58.000 -0.785 0.000 1.327 873 F CB -0.577 37.473 39.000 -1.583 0.000 1.043 873 F HN 0.138 nan 8.300 nan 0.000 0.506 874 M N 0.703 119.406 119.600 -1.496 0.000 2.132 874 M HA -0.116 4.362 4.480 -0.003 0.000 0.263 874 M C 0.930 176.969 176.300 -0.435 0.000 1.065 874 M CA 1.286 55.971 55.300 -1.026 0.000 1.122 874 M CB -0.544 31.436 32.600 -1.033 0.000 1.365 874 M HN 0.369 nan 8.290 nan 0.000 0.411 875 Q N -0.245 119.364 119.800 -0.317 0.000 2.472 875 Q HA 0.153 4.491 4.340 -0.003 0.000 0.227 875 Q C 0.261 176.219 176.000 -0.070 0.000 1.156 875 Q CA -0.399 55.327 55.803 -0.129 0.000 0.924 875 Q CB 1.050 29.749 28.738 -0.065 0.000 1.354 875 Q HN 0.316 nan 8.270 nan 0.000 0.525 876 c N 2.005 120.586 118.600 -0.031 0.000 3.003 876 c HA 0.070 4.638 4.570 -0.003 0.000 0.499 876 c C 2.085 176.242 174.090 0.110 0.000 1.327 876 c CA 0.887 57.248 56.329 0.052 0.000 2.544 876 c CB 0.318 42.862 42.510 0.056 0.000 3.143 876 c HN 0.874 nan 8.230 nan 0.000 0.510 877 T N 1.466 116.061 114.554 0.067 0.000 2.849 877 T HA -0.133 4.215 4.350 -0.003 0.000 0.270 877 T C 1.224 176.040 174.700 0.193 0.000 1.066 877 T CA 2.173 64.295 62.100 0.037 0.000 1.130 877 T CB -0.185 68.682 68.868 -0.002 0.000 0.864 877 T HN 0.639 nan 8.240 nan 0.000 0.481 878 E N 1.046 121.343 120.200 0.161 0.000 2.030 878 E HA -0.019 4.330 4.350 -0.003 0.000 0.189 878 E C 1.935 178.626 176.600 0.152 0.000 0.974 878 E CA 0.647 57.138 56.400 0.152 0.000 0.807 878 E CB -0.195 29.543 29.700 0.063 0.000 0.771 878 E HN 0.160 nan 8.360 nan 0.000 0.451 879 D N 0.268 120.737 120.400 0.114 0.000 2.378 879 D HA -0.110 4.528 4.640 -0.003 0.000 0.227 879 D C 1.402 177.752 176.300 0.083 0.000 1.012 879 D CA 0.279 54.325 54.000 0.076 0.000 0.905 879 D CB -0.095 40.742 40.800 0.062 0.000 0.895 879 D HN 0.407 nan 8.370 nan 0.000 0.532 880 H N -0.519 118.575 119.070 0.040 0.000 2.390 880 H HA -0.078 4.476 4.556 -0.003 0.000 0.298 880 H C -1.122 174.235 175.328 0.048 0.000 1.106 880 H CA 0.913 56.992 56.048 0.051 0.000 1.297 880 H CB -2.105 27.692 29.762 0.058 0.000 1.375 880 H HN 0.204 nan 8.280 nan 0.000 0.509 881 P HA -0.093 nan 4.420 nan 0.000 0.223 881 P C 0.347 177.627 177.300 -0.033 0.000 1.144 881 P CA 1.318 64.300 63.100 -0.197 0.000 0.783 881 P CB -0.302 31.243 31.700 -0.257 0.000 0.771 882 H N -0.847 118.144 119.070 -0.131 0.000 2.685 882 H HA 0.135 4.689 4.556 -0.003 0.000 0.307 882 H C -0.252 175.050 175.328 -0.044 0.000 1.017 882 H CA -0.914 55.017 56.048 -0.196 0.000 1.237 882 H CB 0.049 29.643 29.762 -0.281 0.000 1.409 882 H HN -0.182 nan 8.280 nan 0.000 0.488 883 F N 2.924 122.748 119.950 -0.210 0.000 3.057 883 F HA -0.229 4.296 4.527 -0.003 0.000 0.287 883 F C -0.107 175.550 175.800 -0.239 0.000 0.834 883 F CA 0.961 58.726 58.000 -0.392 0.000 1.147 883 F CB -1.909 36.679 39.000 -0.688 0.000 1.245 883 F HN 0.705 nan 8.300 nan 0.000 0.509 884 E N -1.023 119.249 120.200 0.119 0.000 3.544 884 E HA 0.450 4.798 4.350 -0.003 0.000 0.264 884 E C 0.935 177.641 176.600 0.177 0.000 1.225 884 E CA 0.382 56.890 56.400 0.179 0.000 1.045 884 E CB 0.368 30.204 29.700 0.227 0.000 1.338 884 E HN 0.225 nan 8.360 nan 0.000 0.395 885 G N 1.362 110.238 108.800 0.127 0.000 3.374 885 G HA2 0.353 4.311 3.960 -0.003 0.000 0.252 885 G HA3 0.353 4.311 3.960 -0.003 0.000 0.252 885 G C 0.089 175.040 174.900 0.085 0.000 1.326 885 G CA 0.178 45.343 45.100 0.107 0.000 1.133 885 G HN 0.200 nan 8.290 nan 0.000 0.528 886 L N -4.103 117.177 121.223 0.096 0.000 2.251 886 L HA 0.744 5.082 4.340 -0.003 0.000 0.244 886 L C -0.988 175.912 176.870 0.051 0.000 1.095 886 L CA -1.764 53.108 54.840 0.053 0.000 0.910 886 L CB 0.775 42.851 42.059 0.028 0.000 1.516 886 L HN -0.130 nan 8.230 nan 0.000 0.429 887 D N -0.346 120.066 120.400 0.020 0.000 2.325 887 D HA 0.224 4.862 4.640 -0.003 0.000 0.251 887 D C -0.457 175.889 176.300 0.077 0.000 1.196 887 D CA -0.189 53.825 54.000 0.023 0.000 0.866 887 D CB 0.884 41.686 40.800 0.004 0.000 1.101 887 D HN 0.689 nan 8.370 nan 0.000 0.476 888 c N 4.551 123.229 118.600 0.130 0.000 3.329 888 c HA 0.198 4.766 4.570 -0.003 0.000 0.537 888 c C 1.380 175.640 174.090 0.284 0.000 1.034 888 c CA -0.165 56.341 56.329 0.295 0.000 1.086 888 c CB -1.851 40.790 42.510 0.219 0.000 1.392 888 c HN 0.769 nan 8.230 nan 0.000 0.612 889 E N -0.446 119.887 120.200 0.221 0.000 2.629 889 E HA 0.112 4.460 4.350 -0.003 0.000 0.203 889 E C 1.458 178.126 176.600 0.114 0.000 0.939 889 E CA -0.054 56.454 56.400 0.179 0.000 1.439 889 E CB 0.119 29.875 29.700 0.094 0.000 1.490 889 E HN 0.564 nan 8.360 nan 0.000 0.804 890 I N 0.864 121.409 120.570 -0.041 0.000 2.194 890 I HA -0.263 3.905 4.170 -0.003 0.000 0.246 890 I C 1.611 177.767 176.117 0.066 0.000 1.093 890 I CA 1.365 62.617 61.300 -0.080 0.000 1.355 890 I CB -0.532 37.283 38.000 -0.307 0.000 1.046 890 I HN 0.107 nan 8.210 nan 0.000 0.413 891 F N 1.335 121.437 119.950 0.253 0.000 2.236 891 F HA -0.203 4.322 4.527 -0.003 0.000 0.302 891 F C 2.484 178.353 175.800 0.115 0.000 1.073 891 F CA 1.219 59.303 58.000 0.139 0.000 1.336 891 F CB -0.745 38.139 39.000 -0.194 0.000 1.040 891 F HN 0.137 nan 8.300 nan 0.000 0.507 892 E N 0.603 120.947 120.200 0.241 0.000 2.427 892 E HA 0.098 4.446 4.350 -0.003 0.000 0.196 892 E C 1.242 177.875 176.600 0.056 0.000 1.028 892 E CA 0.452 56.933 56.400 0.134 0.000 0.864 892 E CB -0.308 29.460 29.700 0.112 0.000 0.813 892 E HN 0.289 nan 8.360 nan 0.000 0.514 893 A N 2.765 125.612 122.820 0.045 0.000 2.586 893 A HA 0.002 4.320 4.320 -0.003 0.000 0.231 893 A C -1.492 175.945 177.584 -0.245 0.000 1.055 893 A CA -0.581 51.395 52.037 -0.102 0.000 0.756 893 A CB 0.092 19.024 19.000 -0.113 0.000 0.988 893 A HN -0.079 nan 8.150 nan 0.000 0.509 894 P HA 0.016 nan 4.420 nan 0.000 0.220 894 P C 0.947 177.940 177.300 -0.512 0.000 1.154 894 P CA 0.778 63.687 63.100 -0.319 0.000 0.830 894 P CB 0.197 31.756 31.700 -0.235 0.000 0.803 895 E N 0.699 120.426 120.200 -0.788 0.000 2.068 895 E HA -0.194 4.154 4.350 -0.003 0.000 0.207 895 E C -0.454 175.492 176.600 -1.091 0.000 1.032 895 E CA 2.481 58.223 56.400 -1.097 0.000 0.839 895 E CB -2.349 26.216 29.700 -1.892 0.000 0.758 895 E HN 0.373 nan 8.360 nan 0.000 0.457 896 P HA -0.236 nan 4.420 nan 0.000 0.214 896 P C 1.440 178.532 177.300 -0.347 0.000 1.169 896 P CA 1.876 64.556 63.100 -0.700 0.000 0.908 896 P CB -0.135 31.140 31.700 -0.708 0.000 0.791 897 M N -0.826 118.605 119.600 -0.281 0.000 2.086 897 M HA -0.100 4.378 4.480 -0.003 0.000 0.261 897 M C 2.150 178.344 176.300 -0.177 0.000 1.067 897 M CA 2.295 57.502 55.300 -0.155 0.000 1.116 897 M CB -1.475 31.061 32.600 -0.108 0.000 1.348 897 M HN -0.069 nan 8.290 nan 0.000 0.407 898 T N 0.370 114.767 114.554 -0.261 0.000 2.996 898 T HA -0.093 4.255 4.350 -0.003 0.000 0.271 898 T C 1.709 176.236 174.700 -0.288 0.000 1.126 898 T CA 0.813 62.754 62.100 -0.266 0.000 1.103 898 T CB -0.026 68.640 68.868 -0.336 0.000 0.870 898 T HN 0.248 nan 8.240 nan 0.000 0.528 899 M N 0.863 120.294 119.600 -0.282 0.000 2.171 899 M HA 0.189 4.667 4.480 -0.003 0.000 0.260 899 M C 2.896 179.097 176.300 -0.165 0.000 1.087 899 M CA 1.256 56.413 55.300 -0.237 0.000 1.154 899 M CB -1.390 31.127 32.600 -0.139 0.000 1.331 899 M HN 0.289 nan 8.290 nan 0.000 0.431 900 A N 0.355 123.114 122.820 -0.102 0.000 1.883 900 A HA -0.200 4.118 4.320 -0.003 0.000 0.217 900 A C 2.260 179.813 177.584 -0.051 0.000 1.186 900 A CA 1.637 53.640 52.037 -0.057 0.000 0.624 900 A CB -1.227 17.761 19.000 -0.020 0.000 0.822 900 A HN 0.501 nan 8.150 nan 0.000 0.444 901 L N -0.510 120.686 121.223 -0.045 0.000 2.187 901 L HA -0.159 4.179 4.340 -0.003 0.000 0.213 901 L C 2.451 179.310 176.870 -0.018 0.000 1.100 901 L CA 1.770 56.613 54.840 0.004 0.000 0.765 901 L CB -0.077 42.005 42.059 0.037 0.000 0.904 901 L HN 0.343 nan 8.230 nan 0.000 0.437 902 S N -1.576 114.064 115.700 -0.099 0.000 2.406 902 S HA -0.119 4.349 4.470 -0.003 0.000 0.224 902 S C 1.744 176.268 174.600 -0.127 0.000 1.030 902 S CA 1.038 59.116 58.200 -0.203 0.000 0.958 902 S CB 0.155 63.073 63.200 -0.470 0.000 0.811 902 S HN 0.423 nan 8.310 nan 0.000 0.489 903 V N 1.990 121.844 119.914 -0.100 0.000 2.427 903 V HA -0.071 4.047 4.120 -0.003 0.000 0.248 903 V C 2.012 178.106 176.094 0.000 0.000 1.051 903 V CA 1.395 63.673 62.300 -0.036 0.000 1.048 903 V CB -0.324 31.467 31.823 -0.053 0.000 0.666 903 V HN 0.435 nan 8.190 nan 0.000 0.456 904 L N -0.100 121.117 121.223 -0.010 0.000 1.976 904 L HA -0.076 4.263 4.340 -0.003 0.000 0.209 904 L C 2.460 179.341 176.870 0.020 0.000 1.071 904 L CA 2.498 57.348 54.840 0.016 0.000 0.746 904 L CB -0.782 41.289 42.059 0.020 0.000 0.890 904 L HN 0.173 nan 8.230 nan 0.000 0.432 905 V N 0.093 119.994 119.914 -0.021 0.000 2.252 905 V HA -0.372 3.746 4.120 -0.003 0.000 0.249 905 V C 2.715 178.814 176.094 0.008 0.000 1.056 905 V CA 2.490 64.767 62.300 -0.039 0.000 1.022 905 V CB -1.317 30.364 31.823 -0.238 0.000 0.641 905 V HN 0.804 nan 8.190 nan 0.000 0.445 906 T N -1.685 112.885 114.554 0.027 0.000 2.867 906 T HA -0.059 4.289 4.350 -0.003 0.000 0.268 906 T C 1.782 176.534 174.700 0.088 0.000 1.057 906 T CA 1.374 63.524 62.100 0.083 0.000 1.136 906 T CB -0.396 68.558 68.868 0.144 0.000 0.874 906 T HN 0.406 nan 8.240 nan 0.000 0.466 907 I N 0.849 121.473 120.570 0.089 0.000 2.676 907 I HA -0.026 4.142 4.170 -0.003 0.000 0.259 907 I C 2.475 178.664 176.117 0.121 0.000 1.194 907 I CA 0.974 62.341 61.300 0.111 0.000 1.473 907 I CB -0.305 37.775 38.000 0.134 0.000 1.096 907 I HN 0.193 nan 8.210 nan 0.000 0.443 908 E N 0.266 120.536 120.200 0.118 0.000 2.371 908 E HA -0.023 4.325 4.350 -0.003 0.000 0.194 908 E C 2.090 178.814 176.600 0.208 0.000 1.012 908 E CA 0.637 57.144 56.400 0.179 0.000 0.860 908 E CB 0.095 29.874 29.700 0.131 0.000 0.811 908 E HN 0.353 nan 8.360 nan 0.000 0.502 909 M N -0.655 119.018 119.600 0.123 0.000 2.334 909 M HA -0.032 4.446 4.480 -0.003 0.000 0.266 909 M C 2.278 178.607 176.300 0.048 0.000 1.082 909 M CA 0.550 55.898 55.300 0.079 0.000 1.141 909 M CB -1.090 31.550 32.600 0.066 0.000 1.380 909 M HN 0.106 nan 8.290 nan 0.000 0.440 910 C N 0.739 120.078 119.300 0.066 0.000 2.457 910 C HA -0.060 4.398 4.460 -0.003 0.000 0.278 910 C C 2.479 177.494 174.990 0.042 0.000 1.309 910 C CA 0.863 59.908 59.018 0.046 0.000 1.735 910 C CB -1.245 26.527 27.740 0.055 0.000 1.992 910 C HN 0.584 nan 8.230 nan 0.000 0.493 911 N N 0.718 119.472 118.700 0.090 0.000 2.494 911 N HA 0.040 4.778 4.740 -0.003 0.000 0.182 911 N C 1.468 176.997 175.510 0.031 0.000 1.076 911 N CA 0.942 54.066 53.050 0.122 0.000 0.908 911 N CB -0.065 38.554 38.487 0.220 0.000 0.967 911 N HN 0.480 nan 8.380 nan 0.000 0.449 912 A N -0.431 122.324 122.820 -0.108 0.000 2.072 912 A HA 0.122 4.440 4.320 -0.003 0.000 0.216 912 A C 1.940 179.375 177.584 -0.248 0.000 1.156 912 A CA 0.469 52.228 52.037 -0.464 0.000 0.701 912 A CB -0.211 18.521 19.000 -0.445 0.000 0.816 912 A HN 0.288 nan 8.150 nan 0.000 0.458 913 L N -1.016 120.139 121.223 -0.113 0.000 2.209 913 L HA -0.023 4.316 4.340 -0.003 0.000 0.207 913 L C 1.965 178.798 176.870 -0.062 0.000 1.094 913 L CA 0.930 55.725 54.840 -0.076 0.000 0.790 913 L CB -0.473 41.561 42.059 -0.040 0.000 0.932 913 L HN 0.399 nan 8.230 nan 0.000 0.447 914 N N -0.621 118.057 118.700 -0.036 0.000 2.453 914 N HA -0.095 4.643 4.740 -0.003 0.000 0.183 914 N C 1.301 176.811 175.510 0.001 0.000 1.041 914 N CA 0.551 53.597 53.050 -0.006 0.000 0.900 914 N CB 0.170 38.673 38.487 0.026 0.000 0.961 914 N HN 0.128 nan 8.380 nan 0.000 0.443 915 S N 0.208 115.887 115.700 -0.034 0.000 2.605 915 S HA 0.195 4.664 4.470 -0.003 0.000 0.217 915 S C 1.447 176.017 174.600 -0.051 0.000 0.958 915 S CA -0.108 58.077 58.200 -0.026 0.000 0.919 915 S CB 0.204 63.355 63.200 -0.082 0.000 0.780 915 S HN 0.293 nan 8.310 nan 0.000 0.507 916 L N 0.728 121.917 121.223 -0.058 0.000 2.291 916 L HA 0.128 4.466 4.340 -0.003 0.000 0.214 916 L C 0.954 177.800 176.870 -0.040 0.000 1.120 916 L CA 0.568 55.376 54.840 -0.055 0.000 0.799 916 L CB 0.127 42.145 42.059 -0.069 0.000 0.925 916 L HN 0.232 nan 8.230 nan 0.000 0.446 917 S N -1.536 114.147 115.700 -0.028 0.000 2.562 917 S HA 0.103 4.571 4.470 -0.003 0.000 0.274 917 S C 0.432 175.036 174.600 0.006 0.000 1.160 917 S CA -0.743 57.447 58.200 -0.017 0.000 0.933 917 S CB 1.660 64.843 63.200 -0.028 0.000 1.100 917 S HN 0.237 nan 8.310 nan 0.000 0.468 918 E N 2.812 123.022 120.200 0.017 0.000 2.058 918 E HA -0.142 4.206 4.350 -0.003 0.000 0.194 918 E C 0.556 177.184 176.600 0.046 0.000 0.997 918 E CA 1.553 57.979 56.400 0.044 0.000 0.801 918 E CB 0.023 29.754 29.700 0.050 0.000 0.746 918 E HN 0.662 nan 8.360 nan 0.000 0.450 919 N N -0.434 118.282 118.700 0.027 0.000 2.159 919 N HA 0.033 4.772 4.740 -0.003 0.000 0.217 919 N C -0.607 174.901 175.510 -0.003 0.000 1.223 919 N CA 0.039 53.102 53.050 0.022 0.000 0.896 919 N CB 0.886 39.377 38.487 0.008 0.000 1.064 919 N HN 0.024 nan 8.380 nan 0.000 0.518 920 Q N 0.896 120.689 119.800 -0.012 0.000 2.267 920 Q HA 0.201 4.540 4.340 -0.003 0.000 0.255 920 Q C 0.169 176.157 176.000 -0.021 0.000 0.923 920 Q CA -0.029 55.758 55.803 -0.026 0.000 0.925 920 Q CB 1.456 30.171 28.738 -0.039 0.000 1.195 920 Q HN 0.034 nan 8.270 nan 0.000 0.417 921 S N 1.945 117.637 115.700 -0.013 0.000 2.576 921 S HA 0.108 4.576 4.470 -0.003 0.000 0.272 921 S C 1.403 175.977 174.600 -0.044 0.000 1.352 921 S CA -0.324 57.874 58.200 -0.003 0.000 1.021 921 S CB 0.399 63.616 63.200 0.028 0.000 0.887 921 S HN 0.673 nan 8.310 nan 0.000 0.542 922 L N 3.299 124.492 121.223 -0.051 0.000 2.141 922 L HA -0.087 4.251 4.340 -0.003 0.000 0.209 922 L C 2.464 179.255 176.870 -0.131 0.000 1.094 922 L CA 1.153 55.930 54.840 -0.105 0.000 0.763 922 L CB -0.319 41.690 42.059 -0.084 0.000 0.908 922 L HN 0.752 nan 8.230 nan 0.000 0.437 923 M N -1.107 118.456 119.600 -0.063 0.000 2.346 923 M HA -0.215 4.263 4.480 -0.003 0.000 0.263 923 M C 2.271 178.538 176.300 -0.056 0.000 1.064 923 M CA 1.591 56.868 55.300 -0.039 0.000 1.083 923 M CB -0.204 32.401 32.600 0.007 0.000 1.399 923 M HN 0.162 nan 8.290 nan 0.000 0.435 924 R N -0.057 120.401 120.500 -0.070 0.000 2.072 924 R HA 0.189 4.527 4.340 -0.003 0.000 0.214 924 R C 0.760 176.984 176.300 -0.128 0.000 1.168 924 R CA 0.382 56.440 56.100 -0.069 0.000 1.020 924 R CB 0.332 30.605 30.300 -0.045 0.000 0.914 924 R HN 0.201 nan 8.270 nan 0.000 0.449 925 M N 4.261 123.771 119.600 -0.150 0.000 3.028 925 M HA 0.301 4.779 4.480 -0.003 0.000 0.296 925 M C -2.282 173.821 176.300 -0.328 0.000 1.314 925 M CA -2.335 52.846 55.300 -0.198 0.000 1.383 925 M CB 1.445 33.967 32.600 -0.130 0.000 1.128 925 M HN 0.027 nan 8.290 nan 0.000 0.544 926 P HA 0.017 nan 4.420 nan 0.000 0.267 926 P C -2.378 174.483 177.300 -0.731 0.000 1.201 926 P CA -0.580 61.947 63.100 -0.954 0.000 0.775 926 P CB -0.107 30.252 31.700 -2.235 0.000 0.854 927 P HA -0.165 nan 4.420 nan 0.000 0.216 927 P C 1.364 178.617 177.300 -0.080 0.000 1.150 927 P CA 1.772 64.766 63.100 -0.178 0.000 0.837 927 P CB -0.622 31.056 31.700 -0.036 0.000 0.786 928 W N 0.096 121.393 121.300 -0.005 0.000 2.480 928 W HA -0.032 4.626 4.660 -0.003 0.000 0.257 928 W C 1.491 178.008 176.519 -0.004 0.000 1.235 928 W CA 0.017 57.355 57.345 -0.012 0.000 1.218 928 W CB -2.126 27.322 29.460 -0.019 0.000 1.131 928 W HN -0.279 nan 8.180 nan 0.000 0.606 929 V N 1.687 121.525 119.914 -0.127 0.000 2.324 929 V HA -0.302 3.817 4.120 -0.003 0.000 0.250 929 V C 1.245 177.369 176.094 0.051 0.000 1.060 929 V CA 2.279 64.547 62.300 -0.053 0.000 1.042 929 V CB -0.897 30.843 31.823 -0.139 0.000 0.650 929 V HN 0.377 nan 8.190 nan 0.000 0.450 930 N N -0.213 118.523 118.700 0.059 0.000 2.558 930 N HA 0.269 5.007 4.740 -0.003 0.000 0.242 930 N C 0.585 176.169 175.510 0.124 0.000 0.979 930 N CA -0.106 53.024 53.050 0.133 0.000 0.931 930 N CB 1.235 39.808 38.487 0.143 0.000 1.122 930 N HN 0.239 nan 8.380 nan 0.000 0.508 931 I N 1.811 122.418 120.570 0.062 0.000 2.179 931 I HA -0.233 3.935 4.170 -0.003 0.000 0.242 931 I C 1.259 177.359 176.117 -0.027 0.000 1.088 931 I CA 1.220 62.487 61.300 -0.055 0.000 1.357 931 I CB -0.180 37.673 38.000 -0.245 0.000 1.051 931 I HN 0.521 nan 8.210 nan 0.000 0.409 932 W N 0.589 121.947 121.300 0.097 0.000 2.305 932 W HA -0.285 4.373 4.660 -0.003 0.000 0.308 932 W C 2.420 178.985 176.519 0.076 0.000 1.226 932 W CA 0.609 58.028 57.345 0.123 0.000 1.253 932 W CB -0.916 28.706 29.460 0.270 0.000 1.146 932 W HN 0.151 nan 8.180 nan 0.000 0.507 933 L N 0.461 121.844 121.223 0.267 0.000 1.956 933 L HA -0.228 4.111 4.340 -0.003 0.000 0.216 933 L C 2.244 179.163 176.870 0.082 0.000 1.073 933 L CA 1.961 56.876 54.840 0.125 0.000 0.762 933 L CB -1.381 40.718 42.059 0.067 0.000 0.889 933 L HN 0.045 nan 8.230 nan 0.000 0.433 934 L N -0.763 120.501 121.223 0.069 0.000 2.013 934 L HA -0.197 4.141 4.340 -0.003 0.000 0.212 934 L C 2.552 179.447 176.870 0.041 0.000 1.073 934 L CA 1.461 56.330 54.840 0.048 0.000 0.753 934 L CB -1.634 40.456 42.059 0.051 0.000 0.890 934 L HN 0.516 nan 8.230 nan 0.000 0.432 935 G N 0.183 109.008 108.800 0.041 0.000 2.491 935 G HA2 -0.340 3.618 3.960 -0.003 0.000 0.218 935 G HA3 -0.340 3.618 3.960 -0.003 0.000 0.218 935 G C 1.777 176.715 174.900 0.063 0.000 1.180 935 G CA 1.289 46.410 45.100 0.035 0.000 0.774 935 G HN 0.528 nan 8.290 nan 0.000 0.562 936 S N 0.598 116.355 115.700 0.095 0.000 2.399 936 S HA -0.009 4.459 4.470 -0.003 0.000 0.231 936 S C 2.293 176.928 174.600 0.059 0.000 1.022 936 S CA 1.071 59.320 58.200 0.081 0.000 0.983 936 S CB -0.361 62.887 63.200 0.080 0.000 0.803 936 S HN 0.354 nan 8.310 nan 0.000 0.480 937 I N 0.839 121.440 120.570 0.052 0.000 2.567 937 I HA -0.160 4.008 4.170 -0.003 0.000 0.257 937 I C 2.209 178.358 176.117 0.053 0.000 1.184 937 I CA 0.625 61.954 61.300 0.049 0.000 1.451 937 I CB -0.427 37.596 38.000 0.037 0.000 1.089 937 I HN 0.449 nan 8.210 nan 0.000 0.441 938 C N -0.332 118.993 119.300 0.043 0.000 2.522 938 C HA -0.040 4.419 4.460 -0.003 0.000 0.280 938 C C 2.615 177.636 174.990 0.051 0.000 1.303 938 C CA -0.097 58.940 59.018 0.032 0.000 1.709 938 C CB -0.656 27.088 27.740 0.007 0.000 2.071 938 C HN 0.458 nan 8.230 nan 0.000 0.492 939 L N 1.370 122.626 121.223 0.055 0.000 2.043 939 L HA -0.142 4.197 4.340 -0.003 0.000 0.212 939 L C 2.484 179.411 176.870 0.096 0.000 1.075 939 L CA 2.004 56.884 54.840 0.066 0.000 0.752 939 L CB -1.042 41.053 42.059 0.061 0.000 0.891 939 L HN 0.257 nan 8.230 nan 0.000 0.432 940 S N -1.101 114.655 115.700 0.095 0.000 2.348 940 S HA -0.179 4.289 4.470 -0.003 0.000 0.221 940 S C 1.920 176.646 174.600 0.210 0.000 1.033 940 S CA 1.679 59.954 58.200 0.125 0.000 1.010 940 S CB -0.249 63.007 63.200 0.094 0.000 0.891 940 S HN 0.379 nan 8.310 nan 0.000 0.442 941 M N 1.929 121.647 119.600 0.195 0.000 2.065 941 M HA -0.094 4.384 4.480 -0.003 0.000 0.259 941 M C 2.488 179.043 176.300 0.425 0.000 1.069 941 M CA 1.840 57.319 55.300 0.298 0.000 1.110 941 M CB -2.042 30.679 32.600 0.201 0.000 1.328 941 M HN 0.469 nan 8.290 nan 0.000 0.405 942 S N 0.125 115.970 115.700 0.242 0.000 2.383 942 S HA -0.134 4.335 4.470 -0.003 0.000 0.229 942 S C 2.121 176.885 174.600 0.274 0.000 1.030 942 S CA 1.164 59.483 58.200 0.199 0.000 1.002 942 S CB -1.014 62.225 63.200 0.064 0.000 0.829 942 S HN 0.480 nan 8.310 nan 0.000 0.467 943 L N 0.716 122.108 121.223 0.281 0.000 2.056 943 L HA -0.113 4.225 4.340 -0.003 0.000 0.207 943 L C 2.875 179.971 176.870 0.377 0.000 1.078 943 L CA 1.902 56.946 54.840 0.340 0.000 0.749 943 L CB -0.674 41.600 42.059 0.359 0.000 0.901 943 L HN 0.420 nan 8.230 nan 0.000 0.433 944 H N -0.298 118.955 119.070 0.306 0.000 2.319 944 H HA -0.229 4.326 4.556 -0.003 0.000 0.299 944 H C 2.009 177.383 175.328 0.077 0.000 1.092 944 H CA 1.951 58.112 56.048 0.189 0.000 1.302 944 H CB -0.273 29.608 29.762 0.200 0.000 1.373 944 H HN 0.170 nan 8.280 nan 0.000 0.497 945 F N -0.408 119.598 119.950 0.094 0.000 2.134 945 F HA -0.144 4.381 4.527 -0.003 0.000 0.299 945 F C 2.452 178.270 175.800 0.029 0.000 1.097 945 F CA 1.092 59.122 58.000 0.049 0.000 1.264 945 F CB -0.521 38.472 39.000 -0.011 0.000 1.001 945 F HN 0.252 nan 8.300 nan 0.000 0.479 946 L N 1.280 122.605 121.223 0.170 0.000 1.990 946 L HA -0.224 4.114 4.340 -0.003 0.000 0.213 946 L C 2.190 179.036 176.870 -0.039 0.000 1.072 946 L CA 2.075 56.963 54.840 0.080 0.000 0.755 946 L CB -0.949 41.163 42.059 0.088 0.000 0.889 946 L HN 0.331 nan 8.230 nan 0.000 0.432 947 I N -3.248 117.175 120.570 -0.246 0.000 3.241 947 I HA -0.141 4.027 4.170 -0.003 0.000 0.280 947 I C 1.741 177.626 176.117 -0.388 0.000 1.320 947 I CA 0.965 61.963 61.300 -0.502 0.000 1.413 947 I CB -0.296 37.002 38.000 -1.169 0.000 1.060 947 I HN 0.304 nan 8.210 nan 0.000 0.500 948 L N -0.822 120.267 121.223 -0.223 0.000 2.316 948 L HA 0.077 4.415 4.340 -0.003 0.000 0.207 948 L C 1.952 178.745 176.870 -0.130 0.000 1.070 948 L CA 0.837 55.551 54.840 -0.211 0.000 0.820 948 L CB -0.172 41.760 42.059 -0.212 0.000 0.992 948 L HN 0.245 nan 8.230 nan 0.000 0.466 949 Y N -1.154 119.097 120.300 -0.081 0.000 2.333 949 Y HA 0.098 4.646 4.550 -0.003 0.000 0.287 949 Y C 1.267 177.153 175.900 -0.024 0.000 1.149 949 Y CA -0.551 57.536 58.100 -0.021 0.000 1.193 949 Y CB -0.102 38.384 38.460 0.044 0.000 1.175 949 Y HN -0.406 nan 8.280 nan 0.000 0.518 950 V N 3.745 123.757 119.914 0.164 0.000 2.756 950 V HA -0.231 3.887 4.120 -0.003 0.000 0.274 950 V C 0.743 176.861 176.094 0.040 0.000 0.959 950 V CA 0.776 63.124 62.300 0.081 0.000 1.172 950 V CB -0.954 30.902 31.823 0.056 0.000 0.878 950 V HN 0.465 nan 8.190 nan 0.000 0.459 951 D N 6.817 127.239 120.400 0.036 0.000 2.968 951 D HA -0.243 4.395 4.640 -0.003 0.000 0.215 951 D C 0.028 176.333 176.300 0.007 0.000 1.086 951 D CA 2.821 56.829 54.000 0.013 0.000 0.891 951 D CB -0.692 40.117 40.800 0.015 0.000 1.019 951 D HN 0.546 nan 8.370 nan 0.000 0.494 952 P HA -0.183 nan 4.420 nan 0.000 0.216 952 P C 1.929 179.246 177.300 0.028 0.000 1.154 952 P CA 1.473 64.584 63.100 0.017 0.000 0.865 952 P CB -0.226 31.487 31.700 0.022 0.000 0.789 953 L N -0.356 120.888 121.223 0.034 0.000 1.976 953 L HA -0.099 4.239 4.340 -0.003 0.000 0.209 953 L C 0.007 176.942 176.870 0.108 0.000 1.071 953 L CA 2.090 56.975 54.840 0.075 0.000 0.746 953 L CB -2.787 39.250 42.059 -0.036 0.000 0.890 953 L HN 0.004 nan 8.230 nan 0.000 0.432 954 P HA -0.278 nan 4.420 nan 0.000 0.218 954 P C 1.861 179.168 177.300 0.012 0.000 1.154 954 P CA 1.839 64.916 63.100 -0.038 0.000 0.872 954 P CB -0.103 31.537 31.700 -0.099 0.000 0.790 955 M N -0.565 119.039 119.600 0.007 0.000 2.108 955 M HA -0.158 4.320 4.480 -0.003 0.000 0.261 955 M C 1.953 178.249 176.300 -0.007 0.000 1.066 955 M CA 2.020 57.316 55.300 -0.007 0.000 1.107 955 M CB -0.548 32.044 32.600 -0.013 0.000 1.356 955 M HN -0.098 nan 8.290 nan 0.000 0.406 956 I N -2.734 117.834 120.570 -0.005 0.000 2.617 956 I HA -0.123 4.045 4.170 -0.003 0.000 0.256 956 I C 1.152 177.137 176.117 -0.219 0.000 1.167 956 I CA 1.160 62.390 61.300 -0.116 0.000 1.469 956 I CB -0.617 37.268 38.000 -0.192 0.000 1.098 956 I HN 0.097 nan 8.210 nan 0.000 0.436 957 F N 2.007 121.899 119.950 -0.097 0.000 2.789 957 F HA 0.242 4.768 4.527 -0.003 0.000 0.300 957 F C 0.707 176.449 175.800 -0.097 0.000 1.132 957 F CA -0.021 57.915 58.000 -0.107 0.000 1.404 957 F CB 0.092 38.984 39.000 -0.179 0.000 1.114 957 F HN -0.036 nan 8.300 nan 0.000 0.584 958 K N 0.885 121.313 120.400 0.046 0.000 3.161 958 K HA -0.169 4.150 4.320 -0.003 0.000 0.270 958 K C -0.979 175.589 176.600 -0.053 0.000 1.115 958 K CA 0.430 56.708 56.287 -0.015 0.000 0.789 958 K CB -2.387 30.103 32.500 -0.016 0.000 1.256 958 K HN 0.314 nan 8.250 nan 0.000 0.492 959 L N 0.433 121.619 121.223 -0.062 0.000 2.356 959 L HA 0.435 4.773 4.340 -0.003 0.000 0.277 959 L C 0.283 177.034 176.870 -0.199 0.000 0.996 959 L CA -0.675 54.075 54.840 -0.150 0.000 0.822 959 L CB 1.990 43.944 42.059 -0.175 0.000 1.256 959 L HN -0.076 nan 8.230 nan 0.000 0.413 960 K N 2.320 122.568 120.400 -0.253 0.000 2.323 960 K HA 0.643 4.961 4.320 -0.003 0.000 0.259 960 K C -0.332 176.076 176.600 -0.320 0.000 0.947 960 K CA -0.692 55.435 56.287 -0.267 0.000 0.819 960 K CB 2.340 34.696 32.500 -0.239 0.000 1.109 960 K HN 0.708 nan 8.250 nan 0.000 0.429 961 A N 3.278 125.868 122.820 -0.384 0.000 2.587 961 A HA 0.110 4.428 4.320 -0.003 0.000 0.235 961 A C -0.080 177.350 177.584 -0.257 0.000 1.044 961 A CA 0.095 51.873 52.037 -0.432 0.000 0.754 961 A CB -0.481 18.017 19.000 -0.836 0.000 0.968 961 A HN 0.594 nan 8.150 nan 0.000 0.509 962 L N 0.794 121.900 121.223 -0.195 0.000 2.334 962 L HA 0.747 5.085 4.340 -0.003 0.000 0.273 962 L C 0.036 176.961 176.870 0.091 0.000 1.013 962 L CA -1.176 53.582 54.840 -0.137 0.000 0.816 962 L CB 0.987 42.858 42.059 -0.314 0.000 1.278 962 L HN 0.729 nan 8.230 nan 0.000 0.431 963 D N 1.665 122.142 120.400 0.130 0.000 2.372 963 D HA 0.063 4.701 4.640 -0.003 0.000 0.243 963 D C 0.954 177.455 176.300 0.336 0.000 1.297 963 D CA -0.150 53.986 54.000 0.226 0.000 0.958 963 D CB 0.472 41.367 40.800 0.159 0.000 1.114 963 D HN 0.621 nan 8.370 nan 0.000 0.496 964 L N -1.164 120.234 121.223 0.292 0.000 2.353 964 L HA -0.078 4.260 4.340 -0.003 0.000 0.220 964 L C 2.169 179.193 176.870 0.258 0.000 1.133 964 L CA 1.491 56.502 54.840 0.284 0.000 0.798 964 L CB -1.154 41.015 42.059 0.184 0.000 0.922 964 L HN 0.652 nan 8.230 nan 0.000 0.445 965 T N -4.357 110.329 114.554 0.221 0.000 3.010 965 T HA -0.037 4.311 4.350 -0.003 0.000 0.252 965 T C 1.792 176.621 174.700 0.215 0.000 1.047 965 T CA 0.134 62.353 62.100 0.199 0.000 1.140 965 T CB -0.044 68.929 68.868 0.175 0.000 0.885 965 T HN 0.272 nan 8.240 nan 0.000 0.464 966 Q N 0.050 119.983 119.800 0.222 0.000 2.079 966 Q HA -0.016 4.322 4.340 -0.003 0.000 0.200 966 Q C 1.922 177.963 176.000 0.068 0.000 0.974 966 Q CA 1.440 57.352 55.803 0.181 0.000 0.840 966 Q CB -0.310 28.508 28.738 0.133 0.000 0.898 966 Q HN 0.628 nan 8.270 nan 0.000 0.430 967 W N 1.034 122.383 121.300 0.082 0.000 2.335 967 W HA -0.203 4.455 4.660 -0.003 0.000 0.311 967 W C 1.893 178.430 176.519 0.030 0.000 1.213 967 W CA 0.795 58.179 57.345 0.065 0.000 1.274 967 W CB -0.161 29.367 29.460 0.114 0.000 1.148 967 W HN 0.121 nan 8.180 nan 0.000 0.498 968 L N -0.388 121.029 121.223 0.323 0.000 2.129 968 L HA -0.295 4.043 4.340 -0.003 0.000 0.212 968 L C 2.391 179.303 176.870 0.070 0.000 1.087 968 L CA 1.368 56.314 54.840 0.177 0.000 0.757 968 L CB -0.671 41.467 42.059 0.132 0.000 0.896 968 L HN 0.144 nan 8.230 nan 0.000 0.434 969 M N -0.542 119.046 119.600 -0.019 0.000 2.132 969 M HA -0.131 4.347 4.480 -0.003 0.000 0.263 969 M C 2.044 178.232 176.300 -0.187 0.000 1.065 969 M CA 1.711 56.869 55.300 -0.236 0.000 1.122 969 M CB -0.233 32.015 32.600 -0.587 0.000 1.365 969 M HN -0.045 nan 8.290 nan 0.000 0.411 970 V N 0.422 120.286 119.914 -0.082 0.000 2.282 970 V HA -0.313 3.805 4.120 -0.003 0.000 0.249 970 V C 2.435 178.560 176.094 0.052 0.000 1.057 970 V CA 2.116 64.398 62.300 -0.031 0.000 1.032 970 V CB -1.078 30.771 31.823 0.043 0.000 0.645 970 V HN 0.549 nan 8.190 nan 0.000 0.447 971 L N -0.460 120.835 121.223 0.119 0.000 2.017 971 L HA -0.189 4.149 4.340 -0.003 0.000 0.208 971 L C 2.574 179.473 176.870 0.049 0.000 1.073 971 L CA 1.753 56.654 54.840 0.102 0.000 0.745 971 L CB -0.584 41.542 42.059 0.113 0.000 0.894 971 L HN 0.268 nan 8.230 nan 0.000 0.432 972 K N -0.183 120.221 120.400 0.008 0.000 2.360 972 K HA -0.107 4.212 4.320 -0.003 0.000 0.201 972 K C 1.842 178.436 176.600 -0.010 0.000 1.046 972 K CA 1.041 57.320 56.287 -0.013 0.000 0.945 972 K CB -0.048 32.418 32.500 -0.057 0.000 0.750 972 K HN 0.379 nan 8.250 nan 0.000 0.464 973 I N 0.115 120.671 120.570 -0.023 0.000 2.512 973 I HA -0.188 3.980 4.170 -0.003 0.000 0.247 973 I C 2.480 178.667 176.117 0.116 0.000 1.094 973 I CA 0.628 61.927 61.300 -0.001 0.000 1.427 973 I CB -0.390 37.557 38.000 -0.088 0.000 1.149 973 I HN 0.119 nan 8.210 nan 0.000 0.438 974 S N 2.376 118.137 115.700 0.101 0.000 2.361 974 S HA -0.166 4.302 4.470 -0.003 0.000 0.214 974 S C 2.075 176.756 174.600 0.136 0.000 1.034 974 S CA 0.907 59.196 58.200 0.150 0.000 1.025 974 S CB -1.259 62.009 63.200 0.113 0.000 0.996 974 S HN 0.316 nan 8.310 nan 0.000 0.422 975 L N 2.066 123.342 121.223 0.088 0.000 2.149 975 L HA -0.185 4.153 4.340 -0.003 0.000 0.223 975 L C -0.575 176.309 176.870 0.024 0.000 1.089 975 L CA 1.948 56.820 54.840 0.054 0.000 0.800 975 L CB -2.210 39.877 42.059 0.048 0.000 0.897 975 L HN 0.308 nan 8.230 nan 0.000 0.443 976 P HA -0.159 nan 4.420 nan 0.000 0.219 976 P C 1.805 178.998 177.300 -0.177 0.000 1.144 976 P CA 1.016 64.099 63.100 -0.028 0.000 0.806 976 P CB 0.003 31.739 31.700 0.060 0.000 0.771 977 V N -0.301 119.497 119.914 -0.192 0.000 2.255 977 V HA -0.270 3.848 4.120 -0.003 0.000 0.247 977 V C 2.294 178.299 176.094 -0.148 0.000 1.051 977 V CA 1.775 63.907 62.300 -0.280 0.000 1.018 977 V CB -1.053 30.712 31.823 -0.096 0.000 0.641 977 V HN 0.094 nan 8.190 nan 0.000 0.445 978 I N 0.679 121.210 120.570 -0.065 0.000 2.185 978 I HA -0.261 3.907 4.170 -0.003 0.000 0.246 978 I C 2.549 178.641 176.117 -0.040 0.000 1.088 978 I CA 1.923 63.202 61.300 -0.034 0.000 1.347 978 I CB -0.976 37.018 38.000 -0.010 0.000 1.041 978 I HN 0.441 nan 8.210 nan 0.000 0.415 979 G N 0.888 109.657 108.800 -0.052 0.000 2.402 979 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.216 979 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.216 979 G C 1.644 176.514 174.900 -0.051 0.000 1.162 979 G CA 0.589 45.664 45.100 -0.041 0.000 0.777 979 G HN 0.303 nan 8.290 nan 0.000 0.539 980 L N 0.774 121.930 121.223 -0.111 0.000 2.079 980 L HA -0.031 4.307 4.340 -0.003 0.000 0.210 980 L C 1.967 178.808 176.870 -0.049 0.000 1.081 980 L CA 2.536 57.306 54.840 -0.117 0.000 0.752 980 L CB -0.549 41.344 42.059 -0.277 0.000 0.896 980 L HN 0.158 nan 8.230 nan 0.000 0.433 981 D N -1.131 119.240 120.400 -0.048 0.000 2.137 981 D HA -0.125 4.513 4.640 -0.003 0.000 0.202 981 D C 2.048 178.380 176.300 0.052 0.000 0.970 981 D CA 0.608 54.607 54.000 -0.002 0.000 0.837 981 D CB 0.114 40.908 40.800 -0.011 0.000 0.981 981 D HN 0.277 nan 8.370 nan 0.000 0.475 982 E N 0.288 120.512 120.200 0.040 0.000 2.097 982 E HA -0.169 4.179 4.350 -0.003 0.000 0.196 982 E C 2.338 179.016 176.600 0.130 0.000 1.000 982 E CA 0.607 57.049 56.400 0.071 0.000 0.804 982 E CB -0.301 29.422 29.700 0.040 0.000 0.740 982 E HN 0.464 nan 8.360 nan 0.000 0.454 983 I N 0.523 121.155 120.570 0.103 0.000 2.142 983 I HA -0.278 3.890 4.170 -0.003 0.000 0.240 983 I C 2.509 178.783 176.117 0.262 0.000 1.078 983 I CA 0.935 62.320 61.300 0.142 0.000 1.343 983 I CB -0.346 37.706 38.000 0.087 0.000 1.046 983 I HN 0.046 nan 8.210 nan 0.000 0.405 984 L N 0.393 121.770 121.223 0.256 0.000 2.131 984 L HA -0.215 4.123 4.340 -0.003 0.000 0.210 984 L C 2.575 179.717 176.870 0.453 0.000 1.092 984 L CA 1.430 56.524 54.840 0.423 0.000 0.759 984 L CB -0.464 41.762 42.059 0.279 0.000 0.903 984 L HN 0.232 nan 8.230 nan 0.000 0.435 985 K N -0.580 119.987 120.400 0.279 0.000 2.007 985 K HA -0.176 4.143 4.320 -0.003 0.000 0.206 985 K C 2.055 178.740 176.600 0.142 0.000 1.047 985 K CA 1.325 57.734 56.287 0.202 0.000 0.937 985 K CB -0.292 32.283 32.500 0.125 0.000 0.718 985 K HN 0.046 nan 8.250 nan 0.000 0.438 986 F N 2.157 122.127 119.950 0.033 0.000 2.147 986 F HA -0.308 4.218 4.527 -0.003 0.000 0.301 986 F C 1.832 177.586 175.800 -0.077 0.000 1.084 986 F CA 1.219 59.205 58.000 -0.023 0.000 1.268 986 F CB -0.000 39.007 39.000 0.012 0.000 1.009 986 F HN -0.046 nan 8.300 nan 0.000 0.486 987 I N 0.576 121.264 120.570 0.197 0.000 2.113 987 I HA -0.291 3.877 4.170 -0.003 0.000 0.238 987 I C 2.831 178.742 176.117 -0.344 0.000 1.070 987 I CA 1.506 62.822 61.300 0.027 0.000 1.332 987 I CB -2.141 35.853 38.000 -0.010 0.000 1.044 987 I HN 0.238 nan 8.210 nan 0.000 0.402 988 A N 0.865 123.432 122.820 -0.421 0.000 1.859 988 A HA -0.272 4.046 4.320 -0.003 0.000 0.217 988 A C 2.514 179.887 177.584 -0.353 0.000 1.198 988 A CA 2.076 53.822 52.037 -0.485 0.000 0.629 988 A CB -0.868 18.006 19.000 -0.209 0.000 0.830 988 A HN 0.324 nan 8.150 nan 0.000 0.446 989 R N -0.640 119.673 120.500 -0.311 0.000 2.113 989 R HA -0.210 4.128 4.340 -0.003 0.000 0.244 989 R C 1.336 177.328 176.300 -0.512 0.000 1.142 989 R CA 2.142 58.022 56.100 -0.366 0.000 0.953 989 R CB -0.363 29.706 30.300 -0.385 0.000 0.860 989 R HN 0.770 nan 8.270 nan 0.000 0.438 990 N N -2.371 115.862 118.700 -0.778 0.000 2.205 990 N HA 0.053 4.792 4.740 -0.003 0.000 0.201 990 N C 0.066 174.920 175.510 -1.094 0.000 1.128 990 N CA 0.153 52.602 53.050 -1.001 0.000 0.867 990 N CB 0.675 38.305 38.487 -1.428 0.000 0.996 990 N HN 0.148 nan 8.380 nan 0.000 0.503 991 Y N 0.075 120.226 120.300 -0.248 0.000 3.116 991 Y HA 0.320 4.868 4.550 -0.003 0.000 0.220 991 Y C 0.319 176.097 175.900 -0.203 0.000 0.965 991 Y CA -0.941 57.047 58.100 -0.188 0.000 1.476 991 Y CB -0.643 37.719 38.460 -0.163 0.000 1.493 991 Y HN -0.095 nan 8.280 nan 0.000 0.423 992 L N 3.456 124.598 121.223 -0.135 0.000 2.514 992 L HA 0.101 4.439 4.340 -0.003 0.000 0.280 992 L C 0.382 177.151 176.870 -0.168 0.000 1.223 992 L CA -0.751 53.971 54.840 -0.196 0.000 0.864 992 L CB 0.200 42.026 42.059 -0.388 0.000 1.118 992 L HN 0.251 nan 8.230 nan 0.000 0.494 993 E N 4.167 124.303 120.200 -0.107 0.000 2.491 993 E HA 0.439 4.788 4.350 -0.003 0.000 0.250 993 E C 0.375 176.919 176.600 -0.094 0.000 1.061 993 E CA 0.586 56.934 56.400 -0.086 0.000 0.942 993 E CB -0.689 28.981 29.700 -0.050 0.000 0.957 993 E HN 0.978 nan 8.360 nan 0.000 0.480 994 G N 0.000 108.733 108.800 -0.112 0.000 5.446 994 G HA2 0.000 3.958 3.960 -0.003 0.000 0.244 994 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 994 G CA 0.000 45.031 45.100 -0.114 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925