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 3fpb_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 0.000 176.197 176.300 -0.172 0.000 1.140 1 M CA 0.000 55.177 55.300 -0.205 0.000 0.988 1 M CB 0.000 32.339 32.600 -0.435 0.000 1.302 2 E N 1.883 121.980 120.200 -0.172 0.000 2.289 2 E HA 0.561 4.926 4.350 0.025 0.000 0.278 2 E C 0.650 177.174 176.600 -0.127 0.000 1.032 2 E CA 0.888 57.236 56.400 -0.087 0.000 0.854 2 E CB 1.285 30.968 29.700 -0.027 0.000 1.046 2 E HN 0.760 nan 8.360 nan 0.000 0.409 3 A N 2.942 125.738 122.820 -0.041 0.000 2.930 3 A HA -0.249 4.086 4.320 0.025 0.000 0.273 3 A C 1.562 179.013 177.584 -0.221 0.000 1.435 3 A CA 1.067 53.048 52.037 -0.094 0.000 0.780 3 A CB -1.973 16.953 19.000 -0.124 0.000 1.034 3 A HN 0.682 nan 8.150 nan 0.000 0.562 4 A N 0.366 123.117 122.820 -0.114 0.000 2.024 4 A HA -0.130 4.205 4.320 0.025 0.000 0.220 4 A C 1.819 179.353 177.584 -0.083 0.000 1.164 4 A CA 2.024 53.993 52.037 -0.113 0.000 0.643 4 A CB -0.963 18.006 19.000 -0.051 0.000 0.806 4 A HN 1.654 nan 8.150 nan 0.000 0.451 5 H N -0.161 118.902 119.070 -0.012 0.000 2.457 5 H HA -0.048 4.523 4.556 0.025 0.000 0.294 5 H C 1.682 177.023 175.328 0.023 0.000 1.064 5 H CA 1.646 57.699 56.048 0.009 0.000 1.330 5 H CB -0.688 29.097 29.762 0.037 0.000 1.395 5 H HN 0.555 nan 8.280 nan 0.000 0.541 6 S N 0.303 115.594 115.700 -0.681 0.000 2.605 6 S HA 0.143 4.628 4.470 0.025 0.000 0.217 6 S C 0.433 174.930 174.600 -0.171 0.000 0.958 6 S CA -0.731 57.239 58.200 -0.384 0.000 0.919 6 S CB 0.146 63.069 63.200 -0.462 0.000 0.780 6 S HN 0.346 nan 8.310 nan 0.000 0.507 7 K N 1.277 121.597 120.400 -0.134 0.000 2.346 7 K HA 0.532 4.867 4.320 0.025 0.000 0.238 7 K C -0.185 176.404 176.600 -0.017 0.000 1.039 7 K CA -0.637 55.612 56.287 -0.063 0.000 0.861 7 K CB 1.088 33.546 32.500 -0.069 0.000 1.278 7 K HN 0.230 nan 8.250 nan 0.000 0.460 8 S N -0.710 114.989 115.700 -0.001 0.000 2.600 8 S HA -0.008 4.477 4.470 0.025 0.000 0.265 8 S C 1.384 175.999 174.600 0.026 0.000 1.325 8 S CA 0.199 58.409 58.200 0.018 0.000 1.002 8 S CB 0.624 63.834 63.200 0.017 0.000 0.921 8 S HN 0.686 nan 8.310 nan 0.000 0.554 9 T N -0.683 113.891 114.554 0.034 0.000 2.788 9 T HA -0.161 4.204 4.350 0.025 0.000 0.268 9 T C 1.532 176.261 174.700 0.048 0.000 1.044 9 T CA 1.286 63.410 62.100 0.040 0.000 1.139 9 T CB -0.670 68.220 68.868 0.036 0.000 0.867 9 T HN 0.815 nan 8.240 nan 0.000 0.454 10 E N 1.889 122.113 120.200 0.040 0.000 2.158 10 E HA -0.096 4.269 4.350 0.025 0.000 0.191 10 E C 1.956 178.589 176.600 0.055 0.000 0.982 10 E CA 0.921 57.348 56.400 0.045 0.000 0.823 10 E CB -0.513 29.206 29.700 0.032 0.000 0.766 10 E HN 0.684 nan 8.360 nan 0.000 0.468 11 E N 0.506 120.733 120.200 0.044 0.000 2.118 11 E HA -0.134 4.231 4.350 0.025 0.000 0.195 11 E C 2.140 178.789 176.600 0.082 0.000 0.992 11 E CA 1.587 58.017 56.400 0.050 0.000 0.804 11 E CB -0.226 29.489 29.700 0.024 0.000 0.741 11 E HN 0.278 nan 8.360 nan 0.000 0.458 12 C N 0.342 119.689 119.300 0.077 0.000 2.457 12 C HA -0.015 4.459 4.460 0.025 0.000 0.278 12 C C 2.545 177.674 174.990 0.232 0.000 1.309 12 C CA 0.131 59.220 59.018 0.118 0.000 1.735 12 C CB -0.769 27.030 27.740 0.099 0.000 1.992 12 C HN 0.381 nan 8.230 nan 0.000 0.493 13 L N 1.304 122.632 121.223 0.175 0.000 2.017 13 L HA -0.169 4.186 4.340 0.025 0.000 0.208 13 L C 2.906 179.885 176.870 0.182 0.000 1.073 13 L CA 1.817 56.768 54.840 0.184 0.000 0.745 13 L CB -0.809 41.315 42.059 0.109 0.000 0.894 13 L HN 0.325 nan 8.230 nan 0.000 0.432 14 A N -0.827 122.067 122.820 0.125 0.000 1.877 14 A HA -0.306 4.029 4.320 0.025 0.000 0.216 14 A C 2.206 179.831 177.584 0.068 0.000 1.186 14 A CA 1.673 53.760 52.037 0.082 0.000 0.620 14 A CB -1.079 17.954 19.000 0.055 0.000 0.822 14 A HN 0.481 nan 8.150 nan 0.000 0.443 15 Y N -0.587 119.684 120.300 -0.050 0.000 2.096 15 Y HA -0.315 4.250 4.550 0.025 0.000 0.278 15 Y C 1.663 177.423 175.900 -0.235 0.000 1.192 15 Y CA 2.527 60.508 58.100 -0.199 0.000 1.143 15 Y CB -0.373 37.877 38.460 -0.349 0.000 0.963 15 Y HN 0.303 nan 8.280 nan 0.000 0.505 16 F N -0.647 119.403 119.950 0.166 0.000 2.727 16 F HA 0.292 4.834 4.527 0.025 0.000 0.302 16 F C 1.660 177.509 175.800 0.082 0.000 1.097 16 F CA 0.383 58.465 58.000 0.135 0.000 1.330 16 F CB 0.215 39.364 39.000 0.248 0.000 1.084 16 F HN 0.104 nan 8.300 nan 0.000 0.578 17 G N 1.948 110.862 108.800 0.190 0.000 2.295 17 G HA2 -0.177 3.798 3.960 0.025 0.000 0.287 17 G HA3 -0.177 3.798 3.960 0.025 0.000 0.287 17 G C -0.183 174.793 174.900 0.125 0.000 1.055 17 G CA 0.297 45.470 45.100 0.122 0.000 0.922 17 G HN 0.502 nan 8.290 nan 0.000 0.503 18 V N -2.396 117.606 119.914 0.148 0.000 2.715 18 V HA 0.938 5.073 4.120 0.025 0.000 0.310 18 V C 0.449 176.584 176.094 0.068 0.000 1.054 18 V CA -0.289 62.067 62.300 0.092 0.000 0.928 18 V CB 1.942 33.812 31.823 0.078 0.000 1.007 18 V HN 1.492 nan 8.190 nan 0.000 0.437 19 S N 1.664 117.387 115.700 0.039 0.000 2.513 19 S HA 0.238 4.723 4.470 0.025 0.000 0.276 19 S C 0.923 175.529 174.600 0.010 0.000 1.254 19 S CA 0.468 58.681 58.200 0.023 0.000 1.053 19 S CB 1.078 64.284 63.200 0.010 0.000 0.958 19 S HN 1.175 nan 8.310 nan 0.000 0.491 20 E N 3.045 123.245 120.200 -0.000 0.000 2.219 20 E HA -0.176 4.189 4.350 0.025 0.000 0.198 20 E C 1.195 177.744 176.600 -0.084 0.000 0.998 20 E CA 1.923 58.306 56.400 -0.029 0.000 0.818 20 E CB -0.372 29.312 29.700 -0.027 0.000 0.741 20 E HN 0.863 nan 8.360 nan 0.000 0.477 21 T N -3.021 111.493 114.554 -0.068 0.000 3.105 21 T HA 0.114 4.479 4.350 0.025 0.000 0.253 21 T C 1.303 175.969 174.700 -0.057 0.000 1.047 21 T CA 0.453 62.493 62.100 -0.099 0.000 0.944 21 T CB 0.548 69.370 68.868 -0.076 0.000 1.016 21 T HN 0.267 nan 8.240 nan 0.000 0.544 22 T N -1.894 112.651 114.554 -0.014 0.000 3.336 22 T HA 0.542 4.907 4.350 0.025 0.000 0.273 22 T C 1.040 175.774 174.700 0.057 0.000 0.932 22 T CA 0.881 62.997 62.100 0.026 0.000 0.995 22 T CB 0.367 69.246 68.868 0.018 0.000 1.213 22 T HN 1.194 nan 8.240 nan 0.000 0.502 23 G N 1.557 110.380 108.800 0.039 0.000 2.592 23 G HA2 0.022 3.997 3.960 0.025 0.000 0.684 23 G HA3 0.022 3.997 3.960 0.025 0.000 0.684 23 G C -0.837 174.065 174.900 0.003 0.000 1.291 23 G CA -0.608 44.515 45.100 0.038 0.000 0.891 23 G HN 0.726 nan 8.290 nan 0.000 0.544 24 L N 1.354 122.558 121.223 -0.032 0.000 2.578 24 L HA 0.253 4.608 4.340 0.025 0.000 0.279 24 L C 2.007 178.848 176.870 -0.047 0.000 1.227 24 L CA 0.556 55.352 54.840 -0.073 0.000 0.900 24 L CB 0.019 41.992 42.059 -0.145 0.000 1.144 24 L HN 1.034 nan 8.230 nan 0.000 0.496 25 T N 0.571 115.098 114.554 -0.045 0.000 2.802 25 T HA 0.149 4.514 4.350 0.025 0.000 0.305 25 T C -1.351 173.324 174.700 -0.043 0.000 1.053 25 T CA -1.332 60.749 62.100 -0.031 0.000 1.058 25 T CB 1.087 69.942 68.868 -0.022 0.000 0.988 25 T HN 0.570 nan 8.240 nan 0.000 0.539 26 P HA 0.086 nan 4.420 nan 0.000 0.245 26 P C 0.595 177.880 177.300 -0.025 0.000 1.212 26 P CA 0.467 63.550 63.100 -0.027 0.000 0.774 26 P CB 0.174 31.866 31.700 -0.014 0.000 0.999 27 D N 0.739 121.126 120.400 -0.023 0.000 2.091 27 D HA -0.152 4.503 4.640 0.025 0.000 0.199 27 D C 2.175 178.462 176.300 -0.021 0.000 0.980 27 D CA 1.316 55.309 54.000 -0.012 0.000 0.831 27 D CB -0.403 40.395 40.800 -0.003 0.000 0.987 27 D HN 0.041 nan 8.370 nan 0.000 0.460 28 Q N -0.152 119.609 119.800 -0.065 0.000 2.133 28 Q HA -0.174 4.181 4.340 0.025 0.000 0.208 28 Q C 2.399 178.270 176.000 -0.214 0.000 0.991 28 Q CA 1.671 57.371 55.803 -0.172 0.000 0.867 28 Q CB -0.191 28.394 28.738 -0.255 0.000 0.911 28 Q HN 0.254 nan 8.270 nan 0.000 0.417 29 V N 0.860 120.691 119.914 -0.137 0.000 2.295 29 V HA -0.267 3.868 4.120 0.025 0.000 0.246 29 V C 2.068 178.165 176.094 0.005 0.000 1.049 29 V CA 1.863 64.119 62.300 -0.073 0.000 1.024 29 V CB -0.488 31.302 31.823 -0.056 0.000 0.648 29 V HN 0.199 nan 8.190 nan 0.000 0.447 30 K N 0.400 120.805 120.400 0.009 0.000 2.020 30 K HA -0.203 4.132 4.320 0.025 0.000 0.212 30 K C 2.267 178.904 176.600 0.062 0.000 1.050 30 K CA 1.727 58.032 56.287 0.030 0.000 0.929 30 K CB -0.590 31.925 32.500 0.024 0.000 0.714 30 K HN 0.289 nan 8.250 nan 0.000 0.443 31 R N 0.409 120.963 120.500 0.091 0.000 2.091 31 R HA -0.084 4.270 4.340 0.025 0.000 0.238 31 R C 2.003 178.416 176.300 0.189 0.000 1.136 31 R CA 1.908 58.085 56.100 0.128 0.000 0.959 31 R CB -0.886 29.511 30.300 0.162 0.000 0.856 31 R HN 0.562 nan 8.270 nan 0.000 0.437 32 H N -0.947 118.170 119.070 0.079 0.000 2.395 32 H HA -0.061 4.510 4.556 0.025 0.000 0.299 32 H C 1.628 177.057 175.328 0.168 0.000 1.070 32 H CA 0.986 57.158 56.048 0.207 0.000 1.356 32 H CB 0.169 30.076 29.762 0.241 0.000 1.401 32 H HN 0.086 nan 8.280 nan 0.000 0.524 33 L N 1.692 123.017 121.223 0.169 0.000 2.083 33 L HA -0.160 4.195 4.340 0.025 0.000 0.209 33 L C 1.940 178.807 176.870 -0.006 0.000 1.083 33 L CA 1.583 56.430 54.840 0.012 0.000 0.752 33 L CB -0.479 41.533 42.059 -0.079 0.000 0.899 33 L HN 0.271 nan 8.230 nan 0.000 0.433 34 E N -0.938 119.267 120.200 0.008 0.000 2.046 34 E HA -0.241 4.124 4.350 0.025 0.000 0.190 34 E C 2.038 178.599 176.600 -0.065 0.000 0.982 34 E CA 1.023 57.416 56.400 -0.012 0.000 0.800 34 E CB -0.186 29.510 29.700 -0.007 0.000 0.756 34 E HN 0.372 nan 8.360 nan 0.000 0.449 35 K N -0.043 120.267 120.400 -0.150 0.000 2.288 35 K HA -0.109 4.226 4.320 0.025 0.000 0.201 35 K C 0.629 176.941 176.600 -0.480 0.000 1.048 35 K CA 1.084 57.152 56.287 -0.365 0.000 0.956 35 K CB 0.229 32.390 32.500 -0.564 0.000 0.746 35 K HN 0.207 nan 8.250 nan 0.000 0.461 36 Y N -0.869 119.432 120.300 0.001 0.000 2.563 36 Y HA 0.220 4.784 4.550 0.025 0.000 0.250 36 Y C 0.795 176.701 175.900 0.011 0.000 1.126 36 Y CA -0.156 57.950 58.100 0.010 0.000 1.231 36 Y CB 1.423 39.890 38.460 0.012 0.000 1.288 36 Y HN 0.202 nan 8.280 nan 0.000 0.537 37 G N 0.797 109.665 108.800 0.113 0.000 2.697 37 G HA2 -0.245 3.729 3.960 0.025 0.000 0.240 37 G HA3 -0.245 3.729 3.960 0.025 0.000 0.240 37 G C -0.541 174.366 174.900 0.013 0.000 1.346 37 G CA -0.456 44.698 45.100 0.090 0.000 0.887 37 G HN 0.391 nan 8.290 nan 0.000 0.569 38 H N 0.074 119.191 119.070 0.078 0.000 2.546 38 H HA 0.298 4.869 4.556 0.025 0.000 0.365 38 H C 0.662 176.025 175.328 0.059 0.000 1.220 38 H CA 0.328 56.414 56.048 0.064 0.000 1.386 38 H CB 1.030 30.819 29.762 0.046 0.000 1.510 38 H HN 0.461 nan 8.280 nan 0.000 0.591 39 N N 1.671 120.462 118.700 0.151 0.000 3.083 39 N HA 0.025 4.780 4.740 0.025 0.000 0.260 39 N C -1.219 174.345 175.510 0.090 0.000 1.163 39 N CA -0.351 52.754 53.050 0.092 0.000 1.060 39 N CB -0.056 38.462 38.487 0.053 0.000 1.345 39 N HN 0.611 nan 8.380 nan 0.000 0.515 40 E N 1.333 121.588 120.200 0.092 0.000 2.380 40 E HA 0.204 4.569 4.350 0.025 0.000 0.281 40 E C -1.000 175.639 176.600 0.066 0.000 0.999 40 E CA -0.863 55.581 56.400 0.073 0.000 0.800 40 E CB 0.744 30.485 29.700 0.068 0.000 1.228 40 E HN 0.060 nan 8.360 nan 0.000 0.436 41 L N 1.990 123.247 121.223 0.056 0.000 2.540 41 L HA 0.196 4.551 4.340 0.025 0.000 0.276 41 L C -1.937 174.959 176.870 0.043 0.000 1.212 41 L CA -1.551 53.318 54.840 0.048 0.000 0.893 41 L CB -0.502 41.585 42.059 0.046 0.000 1.138 41 L HN 0.383 nan 8.230 nan 0.000 0.491 42 P HA 0.138 nan 4.420 nan 0.000 0.271 42 P C -0.403 176.913 177.300 0.026 0.000 1.216 42 P CA -0.404 62.715 63.100 0.032 0.000 0.771 42 P CB 0.784 32.503 31.700 0.031 0.000 0.864 43 A N 2.543 125.376 122.820 0.022 0.000 2.507 43 A HA 0.145 4.480 4.320 0.025 0.000 0.235 43 A C 0.331 177.926 177.584 0.019 0.000 1.070 43 A CA 0.297 52.346 52.037 0.020 0.000 0.768 43 A CB -0.394 18.616 19.000 0.016 0.000 1.011 43 A HN 0.545 nan 8.150 nan 0.000 0.502 44 E N 0.482 120.693 120.200 0.018 0.000 2.155 44 E HA 0.358 4.723 4.350 0.025 0.000 0.264 44 E C 0.513 177.123 176.600 0.017 0.000 0.886 44 E CA -0.263 56.147 56.400 0.017 0.000 0.752 44 E CB 1.245 30.953 29.700 0.014 0.000 1.133 44 E HN 0.674 nan 8.360 nan 0.000 0.414 45 E N 3.170 123.381 120.200 0.019 0.000 2.028 45 E HA 0.108 4.473 4.350 0.025 0.000 0.190 45 E C -0.023 176.589 176.600 0.021 0.000 0.984 45 E CA 1.058 57.470 56.400 0.020 0.000 0.800 45 E CB -0.005 29.708 29.700 0.023 0.000 0.758 45 E HN 0.791 nan 8.360 nan 0.000 0.448 46 G N 1.377 110.190 108.800 0.022 0.000 3.307 46 G HA2 -0.244 3.731 3.960 0.025 0.000 0.686 46 G HA3 -0.244 3.731 3.960 0.025 0.000 0.686 46 G C -1.017 173.901 174.900 0.030 0.000 0.983 46 G CA -0.161 44.951 45.100 0.021 0.000 0.804 46 G HN 0.118 nan 8.290 nan 0.000 0.531 47 K N 1.072 121.491 120.400 0.032 0.000 2.476 47 K HA 0.178 4.513 4.320 0.025 0.000 0.273 47 K C 1.141 177.775 176.600 0.057 0.000 1.056 47 K CA 1.049 57.363 56.287 0.045 0.000 1.150 47 K CB 0.330 32.853 32.500 0.038 0.000 0.838 47 K HN 0.682 nan 8.250 nan 0.000 0.486 48 S N 2.998 118.746 115.700 0.079 0.000 2.523 48 S HA 0.099 4.584 4.470 0.025 0.000 0.275 48 S C 1.103 175.784 174.600 0.136 0.000 1.281 48 S CA -1.010 57.250 58.200 0.100 0.000 1.050 48 S CB 0.399 63.663 63.200 0.106 0.000 0.937 48 S HN 0.500 nan 8.310 nan 0.000 0.492 49 L N 5.014 126.316 121.223 0.130 0.000 2.642 49 L HA 0.107 4.462 4.340 0.025 0.000 0.236 49 L C 1.700 178.679 176.870 0.181 0.000 1.169 49 L CA 0.879 55.797 54.840 0.129 0.000 0.851 49 L CB -0.982 41.146 42.059 0.114 0.000 0.968 49 L HN 0.781 nan 8.230 nan 0.000 0.453 50 W N 2.180 123.509 121.300 0.049 0.000 2.378 50 W HA -0.192 4.483 4.660 0.025 0.000 0.313 50 W C 1.780 178.334 176.519 0.058 0.000 1.197 50 W CA 2.066 59.443 57.345 0.052 0.000 1.304 50 W CB 0.070 29.554 29.460 0.040 0.000 1.148 50 W HN 0.384 nan 8.180 nan 0.000 0.494 51 E N 0.709 120.998 120.200 0.148 0.000 2.338 51 E HA -0.148 4.217 4.350 0.025 0.000 0.197 51 E C 2.101 178.683 176.600 -0.029 0.000 1.007 51 E CA 1.106 57.527 56.400 0.036 0.000 0.849 51 E CB -0.589 29.173 29.700 0.104 0.000 0.774 51 E HN 0.323 nan 8.360 nan 0.000 0.506 52 L N 0.119 121.336 121.223 -0.011 0.000 2.034 52 L HA -0.121 4.233 4.340 0.025 0.000 0.203 52 L C 2.301 179.141 176.870 -0.050 0.000 1.074 52 L CA 0.561 55.391 54.840 -0.016 0.000 0.748 52 L CB -0.748 41.318 42.059 0.011 0.000 0.905 52 L HN 0.021 nan 8.230 nan 0.000 0.439 53 V N 0.951 120.826 119.914 -0.066 0.000 2.236 53 V HA -0.393 3.742 4.120 0.025 0.000 0.255 53 V C 2.410 178.479 176.094 -0.042 0.000 1.068 53 V CA 2.474 64.731 62.300 -0.070 0.000 1.044 53 V CB -0.556 31.193 31.823 -0.123 0.000 0.653 53 V HN 0.353 nan 8.190 nan 0.000 0.448 54 I N -0.548 119.899 120.570 -0.204 0.000 2.315 54 I HA -0.289 3.896 4.170 0.025 0.000 0.251 54 I C 2.418 178.541 176.117 0.010 0.000 1.125 54 I CA 1.807 63.025 61.300 -0.138 0.000 1.392 54 I CB -0.513 37.332 38.000 -0.259 0.000 1.065 54 I HN 0.473 nan 8.210 nan 0.000 0.424 55 E N 0.050 120.239 120.200 -0.018 0.000 2.299 55 E HA -0.134 4.231 4.350 0.025 0.000 0.193 55 E C 2.124 178.713 176.600 -0.019 0.000 0.998 55 E CA 0.234 56.632 56.400 -0.004 0.000 0.851 55 E CB 0.130 29.823 29.700 -0.012 0.000 0.795 55 E HN 0.421 nan 8.360 nan 0.000 0.492 56 Q N -0.403 119.357 119.800 -0.066 0.000 2.226 56 Q HA -0.109 4.246 4.340 0.025 0.000 0.204 56 Q C 1.027 176.856 176.000 -0.286 0.000 0.975 56 Q CA 1.034 56.716 55.803 -0.201 0.000 0.866 56 Q CB 0.008 28.558 28.738 -0.315 0.000 0.915 56 Q HN 0.344 nan 8.270 nan 0.000 0.440 57 F N 0.064 119.980 119.950 -0.056 0.000 2.664 57 F HA 0.106 4.647 4.527 0.024 0.000 0.301 57 F C 1.756 177.533 175.800 -0.037 0.000 1.126 57 F CA 0.072 58.044 58.000 -0.047 0.000 1.373 57 F CB 0.227 39.189 39.000 -0.063 0.000 1.042 57 F HN 0.040 nan 8.300 nan 0.000 0.535 58 E N 0.417 120.664 120.200 0.079 0.000 2.442 58 E HA -0.060 4.305 4.350 0.025 0.000 0.195 58 E C -0.242 176.378 176.600 0.033 0.000 1.030 58 E CA 0.053 56.484 56.400 0.051 0.000 0.869 58 E CB 0.143 29.859 29.700 0.027 0.000 0.857 58 E HN 0.415 nan 8.360 nan 0.000 0.505 59 D N -0.673 119.739 120.400 0.020 0.000 2.163 59 D HA 0.035 4.690 4.640 0.025 0.000 0.248 59 D C 0.960 177.273 176.300 0.022 0.000 1.035 59 D CA -0.647 53.361 54.000 0.013 0.000 0.872 59 D CB 1.326 42.127 40.800 0.002 0.000 1.183 59 D HN -0.212 nan 8.370 nan 0.000 0.445 60 L N 1.654 122.887 121.223 0.017 0.000 2.013 60 L HA -0.260 4.095 4.340 0.025 0.000 0.239 60 L C 2.073 178.956 176.870 0.022 0.000 1.100 60 L CA 1.727 56.576 54.840 0.016 0.000 0.826 60 L CB -0.914 41.147 42.059 0.003 0.000 0.921 60 L HN 0.695 nan 8.230 nan 0.000 0.445 61 L N -0.660 120.570 121.223 0.012 0.000 2.230 61 L HA -0.269 4.086 4.340 0.025 0.000 0.217 61 L C 2.487 179.374 176.870 0.028 0.000 1.090 61 L CA 2.390 57.238 54.840 0.014 0.000 0.771 61 L CB -0.727 41.339 42.059 0.011 0.000 0.892 61 L HN 0.573 nan 8.230 nan 0.000 0.438 62 V N -3.473 116.461 119.914 0.033 0.000 2.500 62 V HA -0.118 4.017 4.120 0.025 0.000 0.243 62 V C 2.503 178.679 176.094 0.137 0.000 1.039 62 V CA 0.691 63.031 62.300 0.067 0.000 1.053 62 V CB -0.593 31.225 31.823 -0.008 0.000 0.695 62 V HN 0.290 nan 8.190 nan 0.000 0.463 63 R N 0.342 120.913 120.500 0.119 0.000 2.117 63 R HA -0.068 4.287 4.340 0.025 0.000 0.243 63 R C 2.455 178.795 176.300 0.067 0.000 1.143 63 R CA 2.174 58.334 56.100 0.100 0.000 0.968 63 R CB -0.710 29.630 30.300 0.067 0.000 0.863 63 R HN 0.618 nan 8.270 nan 0.000 0.444 64 I N 0.860 121.460 120.570 0.051 0.000 2.194 64 I HA -0.314 3.871 4.170 0.025 0.000 0.246 64 I C 1.491 177.637 176.117 0.047 0.000 1.093 64 I CA 1.647 62.969 61.300 0.037 0.000 1.355 64 I CB 0.101 38.114 38.000 0.022 0.000 1.046 64 I HN 0.136 nan 8.210 nan 0.000 0.413 65 L N -0.038 121.223 121.223 0.064 0.000 2.068 65 L HA -0.129 4.226 4.340 0.025 0.000 0.204 65 L C 2.227 179.141 176.870 0.072 0.000 1.076 65 L CA 1.098 55.980 54.840 0.070 0.000 0.753 65 L CB -1.065 41.043 42.059 0.082 0.000 0.910 65 L HN 0.242 nan 8.230 nan 0.000 0.439 66 L N -0.652 120.628 121.223 0.095 0.000 2.197 66 L HA -0.229 4.126 4.340 0.025 0.000 0.215 66 L C 2.202 179.078 176.870 0.009 0.000 1.095 66 L CA 1.627 56.493 54.840 0.043 0.000 0.764 66 L CB -0.489 41.586 42.059 0.028 0.000 0.897 66 L HN 0.278 nan 8.230 nan 0.000 0.436 67 L N -0.783 120.459 121.223 0.032 0.000 2.034 67 L HA 0.126 4.481 4.340 0.025 0.000 0.203 67 L C 2.479 179.380 176.870 0.052 0.000 1.074 67 L CA 1.824 56.685 54.840 0.034 0.000 0.748 67 L CB -1.144 40.940 42.059 0.041 0.000 0.905 67 L HN 0.201 nan 8.230 nan 0.000 0.439 68 A N 0.459 123.313 122.820 0.057 0.000 1.885 68 A HA -0.332 4.003 4.320 0.025 0.000 0.215 68 A C 2.506 180.130 177.584 0.067 0.000 1.255 68 A CA 3.168 55.245 52.037 0.067 0.000 0.692 68 A CB -1.772 17.264 19.000 0.059 0.000 0.842 68 A HN 0.751 nan 8.150 nan 0.000 0.465 69 A N -1.464 121.385 122.820 0.049 0.000 1.968 69 A HA -0.385 3.950 4.320 0.025 0.000 0.227 69 A C 2.360 179.975 177.584 0.051 0.000 1.381 69 A CA 2.694 54.748 52.037 0.028 0.000 0.697 69 A CB -1.840 17.150 19.000 -0.016 0.000 0.836 69 A HN 0.871 nan 8.150 nan 0.000 0.497 70 C N -0.846 118.475 119.300 0.035 0.000 2.432 70 C HA -0.097 4.378 4.460 0.025 0.000 0.277 70 C C 2.542 177.636 174.990 0.172 0.000 1.249 70 C CA 1.017 60.077 59.018 0.070 0.000 1.725 70 C CB -1.476 26.273 27.740 0.015 0.000 2.028 70 C HN 0.668 nan 8.230 nan 0.000 0.477 71 I N 2.250 122.901 120.570 0.134 0.000 2.493 71 I HA -0.137 4.048 4.170 0.025 0.000 0.254 71 I C 2.515 178.713 176.117 0.136 0.000 1.160 71 I CA 1.837 63.224 61.300 0.144 0.000 1.445 71 I CB -0.600 37.506 38.000 0.176 0.000 1.086 71 I HN 0.435 nan 8.210 nan 0.000 0.433 72 S N 0.427 116.200 115.700 0.122 0.000 2.489 72 S HA -0.092 4.393 4.470 0.025 0.000 0.228 72 S C 1.809 176.455 174.600 0.076 0.000 0.995 72 S CA 0.283 58.534 58.200 0.085 0.000 0.934 72 S CB -0.535 62.707 63.200 0.070 0.000 0.771 72 S HN 0.515 nan 8.310 nan 0.000 0.522 73 F N 1.776 121.713 119.950 -0.021 0.000 2.530 73 F HA 0.262 4.804 4.527 0.024 0.000 0.292 73 F C 1.890 177.752 175.800 0.104 0.000 1.109 73 F CA 0.331 58.328 58.000 -0.007 0.000 1.450 73 F CB 0.051 39.045 39.000 -0.011 0.000 1.114 73 F HN 0.046 nan 8.300 nan 0.000 0.560 74 V N 0.384 120.454 119.914 0.260 0.000 2.295 74 V HA -0.287 3.848 4.120 0.025 0.000 0.246 74 V C 2.284 178.527 176.094 0.247 0.000 1.049 74 V CA 1.550 63.998 62.300 0.246 0.000 1.024 74 V CB -0.807 31.086 31.823 0.118 0.000 0.648 74 V HN 0.251 nan 8.190 nan 0.000 0.447 75 L N 0.511 121.803 121.223 0.114 0.000 2.093 75 L HA -0.040 4.315 4.340 0.025 0.000 0.208 75 L C 2.624 179.465 176.870 -0.048 0.000 1.085 75 L CA 2.039 56.924 54.840 0.075 0.000 0.755 75 L CB -1.422 40.667 42.059 0.051 0.000 0.904 75 L HN 0.287 nan 8.230 nan 0.000 0.435 76 A N -1.264 121.413 122.820 -0.238 0.000 1.908 76 A HA -0.270 4.065 4.320 0.025 0.000 0.218 76 A C 2.268 179.364 177.584 -0.814 0.000 1.181 76 A CA 1.714 53.359 52.037 -0.655 0.000 0.627 76 A CB -1.018 17.346 19.000 -1.061 0.000 0.818 76 A HN 0.594 nan 8.150 nan 0.000 0.445 77 W N -0.125 120.713 121.300 -0.769 0.000 2.381 77 W HA -0.060 4.614 4.660 0.024 0.000 0.321 77 W C 0.302 176.598 176.519 -0.372 0.000 1.196 77 W CA 1.088 58.111 57.345 -0.536 0.000 1.304 77 W CB -0.627 28.528 29.460 -0.510 0.000 1.166 77 W HN 0.298 nan 8.180 nan 0.000 0.473 78 F N 2.352 122.373 119.950 0.119 0.000 2.665 78 F HA 0.040 4.583 4.527 0.026 0.000 0.360 78 F C 0.354 176.158 175.800 0.006 0.000 1.168 78 F CA 0.319 58.372 58.000 0.089 0.000 1.366 78 F CB -1.370 37.682 39.000 0.087 0.000 1.592 78 F HN -0.172 nan 8.300 nan 0.000 0.610 79 E N 0.826 121.043 120.200 0.028 0.000 2.283 79 E HA 0.163 4.528 4.350 0.025 0.000 0.278 79 E C 0.033 176.638 176.600 0.009 0.000 1.027 79 E CA -0.589 55.810 56.400 -0.002 0.000 0.843 79 E CB 0.686 30.338 29.700 -0.080 0.000 1.062 79 E HN 0.218 nan 8.360 nan 0.000 0.401 80 E N 2.256 122.474 120.200 0.030 0.000 2.458 80 E HA 0.104 4.469 4.350 0.025 0.000 0.264 80 E C 0.213 176.817 176.600 0.007 0.000 1.097 80 E CA 0.813 57.232 56.400 0.031 0.000 0.973 80 E CB 0.530 30.254 29.700 0.040 0.000 0.963 80 E HN 0.621 nan 8.360 nan 0.000 0.451 81 G N 3.066 111.871 108.800 0.009 0.000 2.991 81 G HA2 0.011 3.986 3.960 0.025 0.000 0.262 81 G HA3 0.011 3.986 3.960 0.025 0.000 0.262 81 G C -0.006 174.894 174.900 -0.001 0.000 0.765 81 G CA 0.244 45.342 45.100 -0.004 0.000 2.051 81 G HN 0.502 nan 8.290 nan 0.000 0.602 82 E N -0.321 119.876 120.200 -0.005 0.000 4.452 82 E HA 0.097 4.462 4.350 0.025 0.000 0.189 82 E C -0.304 176.289 176.600 -0.011 0.000 1.163 82 E CA -0.748 55.652 56.400 -0.000 0.000 0.841 82 E CB 0.385 30.093 29.700 0.013 0.000 2.367 82 E HN 0.121 nan 8.360 nan 0.000 0.483 83 E N 2.124 122.318 120.200 -0.009 0.000 2.311 83 E HA -0.045 4.320 4.350 0.025 0.000 0.285 83 E C 0.435 177.018 176.600 -0.028 0.000 1.122 83 E CA 0.432 56.821 56.400 -0.018 0.000 1.145 83 E CB -0.468 29.222 29.700 -0.018 0.000 1.066 83 E HN 0.404 nan 8.360 nan 0.000 0.461 84 T N -2.142 112.394 114.554 -0.031 0.000 3.040 84 T HA 0.019 4.384 4.350 0.025 0.000 0.252 84 T C 1.556 176.240 174.700 -0.027 0.000 1.064 84 T CA -0.223 61.852 62.100 -0.041 0.000 1.110 84 T CB -0.034 68.802 68.868 -0.054 0.000 0.921 84 T HN 0.322 nan 8.240 nan 0.000 0.480 85 I N 3.197 123.751 120.570 -0.027 0.000 3.444 85 I HA 0.148 4.333 4.170 0.025 0.000 0.287 85 I C 0.377 176.487 176.117 -0.011 0.000 1.302 85 I CA 0.814 62.098 61.300 -0.027 0.000 1.368 85 I CB -0.037 37.943 38.000 -0.034 0.000 1.048 85 I HN 0.513 nan 8.210 nan 0.000 0.487 86 T N -3.301 111.257 114.554 0.007 0.000 4.734 86 T HA 0.375 4.739 4.350 0.025 0.000 0.261 86 T C 0.661 175.384 174.700 0.039 0.000 0.927 86 T CA -0.017 62.102 62.100 0.033 0.000 1.109 86 T CB -0.618 68.239 68.868 -0.019 0.000 0.866 86 T HN 0.018 nan 8.240 nan 0.000 0.473 87 A N 0.091 122.936 122.820 0.042 0.000 2.167 87 A HA 0.418 4.753 4.320 0.025 0.000 0.214 87 A C 1.226 178.782 177.584 -0.046 0.000 1.151 87 A CA 0.417 52.428 52.037 -0.042 0.000 0.735 87 A CB -0.746 18.177 19.000 -0.129 0.000 0.802 87 A HN 0.595 nan 8.150 nan 0.000 0.467 88 F N -0.718 119.267 119.950 0.058 0.000 2.789 88 F HA 0.007 4.549 4.527 0.026 0.000 0.300 88 F C 1.994 177.993 175.800 0.333 0.000 1.132 88 F CA 0.487 58.617 58.000 0.217 0.000 1.404 88 F CB 0.239 39.399 39.000 0.266 0.000 1.114 88 F HN 0.055 nan 8.300 nan 0.000 0.584 89 V N -0.298 119.804 119.914 0.312 0.000 2.255 89 V HA -0.338 3.797 4.120 0.025 0.000 0.247 89 V C 2.255 178.494 176.094 0.243 0.000 1.051 89 V CA 2.177 64.625 62.300 0.247 0.000 1.018 89 V CB -0.905 30.956 31.823 0.063 0.000 0.641 89 V HN 0.318 nan 8.190 nan 0.000 0.445 90 E N 1.010 121.299 120.200 0.149 0.000 2.063 90 E HA -0.274 4.091 4.350 0.025 0.000 0.221 90 E C -0.003 176.669 176.600 0.120 0.000 1.052 90 E CA 2.882 59.352 56.400 0.116 0.000 0.891 90 E CB -1.249 28.488 29.700 0.063 0.000 0.792 90 E HN 0.437 nan 8.360 nan 0.000 0.482 91 P HA -0.198 nan 4.420 nan 0.000 0.218 91 P C 0.888 178.116 177.300 -0.121 0.000 1.154 91 P CA 1.809 64.884 63.100 -0.042 0.000 0.872 91 P CB -0.153 31.503 31.700 -0.073 0.000 0.790 92 F N -2.018 118.084 119.950 0.253 0.000 2.317 92 F HA -0.062 4.481 4.527 0.026 0.000 0.293 92 F C 2.366 178.258 175.800 0.154 0.000 1.085 92 F CA 0.461 58.585 58.000 0.207 0.000 1.390 92 F CB -1.145 37.986 39.000 0.217 0.000 1.077 92 F HN -0.310 nan 8.300 nan 0.000 0.517 93 V N 1.080 121.174 119.914 0.300 0.000 2.219 93 V HA -0.347 3.788 4.120 0.025 0.000 0.248 93 V C 2.362 178.564 176.094 0.180 0.000 1.053 93 V CA 2.002 64.436 62.300 0.224 0.000 1.009 93 V CB -0.664 31.286 31.823 0.211 0.000 0.636 93 V HN 0.256 nan 8.190 nan 0.000 0.445 94 I N -0.545 120.115 120.570 0.150 0.000 2.093 94 I HA -0.350 3.835 4.170 0.025 0.000 0.239 94 I C 2.411 178.597 176.117 0.115 0.000 1.026 94 I CA 1.883 63.252 61.300 0.115 0.000 1.295 94 I CB -0.644 37.407 38.000 0.086 0.000 1.007 94 I HN 0.323 nan 8.210 nan 0.000 0.401 95 L N 0.174 121.455 121.223 0.097 0.000 2.275 95 L HA -0.128 4.227 4.340 0.025 0.000 0.215 95 L C 2.030 178.990 176.870 0.150 0.000 1.119 95 L CA 1.458 56.354 54.840 0.093 0.000 0.790 95 L CB -0.840 41.227 42.059 0.013 0.000 0.919 95 L HN 0.224 nan 8.230 nan 0.000 0.443 96 L N -1.145 120.182 121.223 0.173 0.000 2.179 96 L HA -0.055 4.300 4.340 0.025 0.000 0.208 96 L C 2.214 179.164 176.870 0.134 0.000 1.096 96 L CA 1.423 56.361 54.840 0.163 0.000 0.779 96 L CB -0.480 41.682 42.059 0.173 0.000 0.922 96 L HN 0.113 nan 8.230 nan 0.000 0.443 97 I N -1.044 119.603 120.570 0.128 0.000 2.286 97 I HA -0.203 3.982 4.170 0.025 0.000 0.245 97 I C 2.387 178.560 176.117 0.093 0.000 1.104 97 I CA 0.660 62.018 61.300 0.097 0.000 1.397 97 I CB -1.126 36.929 38.000 0.091 0.000 1.072 97 I HN 0.195 nan 8.210 nan 0.000 0.417 98 L N 1.036 122.344 121.223 0.141 0.000 1.965 98 L HA -0.265 4.090 4.340 0.025 0.000 0.226 98 L C 2.599 179.583 176.870 0.190 0.000 1.083 98 L CA 2.096 57.062 54.840 0.210 0.000 0.790 98 L CB -1.345 40.968 42.059 0.423 0.000 0.898 98 L HN 0.166 nan 8.230 nan 0.000 0.439 99 I N -1.218 119.504 120.570 0.253 0.000 2.076 99 I HA -0.349 3.836 4.170 0.025 0.000 0.237 99 I C 2.617 178.789 176.117 0.092 0.000 1.059 99 I CA 1.350 62.775 61.300 0.208 0.000 1.317 99 I CB -1.024 37.080 38.000 0.174 0.000 1.037 99 I HN 0.304 nan 8.210 nan 0.000 0.398 100 A N 1.786 124.650 122.820 0.073 0.000 1.891 100 A HA -0.377 3.958 4.320 0.025 0.000 0.221 100 A C 2.126 179.713 177.584 0.005 0.000 1.394 100 A CA 2.908 54.964 52.037 0.033 0.000 0.730 100 A CB -1.364 17.655 19.000 0.031 0.000 0.845 100 A HN 0.543 nan 8.150 nan 0.000 0.471 101 N N -0.161 118.535 118.700 -0.006 0.000 2.073 101 N HA -0.258 4.497 4.740 0.025 0.000 0.199 101 N C 1.842 177.309 175.510 -0.072 0.000 1.023 101 N CA 2.259 55.287 53.050 -0.037 0.000 0.880 101 N CB -0.762 37.696 38.487 -0.047 0.000 1.052 101 N HN 0.608 nan 8.380 nan 0.000 0.449 102 A N 0.711 123.449 122.820 -0.135 0.000 1.930 102 A HA -0.049 4.286 4.320 0.025 0.000 0.217 102 A C 2.391 179.936 177.584 -0.065 0.000 1.175 102 A CA 0.908 52.820 52.037 -0.209 0.000 0.627 102 A CB -0.558 18.174 19.000 -0.447 0.000 0.815 102 A HN 0.288 nan 8.150 nan 0.000 0.443 103 I N -0.192 120.377 120.570 -0.002 0.000 2.099 103 I HA -0.266 3.919 4.170 0.025 0.000 0.239 103 I C 2.337 178.511 176.117 0.096 0.000 1.066 103 I CA 1.529 62.859 61.300 0.050 0.000 1.324 103 I CB -0.842 37.186 38.000 0.046 0.000 1.037 103 I HN 0.155 nan 8.210 nan 0.000 0.401 104 V N 1.588 121.546 119.914 0.073 0.000 2.277 104 V HA -0.340 3.795 4.120 0.025 0.000 0.253 104 V C 2.605 178.807 176.094 0.180 0.000 1.067 104 V CA 2.453 64.839 62.300 0.143 0.000 1.047 104 V CB -1.803 30.063 31.823 0.071 0.000 0.649 104 V HN 0.662 nan 8.190 nan 0.000 0.447 105 G N -0.585 108.259 108.800 0.073 0.000 2.422 105 G HA2 -0.165 3.810 3.960 0.025 0.000 0.218 105 G HA3 -0.165 3.810 3.960 0.025 0.000 0.218 105 G C 1.571 176.497 174.900 0.044 0.000 1.146 105 G CA 1.240 46.363 45.100 0.039 0.000 0.769 105 G HN 0.447 nan 8.290 nan 0.000 0.547 106 V N -0.546 119.403 119.914 0.059 0.000 2.283 106 V HA -0.086 4.049 4.120 0.025 0.000 0.243 106 V C 2.252 178.398 176.094 0.087 0.000 1.039 106 V CA 1.520 63.853 62.300 0.055 0.000 1.016 106 V CB -0.923 30.935 31.823 0.058 0.000 0.650 106 V HN 0.594 nan 8.190 nan 0.000 0.449 107 W N 1.881 123.177 121.300 -0.007 0.000 2.304 107 W HA -0.328 4.347 4.660 0.024 0.000 0.315 107 W C 2.741 179.259 176.519 -0.001 0.000 1.233 107 W CA 2.679 60.024 57.345 0.000 0.000 1.261 107 W CB -0.314 29.148 29.460 0.003 0.000 1.150 107 W HN 0.470 nan 8.180 nan 0.000 0.494 108 Q N -0.331 119.430 119.800 -0.066 0.000 2.291 108 Q HA -0.201 4.154 4.340 0.025 0.000 0.206 108 Q C 1.244 177.050 176.000 -0.322 0.000 0.976 108 Q CA 1.916 57.519 55.803 -0.333 0.000 0.875 108 Q CB -0.688 28.037 28.738 -0.022 0.000 0.927 108 Q HN 0.468 nan 8.270 nan 0.000 0.450 109 E N 0.554 120.635 120.200 -0.199 0.000 2.463 109 E HA 0.107 4.472 4.350 0.025 0.000 0.193 109 E C 0.253 176.754 176.600 -0.165 0.000 1.041 109 E CA -0.525 55.781 56.400 -0.156 0.000 0.879 109 E CB 0.296 29.947 29.700 -0.083 0.000 0.997 109 E HN 0.250 nan 8.360 nan 0.000 0.478 110 R N 1.411 121.766 120.500 -0.242 0.000 2.955 110 R HA -0.315 4.040 4.340 0.025 0.000 0.730 110 R C -0.558 175.671 176.300 -0.118 0.000 0.258 110 R CA 2.052 58.025 56.100 -0.212 0.000 2.230 110 R CB -0.328 29.757 30.300 -0.359 0.000 0.595 110 R HN 0.306 nan 8.270 nan 0.000 0.700 111 N N -2.824 115.817 118.700 -0.098 0.000 2.468 111 N HA -0.139 4.616 4.740 0.025 0.000 0.274 111 N C -0.204 175.290 175.510 -0.028 0.000 1.380 111 N CA 0.100 53.114 53.050 -0.061 0.000 0.782 111 N CB -0.427 38.020 38.487 -0.067 0.000 0.898 111 N HN 0.635 nan 8.380 nan 0.000 0.496 112 A N 2.240 125.052 122.820 -0.013 0.000 1.832 112 A HA -0.138 4.197 4.320 0.025 0.000 0.214 112 A C 1.047 178.631 177.584 0.000 0.000 1.200 112 A CA 1.489 53.527 52.037 0.002 0.000 0.610 112 A CB -0.286 18.721 19.000 0.010 0.000 0.842 112 A HN 0.771 nan 8.150 nan 0.000 0.444 113 E N 1.367 121.565 120.200 -0.002 0.000 2.537 113 E HA -0.123 4.242 4.350 0.025 0.000 0.269 113 E C -0.608 175.992 176.600 0.001 0.000 1.038 113 E CA 0.338 56.738 56.400 0.000 0.000 0.977 113 E CB 0.094 29.794 29.700 -0.000 0.000 0.973 113 E HN 0.481 nan 8.360 nan 0.000 0.456 114 N N 0.952 119.656 118.700 0.006 0.000 2.430 114 N HA 0.260 5.015 4.740 0.025 0.000 0.290 114 N C -0.189 175.329 175.510 0.014 0.000 1.063 114 N CA 0.079 53.134 53.050 0.009 0.000 0.883 114 N CB 1.740 40.234 38.487 0.011 0.000 1.465 114 N HN 0.479 nan 8.380 nan 0.000 0.493 115 A N 4.439 127.266 122.820 0.012 0.000 2.014 115 A HA -0.006 4.328 4.320 0.025 0.000 0.218 115 A C 1.897 179.498 177.584 0.029 0.000 1.163 115 A CA 0.732 52.780 52.037 0.018 0.000 0.652 115 A CB -0.225 18.781 19.000 0.010 0.000 0.808 115 A HN 0.737 nan 8.150 nan 0.000 0.449 116 I N 0.094 120.678 120.570 0.024 0.000 2.353 116 I HA -0.168 4.017 4.170 0.025 0.000 0.248 116 I C 2.491 178.631 176.117 0.038 0.000 1.119 116 I CA 1.475 62.794 61.300 0.031 0.000 1.417 116 I CB -1.103 36.911 38.000 0.023 0.000 1.078 116 I HN 0.532 nan 8.210 nan 0.000 0.421 117 E N 2.505 122.723 120.200 0.030 0.000 2.058 117 E HA -0.244 4.121 4.350 0.025 0.000 0.194 117 E C 2.147 178.768 176.600 0.035 0.000 0.997 117 E CA 1.969 58.385 56.400 0.027 0.000 0.801 117 E CB 0.014 29.724 29.700 0.017 0.000 0.746 117 E HN 0.378 nan 8.360 nan 0.000 0.450 118 A N 1.232 124.078 122.820 0.043 0.000 1.978 118 A HA -0.155 4.180 4.320 0.025 0.000 0.220 118 A C 2.292 179.954 177.584 0.130 0.000 1.170 118 A CA 1.568 53.643 52.037 0.063 0.000 0.636 118 A CB -0.629 18.412 19.000 0.067 0.000 0.810 118 A HN 0.380 nan 8.150 nan 0.000 0.448 119 L N -0.602 120.702 121.223 0.134 0.000 2.209 119 L HA 0.030 4.385 4.340 0.025 0.000 0.207 119 L C 1.973 178.973 176.870 0.217 0.000 1.094 119 L CA 1.747 56.710 54.840 0.206 0.000 0.790 119 L CB -0.259 41.859 42.059 0.098 0.000 0.932 119 L HN 0.290 nan 8.230 nan 0.000 0.447 120 K N -0.457 120.013 120.400 0.117 0.000 2.365 120 K HA -0.138 4.197 4.320 0.025 0.000 0.199 120 K C 1.677 178.311 176.600 0.056 0.000 1.045 120 K CA 0.882 57.222 56.287 0.089 0.000 0.962 120 K CB -0.079 32.452 32.500 0.052 0.000 0.759 120 K HN 0.240 nan 8.250 nan 0.000 0.469 121 E N 0.098 120.306 120.200 0.013 0.000 2.393 121 E HA -0.178 4.187 4.350 0.025 0.000 0.201 121 E C 0.424 176.895 176.600 -0.215 0.000 1.025 121 E CA 1.102 57.429 56.400 -0.121 0.000 0.856 121 E CB -0.045 29.512 29.700 -0.240 0.000 0.771 121 E HN 0.384 nan 8.360 nan 0.000 0.526 122 Y N 0.097 120.404 120.300 0.012 0.000 2.457 122 Y HA 0.204 4.769 4.550 0.025 0.000 0.263 122 Y C -0.046 175.865 175.900 0.018 0.000 1.164 122 Y CA -0.103 58.006 58.100 0.015 0.000 1.274 122 Y CB 0.394 38.864 38.460 0.017 0.000 1.097 122 Y HN -0.108 nan 8.280 nan 0.000 0.523 123 E N 3.277 123.542 120.200 0.108 0.000 2.180 123 E HA 0.135 4.500 4.350 0.025 0.000 0.283 123 E C -2.350 174.272 176.600 0.036 0.000 1.061 123 E CA -2.104 54.340 56.400 0.074 0.000 0.861 123 E CB 0.389 30.125 29.700 0.061 0.000 1.056 123 E HN 0.052 nan 8.360 nan 0.000 0.407 124 P HA -0.059 nan 4.420 nan 0.000 0.272 124 P C 0.224 177.532 177.300 0.013 0.000 1.223 124 P CA 0.011 63.120 63.100 0.016 0.000 0.784 124 P CB 0.825 32.536 31.700 0.019 0.000 0.923 125 E N 1.582 121.783 120.200 0.003 0.000 2.107 125 E HA -0.051 4.314 4.350 0.025 0.000 0.191 125 E C 0.238 176.841 176.600 0.005 0.000 0.982 125 E CA 0.945 57.348 56.400 0.005 0.000 0.809 125 E CB -0.140 29.559 29.700 -0.001 0.000 0.756 125 E HN 0.208 nan 8.360 nan 0.000 0.459 126 M N 1.031 120.631 119.600 0.001 0.000 2.472 126 M HA 0.580 5.075 4.480 0.025 0.000 0.331 126 M C 0.216 176.514 176.300 -0.005 0.000 1.170 126 M CA -0.759 54.538 55.300 -0.004 0.000 1.009 126 M CB 1.480 34.074 32.600 -0.010 0.000 1.672 126 M HN 0.180 nan 8.290 nan 0.000 0.453 127 G N 1.407 110.200 108.800 -0.012 0.000 2.798 127 G HA2 0.759 4.734 3.960 0.025 0.000 0.286 127 G HA3 0.759 4.734 3.960 0.025 0.000 0.286 127 G C -1.416 173.460 174.900 -0.040 0.000 1.389 127 G CA -0.744 44.345 45.100 -0.019 0.000 0.894 127 G HN 0.548 nan 8.290 nan 0.000 0.488 128 K N -0.093 120.276 120.400 -0.052 0.000 2.376 128 K HA 0.606 4.941 4.320 0.025 0.000 0.257 128 K C -0.542 175.982 176.600 -0.127 0.000 0.939 128 K CA -0.692 55.535 56.287 -0.100 0.000 0.809 128 K CB 2.381 34.824 32.500 -0.095 0.000 1.121 128 K HN 0.521 nan 8.250 nan 0.000 0.425 129 V N -0.419 119.378 119.914 -0.195 0.000 3.001 129 V HA 0.575 4.710 4.120 0.025 0.000 0.314 129 V C -1.252 174.617 176.094 -0.376 0.000 1.099 129 V CA -1.025 61.168 62.300 -0.180 0.000 0.989 129 V CB 1.064 32.835 31.823 -0.087 0.000 1.040 129 V HN 0.569 nan 8.190 nan 0.000 0.434 130 Y N 1.458 121.743 120.300 -0.025 0.000 2.360 130 Y HA 0.838 5.403 4.550 0.025 0.000 0.337 130 Y C 0.581 176.464 175.900 -0.029 0.000 1.039 130 Y CA -0.499 57.588 58.100 -0.021 0.000 1.109 130 Y CB 1.897 40.347 38.460 -0.016 0.000 1.201 130 Y HN 0.618 nan 8.280 nan 0.000 0.458 131 R N 0.529 121.075 120.500 0.077 0.000 2.808 131 R HA 0.621 4.976 4.340 0.025 0.000 0.272 131 R C 0.407 176.730 176.300 0.037 0.000 0.995 131 R CA -0.724 55.396 56.100 0.035 0.000 0.917 131 R CB 1.642 31.937 30.300 -0.009 0.000 1.217 131 R HN 0.751 nan 8.270 nan 0.000 0.471 132 A N 0.987 123.818 122.820 0.019 0.000 2.024 132 A HA -0.213 4.122 4.320 0.025 0.000 0.220 132 A C 1.247 178.842 177.584 0.018 0.000 1.164 132 A CA 2.131 54.179 52.037 0.019 0.000 0.643 132 A CB -0.486 18.519 19.000 0.008 0.000 0.806 132 A HN 0.831 nan 8.150 nan 0.000 0.451 133 D N -1.106 119.301 120.400 0.011 0.000 2.339 133 D HA 0.032 4.687 4.640 0.025 0.000 0.217 133 D C 0.554 176.860 176.300 0.010 0.000 1.050 133 D CA 0.114 54.118 54.000 0.008 0.000 0.856 133 D CB -0.030 40.770 40.800 0.001 0.000 0.922 133 D HN 0.506 nan 8.370 nan 0.000 0.518 134 R N -0.434 120.077 120.500 0.017 0.000 2.698 134 R HA 0.336 4.691 4.340 0.025 0.000 0.275 134 R C 0.377 176.709 176.300 0.053 0.000 1.001 134 R CA -0.787 55.326 56.100 0.022 0.000 0.896 134 R CB 1.815 32.118 30.300 0.004 0.000 1.218 134 R HN -0.171 nan 8.270 nan 0.000 0.462 135 K N 0.849 121.283 120.400 0.057 0.000 2.137 135 K HA 0.035 4.370 4.320 0.025 0.000 0.202 135 K C 0.396 177.086 176.600 0.150 0.000 1.052 135 K CA 0.952 57.293 56.287 0.090 0.000 0.961 135 K CB 0.268 32.804 32.500 0.060 0.000 0.741 135 K HN 0.623 nan 8.250 nan 0.000 0.452 136 S N 0.278 116.031 115.700 0.087 0.000 2.616 136 S HA 0.198 4.683 4.470 0.025 0.000 0.277 136 S C 0.029 174.583 174.600 -0.077 0.000 1.234 136 S CA -1.079 57.169 58.200 0.079 0.000 1.028 136 S CB 1.750 64.973 63.200 0.038 0.000 0.988 136 S HN 0.035 nan 8.310 nan 0.000 0.522 137 V N 2.305 122.065 119.914 -0.257 0.000 2.681 137 V HA 0.027 4.162 4.120 0.025 0.000 0.306 137 V C -0.141 175.757 176.094 -0.327 0.000 1.077 137 V CA 0.773 62.660 62.300 -0.689 0.000 1.224 137 V CB -0.121 31.317 31.823 -0.641 0.000 0.879 137 V HN 0.950 nan 8.190 nan 0.000 0.494 138 Q N 5.976 125.588 119.800 -0.313 0.000 2.266 138 Q HA 0.598 4.953 4.340 0.025 0.000 0.261 138 Q C -0.722 175.192 176.000 -0.143 0.000 0.985 138 Q CA -0.679 55.023 55.803 -0.168 0.000 0.873 138 Q CB 2.008 30.670 28.738 -0.127 0.000 1.306 138 Q HN 0.689 nan 8.270 nan 0.000 0.447 139 R N 2.150 122.596 120.500 -0.091 0.000 2.477 139 R HA 0.343 4.698 4.340 0.025 0.000 0.285 139 R C -0.340 175.933 176.300 -0.045 0.000 1.415 139 R CA -0.183 55.876 56.100 -0.068 0.000 1.446 139 R CB 0.111 30.378 30.300 -0.054 0.000 1.110 139 R HN 0.586 nan 8.270 nan 0.000 0.590 140 I N -2.182 118.362 120.570 -0.043 0.000 2.918 140 I HA 0.482 4.667 4.170 0.025 0.000 0.316 140 I C 0.013 176.124 176.117 -0.011 0.000 1.001 140 I CA -1.306 59.980 61.300 -0.024 0.000 1.142 140 I CB 0.856 38.842 38.000 -0.024 0.000 1.356 140 I HN -0.092 nan 8.210 nan 0.000 0.524 141 K N 2.798 123.200 120.400 0.003 0.000 2.484 141 K HA 0.102 4.437 4.320 0.025 0.000 0.280 141 K C 0.853 177.466 176.600 0.022 0.000 1.013 141 K CA 0.574 56.870 56.287 0.014 0.000 1.029 141 K CB 0.811 33.328 32.500 0.028 0.000 0.902 141 K HN 0.806 nan 8.250 nan 0.000 0.481 142 A N 4.543 127.375 122.820 0.021 0.000 1.940 142 A HA -0.225 4.110 4.320 0.025 0.000 0.219 142 A C 1.797 179.407 177.584 0.043 0.000 1.176 142 A CA 1.869 53.920 52.037 0.024 0.000 0.631 142 A CB -0.351 18.664 19.000 0.024 0.000 0.814 142 A HN 0.794 nan 8.150 nan 0.000 0.446 143 R N -0.973 119.566 120.500 0.065 0.000 2.328 143 R HA -0.041 4.314 4.340 0.025 0.000 0.207 143 R C 0.014 176.413 176.300 0.165 0.000 1.056 143 R CA 1.472 57.640 56.100 0.113 0.000 1.016 143 R CB -0.293 30.073 30.300 0.110 0.000 0.872 143 R HN 0.261 nan 8.270 nan 0.000 0.471 144 D N 0.780 121.241 120.400 0.102 0.000 2.379 144 D HA 0.185 4.840 4.640 0.025 0.000 0.208 144 D C 0.485 176.788 176.300 0.004 0.000 1.065 144 D CA -0.065 53.978 54.000 0.072 0.000 0.848 144 D CB 0.283 41.125 40.800 0.071 0.000 0.949 144 D HN 0.212 nan 8.370 nan 0.000 0.509 145 I N 2.086 122.657 120.570 0.000 0.000 2.752 145 I HA -0.049 4.136 4.170 0.025 0.000 0.289 145 I C 0.607 176.701 176.117 -0.039 0.000 1.197 145 I CA 0.087 61.371 61.300 -0.026 0.000 1.432 145 I CB 0.449 38.435 38.000 -0.023 0.000 1.359 145 I HN -0.223 nan 8.210 nan 0.000 0.571 146 V N 4.444 124.323 119.914 -0.058 0.000 3.001 146 V HA 0.628 4.763 4.120 0.025 0.000 0.314 146 V C -2.734 173.260 176.094 -0.166 0.000 1.099 146 V CA -2.752 59.515 62.300 -0.055 0.000 0.989 146 V CB 1.522 33.373 31.823 0.048 0.000 1.040 146 V HN 0.439 nan 8.190 nan 0.000 0.434 147 P HA 0.385 nan 4.420 nan 0.000 0.268 147 P C 0.989 177.807 177.300 -0.804 0.000 1.205 147 P CA 1.808 64.582 63.100 -0.543 0.000 0.771 147 P CB 0.970 32.237 31.700 -0.721 0.000 0.858 148 G N 1.771 109.737 108.800 -1.391 0.000 2.299 148 G HA2 -0.216 3.759 3.960 0.025 0.000 0.237 148 G HA3 -0.216 3.759 3.960 0.025 0.000 0.237 148 G C 0.106 174.758 174.900 -0.414 0.000 1.027 148 G CA -0.193 44.203 45.100 -1.173 0.000 0.619 148 G HN 0.525 nan 8.290 nan 0.000 0.513 149 D N 1.108 121.336 120.400 -0.286 0.000 2.571 149 D HA 0.210 4.865 4.640 0.025 0.000 0.231 149 D C 0.612 176.860 176.300 -0.087 0.000 1.133 149 D CA 0.362 54.275 54.000 -0.145 0.000 0.862 149 D CB 0.487 41.224 40.800 -0.105 0.000 1.179 149 D HN 0.131 nan 8.370 nan 0.000 0.474 150 I N 3.071 123.634 120.570 -0.012 0.000 2.352 150 I HA 0.070 4.255 4.170 0.025 0.000 0.290 150 I C 0.265 176.440 176.117 0.097 0.000 1.036 150 I CA -0.495 60.838 61.300 0.056 0.000 1.336 150 I CB 0.847 38.913 38.000 0.110 0.000 1.407 150 I HN 0.030 nan 8.210 nan 0.000 0.497 151 V N 3.713 123.674 119.914 0.078 0.000 2.823 151 V HA 0.694 4.829 4.120 0.025 0.000 0.312 151 V C -0.474 175.682 176.094 0.103 0.000 1.072 151 V CA -0.898 61.441 62.300 0.065 0.000 0.937 151 V CB 2.007 33.836 31.823 0.010 0.000 1.013 151 V HN 0.736 nan 8.190 nan 0.000 0.430 152 E N 1.765 122.023 120.200 0.096 0.000 2.238 152 E HA 0.761 5.126 4.350 0.025 0.000 0.267 152 E C -1.450 175.179 176.600 0.049 0.000 0.887 152 E CA -0.749 55.719 56.400 0.113 0.000 0.769 152 E CB 2.492 32.324 29.700 0.219 0.000 1.187 152 E HN 1.012 nan 8.360 nan 0.000 0.416 153 V N -0.182 119.758 119.914 0.043 0.000 3.007 153 V HA 1.030 5.165 4.120 0.025 0.000 0.311 153 V C -0.908 175.205 176.094 0.032 0.000 1.120 153 V CA -0.373 61.944 62.300 0.027 0.000 0.980 153 V CB 1.191 33.025 31.823 0.017 0.000 1.033 153 V HN 0.864 nan 8.190 nan 0.000 0.429 154 A N 1.714 124.551 122.820 0.028 0.000 2.588 154 A HA 0.838 5.173 4.320 0.025 0.000 0.290 154 A C -0.421 177.180 177.584 0.027 0.000 1.136 154 A CA -0.390 51.666 52.037 0.031 0.000 0.681 154 A CB 1.272 20.292 19.000 0.034 0.000 1.282 154 A HN 1.981 nan 8.150 nan 0.000 0.421 155 V N 0.947 120.878 119.914 0.030 0.000 2.814 155 V HA 0.236 4.371 4.120 0.025 0.000 0.298 155 V C 1.767 177.875 176.094 0.023 0.000 1.195 155 V CA 1.917 64.234 62.300 0.027 0.000 1.323 155 V CB -0.666 31.174 31.823 0.028 0.000 0.842 155 V HN 2.570 nan 8.190 nan 0.000 0.494 156 G N 2.994 111.808 108.800 0.023 0.000 2.166 156 G HA2 -0.230 3.744 3.960 0.025 0.000 0.260 156 G HA3 -0.230 3.744 3.960 0.025 0.000 0.260 156 G C -0.071 174.842 174.900 0.021 0.000 0.986 156 G CA 0.304 45.417 45.100 0.021 0.000 0.683 156 G HN 0.808 nan 8.290 nan 0.000 0.527 157 D N 0.185 120.599 120.400 0.022 0.000 2.341 157 D HA 0.416 5.071 4.640 0.025 0.000 0.245 157 D C 0.739 177.058 176.300 0.032 0.000 1.106 157 D CA 0.046 54.059 54.000 0.022 0.000 0.905 157 D CB 0.785 41.596 40.800 0.019 0.000 1.202 157 D HN 0.218 nan 8.370 nan 0.000 0.426 158 K N 0.668 121.088 120.400 0.033 0.000 2.297 158 K HA 0.236 4.571 4.320 0.025 0.000 0.286 158 K C -0.668 175.960 176.600 0.046 0.000 1.053 158 K CA -0.480 55.837 56.287 0.051 0.000 0.940 158 K CB 0.823 33.353 32.500 0.050 0.000 1.019 158 K HN 0.124 nan 8.250 nan 0.000 0.475 159 V N 7.416 127.363 119.914 0.055 0.000 2.479 159 V HA 0.041 4.176 4.120 0.025 0.000 0.281 159 V C -1.246 174.873 176.094 0.041 0.000 1.031 159 V CA -0.925 61.398 62.300 0.037 0.000 1.038 159 V CB 1.069 32.912 31.823 0.034 0.000 0.981 159 V HN 0.863 nan 8.190 nan 0.000 0.478 160 P HA 0.183 nan 4.420 nan 0.000 0.235 160 P C 0.177 177.492 177.300 0.025 0.000 1.177 160 P CA 0.740 63.856 63.100 0.026 0.000 0.785 160 P CB 0.857 32.563 31.700 0.011 0.000 0.885 161 A N -0.559 122.269 122.820 0.014 0.000 2.515 161 A HA 0.528 4.863 4.320 0.025 0.000 0.299 161 A C -1.668 175.918 177.584 0.003 0.000 1.179 161 A CA -0.556 51.488 52.037 0.011 0.000 0.656 161 A CB 0.254 19.246 19.000 -0.014 0.000 1.306 161 A HN -0.233 nan 8.150 nan 0.000 0.459 162 D N 0.772 121.177 120.400 0.008 0.000 2.313 162 D HA 0.600 5.255 4.640 0.025 0.000 0.239 162 D C -0.862 175.403 176.300 -0.059 0.000 1.142 162 D CA 0.724 54.719 54.000 -0.009 0.000 0.847 162 D CB 0.738 41.584 40.800 0.076 0.000 1.082 162 D HN 0.391 nan 8.370 nan 0.000 0.480 163 I N 1.859 122.356 120.570 -0.121 0.000 2.533 163 I HA 0.262 4.446 4.170 0.025 0.000 0.290 163 I C -0.061 175.981 176.117 -0.126 0.000 1.056 163 I CA -1.089 60.151 61.300 -0.100 0.000 1.057 163 I CB 2.037 39.985 38.000 -0.087 0.000 1.240 163 I HN -0.009 nan 8.210 nan 0.000 0.423 164 R N 6.643 127.106 120.500 -0.063 0.000 2.267 164 R HA 0.450 4.805 4.340 0.025 0.000 0.319 164 R C -0.959 175.320 176.300 -0.034 0.000 1.067 164 R CA -0.035 56.038 56.100 -0.045 0.000 0.936 164 R CB 0.227 30.529 30.300 0.003 0.000 1.006 164 R HN 0.508 nan 8.270 nan 0.000 0.452 165 I N 6.399 126.939 120.570 -0.049 0.000 2.556 165 I HA -0.041 4.144 4.170 0.025 0.000 0.284 165 I C 0.967 177.084 176.117 0.001 0.000 1.114 165 I CA 0.109 61.391 61.300 -0.031 0.000 1.418 165 I CB 0.800 38.773 38.000 -0.046 0.000 1.394 165 I HN 0.651 nan 8.210 nan 0.000 0.552 166 L N 4.368 125.596 121.223 0.008 0.000 2.349 166 L HA 0.173 4.528 4.340 0.025 0.000 0.200 166 L C 0.593 177.472 176.870 0.015 0.000 1.064 166 L CA 0.476 55.325 54.840 0.015 0.000 0.821 166 L CB 0.162 42.227 42.059 0.010 0.000 1.027 166 L HN 0.764 nan 8.230 nan 0.000 0.476 167 S N -0.883 114.823 115.700 0.010 0.000 2.537 167 S HA 0.553 5.038 4.470 0.025 0.000 0.270 167 S C -0.972 173.638 174.600 0.018 0.000 1.142 167 S CA -0.747 57.461 58.200 0.013 0.000 0.870 167 S CB 1.965 65.166 63.200 0.002 0.000 1.112 167 S HN 0.053 nan 8.310 nan 0.000 0.466 168 I N 3.105 123.692 120.570 0.027 0.000 2.336 168 I HA 0.372 4.557 4.170 0.025 0.000 0.292 168 I C 0.934 177.069 176.117 0.030 0.000 0.991 168 I CA -0.864 60.456 61.300 0.034 0.000 1.227 168 I CB 1.631 39.660 38.000 0.049 0.000 1.366 168 I HN 0.692 nan 8.210 nan 0.000 0.466 169 K N 3.251 123.670 120.400 0.031 0.000 2.067 169 K HA 0.042 4.377 4.320 0.025 0.000 0.203 169 K C 1.128 177.750 176.600 0.036 0.000 1.048 169 K CA 0.684 56.988 56.287 0.028 0.000 0.954 169 K CB -0.221 32.296 32.500 0.029 0.000 0.737 169 K HN 0.729 nan 8.250 nan 0.000 0.444 170 S N 0.415 116.145 115.700 0.049 0.000 2.633 170 S HA 0.071 4.555 4.470 0.025 0.000 0.257 170 S C 1.307 175.950 174.600 0.071 0.000 1.265 170 S CA -0.135 58.103 58.200 0.064 0.000 0.980 170 S CB 0.566 63.810 63.200 0.073 0.000 1.017 170 S HN 0.149 nan 8.310 nan 0.000 0.577 171 T N 0.787 115.398 114.554 0.095 0.000 2.985 171 T HA 0.166 4.530 4.350 0.025 0.000 0.266 171 T C 0.807 175.591 174.700 0.141 0.000 1.076 171 T CA 1.193 63.355 62.100 0.104 0.000 1.135 171 T CB -0.510 68.447 68.868 0.149 0.000 0.890 171 T HN 1.005 nan 8.240 nan 0.000 0.480 172 T N -0.465 114.178 114.554 0.147 0.000 2.923 172 T HA 0.626 4.991 4.350 0.025 0.000 0.311 172 T C -1.625 173.134 174.700 0.098 0.000 1.183 172 T CA -1.025 61.164 62.100 0.148 0.000 1.020 172 T CB 1.818 70.816 68.868 0.216 0.000 1.165 172 T HN -0.049 nan 8.240 nan 0.000 0.482 173 L N 2.245 123.514 121.223 0.077 0.000 2.280 173 L HA 0.623 4.978 4.340 0.025 0.000 0.287 173 L C -0.207 176.681 176.870 0.030 0.000 1.023 173 L CA -0.505 54.363 54.840 0.047 0.000 0.819 173 L CB 0.849 42.928 42.059 0.034 0.000 1.212 173 L HN 0.688 nan 8.230 nan 0.000 0.420 174 R N 4.664 125.176 120.500 0.020 0.000 2.295 174 R HA 0.675 5.030 4.340 0.025 0.000 0.324 174 R C -1.309 174.996 176.300 0.009 0.000 0.968 174 R CA -0.838 55.263 56.100 0.001 0.000 0.837 174 R CB 1.768 32.060 30.300 -0.014 0.000 1.133 174 R HN 0.402 nan 8.270 nan 0.000 0.450 175 V N 1.916 121.836 119.914 0.010 0.000 2.495 175 V HA 0.126 4.261 4.120 0.025 0.000 0.298 175 V C -0.276 175.836 176.094 0.031 0.000 1.031 175 V CA -0.910 61.404 62.300 0.024 0.000 0.871 175 V CB 1.930 33.770 31.823 0.028 0.000 0.988 175 V HN 0.625 nan 8.190 nan 0.000 0.432 176 D N 3.807 124.231 120.400 0.039 0.000 2.365 176 D HA 0.225 4.880 4.640 0.025 0.000 0.237 176 D C 0.428 176.761 176.300 0.055 0.000 1.190 176 D CA -0.026 54.000 54.000 0.043 0.000 0.867 176 D CB 1.133 41.961 40.800 0.045 0.000 1.050 176 D HN 0.616 nan 8.370 nan 0.000 0.491 177 Q N 2.037 121.866 119.800 0.049 0.000 2.186 177 Q HA 0.045 4.400 4.340 0.025 0.000 0.241 177 Q C 1.425 177.429 176.000 0.007 0.000 0.849 177 Q CA -0.158 55.676 55.803 0.051 0.000 1.053 177 Q CB 0.445 29.230 28.738 0.077 0.000 1.146 177 Q HN 0.541 nan 8.270 nan 0.000 0.475 178 S N 0.677 116.382 115.700 0.009 0.000 2.465 178 S HA -0.168 4.317 4.470 0.025 0.000 0.241 178 S C 1.863 176.427 174.600 -0.059 0.000 1.000 178 S CA 1.030 59.224 58.200 -0.011 0.000 0.964 178 S CB -0.686 62.522 63.200 0.013 0.000 0.763 178 S HN 0.643 nan 8.310 nan 0.000 0.512 179 I N -2.336 118.173 120.570 -0.102 0.000 3.111 179 I HA 0.200 4.385 4.170 0.025 0.000 0.272 179 I C 1.653 177.673 176.117 -0.162 0.000 1.268 179 I CA 0.844 62.023 61.300 -0.203 0.000 1.467 179 I CB -0.256 37.515 38.000 -0.382 0.000 1.087 179 I HN 0.240 nan 8.210 nan 0.000 0.467 180 L N 0.597 121.744 121.223 -0.127 0.000 2.781 180 L HA 0.202 4.557 4.340 0.025 0.000 0.245 180 L C 1.888 178.696 176.870 -0.104 0.000 1.118 180 L CA 0.847 55.599 54.840 -0.146 0.000 0.918 180 L CB 0.212 42.136 42.059 -0.224 0.000 1.246 180 L HN 0.413 nan 8.230 nan 0.000 0.526 181 T N -5.565 108.948 114.554 -0.068 0.000 2.969 181 T HA 0.278 4.643 4.350 0.025 0.000 0.258 181 T C 1.448 176.134 174.700 -0.023 0.000 0.962 181 T CA 0.679 62.756 62.100 -0.039 0.000 0.903 181 T CB 1.169 70.024 68.868 -0.022 0.000 1.177 181 T HN 0.264 nan 8.240 nan 0.000 0.511 182 G N 1.402 110.186 108.800 -0.027 0.000 2.234 182 G HA2 -0.206 3.769 3.960 0.025 0.000 0.260 182 G HA3 -0.206 3.769 3.960 0.025 0.000 0.260 182 G C -0.161 174.740 174.900 0.001 0.000 0.987 182 G CA 0.226 45.319 45.100 -0.013 0.000 0.625 182 G HN 0.615 nan 8.290 nan 0.000 0.532 183 E N 0.441 120.643 120.200 0.003 0.000 2.175 183 E HA 0.560 4.925 4.350 0.025 0.000 0.278 183 E C 1.140 177.752 176.600 0.021 0.000 0.969 183 E CA 0.163 56.571 56.400 0.013 0.000 0.796 183 E CB 1.488 31.195 29.700 0.012 0.000 1.104 183 E HN 0.386 nan 8.360 nan 0.000 0.395 184 S N 0.984 116.702 115.700 0.031 0.000 2.524 184 S HA 0.012 4.497 4.470 0.025 0.000 0.216 184 S C 1.129 175.746 174.600 0.029 0.000 0.987 184 S CA -0.350 57.871 58.200 0.036 0.000 0.909 184 S CB 0.094 63.323 63.200 0.048 0.000 0.781 184 S HN 0.309 nan 8.310 nan 0.000 0.521 185 V N 3.197 123.125 119.914 0.025 0.000 2.902 185 V HA 0.018 4.153 4.120 0.025 0.000 0.297 185 V C 0.252 176.348 176.094 0.003 0.000 1.230 185 V CA 0.458 62.766 62.300 0.012 0.000 1.344 185 V CB 0.390 32.219 31.823 0.010 0.000 0.889 185 V HN 0.573 nan 8.190 nan 0.000 0.515 186 S N 5.078 120.769 115.700 -0.015 0.000 2.549 186 S HA 0.348 4.833 4.470 0.025 0.000 0.279 186 S C -0.288 174.294 174.600 -0.029 0.000 1.321 186 S CA -0.521 57.665 58.200 -0.023 0.000 1.054 186 S CB 1.213 64.382 63.200 -0.052 0.000 0.899 186 S HN 0.684 nan 8.310 nan 0.000 0.497 187 V N 4.857 124.766 119.914 -0.008 0.000 2.481 187 V HA 0.322 4.457 4.120 0.025 0.000 0.286 187 V C -0.121 175.968 176.094 -0.009 0.000 1.042 187 V CA -0.775 61.525 62.300 -0.001 0.000 0.928 187 V CB 1.318 33.158 31.823 0.028 0.000 0.986 187 V HN 0.658 nan 8.190 nan 0.000 0.462 188 I N 5.731 126.298 120.570 -0.005 0.000 2.291 188 I HA 0.326 4.511 4.170 0.025 0.000 0.292 188 I C 0.593 176.736 176.117 0.043 0.000 1.064 188 I CA -0.707 60.603 61.300 0.016 0.000 1.269 188 I CB 0.570 38.588 38.000 0.031 0.000 1.418 188 I HN 0.540 nan 8.210 nan 0.000 0.485 189 K N 5.677 126.089 120.400 0.020 0.000 2.180 189 K HA 0.341 4.676 4.320 0.025 0.000 0.251 189 K C 0.020 176.653 176.600 0.056 0.000 1.014 189 K CA -0.283 55.987 56.287 -0.028 0.000 0.913 189 K CB 0.813 33.281 32.500 -0.054 0.000 1.008 189 K HN 0.738 nan 8.250 nan 0.000 0.490 190 H N -3.666 115.427 119.070 0.040 0.000 2.942 190 H HA 0.306 4.877 4.556 0.025 0.000 0.316 190 H C 0.114 175.458 175.328 0.028 0.000 1.323 190 H CA -0.614 55.458 56.048 0.040 0.000 1.144 190 H CB 0.734 30.526 29.762 0.049 0.000 1.866 190 H HN 0.501 nan 8.280 nan 0.000 0.545 191 T N -2.887 111.902 114.554 0.391 0.000 3.054 191 T HA 0.260 4.625 4.350 0.025 0.000 0.255 191 T C -0.031 174.827 174.700 0.263 0.000 1.035 191 T CA -0.244 62.001 62.100 0.241 0.000 0.941 191 T CB -0.343 68.592 68.868 0.111 0.000 1.026 191 T HN 0.567 nan 8.240 nan 0.000 0.533 192 E N 2.664 123.075 120.200 0.351 0.000 2.410 192 E HA 0.326 4.691 4.350 0.025 0.000 0.255 192 E C -2.539 174.194 176.600 0.222 0.000 1.194 192 E CA -1.663 54.828 56.400 0.152 0.000 0.955 192 E CB 0.028 29.685 29.700 -0.073 0.000 0.988 192 E HN 0.259 nan 8.360 nan 0.000 0.461 193 P HA 0.041 nan 4.420 nan 0.000 0.272 193 P C -0.996 176.400 177.300 0.160 0.000 1.230 193 P CA -0.108 63.056 63.100 0.107 0.000 0.788 193 P CB 0.557 32.286 31.700 0.048 0.000 0.949 194 V N 4.123 124.138 119.914 0.169 0.000 2.327 194 V HA 0.164 4.298 4.120 0.025 0.000 0.272 194 V C -1.607 174.596 176.094 0.181 0.000 1.019 194 V CA -1.241 61.184 62.300 0.208 0.000 0.814 194 V CB 1.304 33.296 31.823 0.281 0.000 1.040 194 V HN 0.534 nan 8.190 nan 0.000 0.440 195 P HA -0.107 nan 4.420 nan 0.000 0.218 195 P C 0.536 177.886 177.300 0.084 0.000 1.148 195 P CA 0.820 63.953 63.100 0.055 0.000 0.822 195 P CB 0.130 31.857 31.700 0.044 0.000 0.784 196 D N 0.383 120.864 120.400 0.134 0.000 2.389 196 D HA -0.027 4.628 4.640 0.025 0.000 0.263 196 D C -1.553 174.891 176.300 0.240 0.000 1.255 196 D CA -1.679 52.407 54.000 0.143 0.000 0.914 196 D CB 0.398 41.274 40.800 0.126 0.000 1.116 196 D HN 0.076 nan 8.370 nan 0.000 0.502 197 P HA -0.012 nan 4.420 nan 0.000 0.226 197 P C 0.807 178.245 177.300 0.230 0.000 1.153 197 P CA 0.701 63.927 63.100 0.210 0.000 0.777 197 P CB 0.284 32.037 31.700 0.089 0.000 0.794 198 R N -0.807 119.790 120.500 0.161 0.000 2.362 198 R HA 0.371 4.726 4.340 0.025 0.000 0.227 198 R C 0.451 176.802 176.300 0.085 0.000 0.905 198 R CA -0.305 55.863 56.100 0.114 0.000 1.067 198 R CB -0.061 30.296 30.300 0.094 0.000 1.078 198 R HN 0.045 nan 8.270 nan 0.000 0.516 199 A N 0.947 123.814 122.820 0.078 0.000 2.616 199 A HA -0.029 4.306 4.320 0.025 0.000 0.234 199 A C 0.370 177.926 177.584 -0.047 0.000 1.024 199 A CA 0.399 52.440 52.037 0.007 0.000 0.758 199 A CB 0.194 19.176 19.000 -0.030 0.000 0.939 199 A HN 0.099 nan 8.150 nan 0.000 0.510 200 V N 2.997 122.913 119.914 0.003 0.000 2.997 200 V HA 0.100 4.235 4.120 0.025 0.000 0.311 200 V C 1.433 177.500 176.094 -0.045 0.000 1.066 200 V CA -0.420 61.886 62.300 0.009 0.000 1.039 200 V CB 1.228 33.099 31.823 0.081 0.000 1.081 200 V HN 1.082 nan 8.190 nan 0.000 0.467 201 N N 1.994 120.625 118.700 -0.115 0.000 2.073 201 N HA -0.279 4.476 4.740 0.025 0.000 0.199 201 N C 1.508 177.008 175.510 -0.016 0.000 1.023 201 N CA 1.999 54.933 53.050 -0.194 0.000 0.880 201 N CB -0.347 37.864 38.487 -0.459 0.000 1.052 201 N HN 0.676 nan 8.380 nan 0.000 0.449 202 Q N 0.469 120.262 119.800 -0.012 0.000 2.248 202 Q HA -0.094 4.261 4.340 0.025 0.000 0.208 202 Q C 1.058 177.089 176.000 0.053 0.000 0.984 202 Q CA 1.196 57.017 55.803 0.028 0.000 0.875 202 Q CB -0.027 28.726 28.738 0.025 0.000 0.910 202 Q HN 0.438 nan 8.270 nan 0.000 0.433 203 D N -0.308 120.120 120.400 0.046 0.000 2.327 203 D HA -0.011 4.644 4.640 0.025 0.000 0.205 203 D C -0.067 176.271 176.300 0.064 0.000 0.989 203 D CA 0.414 54.449 54.000 0.059 0.000 0.873 203 D CB 0.158 40.988 40.800 0.050 0.000 0.955 203 D HN 0.143 nan 8.370 nan 0.000 0.515 204 K N 1.362 121.804 120.400 0.069 0.000 2.278 204 K HA 0.114 4.449 4.320 0.025 0.000 0.237 204 K C 0.947 177.561 176.600 0.024 0.000 1.229 204 K CA 0.022 56.353 56.287 0.074 0.000 1.155 204 K CB 0.438 33.032 32.500 0.157 0.000 1.590 204 K HN -0.137 nan 8.250 nan 0.000 0.290 205 K N 0.998 121.358 120.400 -0.067 0.000 2.459 205 K HA -0.055 4.280 4.320 0.025 0.000 0.193 205 K C 0.972 177.290 176.600 -0.470 0.000 1.030 205 K CA 0.591 56.754 56.287 -0.206 0.000 1.026 205 K CB 0.199 32.621 32.500 -0.130 0.000 0.809 205 K HN 0.397 nan 8.250 nan 0.000 0.504 206 N N -0.393 118.082 118.700 -0.374 0.000 2.203 206 N HA 0.022 4.777 4.740 0.025 0.000 0.207 206 N C -0.205 175.204 175.510 -0.168 0.000 1.130 206 N CA 0.077 52.958 53.050 -0.283 0.000 0.861 206 N CB 0.404 38.829 38.487 -0.104 0.000 1.005 206 N HN -0.080 nan 8.380 nan 0.000 0.507 207 M N 0.667 120.127 119.600 -0.232 0.000 2.664 207 M HA 0.480 4.975 4.480 0.025 0.000 0.314 207 M C -0.651 175.307 176.300 -0.570 0.000 1.200 207 M CA -0.611 54.447 55.300 -0.403 0.000 0.916 207 M CB 2.237 34.477 32.600 -0.600 0.000 1.717 207 M HN -0.122 nan 8.290 nan 0.000 0.470 208 L N 1.453 122.339 121.223 -0.562 0.000 2.346 208 L HA 0.614 4.969 4.340 0.025 0.000 0.276 208 L C -1.337 175.184 176.870 -0.582 0.000 1.006 208 L CA -0.459 54.120 54.840 -0.436 0.000 0.817 208 L CB 1.635 43.583 42.059 -0.184 0.000 1.272 208 L HN 0.506 nan 8.230 nan 0.000 0.421 209 F N 0.242 120.187 119.950 -0.007 0.000 2.480 209 F HA 0.338 4.880 4.527 0.025 0.000 0.329 209 F C 0.796 176.596 175.800 0.000 0.000 1.091 209 F CA -0.639 57.356 58.000 -0.008 0.000 0.972 209 F CB 2.026 41.015 39.000 -0.019 0.000 1.150 209 F HN 0.333 nan 8.300 nan 0.000 0.467 210 S N 1.416 117.223 115.700 0.177 0.000 2.552 210 S HA 0.367 4.852 4.470 0.025 0.000 0.289 210 S C 1.078 175.748 174.600 0.117 0.000 1.304 210 S CA 0.955 59.222 58.200 0.112 0.000 1.063 210 S CB 0.109 63.364 63.200 0.093 0.000 0.848 210 S HN 1.195 nan 8.310 nan 0.000 0.499 211 G N 2.953 111.823 108.800 0.118 0.000 2.205 211 G HA2 -0.290 3.685 3.960 0.025 0.000 0.261 211 G HA3 -0.290 3.685 3.960 0.025 0.000 0.261 211 G C 0.375 175.365 174.900 0.149 0.000 0.980 211 G CA 0.741 45.936 45.100 0.158 0.000 0.632 211 G HN 1.283 nan 8.290 nan 0.000 0.533 212 T N -0.812 113.813 114.554 0.118 0.000 2.771 212 T HA 0.565 4.930 4.350 0.025 0.000 0.290 212 T C 0.085 174.846 174.700 0.102 0.000 1.005 212 T CA 0.342 62.507 62.100 0.109 0.000 0.944 212 T CB 1.422 70.361 68.868 0.119 0.000 1.147 212 T HN 1.273 nan 8.240 nan 0.000 0.534 213 N N -1.445 117.306 118.700 0.085 0.000 2.416 213 N HA 0.472 5.227 4.740 0.025 0.000 0.276 213 N C -1.406 174.134 175.510 0.049 0.000 1.261 213 N CA -1.108 51.982 53.050 0.067 0.000 0.790 213 N CB 1.090 39.620 38.487 0.071 0.000 1.554 213 N HN 0.467 nan 8.380 nan 0.000 0.481 214 I N 1.200 121.793 120.570 0.038 0.000 2.312 214 I HA 0.270 4.455 4.170 0.025 0.000 0.291 214 I C 0.885 177.019 176.117 0.029 0.000 1.031 214 I CA -0.326 60.991 61.300 0.030 0.000 1.293 214 I CB 0.413 38.429 38.000 0.026 0.000 1.403 214 I HN 0.985 nan 8.210 nan 0.000 0.484 215 A N 5.520 128.355 122.820 0.025 0.000 2.081 215 A HA 0.593 4.928 4.320 0.025 0.000 0.214 215 A C 0.942 178.540 177.584 0.022 0.000 1.158 215 A CA 0.682 52.732 52.037 0.022 0.000 0.724 215 A CB 0.224 19.233 19.000 0.016 0.000 0.826 215 A HN 0.772 nan 8.150 nan 0.000 0.463 216 A N -2.417 120.419 122.820 0.025 0.000 2.577 216 A HA 0.642 4.977 4.320 0.025 0.000 0.297 216 A C 0.273 177.882 177.584 0.040 0.000 1.060 216 A CA 0.172 52.230 52.037 0.034 0.000 0.697 216 A CB 0.029 19.051 19.000 0.038 0.000 1.281 216 A HN 2.105 nan 8.150 nan 0.000 0.402 217 G N 0.550 109.379 108.800 0.048 0.000 2.548 217 G HA2 0.271 4.246 3.960 0.025 0.000 0.208 217 G HA3 0.271 4.246 3.960 0.025 0.000 0.208 217 G C -0.610 174.317 174.900 0.045 0.000 1.308 217 G CA -0.073 45.059 45.100 0.053 0.000 0.924 217 G HN 1.193 nan 8.290 nan 0.000 0.540 218 K N -0.436 119.991 120.400 0.045 0.000 2.550 218 K HA 0.677 5.012 4.320 0.025 0.000 0.252 218 K C -0.713 175.911 176.600 0.040 0.000 0.943 218 K CA -0.021 56.292 56.287 0.043 0.000 0.806 218 K CB 1.634 34.161 32.500 0.046 0.000 1.289 218 K HN 1.873 nan 8.250 nan 0.000 0.435 219 A N 3.182 126.025 122.820 0.038 0.000 2.572 219 A HA 0.724 5.059 4.320 0.025 0.000 0.295 219 A C -2.121 175.486 177.584 0.038 0.000 1.072 219 A CA -0.693 51.362 52.037 0.031 0.000 0.691 219 A CB 1.574 20.585 19.000 0.018 0.000 1.291 219 A HN 0.489 nan 8.150 nan 0.000 0.404 220 L N 0.818 122.058 121.223 0.029 0.000 2.346 220 L HA 0.887 5.242 4.340 0.025 0.000 0.274 220 L C 0.426 177.307 176.870 0.018 0.000 1.007 220 L CA 0.504 55.366 54.840 0.037 0.000 0.818 220 L CB 1.906 43.968 42.059 0.006 0.000 1.284 220 L HN 1.153 nan 8.230 nan 0.000 0.424 221 G N 3.452 112.264 108.800 0.021 0.000 2.788 221 G HA2 0.489 4.464 3.960 0.025 0.000 0.293 221 G HA3 0.489 4.464 3.960 0.025 0.000 0.293 221 G C -1.802 173.101 174.900 0.006 0.000 1.392 221 G CA -0.617 44.486 45.100 0.005 0.000 0.810 221 G HN 0.664 nan 8.290 nan 0.000 0.508 222 I N 0.813 121.385 120.570 0.004 0.000 2.359 222 I HA 0.470 4.655 4.170 0.025 0.000 0.294 222 I C -0.038 176.048 176.117 -0.051 0.000 0.987 222 I CA -0.856 60.439 61.300 -0.009 0.000 1.225 222 I CB 1.557 39.590 38.000 0.056 0.000 1.366 222 I HN 0.202 nan 8.210 nan 0.000 0.466 223 V N 8.435 128.271 119.914 -0.130 0.000 2.585 223 V HA 0.093 4.228 4.120 0.025 0.000 0.296 223 V C 1.052 177.061 176.094 -0.141 0.000 1.035 223 V CA 0.720 62.935 62.300 -0.143 0.000 1.084 223 V CB 0.658 32.371 31.823 -0.183 0.000 0.953 223 V HN 0.991 nan 8.190 nan 0.000 0.483 224 A N 4.473 127.273 122.820 -0.034 0.000 1.887 224 A HA 0.317 4.652 4.320 0.025 0.000 0.210 224 A C 1.061 178.662 177.584 0.028 0.000 1.221 224 A CA 1.103 53.183 52.037 0.072 0.000 0.635 224 A CB 0.121 19.148 19.000 0.044 0.000 0.881 224 A HN 0.880 nan 8.150 nan 0.000 0.456 225 T N -3.175 111.367 114.554 -0.022 0.000 2.864 225 T HA 0.615 4.980 4.350 0.025 0.000 0.299 225 T C -0.417 174.260 174.700 -0.038 0.000 1.166 225 T CA 0.121 62.195 62.100 -0.043 0.000 1.007 225 T CB 1.634 70.511 68.868 0.014 0.000 1.219 225 T HN 0.755 nan 8.240 nan 0.000 0.506 226 T N -2.395 112.139 114.554 -0.033 0.000 2.654 226 T HA 0.802 5.167 4.350 0.025 0.000 0.289 226 T C 1.117 175.840 174.700 0.037 0.000 1.062 226 T CA -0.001 62.099 62.100 -0.001 0.000 1.041 226 T CB 0.938 69.796 68.868 -0.016 0.000 1.417 226 T HN 2.034 nan 8.240 nan 0.000 0.510 227 G N 0.191 109.021 108.800 0.051 0.000 2.672 227 G HA2 -0.320 3.655 3.960 0.025 0.000 0.324 227 G HA3 -0.320 3.655 3.960 0.025 0.000 0.324 227 G C 1.077 176.012 174.900 0.057 0.000 1.286 227 G CA 0.881 46.019 45.100 0.064 0.000 1.004 227 G HN 1.457 nan 8.290 nan 0.000 0.548 228 V N 1.234 121.184 119.914 0.060 0.000 3.041 228 V HA 0.043 4.178 4.120 0.025 0.000 0.260 228 V C 2.473 178.594 176.094 0.045 0.000 1.105 228 V CA 2.448 64.778 62.300 0.048 0.000 1.125 228 V CB 0.193 32.045 31.823 0.049 0.000 0.730 228 V HN 0.623 nan 8.190 nan 0.000 0.479 229 S N 0.090 115.823 115.700 0.054 0.000 2.754 229 S HA 0.047 4.532 4.470 0.025 0.000 0.223 229 S C 0.853 175.483 174.600 0.051 0.000 0.951 229 S CA 0.433 58.664 58.200 0.052 0.000 0.954 229 S CB -0.410 62.829 63.200 0.065 0.000 0.780 229 S HN 0.825 nan 8.310 nan 0.000 0.509 230 T N -1.004 113.580 114.554 0.050 0.000 2.923 230 T HA 0.389 4.754 4.350 0.025 0.000 0.281 230 T C 0.965 175.693 174.700 0.047 0.000 0.995 230 T CA -0.809 61.332 62.100 0.069 0.000 0.985 230 T CB 0.934 69.847 68.868 0.075 0.000 1.114 230 T HN -0.148 nan 8.240 nan 0.000 0.548 231 E N 0.070 120.305 120.200 0.059 0.000 2.118 231 E HA -0.111 4.254 4.350 0.025 0.000 0.195 231 E C 1.802 178.372 176.600 -0.050 0.000 0.992 231 E CA 0.960 57.333 56.400 -0.044 0.000 0.804 231 E CB -0.342 29.250 29.700 -0.179 0.000 0.741 231 E HN 0.709 nan 8.360 nan 0.000 0.458 232 I N 0.620 121.183 120.570 -0.011 0.000 2.493 232 I HA -0.127 4.058 4.170 0.025 0.000 0.254 232 I C 2.085 178.197 176.117 -0.009 0.000 1.160 232 I CA 1.078 62.365 61.300 -0.022 0.000 1.445 232 I CB -0.170 37.829 38.000 -0.002 0.000 1.086 232 I HN 0.043 nan 8.210 nan 0.000 0.433 233 G N 0.807 109.612 108.800 0.009 0.000 2.418 233 G HA2 -0.259 3.716 3.960 0.025 0.000 0.217 233 G HA3 -0.259 3.716 3.960 0.025 0.000 0.217 233 G C 1.682 176.578 174.900 -0.006 0.000 1.158 233 G CA 0.673 45.781 45.100 0.012 0.000 0.771 233 G HN 0.342 nan 8.290 nan 0.000 0.545 234 K N -0.035 120.352 120.400 -0.022 0.000 2.032 234 K HA 0.020 4.355 4.320 0.025 0.000 0.209 234 K C 2.407 178.980 176.600 -0.046 0.000 1.048 234 K CA 1.038 57.302 56.287 -0.039 0.000 0.927 234 K CB -0.278 32.186 32.500 -0.061 0.000 0.712 234 K HN 0.306 nan 8.250 nan 0.000 0.441 235 I N 0.965 121.502 120.570 -0.055 0.000 2.264 235 I HA -0.296 3.889 4.170 0.025 0.000 0.248 235 I C 2.743 178.838 176.117 -0.036 0.000 1.111 235 I CA 1.007 62.273 61.300 -0.057 0.000 1.382 235 I CB -0.217 37.740 38.000 -0.071 0.000 1.060 235 I HN 0.194 nan 8.210 nan 0.000 0.418 236 R N 0.981 121.468 120.500 -0.021 0.000 2.092 236 R HA -0.175 4.180 4.340 0.025 0.000 0.231 236 R C 1.626 177.921 176.300 -0.008 0.000 1.119 236 R CA 1.731 57.827 56.100 -0.007 0.000 0.970 236 R CB -0.399 29.906 30.300 0.008 0.000 0.864 236 R HN 0.353 nan 8.270 nan 0.000 0.440 237 D N 0.731 121.124 120.400 -0.012 0.000 2.117 237 D HA -0.133 4.522 4.640 0.025 0.000 0.198 237 D C 1.821 178.109 176.300 -0.021 0.000 0.982 237 D CA 1.015 55.007 54.000 -0.012 0.000 0.828 237 D CB -0.113 40.679 40.800 -0.014 0.000 0.967 237 D HN 0.387 nan 8.370 nan 0.000 0.464 238 Q N -0.518 119.264 119.800 -0.031 0.000 2.500 238 Q HA 0.025 4.380 4.340 0.025 0.000 0.213 238 Q C 1.572 177.554 176.000 -0.030 0.000 0.974 238 Q CA 0.533 56.314 55.803 -0.037 0.000 0.918 238 Q CB 0.045 28.753 28.738 -0.050 0.000 0.980 238 Q HN 0.340 nan 8.270 nan 0.000 0.505 239 M N -1.153 118.434 119.600 -0.022 0.000 2.382 239 M HA 0.146 4.641 4.480 0.025 0.000 0.247 239 M C 1.753 178.047 176.300 -0.011 0.000 1.104 239 M CA 0.040 55.329 55.300 -0.017 0.000 1.030 239 M CB 0.461 33.053 32.600 -0.013 0.000 1.424 239 M HN 0.152 nan 8.290 nan 0.000 0.486 240 A N 0.902 123.716 122.820 -0.009 0.000 1.832 240 A HA 0.198 4.533 4.320 0.025 0.000 0.214 240 A C 1.875 179.454 177.584 -0.008 0.000 1.204 240 A CA 1.100 53.135 52.037 -0.005 0.000 0.606 240 A CB -1.055 17.944 19.000 -0.002 0.000 0.849 240 A HN 0.434 nan 8.150 nan 0.000 0.445 241 A N 0.678 123.490 122.820 -0.013 0.000 1.976 241 A HA -0.112 4.223 4.320 0.025 0.000 0.275 241 A C 1.169 178.744 177.584 -0.014 0.000 1.293 241 A CA 1.465 53.492 52.037 -0.016 0.000 1.134 241 A CB -1.919 17.066 19.000 -0.024 0.000 0.955 241 A HN 0.822 nan 8.150 nan 0.000 0.407 242 T N -0.175 114.374 114.554 -0.009 0.000 3.439 242 T HA 0.106 4.471 4.350 0.025 0.000 0.251 242 T C 0.131 174.827 174.700 -0.008 0.000 1.108 242 T CA 0.105 62.200 62.100 -0.008 0.000 0.982 242 T CB -0.326 68.540 68.868 -0.004 0.000 1.024 242 T HN 0.575 nan 8.240 nan 0.000 0.573 243 E N 2.465 122.659 120.200 -0.010 0.000 3.298 243 E HA -0.089 4.276 4.350 0.025 0.000 0.224 243 E C 0.151 176.745 176.600 -0.009 0.000 1.033 243 E CA 0.437 56.831 56.400 -0.009 0.000 0.929 243 E CB -0.341 29.351 29.700 -0.013 0.000 0.920 243 E HN 0.534 nan 8.360 nan 0.000 0.564 244 Q N 2.277 122.073 119.800 -0.007 0.000 2.557 244 Q HA -0.097 4.258 4.340 0.025 0.000 0.316 244 Q C -0.233 175.761 176.000 -0.009 0.000 1.130 244 Q CA 0.940 56.739 55.803 -0.007 0.000 1.065 244 Q CB 0.141 28.876 28.738 -0.005 0.000 1.014 244 Q HN 0.231 nan 8.270 nan 0.000 0.397 245 D N 2.498 122.891 120.400 -0.011 0.000 2.253 245 D HA 0.342 4.997 4.640 0.025 0.000 0.249 245 D C -0.244 176.050 176.300 -0.011 0.000 1.049 245 D CA -0.223 53.770 54.000 -0.012 0.000 0.929 245 D CB 0.875 41.665 40.800 -0.015 0.000 1.176 245 D HN 0.244 nan 8.370 nan 0.000 0.437 246 K N 0.119 120.515 120.400 -0.007 0.000 2.435 246 K HA 0.328 4.663 4.320 0.025 0.000 0.251 246 K C -0.081 176.517 176.600 -0.003 0.000 0.954 246 K CA -0.736 55.549 56.287 -0.004 0.000 0.820 246 K CB 2.008 34.510 32.500 0.003 0.000 1.292 246 K HN 0.509 nan 8.250 nan 0.000 0.436 247 T N -1.294 113.258 114.554 -0.002 0.000 2.748 247 T HA 0.088 4.453 4.350 0.025 0.000 0.304 247 T C -1.810 172.894 174.700 0.007 0.000 1.041 247 T CA -1.032 61.068 62.100 -0.001 0.000 1.033 247 T CB 0.437 69.306 68.868 0.000 0.000 0.995 247 T HN 0.186 nan 8.240 nan 0.000 0.536 248 P HA -0.097 nan 4.420 nan 0.000 0.216 248 P C 1.678 178.996 177.300 0.029 0.000 1.157 248 P CA 0.508 63.612 63.100 0.008 0.000 0.880 248 P CB -0.075 31.617 31.700 -0.012 0.000 0.791 249 L N -0.532 120.715 121.223 0.041 0.000 2.056 249 L HA -0.174 4.181 4.340 0.025 0.000 0.207 249 L C 2.361 179.262 176.870 0.052 0.000 1.078 249 L CA 1.873 56.758 54.840 0.075 0.000 0.749 249 L CB -1.452 40.664 42.059 0.096 0.000 0.901 249 L HN -0.036 nan 8.230 nan 0.000 0.433 250 Q N -1.198 118.623 119.800 0.034 0.000 2.061 250 Q HA -0.284 4.071 4.340 0.025 0.000 0.204 250 Q C 2.250 178.272 176.000 0.036 0.000 0.984 250 Q CA 2.051 57.871 55.803 0.029 0.000 0.846 250 Q CB -0.228 28.519 28.738 0.016 0.000 0.902 250 Q HN 0.605 nan 8.270 nan 0.000 0.421 251 Q N 0.214 120.034 119.800 0.034 0.000 2.096 251 Q HA -0.207 4.148 4.340 0.025 0.000 0.204 251 Q C 2.029 178.064 176.000 0.058 0.000 0.982 251 Q CA 1.026 56.852 55.803 0.039 0.000 0.850 251 Q CB 0.044 28.800 28.738 0.031 0.000 0.901 251 Q HN 0.047 nan 8.270 nan 0.000 0.422 252 K N 0.548 120.988 120.400 0.066 0.000 2.001 252 K HA -0.159 4.176 4.320 0.025 0.000 0.214 252 K C 1.929 178.594 176.600 0.107 0.000 1.050 252 K CA 1.097 57.437 56.287 0.088 0.000 0.934 252 K CB -0.786 31.772 32.500 0.096 0.000 0.718 252 K HN 0.093 nan 8.250 nan 0.000 0.443 253 L N 1.723 122.990 121.223 0.074 0.000 2.043 253 L HA -0.231 4.124 4.340 0.025 0.000 0.212 253 L C 1.761 178.724 176.870 0.154 0.000 1.075 253 L CA 1.853 56.745 54.840 0.087 0.000 0.752 253 L CB -0.954 41.129 42.059 0.041 0.000 0.891 253 L HN 0.222 nan 8.230 nan 0.000 0.432 254 D N -1.016 119.445 120.400 0.102 0.000 2.097 254 D HA -0.175 4.479 4.640 0.025 0.000 0.197 254 D C 2.125 178.482 176.300 0.094 0.000 0.984 254 D CA 0.930 54.983 54.000 0.088 0.000 0.826 254 D CB -0.028 40.803 40.800 0.051 0.000 0.973 254 D HN 0.337 nan 8.370 nan 0.000 0.460 255 E N -0.379 119.878 120.200 0.095 0.000 2.108 255 E HA -0.237 4.128 4.350 0.025 0.000 0.203 255 E C 1.782 178.450 176.600 0.112 0.000 1.022 255 E CA 1.083 57.535 56.400 0.088 0.000 0.823 255 E CB -0.271 29.486 29.700 0.095 0.000 0.744 255 E HN 0.271 nan 8.360 nan 0.000 0.456 256 F N -0.241 119.718 119.950 0.016 0.000 2.407 256 F HA 0.061 4.604 4.527 0.026 0.000 0.299 256 F C 1.760 177.568 175.800 0.013 0.000 1.097 256 F CA 1.302 59.313 58.000 0.019 0.000 1.422 256 F CB -0.146 38.865 39.000 0.018 0.000 1.067 256 F HN 0.046 nan 8.300 nan 0.000 0.539 257 G N -0.134 108.735 108.800 0.116 0.000 2.395 257 G HA2 -0.184 3.791 3.960 0.025 0.000 0.214 257 G HA3 -0.184 3.791 3.960 0.025 0.000 0.214 257 G C 1.440 176.303 174.900 -0.061 0.000 1.177 257 G CA 0.617 45.736 45.100 0.032 0.000 0.794 257 G HN 0.406 nan 8.290 nan 0.000 0.532 258 E N 0.310 120.490 120.200 -0.033 0.000 2.160 258 E HA -0.131 4.234 4.350 0.025 0.000 0.195 258 E C 2.661 179.212 176.600 -0.082 0.000 0.991 258 E CA 0.960 57.335 56.400 -0.042 0.000 0.810 258 E CB 0.008 29.699 29.700 -0.016 0.000 0.742 258 E HN 0.380 nan 8.360 nan 0.000 0.466 259 Q N -0.039 119.681 119.800 -0.134 0.000 2.172 259 Q HA -0.098 4.257 4.340 0.025 0.000 0.200 259 Q C 2.235 178.112 176.000 -0.205 0.000 0.964 259 Q CA 0.613 56.317 55.803 -0.166 0.000 0.855 259 Q CB -0.104 28.520 28.738 -0.190 0.000 0.918 259 Q HN 0.244 nan 8.270 nan 0.000 0.444 260 L N 1.232 122.278 121.223 -0.295 0.000 2.056 260 L HA -0.143 4.212 4.340 0.025 0.000 0.207 260 L C 2.496 179.290 176.870 -0.127 0.000 1.078 260 L CA 2.155 56.841 54.840 -0.256 0.000 0.749 260 L CB -0.960 40.925 42.059 -0.290 0.000 0.901 260 L HN 0.226 nan 8.230 nan 0.000 0.433 261 S N -1.699 113.941 115.700 -0.100 0.000 2.371 261 S HA -0.138 4.347 4.470 0.025 0.000 0.224 261 S C 1.896 176.466 174.600 -0.051 0.000 1.029 261 S CA 0.523 58.689 58.200 -0.057 0.000 0.978 261 S CB -0.377 62.798 63.200 -0.041 0.000 0.833 261 S HN 0.237 nan 8.310 nan 0.000 0.466 262 K N 1.349 121.714 120.400 -0.058 0.000 2.589 262 K HA 0.283 4.618 4.320 0.025 0.000 0.192 262 K C 1.297 177.868 176.600 -0.048 0.000 1.029 262 K CA 0.052 56.310 56.287 -0.048 0.000 1.031 262 K CB -0.591 31.881 32.500 -0.046 0.000 0.821 262 K HN 0.372 nan 8.250 nan 0.000 0.502 263 V N 0.519 120.400 119.914 -0.056 0.000 2.561 263 V HA -0.096 4.039 4.120 0.025 0.000 0.206 263 V C 2.053 178.129 176.094 -0.029 0.000 1.143 263 V CA 0.588 62.863 62.300 -0.042 0.000 1.198 263 V CB -0.408 31.388 31.823 -0.046 0.000 0.784 263 V HN 0.088 nan 8.190 nan 0.000 0.494 264 I N 1.208 121.762 120.570 -0.027 0.000 2.811 264 I HA -0.469 3.716 4.170 0.025 0.000 0.229 264 I C 2.518 178.629 176.117 -0.010 0.000 0.854 264 I CA 2.544 63.835 61.300 -0.014 0.000 1.230 264 I CB -0.763 37.227 38.000 -0.016 0.000 0.953 264 I HN 0.638 nan 8.210 nan 0.000 0.389 265 S N 0.430 116.119 115.700 -0.018 0.000 2.371 265 S HA -0.063 4.422 4.470 0.025 0.000 0.224 265 S C 1.899 176.496 174.600 -0.006 0.000 1.029 265 S CA 1.063 59.252 58.200 -0.019 0.000 0.978 265 S CB -0.640 62.543 63.200 -0.028 0.000 0.833 265 S HN 0.513 nan 8.310 nan 0.000 0.466 266 L N 0.770 121.991 121.223 -0.004 0.000 2.109 266 L HA 0.117 4.472 4.340 0.025 0.000 0.207 266 L C 2.551 179.442 176.870 0.036 0.000 1.086 266 L CA 1.015 55.862 54.840 0.011 0.000 0.760 266 L CB -0.596 41.462 42.059 -0.001 0.000 0.910 266 L HN 0.319 nan 8.230 nan 0.000 0.437 267 I N -0.653 119.932 120.570 0.025 0.000 2.567 267 I HA -0.293 3.892 4.170 0.025 0.000 0.257 267 I C 2.234 178.428 176.117 0.129 0.000 1.184 267 I CA 0.803 62.138 61.300 0.058 0.000 1.451 267 I CB -0.300 37.714 38.000 0.024 0.000 1.089 267 I HN 0.409 nan 8.210 nan 0.000 0.441 268 C N -0.654 118.700 119.300 0.091 0.000 2.533 268 C HA 0.012 4.487 4.460 0.025 0.000 0.272 268 C C 2.753 177.858 174.990 0.192 0.000 1.371 268 C CA 0.084 59.167 59.018 0.109 0.000 1.758 268 C CB -0.240 27.515 27.740 0.025 0.000 1.972 268 C HN 0.416 nan 8.230 nan 0.000 0.522 269 V N 1.136 121.150 119.914 0.167 0.000 2.407 269 V HA -0.016 4.119 4.120 0.025 0.000 0.245 269 V C 2.550 178.862 176.094 0.364 0.000 1.041 269 V CA 2.166 64.629 62.300 0.272 0.000 1.040 269 V CB -0.566 31.342 31.823 0.142 0.000 0.671 269 V HN 0.462 nan 8.190 nan 0.000 0.455 270 A N -0.528 122.442 122.820 0.250 0.000 1.883 270 A HA -0.168 4.167 4.320 0.025 0.000 0.217 270 A C 2.312 180.073 177.584 0.295 0.000 1.186 270 A CA 2.261 54.455 52.037 0.261 0.000 0.624 270 A CB -0.868 18.269 19.000 0.228 0.000 0.822 270 A HN 0.399 nan 8.150 nan 0.000 0.444 271 V N -2.299 117.797 119.914 0.303 0.000 2.759 271 V HA -0.189 3.946 4.120 0.025 0.000 0.256 271 V C 1.973 178.128 176.094 0.102 0.000 1.080 271 V CA 1.554 63.946 62.300 0.153 0.000 1.101 271 V CB -0.604 31.297 31.823 0.131 0.000 0.698 271 V HN 0.860 nan 8.190 nan 0.000 0.477 272 W N -0.761 120.591 121.300 0.086 0.000 2.905 272 W HA 0.085 4.758 4.660 0.021 0.000 0.251 272 W C 1.688 178.267 176.519 0.100 0.000 1.305 272 W CA 0.660 58.125 57.345 0.199 0.000 1.465 272 W CB 0.202 29.809 29.460 0.245 0.000 1.122 272 W HN 0.161 nan 8.180 nan 0.000 0.659 273 L N -0.023 121.187 121.223 -0.022 0.000 2.286 273 L HA 0.041 4.396 4.340 0.025 0.000 0.203 273 L C 2.062 178.764 176.870 -0.280 0.000 1.068 273 L CA 0.590 55.303 54.840 -0.213 0.000 0.811 273 L CB -0.255 41.840 42.059 0.060 0.000 0.989 273 L HN -0.108 nan 8.230 nan 0.000 0.467 274 I N -0.452 119.994 120.570 -0.207 0.000 3.111 274 I HA -0.148 4.037 4.170 0.025 0.000 0.272 274 I C 1.722 177.493 176.117 -0.577 0.000 1.268 274 I CA 0.551 61.659 61.300 -0.320 0.000 1.467 274 I CB -0.386 37.488 38.000 -0.211 0.000 1.087 274 I HN 0.288 nan 8.210 nan 0.000 0.467 275 N N 1.559 119.978 118.700 -0.469 0.000 2.220 275 N HA -0.041 4.714 4.740 0.025 0.000 0.182 275 N C 1.543 176.796 175.510 -0.428 0.000 1.023 275 N CA 0.832 53.605 53.050 -0.462 0.000 0.856 275 N CB 0.076 38.292 38.487 -0.452 0.000 0.997 275 N HN 0.133 nan 8.380 nan 0.000 0.429 276 I N 0.337 120.566 120.570 -0.568 0.000 3.550 276 I HA 0.158 4.343 4.170 0.025 0.000 0.295 276 I C 1.578 177.516 176.117 -0.297 0.000 1.291 276 I CA 0.101 61.113 61.300 -0.479 0.000 1.298 276 I CB -0.361 37.070 38.000 -0.949 0.000 1.026 276 I HN 0.165 nan 8.210 nan 0.000 0.491 277 G N -0.190 108.390 108.800 -0.366 0.000 2.408 277 G HA2 -0.173 3.802 3.960 0.025 0.000 0.213 277 G HA3 -0.173 3.802 3.960 0.025 0.000 0.213 277 G C 0.617 175.407 174.900 -0.183 0.000 1.177 277 G CA 0.367 45.303 45.100 -0.272 0.000 0.802 277 G HN 0.653 nan 8.290 nan 0.000 0.533 278 H N -1.272 117.743 119.070 -0.092 0.000 2.498 278 H HA 0.483 5.053 4.556 0.024 0.000 0.239 278 H C 0.358 175.642 175.328 -0.073 0.000 1.586 278 H CA -1.002 54.989 56.048 -0.094 0.000 1.164 278 H CB -0.161 29.534 29.762 -0.112 0.000 1.597 278 H HN 0.242 nan 8.280 nan 0.000 0.516 279 F N 1.645 121.507 119.950 -0.147 0.000 2.678 279 F HA 0.182 4.722 4.527 0.022 0.000 0.305 279 F C 0.268 176.001 175.800 -0.112 0.000 1.090 279 F CA -0.702 57.200 58.000 -0.163 0.000 1.272 279 F CB 0.296 39.173 39.000 -0.204 0.000 1.060 279 F HN 0.225 nan 8.300 nan 0.000 0.576 280 N N 0.595 119.109 118.700 -0.310 0.000 2.346 280 N HA 0.123 4.878 4.740 0.025 0.000 0.225 280 N C -1.070 174.305 175.510 -0.224 0.000 1.144 280 N CA 0.360 53.210 53.050 -0.332 0.000 0.837 280 N CB -0.432 37.965 38.487 -0.149 0.000 1.069 280 N HN 0.404 nan 8.380 nan 0.000 0.487 281 D N -3.131 117.127 120.400 -0.236 0.000 3.719 281 D HA 0.090 4.745 4.640 0.025 0.000 0.292 281 D C -2.235 173.956 176.300 -0.182 0.000 1.511 281 D CA -0.828 53.080 54.000 -0.153 0.000 0.760 281 D CB -0.506 40.236 40.800 -0.096 0.000 1.333 281 D HN -0.012 nan 8.370 nan 0.000 0.684 282 P HA 0.053 nan 4.420 nan 0.000 0.242 282 P C 1.020 178.187 177.300 -0.222 0.000 1.197 282 P CA -0.130 62.770 63.100 -0.334 0.000 0.765 282 P CB 0.400 31.727 31.700 -0.621 0.000 0.936 283 V N -0.427 119.422 119.914 -0.109 0.000 2.888 283 V HA -0.328 3.807 4.120 0.025 0.000 0.152 283 V C -0.170 175.951 176.094 0.046 0.000 0.471 283 V CA 1.107 63.397 62.300 -0.018 0.000 1.184 283 V CB -2.730 29.064 31.823 -0.049 0.000 1.371 283 V HN 0.521 nan 8.190 nan 0.000 1.055 284 H N -0.154 118.935 119.070 0.031 0.000 1.538 284 H HA 0.035 4.605 4.556 0.025 0.000 0.323 284 H C 1.039 176.392 175.328 0.040 0.000 0.765 284 H CA 1.422 57.520 56.048 0.083 0.000 1.086 284 H CB -0.669 29.165 29.762 0.119 0.000 1.467 284 H HN 0.810 nan 8.280 nan 0.000 0.243 285 G N 0.977 109.826 108.800 0.081 0.000 4.632 285 G HA2 0.489 4.464 3.960 0.025 0.000 0.244 285 G HA3 0.489 4.464 3.960 0.025 0.000 0.244 285 G C 0.534 175.450 174.900 0.028 0.000 1.070 285 G CA 0.009 45.137 45.100 0.046 0.000 0.791 285 G HN 0.796 nan 8.290 nan 0.000 0.544 286 G N 0.441 109.271 108.800 0.050 0.000 4.706 286 G HA2 0.478 4.453 3.960 0.025 0.000 0.223 286 G HA3 0.478 4.453 3.960 0.025 0.000 0.223 286 G C 0.216 175.161 174.900 0.075 0.000 0.812 286 G CA 0.574 45.699 45.100 0.043 0.000 1.222 286 G HN 1.856 nan 8.290 nan 0.000 0.732 287 S N -2.003 113.753 115.700 0.093 0.000 3.282 287 S HA -0.193 4.292 4.470 0.025 0.000 0.856 287 S C 0.217 174.983 174.600 0.275 0.000 1.110 287 S CA 0.286 58.548 58.200 0.104 0.000 1.106 287 S CB -0.879 62.354 63.200 0.055 0.000 0.770 287 S HN 0.876 nan 8.310 nan 0.000 0.262 288 W N 2.136 123.485 121.300 0.081 0.000 3.392 288 W HA 0.299 4.976 4.660 0.029 0.000 0.277 288 W C 1.752 178.315 176.519 0.072 0.000 1.323 288 W CA -0.299 57.104 57.345 0.095 0.000 1.616 288 W CB -1.303 28.230 29.460 0.123 0.000 1.056 288 W HN 0.743 nan 8.180 nan 0.000 0.745 289 I N 0.191 120.908 120.570 0.246 0.000 2.556 289 I HA -0.067 4.118 4.170 0.025 0.000 0.251 289 I C 2.324 178.534 176.117 0.155 0.000 1.105 289 I CA 0.558 61.949 61.300 0.152 0.000 1.436 289 I CB 0.078 38.133 38.000 0.093 0.000 1.139 289 I HN -0.260 nan 8.210 nan 0.000 0.438 290 R N 0.554 121.142 120.500 0.146 0.000 2.249 290 R HA -0.116 4.239 4.340 0.025 0.000 0.230 290 R C 1.801 178.194 176.300 0.154 0.000 1.121 290 R CA 1.289 57.464 56.100 0.126 0.000 0.997 290 R CB -0.231 30.110 30.300 0.069 0.000 0.867 290 R HN 0.565 nan 8.270 nan 0.000 0.465 291 G N -1.204 107.710 108.800 0.189 0.000 2.748 291 G HA2 0.049 4.024 3.960 0.025 0.000 0.204 291 G HA3 0.049 4.024 3.960 0.025 0.000 0.204 291 G C 1.304 176.433 174.900 0.383 0.000 1.095 291 G CA 0.380 45.623 45.100 0.237 0.000 0.775 291 G HN 0.276 nan 8.290 nan 0.000 0.531 292 A N 1.269 124.260 122.820 0.285 0.000 1.908 292 A HA 0.053 4.388 4.320 0.025 0.000 0.218 292 A C 2.030 179.796 177.584 0.303 0.000 1.181 292 A CA 1.159 53.338 52.037 0.237 0.000 0.627 292 A CB -0.377 18.686 19.000 0.106 0.000 0.818 292 A HN 0.360 nan 8.150 nan 0.000 0.445 293 I N -2.008 118.718 120.570 0.260 0.000 3.810 293 I HA 0.027 4.212 4.170 0.025 0.000 0.322 293 I C 1.616 177.931 176.117 0.329 0.000 1.288 293 I CA 0.270 61.727 61.300 0.262 0.000 1.143 293 I CB -0.145 37.945 38.000 0.150 0.000 1.012 293 I HN 0.442 nan 8.210 nan 0.000 0.423 294 Y N 0.173 120.636 120.300 0.272 0.000 2.517 294 Y HA -0.085 4.479 4.550 0.023 0.000 0.281 294 Y C 1.772 177.737 175.900 0.108 0.000 1.125 294 Y CA 1.104 59.298 58.100 0.157 0.000 1.283 294 Y CB 0.063 38.559 38.460 0.061 0.000 1.042 294 Y HN 0.062 nan 8.280 nan 0.000 0.547 295 Y N -1.516 118.925 120.300 0.236 0.000 2.163 295 Y HA -0.043 4.522 4.550 0.024 0.000 0.288 295 Y C 1.297 177.152 175.900 -0.074 0.000 1.112 295 Y CA 1.257 59.386 58.100 0.050 0.000 1.104 295 Y CB -0.827 37.652 38.460 0.031 0.000 1.016 295 Y HN -0.081 nan 8.280 nan 0.000 0.497 296 F N 0.978 121.047 119.950 0.198 0.000 2.703 296 F HA 0.139 4.682 4.527 0.027 0.000 0.299 296 F C 1.762 177.588 175.800 0.043 0.000 1.229 296 F CA 0.137 58.196 58.000 0.098 0.000 1.430 296 F CB -0.558 38.490 39.000 0.080 0.000 1.053 296 F HN 0.068 nan 8.300 nan 0.000 0.513 297 K N 0.289 120.764 120.400 0.125 0.000 2.325 297 K HA 0.176 4.511 4.320 0.025 0.000 0.203 297 K C 1.695 178.253 176.600 -0.071 0.000 1.128 297 K CA 0.470 56.767 56.287 0.016 0.000 0.931 297 K CB 0.067 32.549 32.500 -0.029 0.000 1.125 297 K HN 0.299 nan 8.250 nan 0.000 0.487 298 I N 1.507 121.971 120.570 -0.176 0.000 3.419 298 I HA 0.005 4.190 4.170 0.025 0.000 0.286 298 I C 2.003 178.065 176.117 -0.093 0.000 1.268 298 I CA 0.433 61.626 61.300 -0.178 0.000 1.414 298 I CB 0.368 38.177 38.000 -0.319 0.000 1.074 298 I HN 0.242 nan 8.210 nan 0.000 0.457 299 A N -0.064 122.704 122.820 -0.086 0.000 1.970 299 A HA -0.047 4.288 4.320 0.025 0.000 0.216 299 A C 2.331 179.895 177.584 -0.033 0.000 1.170 299 A CA 0.874 52.861 52.037 -0.083 0.000 0.645 299 A CB -0.466 18.406 19.000 -0.214 0.000 0.816 299 A HN 0.190 nan 8.150 nan 0.000 0.447 300 V N -0.174 119.741 119.914 0.001 0.000 2.255 300 V HA -0.183 3.952 4.120 0.025 0.000 0.243 300 V C 3.050 179.157 176.094 0.020 0.000 1.038 300 V CA 1.896 64.213 62.300 0.028 0.000 1.008 300 V CB -0.886 30.969 31.823 0.054 0.000 0.645 300 V HN 0.573 nan 8.190 nan 0.000 0.449 301 A N -0.665 122.160 122.820 0.008 0.000 1.986 301 A HA -0.227 4.108 4.320 0.025 0.000 0.220 301 A C 2.186 179.779 177.584 0.014 0.000 1.171 301 A CA 1.980 54.023 52.037 0.010 0.000 0.640 301 A CB -0.615 18.380 19.000 -0.008 0.000 0.811 301 A HN 0.529 nan 8.150 nan 0.000 0.451 302 L N -1.334 119.894 121.223 0.009 0.000 2.141 302 L HA -0.177 4.178 4.340 0.025 0.000 0.209 302 L C 3.013 179.894 176.870 0.018 0.000 1.094 302 L CA 0.903 55.756 54.840 0.022 0.000 0.763 302 L CB -0.395 41.680 42.059 0.026 0.000 0.908 302 L HN 0.494 nan 8.230 nan 0.000 0.437 303 A N -0.618 122.211 122.820 0.016 0.000 1.843 303 A HA -0.109 4.226 4.320 0.025 0.000 0.213 303 A C 2.239 179.838 177.584 0.025 0.000 1.202 303 A CA 1.152 53.200 52.037 0.018 0.000 0.607 303 A CB -0.804 18.208 19.000 0.021 0.000 0.847 303 A HN 0.111 nan 8.150 nan 0.000 0.445 304 V N 0.318 120.252 119.914 0.033 0.000 2.317 304 V HA -0.339 3.795 4.120 0.025 0.000 0.251 304 V C 3.027 179.140 176.094 0.031 0.000 1.065 304 V CA 2.214 64.538 62.300 0.040 0.000 1.049 304 V CB -1.244 30.612 31.823 0.054 0.000 0.651 304 V HN 0.626 nan 8.190 nan 0.000 0.450 305 A N -0.479 122.357 122.820 0.026 0.000 1.873 305 A HA -0.039 4.296 4.320 0.025 0.000 0.215 305 A C 2.381 179.971 177.584 0.010 0.000 1.186 305 A CA 2.062 54.111 52.037 0.018 0.000 0.616 305 A CB -0.687 18.326 19.000 0.022 0.000 0.823 305 A HN 0.577 nan 8.150 nan 0.000 0.442 306 A N -0.487 122.339 122.820 0.010 0.000 1.874 306 A HA 0.239 4.574 4.320 0.025 0.000 0.214 306 A C 0.835 178.422 177.584 0.004 0.000 1.189 306 A CA 0.420 52.459 52.037 0.003 0.000 0.615 306 A CB -0.402 18.596 19.000 -0.004 0.000 0.830 306 A HN 0.340 nan 8.150 nan 0.000 0.443 307 I N 1.089 121.666 120.570 0.011 0.000 2.668 307 I HA 0.112 4.297 4.170 0.025 0.000 0.285 307 I C -2.431 173.699 176.117 0.022 0.000 1.168 307 I CA -2.541 58.772 61.300 0.022 0.000 1.424 307 I CB 0.080 38.095 38.000 0.025 0.000 1.377 307 I HN 0.052 nan 8.210 nan 0.000 0.560 308 P HA 0.136 nan 4.420 nan 0.000 0.219 308 P C -0.164 177.142 177.300 0.010 0.000 1.847 308 P CA -0.617 62.490 63.100 0.012 0.000 1.059 308 P CB -0.044 31.668 31.700 0.020 0.000 1.900 309 E N 1.069 121.275 120.200 0.009 0.000 2.458 309 E HA 0.058 4.422 4.350 0.025 0.000 0.264 309 E C 1.059 177.646 176.600 -0.021 0.000 1.097 309 E CA 0.718 57.120 56.400 0.004 0.000 0.973 309 E CB -0.259 29.452 29.700 0.018 0.000 0.963 309 E HN 0.438 nan 8.360 nan 0.000 0.451 310 G N 1.590 110.369 108.800 -0.034 0.000 3.079 310 G HA2 -0.373 3.602 3.960 0.025 0.000 0.214 310 G HA3 -0.373 3.602 3.960 0.025 0.000 0.214 310 G C 0.966 175.823 174.900 -0.073 0.000 1.335 310 G CA 0.233 45.294 45.100 -0.066 0.000 0.822 310 G HN 0.513 nan 8.290 nan 0.000 0.545 311 L N 1.957 123.153 121.223 -0.045 0.000 2.030 311 L HA -0.149 4.206 4.340 0.025 0.000 0.222 311 L C 0.306 177.149 176.870 -0.045 0.000 1.082 311 L CA 3.413 58.234 54.840 -0.033 0.000 0.785 311 L CB -1.103 40.971 42.059 0.025 0.000 0.895 311 L HN 0.346 nan 8.230 nan 0.000 0.439 312 P HA -0.180 nan 4.420 nan 0.000 0.217 312 P C 1.249 178.529 177.300 -0.033 0.000 1.148 312 P CA 1.885 64.975 63.100 -0.017 0.000 0.828 312 P CB -0.053 31.638 31.700 -0.016 0.000 0.783 313 A N -0.463 122.320 122.820 -0.061 0.000 1.854 313 A HA -0.119 4.215 4.320 0.025 0.000 0.214 313 A C 2.306 179.822 177.584 -0.113 0.000 1.192 313 A CA 1.855 53.849 52.037 -0.072 0.000 0.611 313 A CB -1.720 17.231 19.000 -0.082 0.000 0.832 313 A HN 0.187 nan 8.150 nan 0.000 0.442 314 V N -0.914 118.880 119.914 -0.200 0.000 2.809 314 V HA -0.098 4.037 4.120 0.025 0.000 0.256 314 V C 1.964 177.837 176.094 -0.368 0.000 1.080 314 V CA 1.754 63.841 62.300 -0.355 0.000 1.102 314 V CB -0.417 31.057 31.823 -0.582 0.000 0.705 314 V HN 0.497 nan 8.190 nan 0.000 0.475 315 I N 0.346 120.806 120.570 -0.183 0.000 2.235 315 I HA -0.146 4.039 4.170 0.025 0.000 0.241 315 I C 2.646 178.781 176.117 0.031 0.000 1.085 315 I CA 1.886 63.203 61.300 0.028 0.000 1.378 315 I CB -0.536 37.513 38.000 0.083 0.000 1.076 315 I HN 0.293 nan 8.210 nan 0.000 0.415 316 T N 0.234 114.798 114.554 0.017 0.000 2.720 316 T HA -0.198 4.167 4.350 0.025 0.000 0.268 316 T C 1.830 176.567 174.700 0.061 0.000 1.037 316 T CA 2.126 64.264 62.100 0.063 0.000 1.144 316 T CB -0.325 68.595 68.868 0.086 0.000 0.864 316 T HN 0.348 nan 8.240 nan 0.000 0.444 317 T N 0.962 115.518 114.554 0.005 0.000 2.684 317 T HA -0.172 4.193 4.350 0.025 0.000 0.267 317 T C 2.248 176.946 174.700 -0.003 0.000 1.036 317 T CA 1.331 63.429 62.100 -0.003 0.000 1.148 317 T CB -0.837 67.994 68.868 -0.061 0.000 0.863 317 T HN 0.552 nan 8.240 nan 0.000 0.436 318 C N 1.450 120.735 119.300 -0.025 0.000 2.367 318 C HA -0.120 4.355 4.460 0.025 0.000 0.276 318 C C 2.514 177.531 174.990 0.044 0.000 1.195 318 C CA 0.750 59.781 59.018 0.021 0.000 1.756 318 C CB -1.447 26.377 27.740 0.140 0.000 2.046 318 C HN 0.387 nan 8.230 nan 0.000 0.453 319 L N 1.415 122.672 121.223 0.057 0.000 2.079 319 L HA -0.037 4.318 4.340 0.025 0.000 0.210 319 L C 2.870 179.771 176.870 0.053 0.000 1.081 319 L CA 2.365 57.235 54.840 0.050 0.000 0.752 319 L CB -1.629 40.460 42.059 0.049 0.000 0.896 319 L HN 0.514 nan 8.230 nan 0.000 0.433 320 A N -1.040 121.824 122.820 0.073 0.000 1.929 320 A HA -0.078 4.257 4.320 0.025 0.000 0.216 320 A C 2.293 179.927 177.584 0.084 0.000 1.176 320 A CA 1.008 53.105 52.037 0.100 0.000 0.628 320 A CB -0.483 18.609 19.000 0.152 0.000 0.816 320 A HN 0.377 nan 8.150 nan 0.000 0.444 321 L N -0.578 120.688 121.223 0.072 0.000 2.017 321 L HA -0.117 4.238 4.340 0.025 0.000 0.208 321 L C 2.875 179.779 176.870 0.057 0.000 1.073 321 L CA 1.212 56.097 54.840 0.076 0.000 0.745 321 L CB -1.270 40.836 42.059 0.077 0.000 0.894 321 L HN 0.452 nan 8.230 nan 0.000 0.432 322 G N -0.302 108.523 108.800 0.042 0.000 2.513 322 G HA2 -0.307 3.668 3.960 0.025 0.000 0.219 322 G HA3 -0.307 3.668 3.960 0.025 0.000 0.219 322 G C 1.579 176.495 174.900 0.026 0.000 1.160 322 G CA 1.631 46.749 45.100 0.030 0.000 0.767 322 G HN 0.303 nan 8.290 nan 0.000 0.571 323 T N -0.255 114.316 114.554 0.029 0.000 2.833 323 T HA -0.054 4.311 4.350 0.025 0.000 0.269 323 T C 2.401 177.117 174.700 0.027 0.000 1.054 323 T CA 1.172 63.283 62.100 0.020 0.000 1.135 323 T CB -0.067 68.810 68.868 0.015 0.000 0.869 323 T HN 0.258 nan 8.240 nan 0.000 0.466 324 R N 0.429 120.956 120.500 0.044 0.000 2.093 324 R HA 0.067 4.422 4.340 0.025 0.000 0.224 324 R C 2.571 178.893 176.300 0.038 0.000 1.101 324 R CA 0.856 56.984 56.100 0.048 0.000 0.979 324 R CB 0.079 30.418 30.300 0.065 0.000 0.877 324 R HN 0.360 nan 8.270 nan 0.000 0.441 325 R N -0.459 120.063 120.500 0.036 0.000 2.115 325 R HA 0.004 4.359 4.340 0.025 0.000 0.226 325 R C 2.074 178.382 176.300 0.015 0.000 1.100 325 R CA 0.912 57.028 56.100 0.026 0.000 0.980 325 R CB -0.142 30.174 30.300 0.026 0.000 0.875 325 R HN 0.138 nan 8.270 nan 0.000 0.445 326 M N 0.880 120.486 119.600 0.010 0.000 2.175 326 M HA 0.017 4.512 4.480 0.025 0.000 0.264 326 M C 2.510 178.810 176.300 0.000 0.000 1.063 326 M CA 1.380 56.680 55.300 -0.001 0.000 1.119 326 M CB -0.975 31.619 32.600 -0.010 0.000 1.377 326 M HN 0.224 nan 8.290 nan 0.000 0.415 327 A N 0.795 123.620 122.820 0.007 0.000 1.927 327 A HA -0.239 4.096 4.320 0.025 0.000 0.220 327 A C 2.244 179.835 177.584 0.011 0.000 1.185 327 A CA 2.109 54.152 52.037 0.010 0.000 0.639 327 A CB -0.746 18.265 19.000 0.017 0.000 0.820 327 A HN 0.508 nan 8.150 nan 0.000 0.451 328 K N -0.856 119.552 120.400 0.013 0.000 2.362 328 K HA -0.061 4.274 4.320 0.025 0.000 0.200 328 K C 1.498 178.103 176.600 0.008 0.000 1.046 328 K CA 1.341 57.636 56.287 0.013 0.000 0.952 328 K CB -0.043 32.466 32.500 0.015 0.000 0.753 328 K HN 0.405 nan 8.250 nan 0.000 0.466 329 K N 0.146 120.548 120.400 0.004 0.000 2.374 329 K HA 0.105 4.440 4.320 0.025 0.000 0.196 329 K C -0.241 176.357 176.600 -0.003 0.000 1.023 329 K CA -0.012 56.275 56.287 -0.001 0.000 1.103 329 K CB 0.505 33.001 32.500 -0.006 0.000 0.848 329 K HN 0.057 nan 8.250 nan 0.000 0.528 330 N N -0.465 118.234 118.700 -0.001 0.000 2.829 330 N HA -0.161 4.594 4.740 0.025 0.000 0.250 330 N C -1.039 174.466 175.510 -0.009 0.000 1.090 330 N CA 1.039 54.088 53.050 -0.002 0.000 0.781 330 N CB -1.403 37.085 38.487 0.002 0.000 1.124 330 N HN 0.260 nan 8.380 nan 0.000 0.559 331 A N 0.585 123.396 122.820 -0.015 0.000 2.249 331 A HA 0.676 5.011 4.320 0.025 0.000 0.314 331 A C 0.432 178.004 177.584 -0.020 0.000 1.290 331 A CA -0.414 51.608 52.037 -0.024 0.000 0.893 331 A CB 0.389 19.368 19.000 -0.036 0.000 1.165 331 A HN 0.240 nan 8.150 nan 0.000 0.530 332 I N 2.826 123.383 120.570 -0.021 0.000 2.325 332 I HA 0.243 4.428 4.170 0.025 0.000 0.291 332 I C -0.345 175.753 176.117 -0.031 0.000 1.019 332 I CA -0.288 61.000 61.300 -0.021 0.000 1.302 332 I CB 1.756 39.745 38.000 -0.017 0.000 1.401 332 I HN 0.287 nan 8.210 nan 0.000 0.485 333 V N 7.991 127.884 119.914 -0.035 0.000 2.294 333 V HA 0.275 4.410 4.120 0.025 0.000 0.272 333 V C 1.275 177.329 176.094 -0.067 0.000 1.027 333 V CA -0.459 61.813 62.300 -0.047 0.000 0.823 333 V CB 0.851 32.650 31.823 -0.040 0.000 1.030 333 V HN 0.717 nan 8.190 nan 0.000 0.457 334 R N 1.989 122.446 120.500 -0.070 0.000 2.189 334 R HA 0.046 4.401 4.340 0.025 0.000 0.218 334 R C 0.709 176.935 176.300 -0.123 0.000 1.074 334 R CA 0.549 56.596 56.100 -0.088 0.000 0.991 334 R CB 0.224 30.484 30.300 -0.066 0.000 0.883 334 R HN 0.502 nan 8.270 nan 0.000 0.457 335 S N 0.243 115.877 115.700 -0.110 0.000 2.789 335 S HA 0.288 4.773 4.470 0.025 0.000 0.286 335 S C 0.955 175.492 174.600 -0.105 0.000 1.153 335 S CA -0.580 57.547 58.200 -0.122 0.000 1.084 335 S CB 0.884 64.031 63.200 -0.088 0.000 1.036 335 S HN 0.084 nan 8.310 nan 0.000 0.484 336 L N 4.617 125.759 121.223 -0.135 0.000 2.013 336 L HA -0.061 4.294 4.340 0.025 0.000 0.212 336 L C -0.818 176.029 176.870 -0.039 0.000 1.073 336 L CA 1.550 56.340 54.840 -0.083 0.000 0.753 336 L CB -1.757 40.256 42.059 -0.076 0.000 0.890 336 L HN 0.464 nan 8.230 nan 0.000 0.432 337 P HA -0.124 nan 4.420 nan 0.000 0.219 337 P C 1.502 178.793 177.300 -0.014 0.000 1.146 337 P CA 1.275 64.368 63.100 -0.012 0.000 0.808 337 P CB -0.038 31.655 31.700 -0.011 0.000 0.779 338 S N -1.009 114.673 115.700 -0.029 0.000 2.603 338 S HA -0.051 4.434 4.470 0.025 0.000 0.229 338 S C 1.812 176.396 174.600 -0.026 0.000 0.972 338 S CA 0.267 58.450 58.200 -0.028 0.000 0.935 338 S CB -1.109 62.069 63.200 -0.038 0.000 0.769 338 S HN 0.023 nan 8.310 nan 0.000 0.536 339 V N 1.828 121.730 119.914 -0.020 0.000 2.913 339 V HA -0.083 4.052 4.120 0.025 0.000 0.260 339 V C 2.429 178.520 176.094 -0.005 0.000 1.098 339 V CA 1.532 63.823 62.300 -0.015 0.000 1.121 339 V CB -0.190 31.629 31.823 -0.006 0.000 0.714 339 V HN 0.485 nan 8.190 nan 0.000 0.487 340 E N -0.645 119.557 120.200 0.003 0.000 2.216 340 E HA -0.096 4.269 4.350 0.025 0.000 0.192 340 E C 2.026 178.624 176.600 -0.003 0.000 0.973 340 E CA 1.235 57.644 56.400 0.015 0.000 0.851 340 E CB 0.032 29.758 29.700 0.044 0.000 0.804 340 E HN 0.603 nan 8.360 nan 0.000 0.477 341 T N 2.373 116.919 114.554 -0.014 0.000 2.665 341 T HA -0.163 4.202 4.350 0.025 0.000 0.268 341 T C 2.010 176.687 174.700 -0.039 0.000 1.035 341 T CA 1.417 63.502 62.100 -0.026 0.000 1.151 341 T CB -0.329 68.523 68.868 -0.026 0.000 0.862 341 T HN 0.167 nan 8.240 nan 0.000 0.438 342 L N 0.702 121.900 121.223 -0.042 0.000 2.187 342 L HA -0.078 4.277 4.340 0.025 0.000 0.213 342 L C 2.875 179.715 176.870 -0.050 0.000 1.100 342 L CA 1.067 55.878 54.840 -0.050 0.000 0.765 342 L CB -0.820 41.204 42.059 -0.058 0.000 0.904 342 L HN 0.398 nan 8.230 nan 0.000 0.437 343 G N -0.437 108.335 108.800 -0.046 0.000 2.432 343 G HA2 -0.285 3.690 3.960 0.025 0.000 0.219 343 G HA3 -0.285 3.690 3.960 0.025 0.000 0.219 343 G C 1.381 176.229 174.900 -0.087 0.000 1.135 343 G CA 0.888 45.956 45.100 -0.053 0.000 0.767 343 G HN 0.636 nan 8.290 nan 0.000 0.550 344 C N -0.224 119.014 119.300 -0.102 0.000 2.688 344 C HA 0.486 4.961 4.460 0.025 0.000 0.297 344 C C 0.884 175.826 174.990 -0.079 0.000 1.308 344 C CA -0.989 57.955 59.018 -0.123 0.000 1.726 344 C CB -1.292 26.346 27.740 -0.170 0.000 1.982 344 C HN 0.054 nan 8.230 nan 0.000 0.604 345 T N 2.343 116.862 114.554 -0.059 0.000 2.901 345 T HA 0.282 4.647 4.350 0.025 0.000 0.301 345 T C 1.305 175.984 174.700 -0.035 0.000 1.012 345 T CA 0.987 63.062 62.100 -0.042 0.000 1.135 345 T CB 1.308 70.154 68.868 -0.038 0.000 0.936 345 T HN 0.742 nan 8.240 nan 0.000 0.539 346 S N 1.717 117.402 115.700 -0.024 0.000 2.499 346 S HA 0.185 4.670 4.470 0.025 0.000 0.225 346 S C 0.421 175.017 174.600 -0.008 0.000 1.050 346 S CA -0.279 57.910 58.200 -0.018 0.000 0.928 346 S CB 0.307 63.497 63.200 -0.017 0.000 0.803 346 S HN 0.409 nan 8.310 nan 0.000 0.506 347 V N 2.404 122.318 119.914 0.001 0.000 2.487 347 V HA 0.545 4.680 4.120 0.025 0.000 0.298 347 V C -0.762 175.339 176.094 0.011 0.000 1.028 347 V CA -0.822 61.484 62.300 0.011 0.000 0.860 347 V CB 1.458 33.296 31.823 0.024 0.000 0.991 347 V HN 0.374 nan 8.190 nan 0.000 0.427 348 I N 3.668 124.249 120.570 0.018 0.000 2.328 348 I HA 0.336 4.520 4.170 0.025 0.000 0.287 348 I C -0.112 176.032 176.117 0.044 0.000 1.012 348 I CA -0.092 61.223 61.300 0.026 0.000 1.195 348 I CB 1.061 39.081 38.000 0.034 0.000 1.350 348 I HN 0.564 nan 8.210 nan 0.000 0.464 349 C N 4.230 123.551 119.300 0.035 0.000 2.527 349 C HA 0.475 4.950 4.460 0.025 0.000 0.396 349 C C 0.793 175.818 174.990 0.057 0.000 1.289 349 C CA -0.191 58.851 59.018 0.040 0.000 2.047 349 C CB 0.428 28.176 27.740 0.014 0.000 2.568 349 C HN 0.774 nan 8.230 nan 0.000 0.573 350 S N 1.114 116.854 115.700 0.067 0.000 2.557 350 S HA 0.361 4.846 4.470 0.025 0.000 0.291 350 S C -0.899 173.730 174.600 0.047 0.000 1.116 350 S CA -0.529 57.724 58.200 0.088 0.000 0.992 350 S CB 0.985 64.270 63.200 0.143 0.000 1.028 350 S HN 0.874 nan 8.310 nan 0.000 0.484 351 D N 2.841 123.269 120.400 0.047 0.000 2.382 351 D HA 0.190 4.845 4.640 0.025 0.000 0.240 351 D C 1.017 177.319 176.300 0.003 0.000 1.146 351 D CA 0.204 54.218 54.000 0.024 0.000 0.897 351 D CB 0.817 41.631 40.800 0.024 0.000 1.197 351 D HN 0.542 nan 8.370 nan 0.000 0.432 352 K N 1.064 121.456 120.400 -0.014 0.000 2.019 352 K HA 0.026 4.361 4.320 0.025 0.000 0.209 352 K C 0.130 176.708 176.600 -0.037 0.000 1.032 352 K CA 0.378 56.640 56.287 -0.042 0.000 0.947 352 K CB -0.209 32.268 32.500 -0.039 0.000 0.757 352 K HN 0.473 nan 8.250 nan 0.000 0.444 353 T N 0.766 115.307 114.554 -0.021 0.000 2.817 353 T HA 0.209 4.574 4.350 0.025 0.000 0.295 353 T C 0.598 175.294 174.700 -0.007 0.000 0.958 353 T CA 0.763 62.853 62.100 -0.017 0.000 1.157 353 T CB 0.603 69.467 68.868 -0.006 0.000 0.898 353 T HN 0.687 nan 8.240 nan 0.000 0.536 354 G N 3.409 112.201 108.800 -0.012 0.000 2.184 354 G HA2 -0.315 3.660 3.960 0.025 0.000 0.264 354 G HA3 -0.315 3.660 3.960 0.025 0.000 0.264 354 G C 0.807 175.716 174.900 0.015 0.000 0.975 354 G CA 0.784 45.885 45.100 0.002 0.000 0.642 354 G HN 0.713 nan 8.290 nan 0.000 0.536 355 T N -0.295 114.262 114.554 0.006 0.000 3.478 355 T HA 0.308 4.673 4.350 0.025 0.000 0.223 355 T C 1.967 176.644 174.700 -0.039 0.000 0.958 355 T CA 0.735 62.863 62.100 0.046 0.000 1.324 355 T CB -0.264 68.652 68.868 0.080 0.000 1.262 355 T HN 0.030 nan 8.240 nan 0.000 0.379 356 L N 2.246 123.379 121.223 -0.150 0.000 2.131 356 L HA 0.094 4.449 4.340 0.025 0.000 0.210 356 L C 1.657 178.404 176.870 -0.204 0.000 1.092 356 L CA 1.493 56.142 54.840 -0.317 0.000 0.759 356 L CB -1.330 40.558 42.059 -0.286 0.000 0.903 356 L HN 0.549 nan 8.230 nan 0.000 0.435 357 T N -5.544 108.939 114.554 -0.118 0.000 2.923 357 T HA 0.311 4.676 4.350 0.025 0.000 0.281 357 T C 1.200 175.859 174.700 -0.069 0.000 0.995 357 T CA 0.096 62.141 62.100 -0.092 0.000 0.985 357 T CB 1.333 70.157 68.868 -0.074 0.000 1.114 357 T HN 0.208 nan 8.240 nan 0.000 0.548 358 T N -1.702 112.806 114.554 -0.075 0.000 3.088 358 T HA 0.102 4.467 4.350 0.025 0.000 0.259 358 T C 1.039 175.697 174.700 -0.070 0.000 1.122 358 T CA 0.568 62.625 62.100 -0.072 0.000 1.095 358 T CB -0.871 67.938 68.868 -0.100 0.000 0.930 358 T HN 0.928 nan 8.240 nan 0.000 0.508 359 N N 1.465 120.126 118.700 -0.065 0.000 2.727 359 N HA -0.182 4.573 4.740 0.025 0.000 0.249 359 N C -1.175 174.283 175.510 -0.086 0.000 1.048 359 N CA 0.301 53.326 53.050 -0.041 0.000 0.714 359 N CB -0.720 37.766 38.487 -0.002 0.000 0.959 359 N HN 0.710 nan 8.380 nan 0.000 0.544 360 Q N 0.998 120.666 119.800 -0.220 0.000 2.347 360 Q HA 0.266 4.621 4.340 0.025 0.000 0.265 360 Q C -0.532 175.240 176.000 -0.381 0.000 1.024 360 Q CA -0.732 54.739 55.803 -0.552 0.000 0.731 360 Q CB 1.592 29.833 28.738 -0.829 0.000 1.245 360 Q HN 0.231 nan 8.270 nan 0.000 0.472 361 M N 2.286 121.804 119.600 -0.137 0.000 2.252 361 M HA 0.104 4.599 4.480 0.025 0.000 0.348 361 M C -0.844 175.445 176.300 -0.018 0.000 1.334 361 M CA 0.590 55.885 55.300 -0.008 0.000 1.071 361 M CB 0.325 32.992 32.600 0.112 0.000 1.763 361 M HN 0.436 nan 8.290 nan 0.000 0.452 362 S N 3.337 119.013 115.700 -0.041 0.000 2.536 362 S HA 0.654 5.139 4.470 0.025 0.000 0.287 362 S C -1.091 173.488 174.600 -0.035 0.000 1.101 362 S CA -0.985 57.189 58.200 -0.043 0.000 0.950 362 S CB 1.808 64.959 63.200 -0.082 0.000 1.056 362 S HN 0.486 nan 8.310 nan 0.000 0.481 363 V N 2.579 122.476 119.914 -0.028 0.000 2.368 363 V HA 0.138 4.273 4.120 0.025 0.000 0.266 363 V C 1.071 177.128 176.094 -0.062 0.000 1.045 363 V CA -0.378 61.900 62.300 -0.037 0.000 0.899 363 V CB 0.202 32.008 31.823 -0.028 0.000 1.006 363 V HN 1.242 nan 8.190 nan 0.000 0.470 364 C N 2.970 122.215 119.300 -0.092 0.000 2.820 364 C HA 0.462 4.937 4.460 0.025 0.000 0.323 364 C C 0.715 175.610 174.990 -0.160 0.000 1.279 364 C CA -0.431 58.515 59.018 -0.120 0.000 1.790 364 C CB -0.530 27.133 27.740 -0.128 0.000 2.328 364 C HN 0.681 nan 8.230 nan 0.000 0.579 365 K N 1.449 121.718 120.400 -0.218 0.000 2.426 365 K HA 0.747 5.082 4.320 0.025 0.000 0.251 365 K C -0.864 175.747 176.600 0.019 0.000 0.941 365 K CA -0.251 55.869 56.287 -0.279 0.000 0.808 365 K CB 2.104 33.988 32.500 -1.026 0.000 1.265 365 K HN 0.578 nan 8.250 nan 0.000 0.432 366 M N 0.945 120.713 119.600 0.281 0.000 2.569 366 M HA 0.640 5.135 4.480 0.025 0.000 0.279 366 M C -1.464 175.207 176.300 0.619 0.000 1.253 366 M CA -1.035 54.510 55.300 0.408 0.000 0.867 366 M CB 1.930 34.610 32.600 0.134 0.000 1.727 366 M HN 0.582 nan 8.290 nan 0.000 0.467 367 F N 1.102 121.253 119.950 0.335 0.000 2.645 367 F HA 0.923 5.465 4.527 0.025 0.000 0.310 367 F C -1.602 174.292 175.800 0.157 0.000 1.102 367 F CA -1.092 57.053 58.000 0.242 0.000 0.952 367 F CB 1.538 40.598 39.000 0.100 0.000 1.326 367 F HN 0.821 nan 8.300 nan 0.000 0.456 368 I N 0.356 121.229 120.570 0.506 0.000 3.145 368 I HA 0.583 4.768 4.170 0.025 0.000 0.313 368 I C -1.029 175.322 176.117 0.389 0.000 1.122 368 I CA -1.408 60.104 61.300 0.354 0.000 0.987 368 I CB 2.151 40.276 38.000 0.209 0.000 1.236 368 I HN 0.498 nan 8.210 nan 0.000 0.453 369 I N 2.517 123.282 120.570 0.325 0.000 2.529 369 I HA 0.073 4.258 4.170 0.025 0.000 0.284 369 I C 0.699 176.914 176.117 0.163 0.000 1.082 369 I CA 0.479 61.910 61.300 0.217 0.000 1.406 369 I CB 0.541 38.665 38.000 0.207 0.000 1.405 369 I HN 0.801 nan 8.210 nan 0.000 0.548 370 D N 4.748 125.211 120.400 0.106 0.000 2.214 370 D HA 0.016 4.671 4.640 0.025 0.000 0.217 370 D C 0.494 176.866 176.300 0.119 0.000 0.973 370 D CA 1.168 55.238 54.000 0.117 0.000 0.880 370 D CB 0.700 41.547 40.800 0.078 0.000 1.031 370 D HN 0.642 nan 8.370 nan 0.000 0.468 371 K N -0.723 119.733 120.400 0.094 0.000 2.562 371 K HA 0.492 4.827 4.320 0.025 0.000 0.267 371 K C -2.153 174.503 176.600 0.094 0.000 0.938 371 K CA -0.792 55.573 56.287 0.130 0.000 0.840 371 K CB 2.021 34.650 32.500 0.216 0.000 1.390 371 K HN -0.167 nan 8.250 nan 0.000 0.428 372 V N 2.081 122.066 119.914 0.119 0.000 2.638 372 V HA 0.491 4.626 4.120 0.025 0.000 0.306 372 V C -1.581 174.601 176.094 0.146 0.000 1.052 372 V CA -0.460 61.893 62.300 0.089 0.000 0.885 372 V CB 1.776 33.633 31.823 0.058 0.000 0.999 372 V HN 0.953 nan 8.190 nan 0.000 0.424 373 D N 2.981 123.491 120.400 0.183 0.000 2.452 373 D HA 0.523 5.178 4.640 0.025 0.000 0.226 373 D C 0.718 177.103 176.300 0.143 0.000 1.366 373 D CA 0.749 54.846 54.000 0.162 0.000 0.986 373 D CB 1.342 42.250 40.800 0.180 0.000 1.420 373 D HN 0.843 nan 8.370 nan 0.000 0.583 374 G N 3.919 112.769 108.800 0.083 0.000 2.693 374 G HA2 -0.441 3.534 3.960 0.025 0.000 0.354 374 G HA3 -0.441 3.534 3.960 0.025 0.000 0.354 374 G C 0.881 175.815 174.900 0.056 0.000 1.207 374 G CA 1.124 46.258 45.100 0.058 0.000 0.958 374 G HN 0.598 nan 8.290 nan 0.000 0.560 375 D N 0.308 120.748 120.400 0.067 0.000 2.355 375 D HA 0.193 4.848 4.640 0.025 0.000 0.218 375 D C 0.731 177.068 176.300 0.061 0.000 1.004 375 D CA 0.157 54.184 54.000 0.045 0.000 0.880 375 D CB -0.008 40.813 40.800 0.036 0.000 0.911 375 D HN 0.179 nan 8.370 nan 0.000 0.528 376 F N 1.541 121.479 119.950 -0.020 0.000 2.424 376 F HA 0.295 4.837 4.527 0.025 0.000 0.356 376 F C -0.499 175.287 175.800 -0.023 0.000 1.110 376 F CA -1.180 56.806 58.000 -0.023 0.000 1.161 376 F CB 0.744 39.734 39.000 -0.017 0.000 1.115 376 F HN -0.173 nan 8.300 nan 0.000 0.507 377 C N 7.131 125.927 119.300 -0.840 0.000 2.381 377 C HA 0.728 5.203 4.460 0.025 0.000 0.328 377 C C -0.629 173.797 174.990 -0.939 0.000 1.190 377 C CA -0.297 58.303 59.018 -0.696 0.000 1.369 377 C CB -0.407 27.125 27.740 -0.346 0.000 2.029 377 C HN 0.962 nan 8.230 nan 0.000 0.448 378 S N 6.447 121.674 115.700 -0.789 0.000 2.608 378 S HA 0.784 5.269 4.470 0.025 0.000 0.291 378 S C -0.704 173.775 174.600 -0.201 0.000 1.146 378 S CA -0.728 57.227 58.200 -0.409 0.000 1.043 378 S CB 1.049 64.161 63.200 -0.147 0.000 1.037 378 S HN 0.789 nan 8.310 nan 0.000 0.520 379 L N 2.184 123.275 121.223 -0.220 0.000 2.334 379 L HA 0.436 4.791 4.340 0.025 0.000 0.277 379 L C 0.015 176.816 176.870 -0.114 0.000 1.075 379 L CA -0.890 53.840 54.840 -0.184 0.000 0.804 379 L CB 0.601 42.379 42.059 -0.469 0.000 1.174 379 L HN 0.653 nan 8.230 nan 0.000 0.438 380 N N 2.487 121.165 118.700 -0.037 0.000 2.408 380 N HA 0.211 4.965 4.740 0.025 0.000 0.257 380 N C -0.639 174.756 175.510 -0.192 0.000 1.064 380 N CA -0.121 52.817 53.050 -0.187 0.000 0.952 380 N CB 1.094 39.484 38.487 -0.161 0.000 1.093 380 N HN 0.566 nan 8.380 nan 0.000 0.490 381 E N 1.616 121.616 120.200 -0.333 0.000 2.214 381 E HA 0.527 4.892 4.350 0.025 0.000 0.274 381 E C -0.778 175.637 176.600 -0.309 0.000 0.977 381 E CA -0.414 55.946 56.400 -0.068 0.000 0.827 381 E CB 1.372 31.120 29.700 0.080 0.000 1.130 381 E HN 0.332 nan 8.360 nan 0.000 0.394 382 F N 0.094 120.127 119.950 0.138 0.000 2.643 382 F HA 0.390 4.932 4.527 0.025 0.000 0.314 382 F C 0.004 175.813 175.800 0.015 0.000 1.096 382 F CA -0.860 57.154 58.000 0.022 0.000 0.953 382 F CB 1.982 40.949 39.000 -0.055 0.000 1.345 382 F HN 0.389 nan 8.300 nan 0.000 0.468 383 S N 0.799 116.616 115.700 0.194 0.000 2.599 383 S HA 0.941 5.426 4.470 0.025 0.000 0.294 383 S C -1.318 173.309 174.600 0.045 0.000 1.094 383 S CA -0.587 57.647 58.200 0.056 0.000 0.931 383 S CB 1.992 65.195 63.200 0.005 0.000 1.093 383 S HN 0.438 nan 8.310 nan 0.000 0.488 384 I N 1.783 122.345 120.570 -0.012 0.000 2.569 384 I HA 0.449 4.634 4.170 0.025 0.000 0.290 384 I C 0.462 176.556 176.117 -0.039 0.000 1.088 384 I CA -0.358 60.928 61.300 -0.024 0.000 1.047 384 I CB 2.443 40.417 38.000 -0.043 0.000 1.237 384 I HN 0.974 nan 8.210 nan 0.000 0.421 385 T N 1.354 115.889 114.554 -0.032 0.000 2.888 385 T HA 0.922 5.287 4.350 0.025 0.000 0.283 385 T C 0.339 175.014 174.700 -0.042 0.000 1.013 385 T CA -0.407 61.671 62.100 -0.038 0.000 0.938 385 T CB 1.299 70.150 68.868 -0.027 0.000 1.298 385 T HN 1.542 nan 8.240 nan 0.000 0.580 386 G N -0.197 108.578 108.800 -0.041 0.000 2.895 386 G HA2 0.179 4.153 3.960 0.025 0.000 0.686 386 G HA3 0.179 4.153 3.960 0.025 0.000 0.686 386 G C 0.014 174.878 174.900 -0.059 0.000 1.108 386 G CA -0.184 44.890 45.100 -0.043 0.000 0.761 386 G HN 1.703 nan 8.290 nan 0.000 0.611 387 S N -0.866 114.793 115.700 -0.067 0.000 2.952 387 S HA 0.571 5.056 4.470 0.025 0.000 0.251 387 S C 0.776 175.292 174.600 -0.141 0.000 1.021 387 S CA 0.808 58.948 58.200 -0.099 0.000 1.067 387 S CB 0.457 63.603 63.200 -0.089 0.000 1.002 387 S HN 1.987 nan 8.310 nan 0.000 0.574 388 T N -1.791 112.694 114.554 -0.115 0.000 2.870 388 T HA 0.570 4.935 4.350 0.025 0.000 0.277 388 T C 0.284 174.891 174.700 -0.155 0.000 1.000 388 T CA -0.618 61.382 62.100 -0.167 0.000 0.982 388 T CB 0.336 69.179 68.868 -0.043 0.000 1.249 388 T HN -0.018 nan 8.240 nan 0.000 0.589 389 Y N 0.432 120.753 120.300 0.035 0.000 2.544 389 Y HA 0.467 5.032 4.550 0.025 0.000 0.286 389 Y C 1.921 177.791 175.900 -0.049 0.000 1.141 389 Y CA -0.332 57.777 58.100 0.015 0.000 1.299 389 Y CB -1.023 37.476 38.460 0.064 0.000 1.030 389 Y HN 0.837 nan 8.280 nan 0.000 0.543 390 A N 2.707 125.603 122.820 0.128 0.000 2.540 390 A HA 0.108 4.443 4.320 0.025 0.000 0.239 390 A C -1.936 175.508 177.584 -0.233 0.000 1.061 390 A CA -0.846 51.111 52.037 -0.132 0.000 0.758 390 A CB -0.364 18.723 19.000 0.145 0.000 0.991 390 A HN 0.096 nan 8.150 nan 0.000 0.502 391 P HA 0.284 nan 4.420 nan 0.000 0.219 391 P C -0.855 176.355 177.300 -0.149 0.000 1.832 391 P CA 0.247 63.198 63.100 -0.249 0.000 1.014 391 P CB -0.097 31.424 31.700 -0.299 0.000 1.939 392 E N 0.556 120.699 120.200 -0.095 0.000 2.260 392 E HA 0.678 5.043 4.350 0.025 0.000 0.266 392 E C -0.329 176.249 176.600 -0.038 0.000 0.887 392 E CA -0.609 55.761 56.400 -0.049 0.000 0.777 392 E CB 1.850 31.539 29.700 -0.018 0.000 1.205 392 E HN 0.398 nan 8.360 nan 0.000 0.414 393 G N 2.189 110.970 108.800 -0.032 0.000 2.350 393 G HA2 0.278 4.253 3.960 0.025 0.000 0.304 393 G HA3 0.278 4.253 3.960 0.025 0.000 0.304 393 G C -1.599 173.285 174.900 -0.028 0.000 1.421 393 G CA -0.853 44.228 45.100 -0.031 0.000 0.934 393 G HN 0.417 nan 8.290 nan 0.000 0.632 394 E N -1.637 118.550 120.200 -0.022 0.000 2.429 394 E HA 0.696 5.060 4.350 0.025 0.000 0.276 394 E C -1.065 175.528 176.600 -0.011 0.000 0.953 394 E CA -0.668 55.724 56.400 -0.014 0.000 0.787 394 E CB 2.626 32.326 29.700 0.001 0.000 1.307 394 E HN 0.615 nan 8.360 nan 0.000 0.458 395 V N 3.242 123.154 119.914 -0.004 0.000 2.398 395 V HA 0.463 4.598 4.120 0.025 0.000 0.286 395 V C -0.529 175.614 176.094 0.082 0.000 1.026 395 V CA -0.602 61.703 62.300 0.009 0.000 0.868 395 V CB 0.872 32.655 31.823 -0.067 0.000 0.982 395 V HN 0.497 nan 8.190 nan 0.000 0.443 396 L N 4.519 125.815 121.223 0.123 0.000 2.346 396 L HA 0.653 5.008 4.340 0.025 0.000 0.276 396 L C -0.244 176.741 176.870 0.193 0.000 1.006 396 L CA -0.676 54.244 54.840 0.133 0.000 0.817 396 L CB 2.017 44.115 42.059 0.066 0.000 1.272 396 L HN 0.524 nan 8.230 nan 0.000 0.421 397 K N 3.444 123.923 120.400 0.130 0.000 2.425 397 K HA 0.312 4.647 4.320 0.025 0.000 0.259 397 K C -0.324 176.261 176.600 -0.024 0.000 0.978 397 K CA -0.346 55.914 56.287 -0.046 0.000 0.883 397 K CB 0.527 32.924 32.500 -0.172 0.000 1.110 397 K HN 0.728 nan 8.250 nan 0.000 0.436 398 N N 3.565 122.242 118.700 -0.039 0.000 2.878 398 N HA -0.184 4.571 4.740 0.025 0.000 0.247 398 N C -0.969 174.542 175.510 0.002 0.000 1.021 398 N CA 1.346 54.386 53.050 -0.017 0.000 0.873 398 N CB -0.899 37.579 38.487 -0.015 0.000 1.128 398 N HN 0.963 nan 8.380 nan 0.000 0.571 399 D N -2.015 118.392 120.400 0.012 0.000 3.006 399 D HA -0.151 4.504 4.640 0.025 0.000 0.205 399 D C -0.171 176.144 176.300 0.025 0.000 1.075 399 D CA 1.241 55.251 54.000 0.017 0.000 1.000 399 D CB -1.043 39.762 40.800 0.007 0.000 1.097 399 D HN 0.556 nan 8.370 nan 0.000 0.426 400 K N 0.859 121.279 120.400 0.034 0.000 2.110 400 K HA 0.490 4.825 4.320 0.025 0.000 0.263 400 K C -2.532 174.110 176.600 0.069 0.000 0.975 400 K CA -1.503 54.811 56.287 0.045 0.000 0.895 400 K CB 1.435 33.962 32.500 0.046 0.000 1.060 400 K HN -0.102 nan 8.250 nan 0.000 0.448 401 P HA 0.205 nan 4.420 nan 0.000 0.278 401 P C -0.625 176.743 177.300 0.113 0.000 1.238 401 P CA -0.337 62.809 63.100 0.077 0.000 0.794 401 P CB 0.438 32.169 31.700 0.052 0.000 0.955 402 I N -1.527 119.127 120.570 0.140 0.000 3.042 402 I HA 0.569 4.754 4.170 0.025 0.000 0.310 402 I C -0.205 175.993 176.117 0.135 0.000 1.117 402 I CA -1.477 59.937 61.300 0.191 0.000 1.003 402 I CB 1.787 40.010 38.000 0.372 0.000 1.228 402 I HN -0.003 nan 8.210 nan 0.000 0.443 403 R N 2.104 122.691 120.500 0.145 0.000 2.309 403 R HA 0.258 4.613 4.340 0.025 0.000 0.331 403 R C 0.670 177.058 176.300 0.147 0.000 1.116 403 R CA -0.001 56.157 56.100 0.095 0.000 0.970 403 R CB 0.640 30.975 30.300 0.058 0.000 1.024 403 R HN 0.891 nan 8.270 nan 0.000 0.472 404 S N 2.127 117.849 115.700 0.036 0.000 2.380 404 S HA -0.183 4.302 4.470 0.025 0.000 0.229 404 S C 1.865 176.480 174.600 0.024 0.000 1.043 404 S CA 1.678 59.860 58.200 -0.029 0.000 1.038 404 S CB -0.032 63.052 63.200 -0.194 0.000 0.872 404 S HN 0.877 nan 8.310 nan 0.000 0.456 405 G N 0.345 109.118 108.800 -0.046 0.000 2.625 405 G HA2 -0.119 3.855 3.960 0.025 0.000 0.214 405 G HA3 -0.119 3.855 3.960 0.025 0.000 0.214 405 G C 1.177 176.046 174.900 -0.052 0.000 1.132 405 G CA 0.109 45.148 45.100 -0.101 0.000 0.782 405 G HN 0.491 nan 8.290 nan 0.000 0.538 406 Q N -0.859 118.923 119.800 -0.030 0.000 2.311 406 Q HA 0.113 4.468 4.340 0.025 0.000 0.203 406 Q C -0.174 175.660 176.000 -0.277 0.000 0.954 406 Q CA 0.143 55.846 55.803 -0.168 0.000 0.885 406 Q CB 0.132 28.711 28.738 -0.265 0.000 0.963 406 Q HN 0.540 nan 8.270 nan 0.000 0.471 407 F N 1.020 120.962 119.950 -0.013 0.000 2.404 407 F HA 0.106 4.648 4.527 0.025 0.000 0.358 407 F C 1.018 176.796 175.800 -0.036 0.000 1.120 407 F CA -0.720 57.289 58.000 0.016 0.000 1.144 407 F CB 0.841 39.890 39.000 0.082 0.000 1.133 407 F HN -0.099 nan 8.300 nan 0.000 0.495 408 D N 3.024 123.484 120.400 0.100 0.000 2.116 408 D HA -0.188 4.467 4.640 0.025 0.000 0.193 408 D C 2.328 178.646 176.300 0.031 0.000 0.998 408 D CA 1.719 55.745 54.000 0.042 0.000 0.836 408 D CB -0.260 40.564 40.800 0.040 0.000 0.951 408 D HN 0.824 nan 8.370 nan 0.000 0.449 409 G N 1.179 110.026 108.800 0.079 0.000 2.503 409 G HA2 -0.256 3.718 3.960 0.025 0.000 0.221 409 G HA3 -0.256 3.718 3.960 0.025 0.000 0.221 409 G C 1.819 176.706 174.900 -0.023 0.000 1.131 409 G CA 0.503 45.632 45.100 0.049 0.000 0.756 409 G HN 0.274 nan 8.290 nan 0.000 0.572 410 L N 0.097 121.305 121.223 -0.026 0.000 2.109 410 L HA -0.050 4.305 4.340 0.025 0.000 0.207 410 L C 3.010 179.763 176.870 -0.194 0.000 1.086 410 L CA 0.312 55.056 54.840 -0.160 0.000 0.760 410 L CB -0.463 41.445 42.059 -0.253 0.000 0.910 410 L HN 0.113 nan 8.230 nan 0.000 0.437 411 V N 0.097 119.902 119.914 -0.181 0.000 2.287 411 V HA -0.330 3.805 4.120 0.025 0.000 0.248 411 V C 2.442 178.401 176.094 -0.226 0.000 1.053 411 V CA 2.161 64.296 62.300 -0.276 0.000 1.027 411 V CB -0.500 31.171 31.823 -0.253 0.000 0.646 411 V HN 0.496 nan 8.190 nan 0.000 0.447 412 E N -0.180 119.930 120.200 -0.150 0.000 2.072 412 E HA -0.211 4.154 4.350 0.025 0.000 0.191 412 E C 2.208 178.677 176.600 -0.217 0.000 0.985 412 E CA 1.097 57.403 56.400 -0.157 0.000 0.801 412 E CB -0.144 29.505 29.700 -0.084 0.000 0.750 412 E HN 0.410 nan 8.360 nan 0.000 0.452 413 L N 1.285 122.392 121.223 -0.194 0.000 2.013 413 L HA -0.160 4.195 4.340 0.025 0.000 0.212 413 L C 2.219 178.959 176.870 -0.217 0.000 1.073 413 L CA 2.556 57.272 54.840 -0.206 0.000 0.753 413 L CB -1.580 40.365 42.059 -0.189 0.000 0.890 413 L HN 0.149 nan 8.230 nan 0.000 0.432 414 A N -0.996 121.689 122.820 -0.225 0.000 1.933 414 A HA -0.192 4.143 4.320 0.025 0.000 0.218 414 A C 2.220 179.669 177.584 -0.226 0.000 1.175 414 A CA 2.249 54.157 52.037 -0.214 0.000 0.628 414 A CB -1.178 17.680 19.000 -0.236 0.000 0.814 414 A HN 0.564 nan 8.150 nan 0.000 0.444 415 T N 0.569 114.958 114.554 -0.276 0.000 2.652 415 T HA -0.171 4.194 4.350 0.025 0.000 0.267 415 T C 1.796 176.198 174.700 -0.497 0.000 1.039 415 T CA 1.739 63.628 62.100 -0.352 0.000 1.153 415 T CB -0.490 68.135 68.868 -0.405 0.000 0.863 415 T HN 0.447 nan 8.240 nan 0.000 0.428 416 I N 0.812 121.057 120.570 -0.541 0.000 2.208 416 I HA -0.216 3.969 4.170 0.025 0.000 0.245 416 I C 2.648 178.634 176.117 -0.219 0.000 1.097 416 I CA 0.960 62.002 61.300 -0.430 0.000 1.363 416 I CB -0.527 37.314 38.000 -0.266 0.000 1.051 416 I HN 0.345 nan 8.210 nan 0.000 0.413 417 C N 0.621 119.812 119.300 -0.182 0.000 2.419 417 C HA -0.059 4.416 4.460 0.025 0.000 0.281 417 C C 3.028 177.959 174.990 -0.098 0.000 1.336 417 C CA 0.881 59.831 59.018 -0.115 0.000 1.770 417 C CB -1.308 26.369 27.740 -0.106 0.000 1.929 417 C HN 0.602 nan 8.230 nan 0.000 0.509 418 A N -0.109 122.636 122.820 -0.124 0.000 1.943 418 A HA 0.179 4.514 4.320 0.025 0.000 0.213 418 A C 2.042 179.587 177.584 -0.064 0.000 1.181 418 A CA 0.789 52.776 52.037 -0.083 0.000 0.653 418 A CB -0.303 18.651 19.000 -0.076 0.000 0.833 418 A HN 0.542 nan 8.150 nan 0.000 0.451 419 L N -1.274 119.892 121.223 -0.094 0.000 2.127 419 L HA -0.016 4.339 4.340 0.025 0.000 0.203 419 L C 1.453 178.333 176.870 0.016 0.000 1.080 419 L CA 0.387 55.209 54.840 -0.030 0.000 0.768 419 L CB -0.336 41.715 42.059 -0.014 0.000 0.924 419 L HN 0.400 nan 8.230 nan 0.000 0.444 420 C N 2.585 121.890 119.300 0.008 0.000 2.861 420 C HA 0.293 4.768 4.460 0.025 0.000 0.542 420 C C 0.189 175.197 174.990 0.029 0.000 1.074 420 C CA -0.320 58.725 59.018 0.044 0.000 1.232 420 C CB -2.359 25.416 27.740 0.058 0.000 1.433 420 C HN 0.364 nan 8.230 nan 0.000 0.606 421 N N 1.417 120.132 118.700 0.027 0.000 2.554 421 N HA 0.211 4.966 4.740 0.025 0.000 0.271 421 N C -0.813 174.709 175.510 0.020 0.000 1.081 421 N CA -0.195 52.865 53.050 0.016 0.000 0.994 421 N CB 1.491 39.974 38.487 -0.006 0.000 1.641 421 N HN 0.358 nan 8.380 nan 0.000 0.511 422 D N 0.603 121.016 120.400 0.021 0.000 2.440 422 D HA 0.239 4.894 4.640 0.025 0.000 0.216 422 D C -0.144 176.160 176.300 0.006 0.000 1.150 422 D CA 0.284 54.297 54.000 0.021 0.000 0.832 422 D CB 0.662 41.482 40.800 0.033 0.000 0.992 422 D HN 0.329 nan 8.370 nan 0.000 0.502 423 S N -0.495 115.201 115.700 -0.007 0.000 2.801 423 S HA 0.787 5.272 4.470 0.025 0.000 0.312 423 S C 0.252 174.835 174.600 -0.028 0.000 1.112 423 S CA -0.581 57.604 58.200 -0.025 0.000 0.943 423 S CB 2.111 65.283 63.200 -0.046 0.000 1.269 423 S HN 0.225 nan 8.310 nan 0.000 0.558 424 S N -0.734 114.940 115.700 -0.044 0.000 2.755 424 S HA 0.759 5.244 4.470 0.025 0.000 0.286 424 S C -2.092 172.478 174.600 -0.051 0.000 1.207 424 S CA -0.659 57.522 58.200 -0.032 0.000 0.892 424 S CB 0.670 63.866 63.200 -0.007 0.000 1.240 424 S HN 0.469 nan 8.310 nan 0.000 0.525 425 L N 1.277 122.494 121.223 -0.009 0.000 2.370 425 L HA 0.847 5.202 4.340 0.025 0.000 0.266 425 L C -1.678 175.259 176.870 0.111 0.000 1.002 425 L CA -0.024 54.829 54.840 0.023 0.000 0.818 425 L CB 1.888 43.966 42.059 0.032 0.000 1.325 425 L HN 1.013 nan 8.230 nan 0.000 0.418 426 D N 1.751 122.247 120.400 0.159 0.000 2.780 426 D HA 0.332 4.987 4.640 0.025 0.000 0.242 426 D C -1.587 174.872 176.300 0.265 0.000 1.135 426 D CA -0.271 53.835 54.000 0.176 0.000 0.859 426 D CB 1.303 42.146 40.800 0.071 0.000 1.530 426 D HN 0.240 nan 8.370 nan 0.000 0.493 427 F N 3.723 123.687 119.950 0.024 0.000 2.411 427 F HA 0.379 4.921 4.527 0.025 0.000 0.350 427 F C -0.001 175.706 175.800 -0.155 0.000 1.114 427 F CA -0.789 57.068 58.000 -0.240 0.000 1.135 427 F CB 0.756 39.522 39.000 -0.390 0.000 1.120 427 F HN 0.257 nan 8.300 nan 0.000 0.495 428 N N 5.556 123.830 118.700 -0.710 0.000 2.469 428 N HA 0.058 4.813 4.740 0.025 0.000 0.239 428 N C 0.457 175.505 175.510 -0.769 0.000 1.053 428 N CA 0.102 52.825 53.050 -0.544 0.000 0.937 428 N CB 0.550 38.812 38.487 -0.375 0.000 1.163 428 N HN 0.781 nan 8.380 nan 0.000 0.509 429 E N 1.275 121.194 120.200 -0.469 0.000 2.208 429 E HA -0.082 4.283 4.350 0.025 0.000 0.193 429 E C 1.034 177.489 176.600 -0.240 0.000 0.988 429 E CA 1.113 57.306 56.400 -0.346 0.000 0.828 429 E CB 0.238 29.907 29.700 -0.052 0.000 0.763 429 E HN 0.581 nan 8.360 nan 0.000 0.478 430 T N 1.693 116.128 114.554 -0.198 0.000 2.674 430 T HA -0.115 4.249 4.350 0.025 0.000 0.265 430 T C 1.604 176.213 174.700 -0.153 0.000 1.039 430 T CA 1.079 63.099 62.100 -0.135 0.000 1.150 430 T CB -0.073 68.734 68.868 -0.101 0.000 0.864 430 T HN 0.101 nan 8.240 nan 0.000 0.427 431 K N 0.695 120.969 120.400 -0.210 0.000 2.487 431 K HA 0.244 4.578 4.320 0.025 0.000 0.192 431 K C 1.559 178.026 176.600 -0.222 0.000 1.027 431 K CA 0.388 56.568 56.287 -0.179 0.000 1.054 431 K CB 0.074 32.478 32.500 -0.159 0.000 0.824 431 K HN 0.423 nan 8.250 nan 0.000 0.510 432 G N 2.298 110.878 108.800 -0.366 0.000 2.269 432 G HA2 -0.280 3.695 3.960 0.025 0.000 0.277 432 G HA3 -0.280 3.695 3.960 0.025 0.000 0.277 432 G C 0.220 174.960 174.900 -0.266 0.000 1.008 432 G CA 0.817 45.713 45.100 -0.341 0.000 0.774 432 G HN 0.312 nan 8.290 nan 0.000 0.511 433 V N -3.942 115.702 119.914 -0.451 0.000 3.001 433 V HA 0.846 4.981 4.120 0.025 0.000 0.314 433 V C 0.106 176.082 176.094 -0.196 0.000 1.099 433 V CA -2.499 59.720 62.300 -0.134 0.000 0.989 433 V CB 1.431 33.254 31.823 -0.000 0.000 1.040 433 V HN 0.236 nan 8.190 nan 0.000 0.434 434 Y N 1.125 121.592 120.300 0.278 0.000 2.336 434 Y HA 0.601 5.166 4.550 0.025 0.000 0.331 434 Y C 0.797 176.816 175.900 0.199 0.000 1.211 434 Y CA 0.264 58.526 58.100 0.270 0.000 1.346 434 Y CB 0.786 39.422 38.460 0.294 0.000 1.271 434 Y HN 0.715 nan 8.280 nan 0.000 0.538 435 E N 1.656 122.030 120.200 0.290 0.000 2.356 435 E HA 0.252 4.617 4.350 0.025 0.000 0.275 435 E C -1.294 175.285 176.600 -0.036 0.000 0.904 435 E CA -1.376 55.116 56.400 0.154 0.000 0.757 435 E CB 2.301 32.039 29.700 0.064 0.000 1.232 435 E HN 0.501 nan 8.360 nan 0.000 0.442 436 K N 0.280 120.529 120.400 -0.253 0.000 2.202 436 K HA 0.406 4.741 4.320 0.025 0.000 0.264 436 K C -0.726 175.774 176.600 -0.166 0.000 1.010 436 K CA -0.460 55.566 56.287 -0.435 0.000 0.940 436 K CB 0.880 32.940 32.500 -0.733 0.000 0.983 436 K HN 0.141 nan 8.250 nan 0.000 0.475 437 V N 2.462 122.298 119.914 -0.130 0.000 2.378 437 V HA 0.537 4.672 4.120 0.025 0.000 0.288 437 V C 0.522 176.577 176.094 -0.065 0.000 1.016 437 V CA 0.410 62.669 62.300 -0.068 0.000 0.840 437 V CB 0.128 31.930 31.823 -0.035 0.000 0.994 437 V HN 1.204 nan 8.190 nan 0.000 0.431 438 G N 5.057 113.829 108.800 -0.046 0.000 2.512 438 G HA2 -0.138 3.837 3.960 0.025 0.000 0.210 438 G HA3 -0.138 3.837 3.960 0.025 0.000 0.210 438 G C -0.433 174.442 174.900 -0.042 0.000 1.295 438 G CA -0.482 44.598 45.100 -0.033 0.000 0.934 438 G HN 0.664 nan 8.290 nan 0.000 0.554 439 E N 0.689 120.869 120.200 -0.032 0.000 2.313 439 E HA 0.478 4.842 4.350 0.025 0.000 0.276 439 E C 1.531 178.115 176.600 -0.026 0.000 1.031 439 E CA 0.104 56.490 56.400 -0.022 0.000 0.857 439 E CB 1.312 31.002 29.700 -0.017 0.000 1.040 439 E HN 0.947 nan 8.360 nan 0.000 0.408 440 A N 2.840 125.667 122.820 0.013 0.000 1.892 440 A HA -0.250 4.085 4.320 0.025 0.000 0.218 440 A C 2.188 179.828 177.584 0.094 0.000 1.188 440 A CA 2.462 54.549 52.037 0.084 0.000 0.631 440 A CB -1.130 17.974 19.000 0.173 0.000 0.822 440 A HN 0.791 nan 8.150 nan 0.000 0.447 441 T N -2.328 112.259 114.554 0.055 0.000 2.881 441 T HA -0.120 4.245 4.350 0.025 0.000 0.270 441 T C 1.528 176.247 174.700 0.031 0.000 1.068 441 T CA 1.590 63.717 62.100 0.045 0.000 1.131 441 T CB -0.271 68.612 68.868 0.024 0.000 0.871 441 T HN 0.658 nan 8.240 nan 0.000 0.479 442 E N 0.614 120.820 120.200 0.009 0.000 2.140 442 E HA -0.002 4.363 4.350 0.025 0.000 0.191 442 E C 2.280 178.871 176.600 -0.016 0.000 0.973 442 E CA 0.986 57.385 56.400 -0.003 0.000 0.829 442 E CB -0.069 29.626 29.700 -0.008 0.000 0.781 442 E HN 0.471 nan 8.360 nan 0.000 0.466 443 T N 1.188 115.716 114.554 -0.042 0.000 2.929 443 T HA -0.106 4.259 4.350 0.025 0.000 0.271 443 T C 1.895 176.602 174.700 0.011 0.000 1.085 443 T CA 0.929 62.970 62.100 -0.098 0.000 1.125 443 T CB -0.080 68.587 68.868 -0.336 0.000 0.874 443 T HN 0.183 nan 8.240 nan 0.000 0.494 444 A N 1.573 124.448 122.820 0.092 0.000 1.902 444 A HA 0.026 4.361 4.320 0.025 0.000 0.217 444 A C 2.267 179.877 177.584 0.043 0.000 1.181 444 A CA 1.043 53.153 52.037 0.122 0.000 0.623 444 A CB -0.766 18.296 19.000 0.104 0.000 0.818 444 A HN 0.471 nan 8.150 nan 0.000 0.443 445 L N -0.524 120.706 121.223 0.012 0.000 2.042 445 L HA -0.199 4.156 4.340 0.025 0.000 0.210 445 L C 2.801 179.652 176.870 -0.030 0.000 1.076 445 L CA 1.912 56.741 54.840 -0.018 0.000 0.749 445 L CB -1.253 40.792 42.059 -0.023 0.000 0.893 445 L HN 0.390 nan 8.230 nan 0.000 0.432 446 T N -1.173 113.366 114.554 -0.025 0.000 2.643 446 T HA -0.175 4.190 4.350 0.025 0.000 0.264 446 T C 1.910 176.588 174.700 -0.037 0.000 1.045 446 T CA 1.976 64.055 62.100 -0.036 0.000 1.155 446 T CB -0.440 68.402 68.868 -0.043 0.000 0.863 446 T HN 0.330 nan 8.240 nan 0.000 0.420 447 T N 2.727 117.273 114.554 -0.013 0.000 2.665 447 T HA -0.104 4.261 4.350 0.025 0.000 0.268 447 T C 1.917 176.592 174.700 -0.041 0.000 1.035 447 T CA 1.118 63.206 62.100 -0.020 0.000 1.151 447 T CB -0.646 68.257 68.868 0.057 0.000 0.862 447 T HN 0.104 nan 8.240 nan 0.000 0.438 448 L N 1.433 122.637 121.223 -0.032 0.000 1.978 448 L HA -0.152 4.203 4.340 0.025 0.000 0.218 448 L C 2.495 179.318 176.870 -0.079 0.000 1.075 448 L CA 1.731 56.536 54.840 -0.058 0.000 0.767 448 L CB -0.985 41.039 42.059 -0.058 0.000 0.890 448 L HN 0.114 nan 8.230 nan 0.000 0.434 449 V N -0.166 119.700 119.914 -0.079 0.000 2.332 449 V HA -0.278 3.857 4.120 0.025 0.000 0.248 449 V C 2.669 178.714 176.094 -0.082 0.000 1.055 449 V CA 1.959 64.204 62.300 -0.091 0.000 1.038 449 V CB -0.741 31.034 31.823 -0.080 0.000 0.651 449 V HN 0.502 nan 8.190 nan 0.000 0.450 450 E N 0.131 120.287 120.200 -0.073 0.000 2.072 450 E HA -0.190 4.175 4.350 0.025 0.000 0.191 450 E C 2.235 178.789 176.600 -0.078 0.000 0.985 450 E CA 1.141 57.497 56.400 -0.074 0.000 0.801 450 E CB -0.225 29.419 29.700 -0.094 0.000 0.750 450 E HN 0.595 nan 8.360 nan 0.000 0.452 451 K N 0.181 120.532 120.400 -0.081 0.000 2.025 451 K HA 0.003 4.338 4.320 0.025 0.000 0.207 451 K C 2.318 178.869 176.600 -0.082 0.000 1.049 451 K CA 1.220 57.462 56.287 -0.076 0.000 0.933 451 K CB -0.144 32.313 32.500 -0.071 0.000 0.714 451 K HN 0.063 nan 8.250 nan 0.000 0.438 452 M N 0.638 120.176 119.600 -0.104 0.000 2.106 452 M HA -0.171 4.323 4.480 0.025 0.000 0.259 452 M C 0.711 176.946 176.300 -0.109 0.000 1.068 452 M CA 0.847 56.070 55.300 -0.129 0.000 1.100 452 M CB -0.694 31.801 32.600 -0.174 0.000 1.351 452 M HN 0.165 nan 8.290 nan 0.000 0.404 453 N N 1.027 119.672 118.700 -0.091 0.000 2.698 453 N HA -0.137 4.617 4.740 0.025 0.000 0.258 453 N C 0.534 175.986 175.510 -0.096 0.000 0.978 453 N CA 0.680 53.692 53.050 -0.063 0.000 0.777 453 N CB -0.690 37.777 38.487 -0.034 0.000 0.907 453 N HN 0.436 nan 8.380 nan 0.000 0.543 454 V N -2.913 116.878 119.914 -0.205 0.000 2.828 454 V HA -0.126 4.009 4.120 0.025 0.000 0.260 454 V C 1.464 177.303 176.094 -0.425 0.000 1.101 454 V CA 1.676 63.761 62.300 -0.359 0.000 1.123 454 V CB -0.788 30.710 31.823 -0.542 0.000 0.704 454 V HN 0.242 nan 8.190 nan 0.000 0.493 455 F N 1.273 121.201 119.950 -0.037 0.000 2.639 455 F HA 0.500 5.042 4.527 0.025 0.000 0.302 455 F C 1.126 176.911 175.800 -0.025 0.000 1.097 455 F CA -0.843 57.139 58.000 -0.030 0.000 1.294 455 F CB -0.600 38.381 39.000 -0.032 0.000 1.027 455 F HN 0.221 nan 8.300 nan 0.000 0.550 456 N N -0.004 118.762 118.700 0.109 0.000 2.741 456 N HA -0.174 4.581 4.740 0.025 0.000 0.250 456 N C -0.063 175.490 175.510 0.072 0.000 1.115 456 N CA 1.014 54.106 53.050 0.071 0.000 0.724 456 N CB -1.872 36.656 38.487 0.068 0.000 1.090 456 N HN 0.138 nan 8.380 nan 0.000 0.558 457 T N 0.950 115.556 114.554 0.087 0.000 2.940 457 T HA 0.044 4.409 4.350 0.025 0.000 0.309 457 T C 0.760 175.476 174.700 0.027 0.000 1.056 457 T CA 0.138 62.272 62.100 0.056 0.000 1.137 457 T CB 1.230 70.136 68.868 0.063 0.000 0.976 457 T HN 0.078 nan 8.240 nan 0.000 0.547 458 E N 1.798 122.008 120.200 0.016 0.000 2.194 458 E HA 0.319 4.684 4.350 0.025 0.000 0.284 458 E C 0.503 177.104 176.600 0.002 0.000 1.035 458 E CA -0.338 56.067 56.400 0.007 0.000 0.836 458 E CB 0.487 30.190 29.700 0.004 0.000 1.070 458 E HN 0.435 nan 8.360 nan 0.000 0.401 459 V N 2.109 122.022 119.914 -0.003 0.000 3.426 459 V HA 0.270 4.405 4.120 0.025 0.000 0.279 459 V C 1.904 177.991 176.094 -0.013 0.000 1.544 459 V CA 0.449 62.743 62.300 -0.009 0.000 1.017 459 V CB -0.054 31.760 31.823 -0.015 0.000 0.821 459 V HN 0.604 nan 8.190 nan 0.000 0.432 460 R N 1.918 122.413 120.500 -0.010 0.000 2.140 460 R HA -0.193 4.162 4.340 0.025 0.000 0.250 460 R C 1.574 177.867 176.300 -0.012 0.000 1.150 460 R CA 2.680 58.774 56.100 -0.010 0.000 0.966 460 R CB -0.280 30.017 30.300 -0.005 0.000 0.869 460 R HN 0.650 nan 8.270 nan 0.000 0.445 461 N N -0.046 118.648 118.700 -0.010 0.000 2.230 461 N HA 0.082 4.836 4.740 0.025 0.000 0.202 461 N C -0.429 175.073 175.510 -0.014 0.000 1.119 461 N CA 0.073 53.116 53.050 -0.011 0.000 0.851 461 N CB 0.465 38.948 38.487 -0.007 0.000 0.990 461 N HN 0.194 nan 8.380 nan 0.000 0.497 462 L N 1.580 122.793 121.223 -0.017 0.000 2.397 462 L HA 0.119 4.474 4.340 0.025 0.000 0.271 462 L C 1.067 177.917 176.870 -0.032 0.000 1.148 462 L CA -0.401 54.428 54.840 -0.018 0.000 0.825 462 L CB 0.667 42.718 42.059 -0.014 0.000 1.117 462 L HN 0.079 nan 8.230 nan 0.000 0.456 463 S N 2.085 117.765 115.700 -0.033 0.000 2.566 463 S HA 0.024 4.508 4.470 0.025 0.000 0.280 463 S C 0.937 175.474 174.600 -0.106 0.000 1.343 463 S CA -0.473 57.690 58.200 -0.061 0.000 1.036 463 S CB 0.678 63.857 63.200 -0.035 0.000 0.866 463 S HN 0.621 nan 8.310 nan 0.000 0.526 464 K N 0.727 120.985 120.400 -0.237 0.000 2.160 464 K HA -0.139 4.195 4.320 0.025 0.000 0.206 464 K C 2.111 178.520 176.600 -0.319 0.000 1.047 464 K CA 1.531 57.541 56.287 -0.462 0.000 0.930 464 K CB -0.914 30.809 32.500 -1.295 0.000 0.720 464 K HN 0.670 nan 8.250 nan 0.000 0.450 465 V N 0.170 120.005 119.914 -0.131 0.000 2.358 465 V HA -0.191 3.944 4.120 0.025 0.000 0.246 465 V C 1.863 178.003 176.094 0.077 0.000 1.047 465 V CA 1.856 64.199 62.300 0.072 0.000 1.035 465 V CB -0.267 31.643 31.823 0.145 0.000 0.658 465 V HN 0.184 nan 8.190 nan 0.000 0.452 466 E N 0.278 120.497 120.200 0.033 0.000 2.265 466 E HA -0.196 4.169 4.350 0.025 0.000 0.196 466 E C 2.220 178.842 176.600 0.036 0.000 0.996 466 E CA 1.284 57.703 56.400 0.032 0.000 0.832 466 E CB -0.143 29.563 29.700 0.011 0.000 0.756 466 E HN 0.736 nan 8.360 nan 0.000 0.491 467 R N -0.188 120.337 120.500 0.042 0.000 2.210 467 R HA 0.144 4.499 4.340 0.025 0.000 0.203 467 R C 1.862 178.180 176.300 0.029 0.000 1.010 467 R CA 1.144 57.258 56.100 0.023 0.000 1.008 467 R CB -0.308 29.994 30.300 0.005 0.000 0.923 467 R HN 0.091 nan 8.270 nan 0.000 0.469 468 A N 0.710 123.617 122.820 0.144 0.000 1.986 468 A HA -0.145 4.190 4.320 0.025 0.000 0.220 468 A C 1.225 178.831 177.584 0.037 0.000 1.171 468 A CA 1.818 53.941 52.037 0.143 0.000 0.640 468 A CB -0.303 18.894 19.000 0.329 0.000 0.811 468 A HN 0.553 nan 8.150 nan 0.000 0.451 469 N N -2.101 116.620 118.700 0.035 0.000 2.307 469 N HA 0.301 5.056 4.740 0.025 0.000 0.248 469 N C 1.139 176.654 175.510 0.008 0.000 1.322 469 N CA 0.650 53.708 53.050 0.014 0.000 0.861 469 N CB 0.685 39.187 38.487 0.024 0.000 1.303 469 N HN 0.363 nan 8.380 nan 0.000 0.498 470 A N 0.579 123.401 122.820 0.005 0.000 1.873 470 A HA -0.207 4.128 4.320 0.025 0.000 0.218 470 A C 2.333 179.924 177.584 0.012 0.000 1.193 470 A CA 1.635 53.676 52.037 0.006 0.000 0.629 470 A CB -0.864 18.137 19.000 0.001 0.000 0.826 470 A HN 0.466 nan 8.150 nan 0.000 0.447 471 C N -0.293 119.011 119.300 0.007 0.000 2.440 471 C HA -0.053 4.422 4.460 0.025 0.000 0.278 471 C C 2.610 177.620 174.990 0.032 0.000 1.295 471 C CA 0.681 59.714 59.018 0.026 0.000 1.738 471 C CB -1.664 26.081 27.740 0.009 0.000 1.987 471 C HN 0.621 nan 8.230 nan 0.000 0.492 472 N N 1.541 120.244 118.700 0.006 0.000 2.058 472 N HA -0.117 4.638 4.740 0.025 0.000 0.191 472 N C 1.899 177.417 175.510 0.012 0.000 1.037 472 N CA 1.637 54.688 53.050 0.001 0.000 0.848 472 N CB -0.426 38.054 38.487 -0.011 0.000 1.021 472 N HN 0.443 nan 8.380 nan 0.000 0.422 473 S N 0.937 116.644 115.700 0.012 0.000 2.387 473 S HA -0.096 4.389 4.470 0.025 0.000 0.230 473 S C 2.310 176.915 174.600 0.008 0.000 1.035 473 S CA 0.800 59.005 58.200 0.009 0.000 1.014 473 S CB -0.349 62.856 63.200 0.008 0.000 0.836 473 S HN 0.108 nan 8.310 nan 0.000 0.466 474 V N 2.018 121.945 119.914 0.022 0.000 2.233 474 V HA -0.217 3.918 4.120 0.025 0.000 0.247 474 V C 2.091 178.196 176.094 0.018 0.000 1.050 474 V CA 1.857 64.165 62.300 0.013 0.000 1.010 474 V CB -0.647 31.211 31.823 0.060 0.000 0.637 474 V HN 0.449 nan 8.190 nan 0.000 0.444 475 I N -0.607 120.014 120.570 0.085 0.000 2.208 475 I HA -0.289 3.896 4.170 0.025 0.000 0.245 475 I C 2.739 178.872 176.117 0.027 0.000 1.097 475 I CA 1.652 63.008 61.300 0.093 0.000 1.363 475 I CB -0.421 37.627 38.000 0.081 0.000 1.051 475 I HN 0.215 nan 8.210 nan 0.000 0.413 476 R N 0.184 120.692 120.500 0.014 0.000 2.159 476 R HA -0.188 4.167 4.340 0.025 0.000 0.237 476 R C 2.231 178.533 176.300 0.003 0.000 1.131 476 R CA 0.967 57.073 56.100 0.010 0.000 0.982 476 R CB -0.148 30.157 30.300 0.009 0.000 0.868 476 R HN 0.409 nan 8.270 nan 0.000 0.453 477 Q N 0.049 119.841 119.800 -0.013 0.000 2.172 477 Q HA -0.069 4.286 4.340 0.025 0.000 0.200 477 Q C 1.894 177.873 176.000 -0.034 0.000 0.964 477 Q CA 0.985 56.771 55.803 -0.028 0.000 0.855 477 Q CB -0.068 28.638 28.738 -0.054 0.000 0.918 477 Q HN 0.211 nan 8.270 nan 0.000 0.444 478 L N -1.015 120.185 121.223 -0.039 0.000 2.291 478 L HA 0.037 4.392 4.340 0.025 0.000 0.214 478 L C 0.495 177.371 176.870 0.009 0.000 1.120 478 L CA 1.170 55.991 54.840 -0.033 0.000 0.799 478 L CB -0.020 42.021 42.059 -0.031 0.000 0.925 478 L HN 0.144 nan 8.230 nan 0.000 0.446 479 M N -0.604 119.012 119.600 0.027 0.000 2.322 479 M HA 0.226 4.721 4.480 0.025 0.000 0.285 479 M C -0.762 175.566 176.300 0.046 0.000 1.119 479 M CA -0.496 54.838 55.300 0.056 0.000 0.953 479 M CB 2.507 35.190 32.600 0.138 0.000 1.701 479 M HN -0.167 nan 8.290 nan 0.000 0.479 480 K N 2.859 123.278 120.400 0.032 0.000 2.211 480 K HA 0.305 4.640 4.320 0.025 0.000 0.275 480 K C -0.486 176.129 176.600 0.025 0.000 1.024 480 K CA -0.325 55.980 56.287 0.028 0.000 0.887 480 K CB 1.307 33.823 32.500 0.026 0.000 1.084 480 K HN 0.699 nan 8.250 nan 0.000 0.463 481 K N 4.541 124.958 120.400 0.028 0.000 2.315 481 K HA 0.026 4.361 4.320 0.025 0.000 0.291 481 K C 0.347 176.956 176.600 0.016 0.000 1.074 481 K CA 0.207 56.500 56.287 0.010 0.000 0.936 481 K CB 0.538 33.053 32.500 0.024 0.000 1.049 481 K HN 0.559 nan 8.250 nan 0.000 0.471 482 E N 3.519 123.717 120.200 -0.004 0.000 2.112 482 E HA -0.017 4.348 4.350 0.025 0.000 0.190 482 E C -0.334 176.368 176.600 0.170 0.000 0.979 482 E CA 0.661 57.113 56.400 0.088 0.000 0.814 482 E CB -0.091 29.710 29.700 0.168 0.000 0.762 482 E HN 0.587 nan 8.360 nan 0.000 0.460 483 F N -2.504 117.474 119.950 0.045 0.000 2.769 483 F HA 0.339 4.881 4.527 0.025 0.000 0.313 483 F C -1.281 174.524 175.800 0.009 0.000 1.146 483 F CA -1.337 56.664 58.000 0.001 0.000 0.934 483 F CB 0.953 39.916 39.000 -0.062 0.000 1.283 483 F HN -0.436 nan 8.300 nan 0.000 0.443 484 T N 3.180 117.842 114.554 0.180 0.000 2.767 484 T HA 0.492 4.857 4.350 0.025 0.000 0.288 484 T C -0.054 174.719 174.700 0.121 0.000 0.963 484 T CA -0.519 61.645 62.100 0.106 0.000 1.019 484 T CB 1.014 69.945 68.868 0.105 0.000 0.923 484 T HN 0.606 nan 8.240 nan 0.000 0.468 485 L N 4.885 126.082 121.223 -0.043 0.000 2.404 485 L HA 0.173 4.528 4.340 0.025 0.000 0.277 485 L C 1.405 178.242 176.870 -0.055 0.000 1.184 485 L CA -0.720 53.873 54.840 -0.410 0.000 1.013 485 L CB -0.281 41.417 42.059 -0.601 0.000 1.318 485 L HN 0.705 nan 8.230 nan 0.000 0.435 486 E N 3.010 123.286 120.200 0.126 0.000 2.458 486 E HA -0.161 4.204 4.350 0.025 0.000 0.264 486 E C -0.280 176.529 176.600 0.348 0.000 1.097 486 E CA -0.383 56.174 56.400 0.262 0.000 0.973 486 E CB 0.707 30.578 29.700 0.286 0.000 0.963 486 E HN 0.265 nan 8.360 nan 0.000 0.451 487 F N 2.149 122.208 119.950 0.181 0.000 2.629 487 F HA 0.050 4.592 4.527 0.025 0.000 0.377 487 F C 0.148 176.053 175.800 0.175 0.000 1.101 487 F CA 0.756 58.855 58.000 0.166 0.000 1.301 487 F CB 0.459 39.529 39.000 0.116 0.000 1.062 487 F HN 0.503 nan 8.300 nan 0.000 0.583 488 S N 5.853 121.102 115.700 -0.751 0.000 2.541 488 S HA 0.471 4.956 4.470 0.025 0.000 0.280 488 S C 0.579 174.803 174.600 -0.626 0.000 1.112 488 S CA -1.066 56.914 58.200 -0.368 0.000 0.925 488 S CB 2.080 65.187 63.200 -0.156 0.000 1.067 488 S HN 0.789 nan 8.310 nan 0.000 0.479 489 R N 1.711 122.168 120.500 -0.073 0.000 2.140 489 R HA -0.177 4.178 4.340 0.025 0.000 0.250 489 R C 1.539 177.807 176.300 -0.053 0.000 1.150 489 R CA 2.161 58.292 56.100 0.052 0.000 0.966 489 R CB -0.824 29.559 30.300 0.139 0.000 0.869 489 R HN 0.918 nan 8.270 nan 0.000 0.445 490 D N 0.909 121.253 120.400 -0.094 0.000 2.312 490 D HA -0.176 4.479 4.640 0.025 0.000 0.211 490 D C 1.667 177.908 176.300 -0.098 0.000 0.964 490 D CA 0.970 54.922 54.000 -0.080 0.000 0.877 490 D CB -0.110 40.641 40.800 -0.082 0.000 0.924 490 D HN 0.472 nan 8.370 nan 0.000 0.515 491 R N 0.279 120.678 120.500 -0.169 0.000 2.419 491 R HA 0.177 4.532 4.340 0.025 0.000 0.235 491 R C 0.532 176.739 176.300 -0.155 0.000 0.899 491 R CA -0.297 55.721 56.100 -0.136 0.000 1.048 491 R CB 0.007 30.249 30.300 -0.096 0.000 1.182 491 R HN -0.218 nan 8.270 nan 0.000 0.544 492 K N 1.202 121.441 120.400 -0.268 0.000 3.130 492 K HA -0.215 4.120 4.320 0.025 0.000 0.282 492 K C -0.731 175.879 176.600 0.017 0.000 1.145 492 K CA 1.144 57.377 56.287 -0.089 0.000 0.831 492 K CB -1.348 31.201 32.500 0.081 0.000 1.226 492 K HN 0.685 nan 8.250 nan 0.000 0.478 493 S N -1.210 114.379 115.700 -0.184 0.000 2.656 493 S HA 0.821 5.306 4.470 0.025 0.000 0.273 493 S C -0.773 173.848 174.600 0.035 0.000 1.168 493 S CA -0.839 57.389 58.200 0.047 0.000 0.817 493 S CB 2.081 65.312 63.200 0.053 0.000 1.146 493 S HN 0.365 nan 8.310 nan 0.000 0.475 494 M N 0.161 119.854 119.600 0.154 0.000 2.520 494 M HA 0.840 5.335 4.480 0.025 0.000 0.283 494 M C -1.155 175.212 176.300 0.112 0.000 1.237 494 M CA -0.581 54.816 55.300 0.161 0.000 0.885 494 M CB 2.113 34.867 32.600 0.258 0.000 1.727 494 M HN 0.957 nan 8.290 nan 0.000 0.468 495 S N 0.655 116.397 115.700 0.070 0.000 2.685 495 S HA 0.935 5.420 4.470 0.025 0.000 0.282 495 S C -0.751 173.853 174.600 0.008 0.000 1.159 495 S CA -0.487 57.740 58.200 0.045 0.000 0.833 495 S CB 1.864 65.077 63.200 0.022 0.000 1.151 495 S HN 1.526 nan 8.310 nan 0.000 0.485 496 V N -1.028 118.882 119.914 -0.007 0.000 2.709 496 V HA 0.715 4.849 4.120 0.025 0.000 0.308 496 V C -1.465 174.511 176.094 -0.198 0.000 1.062 496 V CA -0.861 61.397 62.300 -0.070 0.000 0.901 496 V CB 1.118 32.954 31.823 0.021 0.000 1.003 496 V HN 0.969 nan 8.190 nan 0.000 0.425 497 Y N 3.648 123.611 120.300 -0.561 0.000 2.326 497 Y HA 0.751 5.316 4.550 0.025 0.000 0.337 497 Y C -0.097 175.485 175.900 -0.530 0.000 1.023 497 Y CA -0.285 57.377 58.100 -0.731 0.000 1.143 497 Y CB 1.189 38.738 38.460 -1.519 0.000 1.183 497 Y HN 1.019 nan 8.280 nan 0.000 0.485 498 C N 3.880 122.838 119.300 -0.570 0.000 2.698 498 C HA 0.716 5.191 4.460 0.025 0.000 0.309 498 C C -0.833 173.992 174.990 -0.276 0.000 1.186 498 C CA -0.897 57.950 59.018 -0.285 0.000 1.474 498 C CB 1.190 28.840 27.740 -0.150 0.000 2.020 498 C HN 0.907 nan 8.230 nan 0.000 0.474 499 S N 1.636 117.281 115.700 -0.091 0.000 2.532 499 S HA 0.717 5.202 4.470 0.025 0.000 0.301 499 S C -3.236 171.346 174.600 -0.029 0.000 1.083 499 S CA -1.514 56.647 58.200 -0.066 0.000 1.025 499 S CB 1.306 64.510 63.200 0.007 0.000 1.056 499 S HN 0.508 nan 8.310 nan 0.000 0.494 500 P HA 0.199 nan 4.420 nan 0.000 0.261 500 P C -0.286 177.013 177.300 -0.001 0.000 1.183 500 P CA 0.179 63.275 63.100 -0.006 0.000 0.761 500 P CB -0.004 31.688 31.700 -0.012 0.000 0.785 501 A N 4.333 127.153 122.820 0.001 0.000 2.520 501 A HA 0.072 4.406 4.320 0.025 0.000 0.235 501 A C 0.858 178.439 177.584 -0.005 0.000 1.065 501 A CA 0.310 52.347 52.037 -0.001 0.000 0.764 501 A CB -0.620 18.376 19.000 -0.007 0.000 1.002 501 A HN 0.692 nan 8.150 nan 0.000 0.502 502 K N -0.425 119.973 120.400 -0.002 0.000 3.467 502 K HA -0.120 4.215 4.320 0.025 0.000 0.309 502 K C 0.184 176.782 176.600 -0.003 0.000 1.350 502 K CA 1.060 57.344 56.287 -0.005 0.000 0.934 502 K CB -1.931 30.562 32.500 -0.011 0.000 1.312 502 K HN 0.607 nan 8.250 nan 0.000 0.461 503 S N 0.035 115.735 115.700 0.001 0.000 2.718 503 S HA 0.571 5.056 4.470 0.025 0.000 0.300 503 S C 0.010 174.615 174.600 0.008 0.000 1.117 503 S CA -0.494 57.707 58.200 0.002 0.000 1.002 503 S CB 1.730 64.930 63.200 -0.000 0.000 1.092 503 S HN 0.316 nan 8.310 nan 0.000 0.542 504 S N 0.915 116.621 115.700 0.009 0.000 2.654 504 S HA 0.419 4.904 4.470 0.025 0.000 0.283 504 S C 1.082 175.695 174.600 0.021 0.000 1.180 504 S CA -0.896 57.312 58.200 0.013 0.000 1.021 504 S CB 0.783 63.989 63.200 0.010 0.000 1.018 504 S HN 0.609 nan 8.310 nan 0.000 0.532 505 R N 1.257 121.772 120.500 0.025 0.000 2.119 505 R HA -0.178 4.177 4.340 0.025 0.000 0.246 505 R C 2.251 178.572 176.300 0.036 0.000 1.146 505 R CA 1.809 57.930 56.100 0.035 0.000 0.962 505 R CB -1.638 28.679 30.300 0.028 0.000 0.863 505 R HN 0.867 nan 8.270 nan 0.000 0.442 506 A N 1.306 124.141 122.820 0.024 0.000 2.067 506 A HA 0.242 4.577 4.320 0.025 0.000 0.217 506 A C 1.311 178.907 177.584 0.020 0.000 1.156 506 A CA 0.626 52.676 52.037 0.022 0.000 0.683 506 A CB -0.271 18.737 19.000 0.014 0.000 0.808 506 A HN 0.373 nan 8.150 nan 0.000 0.455 507 A N -0.511 122.318 122.820 0.016 0.000 2.599 507 A HA 0.357 4.692 4.320 0.025 0.000 0.240 507 A C 0.486 178.073 177.584 0.004 0.000 1.109 507 A CA 0.328 52.369 52.037 0.008 0.000 0.798 507 A CB -0.160 18.842 19.000 0.003 0.000 1.050 507 A HN 0.497 nan 8.150 nan 0.000 0.518 508 V N -0.058 119.853 119.914 -0.006 0.000 2.837 508 V HA 0.624 4.759 4.120 0.025 0.000 0.310 508 V C 1.296 177.370 176.094 -0.032 0.000 1.059 508 V CA 0.977 63.267 62.300 -0.017 0.000 1.004 508 V CB 1.176 32.990 31.823 -0.015 0.000 1.045 508 V HN 2.054 nan 8.190 nan 0.000 0.465 509 G N 2.448 111.215 108.800 -0.056 0.000 2.154 509 G HA2 -0.176 3.799 3.960 0.025 0.000 0.186 509 G HA3 -0.176 3.799 3.960 0.025 0.000 0.186 509 G C -0.041 174.780 174.900 -0.132 0.000 1.000 509 G CA -0.356 44.698 45.100 -0.076 0.000 0.664 509 G HN 0.621 nan 8.290 nan 0.000 0.513 510 N N 0.981 119.582 118.700 -0.164 0.000 2.454 510 N HA 0.504 5.259 4.740 0.025 0.000 0.254 510 N C 0.208 175.441 175.510 -0.460 0.000 1.228 510 N CA 0.425 53.279 53.050 -0.326 0.000 0.900 510 N CB 0.704 38.986 38.487 -0.342 0.000 1.089 510 N HN 0.154 nan 8.380 nan 0.000 0.449 511 K N 1.449 121.442 120.400 -0.679 0.000 2.435 511 K HA 0.491 4.826 4.320 0.025 0.000 0.251 511 K C -0.342 175.649 176.600 -1.015 0.000 0.954 511 K CA -0.440 55.367 56.287 -0.800 0.000 0.820 511 K CB 1.784 33.685 32.500 -0.999 0.000 1.292 511 K HN 0.489 nan 8.250 nan 0.000 0.436 512 M N 1.913 121.048 119.600 -0.776 0.000 2.404 512 M HA 0.498 4.993 4.480 0.025 0.000 0.338 512 M C -0.901 175.093 176.300 -0.511 0.000 1.150 512 M CA -0.668 54.269 55.300 -0.604 0.000 1.016 512 M CB 0.983 33.425 32.600 -0.265 0.000 1.672 512 M HN 0.260 nan 8.290 nan 0.000 0.448 513 F N 1.774 121.657 119.950 -0.110 0.000 2.449 513 F HA 0.579 5.121 4.527 0.025 0.000 0.342 513 F C -0.401 175.371 175.800 -0.047 0.000 1.127 513 F CA -1.038 56.915 58.000 -0.079 0.000 0.975 513 F CB 1.331 40.281 39.000 -0.084 0.000 1.146 513 F HN 0.144 nan 8.300 nan 0.000 0.444 514 V N 3.782 123.792 119.914 0.160 0.000 2.513 514 V HA 0.604 4.739 4.120 0.025 0.000 0.299 514 V C -0.392 175.751 176.094 0.082 0.000 1.035 514 V CA -1.050 61.312 62.300 0.103 0.000 0.889 514 V CB 1.766 33.640 31.823 0.085 0.000 0.988 514 V HN 0.745 nan 8.190 nan 0.000 0.440 515 K N 2.794 123.247 120.400 0.088 0.000 2.435 515 K HA 0.947 5.282 4.320 0.025 0.000 0.251 515 K C -0.291 176.381 176.600 0.119 0.000 0.954 515 K CA -0.283 56.052 56.287 0.080 0.000 0.820 515 K CB 2.690 35.225 32.500 0.059 0.000 1.292 515 K HN 0.993 nan 8.250 nan 0.000 0.436 516 G N 0.412 109.281 108.800 0.115 0.000 2.356 516 G HA2 0.437 4.412 3.960 0.025 0.000 0.281 516 G HA3 0.437 4.412 3.960 0.025 0.000 0.281 516 G C -1.638 173.341 174.900 0.132 0.000 1.246 516 G CA -0.521 44.670 45.100 0.151 0.000 0.889 516 G HN 0.756 nan 8.290 nan 0.000 0.486 517 A N 0.414 123.319 122.820 0.142 0.000 2.409 517 A HA 0.659 4.994 4.320 0.025 0.000 0.262 517 A C -0.970 176.675 177.584 0.102 0.000 1.113 517 A CA -0.591 51.520 52.037 0.123 0.000 0.790 517 A CB 0.531 19.607 19.000 0.128 0.000 1.046 517 A HN 0.295 nan 8.150 nan 0.000 0.496 518 P HA -0.199 nan 4.420 nan 0.000 0.218 518 P C 1.356 178.700 177.300 0.073 0.000 1.148 518 P CA 1.656 64.813 63.100 0.095 0.000 0.822 518 P CB 0.318 32.072 31.700 0.090 0.000 0.784 519 E N -0.444 119.791 120.200 0.058 0.000 2.015 519 E HA -0.128 4.237 4.350 0.025 0.000 0.191 519 E C 2.232 178.855 176.600 0.037 0.000 0.991 519 E CA 1.484 57.906 56.400 0.037 0.000 0.802 519 E CB -1.098 28.621 29.700 0.032 0.000 0.759 519 E HN 0.093 nan 8.360 nan 0.000 0.447 520 G N 0.758 109.585 108.800 0.044 0.000 2.440 520 G HA2 -0.259 3.716 3.960 0.025 0.000 0.218 520 G HA3 -0.259 3.716 3.960 0.025 0.000 0.218 520 G C 1.676 176.605 174.900 0.049 0.000 1.154 520 G CA 1.169 46.291 45.100 0.037 0.000 0.767 520 G HN 0.261 nan 8.290 nan 0.000 0.552 521 V N 0.917 120.874 119.914 0.072 0.000 2.307 521 V HA -0.120 4.015 4.120 0.025 0.000 0.245 521 V C 2.780 178.938 176.094 0.108 0.000 1.045 521 V CA 1.578 63.936 62.300 0.095 0.000 1.024 521 V CB -0.382 31.512 31.823 0.117 0.000 0.651 521 V HN 0.372 nan 8.190 nan 0.000 0.449 522 I N 0.165 120.792 120.570 0.096 0.000 2.286 522 I HA -0.242 3.943 4.170 0.025 0.000 0.248 522 I C 2.149 178.280 176.117 0.023 0.000 1.115 522 I CA 1.537 62.869 61.300 0.054 0.000 1.392 522 I CB -0.422 37.566 38.000 -0.020 0.000 1.065 522 I HN 0.323 nan 8.210 nan 0.000 0.418 523 D N 0.664 121.075 120.400 0.019 0.000 2.264 523 D HA -0.109 4.546 4.640 0.025 0.000 0.208 523 D C 1.767 178.075 176.300 0.013 0.000 0.966 523 D CA 0.923 54.926 54.000 0.005 0.000 0.864 523 D CB -0.086 40.714 40.800 0.000 0.000 0.933 523 D HN 0.388 nan 8.370 nan 0.000 0.499 524 R N -0.341 120.181 120.500 0.036 0.000 2.388 524 R HA 0.181 4.536 4.340 0.025 0.000 0.247 524 R C -0.024 176.311 176.300 0.057 0.000 0.931 524 R CA -0.204 55.921 56.100 0.041 0.000 1.082 524 R CB 0.351 30.680 30.300 0.048 0.000 1.135 524 R HN 0.024 nan 8.270 nan 0.000 0.525 525 C N 1.110 120.447 119.300 0.061 0.000 2.330 525 C HA 0.295 4.770 4.460 0.025 0.000 0.344 525 C C 1.085 176.065 174.990 -0.015 0.000 1.273 525 C CA -0.918 58.147 59.018 0.078 0.000 1.879 525 C CB 0.860 28.691 27.740 0.151 0.000 2.376 525 C HN 0.452 nan 8.230 nan 0.000 0.534 526 N N 0.413 119.057 118.700 -0.095 0.000 2.254 526 N HA 0.161 4.916 4.740 0.025 0.000 0.190 526 N C -0.762 174.429 175.510 -0.532 0.000 1.107 526 N CA 0.463 53.303 53.050 -0.350 0.000 0.869 526 N CB 0.258 38.415 38.487 -0.550 0.000 0.983 526 N HN 0.740 nan 8.380 nan 0.000 0.487 527 Y N -1.003 119.336 120.300 0.064 0.000 2.588 527 Y HA 0.495 5.059 4.550 0.025 0.000 0.343 527 Y C -0.112 175.857 175.900 0.116 0.000 1.065 527 Y CA -1.555 56.588 58.100 0.072 0.000 1.038 527 Y CB 1.517 40.017 38.460 0.065 0.000 1.297 527 Y HN -0.264 nan 8.280 nan 0.000 0.467 528 V N -0.294 119.801 119.914 0.301 0.000 2.628 528 V HA 0.748 4.883 4.120 0.025 0.000 0.306 528 V C -0.604 175.624 176.094 0.223 0.000 1.045 528 V CA -1.162 61.313 62.300 0.292 0.000 0.905 528 V CB 1.691 33.669 31.823 0.258 0.000 0.997 528 V HN 0.749 nan 8.190 nan 0.000 0.436 529 R N 3.115 123.730 120.500 0.191 0.000 2.442 529 R HA 0.577 4.932 4.340 0.025 0.000 0.291 529 R C -0.830 175.551 176.300 0.135 0.000 1.069 529 R CA 0.020 56.192 56.100 0.121 0.000 1.022 529 R CB 0.869 31.212 30.300 0.071 0.000 0.976 529 R HN 0.778 nan 8.270 nan 0.000 0.443 530 V N 6.194 126.174 119.914 0.111 0.000 2.304 530 V HA 0.485 4.620 4.120 0.025 0.000 0.278 530 V C 1.134 177.285 176.094 0.095 0.000 1.018 530 V CA 0.329 62.697 62.300 0.113 0.000 0.814 530 V CB 0.414 32.300 31.823 0.104 0.000 1.021 530 V HN 1.062 nan 8.190 nan 0.000 0.440 531 G N 5.402 114.266 108.800 0.106 0.000 2.687 531 G HA2 -0.354 3.621 3.960 0.025 0.000 0.303 531 G HA3 -0.354 3.621 3.960 0.025 0.000 0.303 531 G C 0.898 175.835 174.900 0.062 0.000 1.209 531 G CA 1.083 46.238 45.100 0.092 0.000 0.968 531 G HN 1.365 nan 8.290 nan 0.000 0.549 532 T N -1.160 113.423 114.554 0.047 0.000 3.084 532 T HA 0.539 4.904 4.350 0.025 0.000 0.270 532 T C 0.928 175.644 174.700 0.026 0.000 1.008 532 T CA 1.371 63.491 62.100 0.034 0.000 0.900 532 T CB 0.113 68.997 68.868 0.028 0.000 1.084 532 T HN 1.661 nan 8.240 nan 0.000 0.538 533 T N -0.382 114.192 114.554 0.034 0.000 2.893 533 T HA 0.664 5.029 4.350 0.025 0.000 0.279 533 T C -0.431 174.287 174.700 0.031 0.000 0.991 533 T CA -1.024 61.092 62.100 0.026 0.000 0.950 533 T CB 2.047 70.938 68.868 0.038 0.000 1.223 533 T HN 0.370 nan 8.240 nan 0.000 0.585 534 R N 0.087 120.600 120.500 0.023 0.000 2.604 534 R HA 0.617 4.972 4.340 0.025 0.000 0.281 534 R C -1.615 174.738 176.300 0.089 0.000 1.020 534 R CA -0.726 55.392 56.100 0.031 0.000 0.899 534 R CB 2.052 32.302 30.300 -0.084 0.000 1.205 534 R HN 0.847 nan 8.270 nan 0.000 0.450 535 V N 0.381 120.394 119.914 0.166 0.000 3.130 535 V HA 0.711 4.846 4.120 0.025 0.000 0.310 535 V C -2.874 173.361 176.094 0.236 0.000 1.158 535 V CA -2.674 59.731 62.300 0.175 0.000 1.029 535 V CB 2.028 33.919 31.823 0.114 0.000 1.057 535 V HN 0.608 nan 8.190 nan 0.000 0.436 536 P HA 0.307 nan 4.420 nan 0.000 0.271 536 P C -0.395 176.919 177.300 0.024 0.000 1.216 536 P CA -0.133 63.012 63.100 0.075 0.000 0.771 536 P CB 0.386 32.095 31.700 0.016 0.000 0.864 537 M N 4.346 123.926 119.600 -0.034 0.000 2.303 537 M HA 0.129 4.624 4.480 0.025 0.000 0.350 537 M C -0.171 176.096 176.300 -0.055 0.000 1.518 537 M CA 0.915 56.193 55.300 -0.036 0.000 1.070 537 M CB -0.740 31.827 32.600 -0.055 0.000 1.910 537 M HN 0.415 nan 8.290 nan 0.000 0.458 538 T N 1.745 116.271 114.554 -0.047 0.000 2.927 538 T HA 0.712 5.077 4.350 0.025 0.000 0.286 538 T C 1.072 175.737 174.700 -0.058 0.000 1.040 538 T CA -0.557 61.515 62.100 -0.047 0.000 1.010 538 T CB 1.180 70.029 68.868 -0.031 0.000 1.177 538 T HN 0.660 nan 8.240 nan 0.000 0.546 539 G N 0.642 109.412 108.800 -0.050 0.000 2.440 539 G HA2 -0.059 3.916 3.960 0.025 0.000 0.218 539 G HA3 -0.059 3.916 3.960 0.025 0.000 0.218 539 G C -1.026 173.835 174.900 -0.066 0.000 1.154 539 G CA 0.773 45.840 45.100 -0.055 0.000 0.767 539 G HN 0.627 nan 8.290 nan 0.000 0.552 540 P HA 0.107 nan 4.420 nan 0.000 0.222 540 P C 2.101 179.336 177.300 -0.108 0.000 1.157 540 P CA 0.117 63.172 63.100 -0.076 0.000 0.816 540 P CB 0.167 31.833 31.700 -0.057 0.000 0.813 541 V N 1.039 120.893 119.914 -0.101 0.000 2.255 541 V HA -0.289 3.846 4.120 0.025 0.000 0.247 541 V C 2.518 178.515 176.094 -0.161 0.000 1.051 541 V CA 2.049 64.272 62.300 -0.128 0.000 1.018 541 V CB -1.091 30.679 31.823 -0.088 0.000 0.641 541 V HN 0.124 nan 8.190 nan 0.000 0.445 542 K N -0.069 120.246 120.400 -0.143 0.000 2.044 542 K HA -0.302 4.033 4.320 0.025 0.000 0.210 542 K C 2.180 178.688 176.600 -0.154 0.000 1.049 542 K CA 2.197 58.386 56.287 -0.165 0.000 0.927 542 K CB -0.185 32.243 32.500 -0.120 0.000 0.713 542 K HN 0.423 nan 8.250 nan 0.000 0.443 543 E N 0.718 120.844 120.200 -0.124 0.000 2.085 543 E HA -0.224 4.141 4.350 0.025 0.000 0.194 543 E C 1.751 178.266 176.600 -0.142 0.000 0.994 543 E CA 1.535 57.866 56.400 -0.114 0.000 0.801 543 E CB -0.058 29.587 29.700 -0.090 0.000 0.743 543 E HN 0.109 nan 8.360 nan 0.000 0.453 544 K N 0.457 120.754 120.400 -0.172 0.000 2.009 544 K HA -0.100 4.235 4.320 0.025 0.000 0.210 544 K C 1.963 178.415 176.600 -0.247 0.000 1.049 544 K CA 1.644 57.800 56.287 -0.218 0.000 0.929 544 K CB -0.669 31.679 32.500 -0.254 0.000 0.714 544 K HN 0.205 nan 8.250 nan 0.000 0.440 545 I N 0.436 120.864 120.570 -0.237 0.000 2.099 545 I HA -0.323 3.861 4.170 0.025 0.000 0.239 545 I C 2.211 178.252 176.117 -0.126 0.000 1.066 545 I CA 1.399 62.580 61.300 -0.198 0.000 1.324 545 I CB -0.276 37.523 38.000 -0.335 0.000 1.037 545 I HN 0.143 nan 8.210 nan 0.000 0.401 546 L N 0.082 121.227 121.223 -0.131 0.000 2.129 546 L HA -0.273 4.082 4.340 0.025 0.000 0.212 546 L C 2.770 179.588 176.870 -0.086 0.000 1.087 546 L CA 1.647 56.437 54.840 -0.084 0.000 0.757 546 L CB -0.696 41.317 42.059 -0.077 0.000 0.896 546 L HN 0.396 nan 8.230 nan 0.000 0.434 547 S N -0.139 115.487 115.700 -0.125 0.000 2.353 547 S HA -0.155 4.330 4.470 0.025 0.000 0.222 547 S C 1.812 176.313 174.600 -0.165 0.000 1.035 547 S CA 1.700 59.822 58.200 -0.130 0.000 1.025 547 S CB -0.306 62.806 63.200 -0.147 0.000 0.902 547 S HN 0.202 nan 8.310 nan 0.000 0.440 548 V N 1.298 121.047 119.914 -0.275 0.000 3.041 548 V HA 0.083 4.218 4.120 0.025 0.000 0.260 548 V C 2.178 178.050 176.094 -0.371 0.000 1.105 548 V CA 1.013 63.056 62.300 -0.428 0.000 1.125 548 V CB -0.674 30.682 31.823 -0.778 0.000 0.730 548 V HN 0.464 nan 8.190 nan 0.000 0.479 549 I N 0.005 120.488 120.570 -0.145 0.000 2.141 549 I HA -0.198 3.987 4.170 0.025 0.000 0.236 549 I C 2.512 178.651 176.117 0.037 0.000 1.071 549 I CA 1.537 62.831 61.300 -0.010 0.000 1.345 549 I CB -0.379 37.654 38.000 0.055 0.000 1.066 549 I HN 0.179 nan 8.210 nan 0.000 0.406 550 K N 1.318 121.727 120.400 0.015 0.000 2.037 550 K HA -0.380 3.955 4.320 0.025 0.000 0.229 550 K C 1.976 178.612 176.600 0.060 0.000 1.040 550 K CA 2.777 59.081 56.287 0.027 0.000 0.981 550 K CB -0.546 31.950 32.500 -0.007 0.000 0.749 550 K HN 0.458 nan 8.250 nan 0.000 0.451 551 E N -1.128 119.093 120.200 0.036 0.000 2.065 551 E HA -0.256 4.109 4.350 0.025 0.000 0.201 551 E C 1.894 178.658 176.600 0.272 0.000 1.016 551 E CA 1.818 58.288 56.400 0.117 0.000 0.818 551 E CB -0.420 29.344 29.700 0.107 0.000 0.749 551 E HN 0.535 nan 8.360 nan 0.000 0.453 552 W N 0.701 122.033 121.300 0.053 0.000 2.374 552 W HA 0.099 4.774 4.660 0.025 0.000 0.288 552 W C 2.420 178.966 176.519 0.045 0.000 1.218 552 W CA 1.283 58.664 57.345 0.061 0.000 1.245 552 W CB -1.039 28.483 29.460 0.103 0.000 1.126 552 W HN 0.277 nan 8.180 nan 0.000 0.545 553 G N -1.152 107.817 108.800 0.282 0.000 2.653 553 G HA2 -0.045 3.930 3.960 0.025 0.000 0.212 553 G HA3 -0.045 3.930 3.960 0.025 0.000 0.212 553 G C 0.367 175.328 174.900 0.103 0.000 1.138 553 G CA 1.453 46.649 45.100 0.160 0.000 0.782 553 G HN 0.212 nan 8.290 nan 0.000 0.535 554 T N -4.200 110.414 114.554 0.099 0.000 4.617 554 T HA 0.513 4.878 4.350 0.025 0.000 0.204 554 T C 0.382 175.115 174.700 0.055 0.000 0.898 554 T CA 0.402 62.538 62.100 0.060 0.000 1.387 554 T CB 0.154 69.049 68.868 0.045 0.000 0.765 554 T HN 0.378 nan 8.240 nan 0.000 0.563 555 G N 1.586 110.416 108.800 0.051 0.000 3.387 555 G HA2 0.532 4.507 3.960 0.025 0.000 0.194 555 G HA3 0.532 4.507 3.960 0.025 0.000 0.194 555 G C 0.344 175.253 174.900 0.015 0.000 1.417 555 G CA -0.519 44.601 45.100 0.034 0.000 0.777 555 G HN 0.541 nan 8.290 nan 0.000 0.721 556 R N 0.538 121.043 120.500 0.007 0.000 2.662 556 R HA 0.210 4.565 4.340 0.025 0.000 0.396 556 R C -0.330 175.962 176.300 -0.015 0.000 1.096 556 R CA -0.014 56.087 56.100 0.002 0.000 1.081 556 R CB -0.120 30.184 30.300 0.006 0.000 1.382 556 R HN 0.269 nan 8.270 nan 0.000 0.580 557 D N 1.227 121.618 120.400 -0.014 0.000 2.084 557 D HA -0.066 4.589 4.640 0.025 0.000 0.199 557 D C -0.059 176.232 176.300 -0.016 0.000 0.981 557 D CA 1.645 55.620 54.000 -0.040 0.000 0.841 557 D CB -0.417 40.368 40.800 -0.026 0.000 0.997 557 D HN 0.214 nan 8.370 nan 0.000 0.454 558 T N 1.425 115.991 114.554 0.020 0.000 2.910 558 T HA -0.195 4.170 4.350 0.025 0.000 0.459 558 T C 0.232 174.951 174.700 0.032 0.000 0.777 558 T CA 0.201 62.322 62.100 0.036 0.000 2.387 558 T CB -1.339 67.543 68.868 0.024 0.000 1.610 558 T HN 0.104 nan 8.240 nan 0.000 0.515 559 L N 1.072 122.328 121.223 0.055 0.000 2.344 559 L HA 0.507 4.862 4.340 0.025 0.000 0.272 559 L C 1.038 177.951 176.870 0.073 0.000 1.035 559 L CA -1.094 53.770 54.840 0.040 0.000 0.807 559 L CB 1.284 43.353 42.059 0.018 0.000 1.237 559 L HN 0.327 nan 8.230 nan 0.000 0.442 560 R N 1.151 121.682 120.500 0.053 0.000 2.370 560 R HA 0.247 4.602 4.340 0.025 0.000 0.309 560 R C -1.315 175.038 176.300 0.088 0.000 1.059 560 R CA -0.252 55.886 56.100 0.064 0.000 0.981 560 R CB 0.402 30.729 30.300 0.045 0.000 0.972 560 R HN 0.585 nan 8.270 nan 0.000 0.437 561 C N 6.169 125.536 119.300 0.112 0.000 2.322 561 C HA 0.484 4.959 4.460 0.025 0.000 0.324 561 C C -0.917 174.135 174.990 0.102 0.000 1.284 561 C CA -0.836 58.265 59.018 0.138 0.000 1.606 561 C CB 0.739 28.586 27.740 0.178 0.000 2.251 561 C HN 0.598 nan 8.230 nan 0.000 0.502 562 L N 3.533 124.805 121.223 0.081 0.000 2.362 562 L HA 0.699 5.054 4.340 0.025 0.000 0.275 562 L C 0.409 177.299 176.870 0.034 0.000 0.998 562 L CA -0.320 54.557 54.840 0.062 0.000 0.820 562 L CB 1.367 43.453 42.059 0.046 0.000 1.270 562 L HN 0.807 nan 8.230 nan 0.000 0.415 563 A N 5.196 128.053 122.820 0.060 0.000 2.331 563 A HA 0.735 5.070 4.320 0.025 0.000 0.283 563 A C -0.700 176.876 177.584 -0.014 0.000 1.142 563 A CA -0.359 51.710 52.037 0.053 0.000 0.812 563 A CB 0.240 19.350 19.000 0.184 0.000 1.074 563 A HN 0.641 nan 8.150 nan 0.000 0.497 564 L N 1.933 123.069 121.223 -0.145 0.000 2.313 564 L HA 0.735 5.090 4.340 0.025 0.000 0.283 564 L C 0.365 177.113 176.870 -0.204 0.000 1.013 564 L CA -0.173 54.575 54.840 -0.154 0.000 0.816 564 L CB 1.578 43.524 42.059 -0.189 0.000 1.236 564 L HN 0.835 nan 8.230 nan 0.000 0.419 565 A N 2.073 124.862 122.820 -0.050 0.000 2.530 565 A HA 0.960 5.295 4.320 0.025 0.000 0.288 565 A C -0.813 176.827 177.584 0.092 0.000 1.172 565 A CA -0.546 51.490 52.037 -0.002 0.000 0.733 565 A CB 2.149 21.190 19.000 0.068 0.000 1.320 565 A HN 0.494 nan 8.150 nan 0.000 0.419 566 T N 0.880 115.491 114.554 0.096 0.000 2.921 566 T HA 0.433 4.798 4.350 0.025 0.000 0.297 566 T C -0.577 174.133 174.700 0.017 0.000 1.013 566 T CA -0.520 61.639 62.100 0.099 0.000 0.990 566 T CB 1.281 70.236 68.868 0.145 0.000 1.023 566 T HN 0.558 nan 8.240 nan 0.000 0.447 567 R N 2.406 122.863 120.500 -0.072 0.000 2.220 567 R HA 0.136 4.491 4.340 0.025 0.000 0.340 567 R C 0.037 176.266 176.300 -0.118 0.000 1.076 567 R CA -0.331 55.735 56.100 -0.056 0.000 0.920 567 R CB 0.319 30.598 30.300 -0.036 0.000 1.062 567 R HN 0.636 nan 8.270 nan 0.000 0.469 568 D N 1.557 121.912 120.400 -0.075 0.000 2.178 568 D HA -0.079 4.575 4.640 0.025 0.000 0.201 568 D C -0.062 176.169 176.300 -0.115 0.000 0.980 568 D CA 1.555 55.489 54.000 -0.110 0.000 0.842 568 D CB 0.468 41.196 40.800 -0.120 0.000 0.948 568 D HN 0.418 nan 8.370 nan 0.000 0.472 569 T N 2.854 117.362 114.554 -0.076 0.000 3.401 569 T HA 0.253 4.618 4.350 0.025 0.000 0.341 569 T C -2.528 172.152 174.700 -0.033 0.000 1.674 569 T CA -1.320 60.747 62.100 -0.054 0.000 1.600 569 T CB 2.086 70.946 68.868 -0.013 0.000 0.974 569 T HN -0.012 nan 8.240 nan 0.000 0.672 570 P HA 0.285 nan 4.420 nan 0.000 0.271 570 P C -2.631 174.716 177.300 0.079 0.000 1.233 570 P CA -1.380 61.710 63.100 -0.017 0.000 0.789 570 P CB -0.455 31.155 31.700 -0.150 0.000 0.951 571 P HA 0.093 nan 4.420 nan 0.000 0.267 571 P C -0.286 177.106 177.300 0.154 0.000 1.201 571 P CA 0.109 63.280 63.100 0.118 0.000 0.775 571 P CB 0.163 31.912 31.700 0.082 0.000 0.854 572 K N 1.662 122.115 120.400 0.088 0.000 2.451 572 K HA -0.007 4.328 4.320 0.025 0.000 0.280 572 K C 1.657 178.250 176.600 -0.012 0.000 1.020 572 K CA 0.226 56.556 56.287 0.072 0.000 1.008 572 K CB 0.265 32.786 32.500 0.035 0.000 0.917 572 K HN 0.318 nan 8.250 nan 0.000 0.478 573 R N 2.330 122.797 120.500 -0.056 0.000 2.133 573 R HA -0.250 4.105 4.340 0.025 0.000 0.247 573 R C 1.242 177.407 176.300 -0.225 0.000 1.151 573 R CA 1.689 57.629 56.100 -0.267 0.000 0.971 573 R CB -0.327 29.831 30.300 -0.235 0.000 0.866 573 R HN 0.575 nan 8.270 nan 0.000 0.447 574 E N 1.469 121.595 120.200 -0.123 0.000 2.085 574 E HA -0.191 4.174 4.350 0.025 0.000 0.194 574 E C 1.676 178.217 176.600 -0.099 0.000 0.994 574 E CA 1.542 57.882 56.400 -0.100 0.000 0.801 574 E CB -0.137 29.532 29.700 -0.051 0.000 0.743 574 E HN 0.500 nan 8.360 nan 0.000 0.453 575 E N -0.150 120.002 120.200 -0.080 0.000 2.418 575 E HA -0.023 4.342 4.350 0.025 0.000 0.197 575 E C -0.017 176.526 176.600 -0.095 0.000 1.026 575 E CA 0.267 56.640 56.400 -0.046 0.000 0.862 575 E CB -0.047 29.657 29.700 0.006 0.000 0.799 575 E HN 0.288 nan 8.360 nan 0.000 0.518 576 M N 1.575 121.019 119.600 -0.260 0.000 2.108 576 M HA 0.136 4.631 4.480 0.025 0.000 0.354 576 M C -0.258 175.920 176.300 -0.203 0.000 1.229 576 M CA -0.596 54.415 55.300 -0.482 0.000 1.081 576 M CB 1.561 33.705 32.600 -0.759 0.000 1.606 576 M HN -0.150 nan 8.290 nan 0.000 0.467 577 V N 5.730 125.705 119.914 0.102 0.000 2.353 577 V HA 0.198 4.333 4.120 0.025 0.000 0.264 577 V C 0.815 177.055 176.094 0.243 0.000 1.049 577 V CA -0.257 62.116 62.300 0.122 0.000 0.896 577 V CB 0.221 32.109 31.823 0.108 0.000 1.025 577 V HN 1.008 nan 8.190 nan 0.000 0.475 578 L N 3.714 124.968 121.223 0.053 0.000 2.191 578 L HA -0.053 4.302 4.340 0.025 0.000 0.212 578 L C 2.155 179.182 176.870 0.262 0.000 1.103 578 L CA 1.926 56.838 54.840 0.120 0.000 0.769 578 L CB -0.457 41.478 42.059 -0.207 0.000 0.908 578 L HN 0.910 nan 8.230 nan 0.000 0.438 579 D N -2.169 118.306 120.400 0.124 0.000 2.355 579 D HA -0.125 4.530 4.640 0.025 0.000 0.218 579 D C 0.659 176.973 176.300 0.024 0.000 1.004 579 D CA 0.131 54.175 54.000 0.074 0.000 0.880 579 D CB 0.003 40.819 40.800 0.027 0.000 0.911 579 D HN 0.031 nan 8.370 nan 0.000 0.528 580 D N 0.269 120.677 120.400 0.012 0.000 2.479 580 D HA 0.079 4.734 4.640 0.025 0.000 0.247 580 D C 1.141 177.122 176.300 -0.532 0.000 1.119 580 D CA -0.277 53.641 54.000 -0.137 0.000 0.922 580 D CB 1.024 41.798 40.800 -0.043 0.000 1.014 580 D HN 0.098 nan 8.370 nan 0.000 0.510 581 S N 1.329 116.555 115.700 -0.790 0.000 2.399 581 S HA -0.210 4.275 4.470 0.025 0.000 0.231 581 S C 1.964 175.954 174.600 -1.017 0.000 1.022 581 S CA 1.275 58.512 58.200 -1.605 0.000 0.983 581 S CB -0.295 62.419 63.200 -0.809 0.000 0.803 581 S HN 0.328 nan 8.310 nan 0.000 0.480 582 S N 1.763 117.153 115.700 -0.516 0.000 2.488 582 S HA -0.071 4.414 4.470 0.025 0.000 0.246 582 S C 1.716 176.148 174.600 -0.280 0.000 0.992 582 S CA 0.486 58.502 58.200 -0.306 0.000 0.963 582 S CB -0.505 62.576 63.200 -0.199 0.000 0.754 582 S HN 0.509 nan 8.310 nan 0.000 0.519 583 R N -0.265 120.029 120.500 -0.343 0.000 2.300 583 R HA 0.296 4.651 4.340 0.025 0.000 0.199 583 R C 1.444 177.545 176.300 -0.332 0.000 0.920 583 R CA 0.196 56.092 56.100 -0.340 0.000 1.046 583 R CB -0.696 29.448 30.300 -0.260 0.000 0.984 583 R HN 0.624 nan 8.270 nan 0.000 0.493 584 F N 0.631 120.472 119.950 -0.181 0.000 2.293 584 F HA -0.063 4.479 4.527 0.025 0.000 0.297 584 F C 2.479 178.246 175.800 -0.055 0.000 1.089 584 F CA 0.359 58.354 58.000 -0.009 0.000 1.377 584 F CB -0.075 38.971 39.000 0.078 0.000 1.051 584 F HN -0.017 nan 8.300 nan 0.000 0.511 585 M N 0.431 120.071 119.600 0.068 0.000 2.200 585 M HA -0.172 4.323 4.480 0.025 0.000 0.265 585 M C 1.791 178.089 176.300 -0.003 0.000 1.066 585 M CA 1.711 57.028 55.300 0.029 0.000 1.127 585 M CB -0.104 32.485 32.600 -0.018 0.000 1.379 585 M HN -0.103 nan 8.290 nan 0.000 0.420 586 E N -0.051 120.087 120.200 -0.103 0.000 2.150 586 E HA -0.153 4.212 4.350 0.025 0.000 0.193 586 E C 1.489 178.090 176.600 0.003 0.000 0.985 586 E CA 1.627 57.966 56.400 -0.101 0.000 0.814 586 E CB -0.346 29.255 29.700 -0.164 0.000 0.752 586 E HN 0.701 nan 8.360 nan 0.000 0.466 587 Y N 0.707 121.081 120.300 0.123 0.000 2.293 587 Y HA 0.012 4.577 4.550 0.025 0.000 0.291 587 Y C 1.009 176.962 175.900 0.087 0.000 1.137 587 Y CA 0.844 59.014 58.100 0.116 0.000 1.202 587 Y CB -0.207 38.339 38.460 0.143 0.000 0.990 587 Y HN 0.064 nan 8.280 nan 0.000 0.537 588 E N 0.934 121.257 120.200 0.205 0.000 2.422 588 E HA 0.099 4.464 4.350 0.025 0.000 0.267 588 E C 0.300 176.959 176.600 0.098 0.000 1.466 588 E CA 0.032 56.511 56.400 0.132 0.000 1.767 588 E CB -0.246 29.522 29.700 0.115 0.000 1.471 588 E HN 0.378 nan 8.360 nan 0.000 0.446 589 T N -3.915 110.699 114.554 0.100 0.000 2.693 589 T HA 0.189 4.554 4.350 0.025 0.000 0.278 589 T C 0.257 175.013 174.700 0.093 0.000 0.994 589 T CA -0.728 61.420 62.100 0.078 0.000 1.033 589 T CB 1.101 70.003 68.868 0.057 0.000 1.342 589 T HN -0.048 nan 8.240 nan 0.000 0.538 590 D N 0.076 120.526 120.400 0.084 0.000 2.739 590 D HA -0.135 4.520 4.640 0.025 0.000 0.230 590 D C -0.192 176.216 176.300 0.181 0.000 1.167 590 D CA 0.500 54.571 54.000 0.118 0.000 0.640 590 D CB -1.531 39.352 40.800 0.137 0.000 1.045 590 D HN 0.585 nan 8.370 nan 0.000 0.421 591 L N -0.454 120.857 121.223 0.146 0.000 2.452 591 L HA 0.215 4.570 4.340 0.025 0.000 0.267 591 L C 1.108 178.132 176.870 0.256 0.000 1.188 591 L CA 0.052 54.993 54.840 0.167 0.000 0.821 591 L CB 0.684 42.823 42.059 0.133 0.000 1.102 591 L HN -0.064 nan 8.230 nan 0.000 0.470 592 T N 2.427 117.116 114.554 0.226 0.000 2.743 592 T HA 0.246 4.611 4.350 0.025 0.000 0.292 592 T C -0.298 174.525 174.700 0.204 0.000 0.972 592 T CA -0.292 61.953 62.100 0.242 0.000 0.967 592 T CB 0.246 69.195 68.868 0.136 0.000 0.926 592 T HN 0.251 nan 8.240 nan 0.000 0.459 593 F N 4.394 124.408 119.950 0.106 0.000 2.578 593 F HA 0.206 4.747 4.527 0.025 0.000 0.376 593 F C 0.831 176.669 175.800 0.064 0.000 1.085 593 F CA 0.242 58.285 58.000 0.071 0.000 1.260 593 F CB 0.519 39.557 39.000 0.062 0.000 1.095 593 F HN 0.344 nan 8.300 nan 0.000 0.573 594 V N 4.451 123.877 119.914 -0.813 0.000 2.911 594 V HA 0.486 4.621 4.120 0.025 0.000 0.237 594 V C 0.954 176.608 176.094 -0.732 0.000 1.156 594 V CA 0.614 62.593 62.300 -0.536 0.000 1.180 594 V CB 0.065 31.721 31.823 -0.278 0.000 0.932 594 V HN 1.016 nan 8.190 nan 0.000 0.483 595 G N -0.837 107.306 108.800 -1.095 0.000 2.506 595 G HA2 0.537 4.512 3.960 0.025 0.000 0.292 595 G HA3 0.537 4.512 3.960 0.025 0.000 0.292 595 G C -2.274 172.269 174.900 -0.595 0.000 1.425 595 G CA -0.281 44.418 45.100 -0.668 0.000 0.788 595 G HN -0.042 nan 8.290 nan 0.000 0.490 596 V N 0.123 119.686 119.914 -0.586 0.000 2.709 596 V HA 0.733 4.868 4.120 0.025 0.000 0.308 596 V C 0.065 176.049 176.094 -0.184 0.000 1.062 596 V CA -0.680 61.366 62.300 -0.423 0.000 0.901 596 V CB 1.667 33.082 31.823 -0.680 0.000 1.003 596 V HN 1.302 nan 8.190 nan 0.000 0.425 597 V N 1.362 121.255 119.914 -0.035 0.000 2.581 597 V HA 1.034 5.168 4.120 0.025 0.000 0.303 597 V C 0.218 176.385 176.094 0.121 0.000 1.041 597 V CA -0.435 61.897 62.300 0.052 0.000 0.907 597 V CB 1.672 33.492 31.823 -0.004 0.000 0.994 597 V HN 0.984 nan 8.190 nan 0.000 0.442 598 G N 5.510 114.377 108.800 0.112 0.000 2.502 598 G HA2 0.670 4.645 3.960 0.025 0.000 0.311 598 G HA3 0.670 4.645 3.960 0.025 0.000 0.311 598 G C -0.636 174.247 174.900 -0.029 0.000 1.270 598 G CA -0.884 44.251 45.100 0.057 0.000 0.948 598 G HN 1.093 nan 8.290 nan 0.000 0.487 599 M N 2.362 121.961 119.600 -0.003 0.000 2.598 599 M HA 0.878 5.373 4.480 0.025 0.000 0.317 599 M C -0.819 175.467 176.300 -0.023 0.000 1.179 599 M CA -1.064 54.224 55.300 -0.019 0.000 0.936 599 M CB 2.438 35.041 32.600 0.004 0.000 1.713 599 M HN 0.452 nan 8.290 nan 0.000 0.460 600 L N -0.650 120.549 121.223 -0.040 0.000 2.479 600 L HA 0.724 5.079 4.340 0.025 0.000 0.255 600 L C -1.503 175.339 176.870 -0.046 0.000 1.026 600 L CA -0.905 53.913 54.840 -0.036 0.000 0.842 600 L CB 2.267 44.299 42.059 -0.046 0.000 1.444 600 L HN 0.768 nan 8.230 nan 0.000 0.409 601 D N 3.422 123.797 120.400 -0.041 0.000 2.344 601 D HA 0.337 4.992 4.640 0.025 0.000 0.253 601 D C -2.293 173.966 176.300 -0.068 0.000 1.255 601 D CA -1.391 52.573 54.000 -0.059 0.000 0.894 601 D CB 0.847 41.623 40.800 -0.041 0.000 1.067 601 D HN 0.427 nan 8.370 nan 0.000 0.492 602 P HA 0.300 nan 4.420 nan 0.000 0.281 602 P C -2.739 174.509 177.300 -0.087 0.000 1.249 602 P CA -1.758 61.292 63.100 -0.083 0.000 0.810 602 P CB 0.856 32.504 31.700 -0.087 0.000 1.008 603 P HA 0.169 nan 4.420 nan 0.000 0.272 603 P C 0.240 177.482 177.300 -0.096 0.000 1.223 603 P CA 0.106 63.142 63.100 -0.108 0.000 0.784 603 P CB 0.524 32.157 31.700 -0.111 0.000 0.923 604 R N 1.504 121.942 120.500 -0.103 0.000 2.774 604 R HA 0.048 4.403 4.340 0.025 0.000 0.269 604 R C 1.727 177.987 176.300 -0.066 0.000 1.068 604 R CA -0.092 55.965 56.100 -0.071 0.000 1.180 604 R CB 0.089 30.357 30.300 -0.053 0.000 1.077 604 R HN 0.514 nan 8.270 nan 0.000 0.513 605 K N 0.665 121.042 120.400 -0.037 0.000 2.262 605 K HA -0.068 4.267 4.320 0.025 0.000 0.200 605 K C 1.245 177.832 176.600 -0.020 0.000 1.049 605 K CA 0.813 57.081 56.287 -0.031 0.000 0.979 605 K CB 0.229 32.717 32.500 -0.020 0.000 0.773 605 K HN 0.564 nan 8.250 nan 0.000 0.474 606 E N 1.849 122.049 120.200 -0.001 0.000 2.435 606 E HA -0.046 4.319 4.350 0.025 0.000 0.195 606 E C 1.743 178.356 176.600 0.022 0.000 1.029 606 E CA 0.464 56.879 56.400 0.024 0.000 0.865 606 E CB -0.401 29.333 29.700 0.057 0.000 0.833 606 E HN 0.181 nan 8.360 nan 0.000 0.510 607 V N 1.941 121.823 119.914 -0.052 0.000 2.261 607 V HA -0.298 3.837 4.120 0.025 0.000 0.246 607 V C 2.764 178.804 176.094 -0.091 0.000 1.047 607 V CA 2.310 64.518 62.300 -0.154 0.000 1.015 607 V CB -0.694 30.919 31.823 -0.350 0.000 0.642 607 V HN 0.264 nan 8.190 nan 0.000 0.446 608 M N 0.492 120.044 119.600 -0.081 0.000 2.089 608 M HA -0.199 4.296 4.480 0.025 0.000 0.257 608 M C 2.023 178.310 176.300 -0.022 0.000 1.071 608 M CA 2.623 57.889 55.300 -0.056 0.000 1.096 608 M CB -0.750 31.821 32.600 -0.047 0.000 1.330 608 M HN 0.396 nan 8.290 nan 0.000 0.403 609 G N -1.063 107.733 108.800 -0.006 0.000 2.421 609 G HA2 -0.205 3.770 3.960 0.025 0.000 0.216 609 G HA3 -0.205 3.770 3.960 0.025 0.000 0.216 609 G C 1.377 176.298 174.900 0.033 0.000 1.171 609 G CA 1.077 46.184 45.100 0.011 0.000 0.775 609 G HN 0.578 nan 8.290 nan 0.000 0.543 610 S N 0.720 116.460 115.700 0.067 0.000 2.400 610 S HA -0.068 4.417 4.470 0.025 0.000 0.232 610 S C 2.202 176.864 174.600 0.103 0.000 1.025 610 S CA 0.812 59.084 58.200 0.121 0.000 0.993 610 S CB -0.120 63.247 63.200 0.279 0.000 0.808 610 S HN 0.274 nan 8.310 nan 0.000 0.478 611 I N 1.401 122.008 120.570 0.062 0.000 2.353 611 I HA -0.092 4.093 4.170 0.025 0.000 0.248 611 I C 2.634 178.762 176.117 0.019 0.000 1.119 611 I CA 1.209 62.533 61.300 0.040 0.000 1.417 611 I CB -1.040 36.949 38.000 -0.019 0.000 1.078 611 I HN 0.305 nan 8.210 nan 0.000 0.421 612 Q N 1.399 121.206 119.800 0.010 0.000 2.123 612 Q HA -0.081 4.274 4.340 0.025 0.000 0.199 612 Q C 2.164 178.168 176.000 0.007 0.000 0.966 612 Q CA 1.437 57.242 55.803 0.003 0.000 0.845 612 Q CB -0.355 28.383 28.738 -0.000 0.000 0.907 612 Q HN 0.495 nan 8.270 nan 0.000 0.439 613 L N -0.926 120.306 121.223 0.015 0.000 2.201 613 L HA -0.152 4.203 4.340 0.025 0.000 0.212 613 L C 2.351 179.226 176.870 0.009 0.000 1.105 613 L CA 0.599 55.446 54.840 0.011 0.000 0.775 613 L CB -0.434 41.633 42.059 0.013 0.000 0.913 613 L HN 0.284 nan 8.230 nan 0.000 0.440 614 C N -0.581 118.729 119.300 0.017 0.000 2.450 614 C HA -0.102 4.373 4.460 0.025 0.000 0.279 614 C C 2.988 177.979 174.990 0.002 0.000 1.335 614 C CA 0.457 59.481 59.018 0.011 0.000 1.749 614 C CB -0.840 26.916 27.740 0.026 0.000 1.963 614 C HN 0.470 nan 8.230 nan 0.000 0.501 615 R N 1.062 121.564 120.500 0.003 0.000 2.075 615 R HA -0.119 4.236 4.340 0.025 0.000 0.232 615 R C 1.529 177.826 176.300 -0.005 0.000 1.126 615 R CA 1.657 57.755 56.100 -0.003 0.000 0.963 615 R CB -0.269 30.028 30.300 -0.004 0.000 0.858 615 R HN 0.483 nan 8.270 nan 0.000 0.435 616 D N 0.088 120.486 120.400 -0.004 0.000 2.219 616 D HA -0.094 4.561 4.640 0.025 0.000 0.205 616 D C 0.994 177.289 176.300 -0.009 0.000 0.970 616 D CA 1.207 55.203 54.000 -0.006 0.000 0.851 616 D CB 0.036 40.833 40.800 -0.005 0.000 0.943 616 D HN 0.320 nan 8.370 nan 0.000 0.488 617 A N -0.078 122.736 122.820 -0.010 0.000 2.411 617 A HA 0.464 4.799 4.320 0.025 0.000 0.251 617 A C 1.542 179.116 177.584 -0.018 0.000 1.317 617 A CA 0.570 52.598 52.037 -0.015 0.000 0.904 617 A CB -0.466 18.523 19.000 -0.017 0.000 0.993 617 A HN 0.172 nan 8.150 nan 0.000 0.504 618 G N -0.270 108.521 108.800 -0.015 0.000 2.198 618 G HA2 -0.234 3.741 3.960 0.025 0.000 0.260 618 G HA3 -0.234 3.741 3.960 0.025 0.000 0.260 618 G C 0.013 174.903 174.900 -0.016 0.000 1.025 618 G CA 0.522 45.612 45.100 -0.016 0.000 0.769 618 G HN 0.537 nan 8.290 nan 0.000 0.507 619 I N 0.326 120.888 120.570 -0.012 0.000 2.336 619 I HA 0.356 4.541 4.170 0.025 0.000 0.292 619 I C 0.940 177.055 176.117 -0.004 0.000 0.991 619 I CA -0.878 60.417 61.300 -0.009 0.000 1.227 619 I CB 1.243 39.238 38.000 -0.008 0.000 1.366 619 I HN -0.017 nan 8.210 nan 0.000 0.466 620 R N 4.509 125.007 120.500 -0.002 0.000 2.390 620 R HA 0.466 4.821 4.340 0.025 0.000 0.291 620 R C -1.001 175.305 176.300 0.009 0.000 1.070 620 R CA -0.448 55.652 56.100 -0.000 0.000 1.014 620 R CB 1.626 31.927 30.300 0.003 0.000 1.007 620 R HN 0.359 nan 8.270 nan 0.000 0.466 621 V N 6.146 126.060 119.914 -0.000 0.000 2.398 621 V HA 0.438 4.573 4.120 0.025 0.000 0.286 621 V C 0.235 176.319 176.094 -0.017 0.000 1.026 621 V CA -0.509 61.795 62.300 0.006 0.000 0.868 621 V CB 1.607 33.439 31.823 0.015 0.000 0.982 621 V HN 0.614 nan 8.190 nan 0.000 0.443 622 I N 5.013 125.592 120.570 0.016 0.000 2.466 622 I HA 0.437 4.622 4.170 0.025 0.000 0.289 622 I C -0.189 175.952 176.117 0.041 0.000 1.026 622 I CA -0.417 60.906 61.300 0.039 0.000 1.078 622 I CB 1.956 40.023 38.000 0.111 0.000 1.249 622 I HN 0.563 nan 8.210 nan 0.000 0.429 623 M N 7.789 127.398 119.600 0.016 0.000 2.146 623 M HA 0.503 4.998 4.480 0.025 0.000 0.357 623 M C -1.358 175.005 176.300 0.105 0.000 1.261 623 M CA -0.075 55.237 55.300 0.020 0.000 1.106 623 M CB 0.512 33.086 32.600 -0.044 0.000 1.612 623 M HN 0.444 nan 8.290 nan 0.000 0.470 624 I N 4.309 124.924 120.570 0.075 0.000 2.420 624 I HA 0.294 4.479 4.170 0.025 0.000 0.282 624 I C -0.401 175.739 176.117 0.040 0.000 1.019 624 I CA -0.417 60.929 61.300 0.077 0.000 1.130 624 I CB 1.847 39.857 38.000 0.017 0.000 1.262 624 I HN 0.551 nan 8.210 nan 0.000 0.454 625 T N 3.377 117.959 114.554 0.048 0.000 2.848 625 T HA 0.402 4.767 4.350 0.025 0.000 0.285 625 T C 1.149 175.863 174.700 0.024 0.000 0.995 625 T CA -0.321 61.794 62.100 0.026 0.000 0.970 625 T CB 1.614 70.492 68.868 0.016 0.000 0.976 625 T HN 0.763 nan 8.240 nan 0.000 0.441 626 G N 2.996 111.804 108.800 0.013 0.000 2.535 626 G HA2 -0.045 3.930 3.960 0.025 0.000 0.218 626 G HA3 -0.045 3.930 3.960 0.025 0.000 0.218 626 G C 0.602 175.509 174.900 0.012 0.000 1.122 626 G CA 0.211 45.318 45.100 0.010 0.000 0.769 626 G HN 0.669 nan 8.290 nan 0.000 0.549 627 D N -0.056 120.351 120.400 0.012 0.000 2.411 627 D HA 0.122 4.777 4.640 0.025 0.000 0.251 627 D C 0.318 176.629 176.300 0.017 0.000 1.201 627 D CA -0.696 53.312 54.000 0.013 0.000 0.996 627 D CB 0.440 41.244 40.800 0.008 0.000 1.101 627 D HN -0.105 nan 8.370 nan 0.000 0.504 628 N N 0.900 119.611 118.700 0.018 0.000 2.444 628 N HA -0.013 4.742 4.740 0.025 0.000 0.255 628 N C 0.872 176.392 175.510 0.015 0.000 1.255 628 N CA -0.198 52.863 53.050 0.019 0.000 0.933 628 N CB 0.824 39.325 38.487 0.023 0.000 1.143 628 N HN 0.394 nan 8.380 nan 0.000 0.453 629 K N 1.115 121.523 120.400 0.012 0.000 2.026 629 K HA -0.114 4.221 4.320 0.025 0.000 0.208 629 K C 1.721 178.322 176.600 0.003 0.000 1.048 629 K CA 1.498 57.787 56.287 0.003 0.000 0.929 629 K CB -0.482 32.010 32.500 -0.012 0.000 0.713 629 K HN 0.687 nan 8.250 nan 0.000 0.439 630 G N 0.014 108.816 108.800 0.004 0.000 2.440 630 G HA2 -0.237 3.738 3.960 0.025 0.000 0.218 630 G HA3 -0.237 3.738 3.960 0.025 0.000 0.218 630 G C 1.421 176.328 174.900 0.012 0.000 1.154 630 G CA 1.443 46.546 45.100 0.006 0.000 0.767 630 G HN 0.331 nan 8.290 nan 0.000 0.552 631 T N 1.650 116.212 114.554 0.012 0.000 2.737 631 T HA 0.102 4.467 4.350 0.025 0.000 0.265 631 T C 2.842 177.547 174.700 0.007 0.000 1.038 631 T CA 1.391 63.496 62.100 0.008 0.000 1.144 631 T CB -0.484 68.387 68.868 0.006 0.000 0.866 631 T HN 0.387 nan 8.240 nan 0.000 0.434 632 A N 1.690 124.516 122.820 0.011 0.000 1.881 632 A HA -0.191 4.144 4.320 0.025 0.000 0.219 632 A C 2.277 179.885 177.584 0.039 0.000 1.215 632 A CA 1.903 53.948 52.037 0.014 0.000 0.648 632 A CB -1.124 17.888 19.000 0.021 0.000 0.832 632 A HN 0.512 nan 8.150 nan 0.000 0.455 633 I N -0.587 120.027 120.570 0.073 0.000 2.099 633 I HA -0.335 3.850 4.170 0.025 0.000 0.239 633 I C 3.051 179.237 176.117 0.115 0.000 1.066 633 I CA 1.324 62.713 61.300 0.148 0.000 1.324 633 I CB -0.527 37.518 38.000 0.074 0.000 1.037 633 I HN 0.412 nan 8.210 nan 0.000 0.401 634 A N 0.913 123.764 122.820 0.051 0.000 1.917 634 A HA -0.226 4.109 4.320 0.025 0.000 0.219 634 A C 2.254 179.846 177.584 0.013 0.000 1.182 634 A CA 1.717 53.771 52.037 0.029 0.000 0.633 634 A CB -0.732 18.274 19.000 0.011 0.000 0.819 634 A HN 0.381 nan 8.150 nan 0.000 0.448 635 I N -0.403 120.166 120.570 -0.002 0.000 2.252 635 I HA -0.222 3.963 4.170 0.025 0.000 0.245 635 I C 2.612 178.699 176.117 -0.049 0.000 1.102 635 I CA 0.932 62.212 61.300 -0.034 0.000 1.385 635 I CB -1.594 36.376 38.000 -0.049 0.000 1.064 635 I HN 0.388 nan 8.210 nan 0.000 0.414 636 C N 0.655 119.930 119.300 -0.042 0.000 2.403 636 C HA -0.177 4.298 4.460 0.025 0.000 0.277 636 C C 2.916 177.874 174.990 -0.052 0.000 1.248 636 C CA 0.825 59.768 59.018 -0.126 0.000 1.762 636 C CB -1.148 26.427 27.740 -0.275 0.000 2.014 636 C HN 0.442 nan 8.230 nan 0.000 0.486 637 R N 0.137 120.674 120.500 0.061 0.000 2.119 637 R HA -0.017 4.338 4.340 0.025 0.000 0.222 637 R C 2.379 178.684 176.300 0.008 0.000 1.088 637 R CA 0.873 57.019 56.100 0.076 0.000 0.984 637 R CB -0.219 30.135 30.300 0.091 0.000 0.884 637 R HN 0.605 nan 8.270 nan 0.000 0.447 638 R N 0.956 121.445 120.500 -0.018 0.000 2.090 638 R HA -0.001 4.354 4.340 0.025 0.000 0.228 638 R C 2.099 178.368 176.300 -0.051 0.000 1.110 638 R CA 1.102 57.182 56.100 -0.034 0.000 0.973 638 R CB -0.306 29.967 30.300 -0.045 0.000 0.869 638 R HN 0.323 nan 8.270 nan 0.000 0.440 639 I N -2.268 118.258 120.570 -0.073 0.000 3.749 639 I HA 0.351 4.536 4.170 0.025 0.000 0.314 639 I C 0.810 176.877 176.117 -0.084 0.000 1.267 639 I CA 0.461 61.706 61.300 -0.092 0.000 1.169 639 I CB 0.091 38.009 38.000 -0.137 0.000 1.009 639 I HN 0.228 nan 8.210 nan 0.000 0.444 640 G N 2.004 110.768 108.800 -0.061 0.000 2.184 640 G HA2 -0.321 3.654 3.960 0.025 0.000 0.264 640 G HA3 -0.321 3.654 3.960 0.025 0.000 0.264 640 G C 0.790 175.638 174.900 -0.088 0.000 0.975 640 G CA 0.616 45.685 45.100 -0.051 0.000 0.642 640 G HN 0.550 nan 8.290 nan 0.000 0.536 641 I N -0.911 119.555 120.570 -0.173 0.000 2.423 641 I HA 0.063 4.248 4.170 0.025 0.000 0.254 641 I C 1.103 176.991 176.117 -0.382 0.000 1.151 641 I CA 1.226 62.333 61.300 -0.322 0.000 1.421 641 I CB -0.158 37.556 38.000 -0.476 0.000 1.079 641 I HN 0.241 nan 8.210 nan 0.000 0.431 642 F N -0.803 119.125 119.950 -0.037 0.000 2.599 642 F HA 0.524 5.066 4.527 0.025 0.000 0.311 642 F C 0.777 176.556 175.800 -0.035 0.000 1.076 642 F CA -1.162 56.814 58.000 -0.039 0.000 0.937 642 F CB 1.491 40.462 39.000 -0.049 0.000 1.282 642 F HN -0.251 nan 8.300 nan 0.000 0.460 643 G N 0.559 109.470 108.800 0.186 0.000 2.572 643 G HA2 0.177 4.152 3.960 0.025 0.000 0.261 643 G HA3 0.177 4.152 3.960 0.025 0.000 0.261 643 G C 0.411 175.352 174.900 0.069 0.000 1.197 643 G CA -0.373 44.778 45.100 0.085 0.000 0.870 643 G HN 0.840 nan 8.290 nan 0.000 0.548 644 E N 0.044 120.266 120.200 0.036 0.000 2.267 644 E HA -0.144 4.221 4.350 0.025 0.000 0.197 644 E C 0.736 177.339 176.600 0.006 0.000 0.998 644 E CA 1.316 57.729 56.400 0.022 0.000 0.830 644 E CB 0.067 29.772 29.700 0.009 0.000 0.751 644 E HN 0.593 nan 8.360 nan 0.000 0.491 645 N N 0.106 118.804 118.700 -0.004 0.000 2.240 645 N HA 0.027 4.782 4.740 0.025 0.000 0.240 645 N C -0.594 174.886 175.510 -0.049 0.000 1.277 645 N CA -0.146 52.888 53.050 -0.027 0.000 0.873 645 N CB 0.903 39.377 38.487 -0.022 0.000 1.222 645 N HN 0.047 nan 8.380 nan 0.000 0.507 646 E N 1.678 121.850 120.200 -0.047 0.000 2.437 646 E HA -0.061 4.304 4.350 0.025 0.000 0.263 646 E C -0.315 176.187 176.600 -0.163 0.000 1.030 646 E CA 0.265 56.617 56.400 -0.080 0.000 0.934 646 E CB 0.646 30.326 29.700 -0.034 0.000 0.943 646 E HN 0.082 nan 8.360 nan 0.000 0.444 647 E N 2.091 122.198 120.200 -0.155 0.000 2.354 647 E HA 0.091 4.456 4.350 0.025 0.000 0.269 647 E C 0.100 176.520 176.600 -0.301 0.000 1.036 647 E CA 0.032 56.316 56.400 -0.193 0.000 0.876 647 E CB 1.699 31.318 29.700 -0.135 0.000 1.009 647 E HN 0.463 nan 8.360 nan 0.000 0.416 648 V N -0.042 119.650 119.914 -0.371 0.000 3.199 648 V HA 0.308 4.443 4.120 0.025 0.000 0.331 648 V C 1.279 177.145 176.094 -0.380 0.000 1.446 648 V CA 0.452 62.440 62.300 -0.519 0.000 1.120 648 V CB 0.226 31.419 31.823 -1.049 0.000 1.051 648 V HN 0.612 nan 8.190 nan 0.000 0.495 649 A N 2.583 125.241 122.820 -0.270 0.000 1.909 649 A HA -0.303 4.032 4.320 0.025 0.000 0.221 649 A C 1.732 179.150 177.584 -0.276 0.000 1.223 649 A CA 2.821 54.720 52.037 -0.230 0.000 0.658 649 A CB -0.704 18.207 19.000 -0.149 0.000 0.831 649 A HN 0.890 nan 8.150 nan 0.000 0.462 650 D N -2.234 118.045 120.400 -0.202 0.000 2.388 650 D HA 0.088 4.743 4.640 0.025 0.000 0.221 650 D C 1.190 177.424 176.300 -0.111 0.000 1.133 650 D CA 0.007 53.935 54.000 -0.119 0.000 0.831 650 D CB -0.163 40.633 40.800 -0.007 0.000 0.962 650 D HN 0.566 nan 8.370 nan 0.000 0.502 651 R N -0.247 120.105 120.500 -0.247 0.000 2.509 651 R HA 0.474 4.829 4.340 0.025 0.000 0.297 651 R C -0.006 176.200 176.300 -0.157 0.000 0.951 651 R CA -0.068 55.970 56.100 -0.104 0.000 1.103 651 R CB 1.574 31.824 30.300 -0.082 0.000 1.283 651 R HN 0.102 nan 8.270 nan 0.000 0.534 652 A N 0.749 123.289 122.820 -0.467 0.000 2.427 652 A HA 0.704 5.039 4.320 0.025 0.000 0.298 652 A C -1.641 175.489 177.584 -0.756 0.000 1.036 652 A CA -0.486 51.286 52.037 -0.441 0.000 0.701 652 A CB 1.035 19.901 19.000 -0.224 0.000 1.250 652 A HN 0.131 nan 8.150 nan 0.000 0.412 653 Y N 0.078 120.208 120.300 -0.283 0.000 2.553 653 Y HA 0.601 5.166 4.550 0.025 0.000 0.347 653 Y C 0.913 176.798 175.900 -0.026 0.000 1.019 653 Y CA -0.353 57.688 58.100 -0.098 0.000 1.032 653 Y CB 2.343 40.827 38.460 0.040 0.000 1.284 653 Y HN 0.777 nan 8.280 nan 0.000 0.466 654 T N -2.032 112.626 114.554 0.173 0.000 2.913 654 T HA 0.343 4.708 4.350 0.025 0.000 0.287 654 T C 1.392 176.176 174.700 0.140 0.000 1.008 654 T CA -0.112 62.059 62.100 0.119 0.000 1.067 654 T CB 1.374 70.290 68.868 0.081 0.000 0.996 654 T HN 0.906 nan 8.240 nan 0.000 0.513 655 G N 1.569 110.346 108.800 -0.038 0.000 2.679 655 G HA2 -0.395 3.580 3.960 0.025 0.000 0.222 655 G HA3 -0.395 3.580 3.960 0.025 0.000 0.222 655 G C 1.587 176.483 174.900 -0.007 0.000 1.164 655 G CA 1.467 46.373 45.100 -0.322 0.000 0.769 655 G HN 0.795 nan 8.290 nan 0.000 0.610 656 R N 0.702 121.250 120.500 0.080 0.000 2.073 656 R HA 0.085 4.440 4.340 0.025 0.000 0.229 656 R C 2.555 178.945 176.300 0.150 0.000 1.120 656 R CA 1.689 57.865 56.100 0.126 0.000 0.967 656 R CB -0.450 29.911 30.300 0.102 0.000 0.862 656 R HN 0.552 nan 8.270 nan 0.000 0.436 657 E N -0.615 119.693 120.200 0.178 0.000 2.085 657 E HA -0.219 4.146 4.350 0.025 0.000 0.194 657 E C 1.662 178.390 176.600 0.215 0.000 0.994 657 E CA 1.536 58.067 56.400 0.217 0.000 0.801 657 E CB -0.316 29.570 29.700 0.311 0.000 0.743 657 E HN 0.336 nan 8.360 nan 0.000 0.453 658 F N 2.214 122.217 119.950 0.088 0.000 2.134 658 F HA -0.197 4.345 4.527 0.025 0.000 0.299 658 F C 1.598 177.423 175.800 0.043 0.000 1.097 658 F CA 1.517 59.525 58.000 0.014 0.000 1.264 658 F CB 0.018 39.071 39.000 0.089 0.000 1.001 658 F HN -0.124 nan 8.300 nan 0.000 0.479 659 D N 0.289 120.798 120.400 0.182 0.000 2.263 659 D HA -0.162 4.493 4.640 0.025 0.000 0.208 659 D C 1.656 177.960 176.300 0.007 0.000 0.971 659 D CA 1.174 55.238 54.000 0.106 0.000 0.867 659 D CB -0.456 40.475 40.800 0.217 0.000 0.929 659 D HN 0.411 nan 8.370 nan 0.000 0.492 660 D N -0.158 120.249 120.400 0.012 0.000 2.317 660 D HA 0.011 4.666 4.640 0.025 0.000 0.211 660 D C 0.789 177.052 176.300 -0.062 0.000 0.966 660 D CA 0.103 54.101 54.000 -0.004 0.000 0.876 660 D CB 0.442 41.261 40.800 0.032 0.000 0.927 660 D HN 0.238 nan 8.370 nan 0.000 0.519 661 L N 1.770 122.904 121.223 -0.147 0.000 2.397 661 L HA 0.186 4.541 4.340 0.025 0.000 0.271 661 L C -1.975 174.782 176.870 -0.189 0.000 1.148 661 L CA -1.605 53.121 54.840 -0.190 0.000 0.825 661 L CB 0.407 42.266 42.059 -0.333 0.000 1.117 661 L HN -0.310 nan 8.230 nan 0.000 0.456 662 P HA -0.034 nan 4.420 nan 0.000 0.269 662 P C 0.688 177.900 177.300 -0.147 0.000 1.217 662 P CA -0.424 62.610 63.100 -0.110 0.000 0.783 662 P CB 0.521 32.175 31.700 -0.078 0.000 0.898 663 L N 2.432 123.598 121.223 -0.096 0.000 2.010 663 L HA -0.294 4.061 4.340 0.025 0.000 0.219 663 L C 2.352 179.135 176.870 -0.144 0.000 1.077 663 L CA 2.679 57.476 54.840 -0.072 0.000 0.773 663 L CB -2.189 39.873 42.059 0.004 0.000 0.892 663 L HN 0.455 nan 8.230 nan 0.000 0.436 664 A N -1.322 121.433 122.820 -0.107 0.000 1.933 664 A HA -0.222 4.113 4.320 0.025 0.000 0.218 664 A C 2.206 179.703 177.584 -0.145 0.000 1.175 664 A CA 1.752 53.722 52.037 -0.111 0.000 0.628 664 A CB -0.491 18.474 19.000 -0.059 0.000 0.814 664 A HN 0.577 nan 8.150 nan 0.000 0.444 665 E N -0.467 119.643 120.200 -0.151 0.000 2.072 665 E HA -0.204 4.161 4.350 0.025 0.000 0.191 665 E C 2.277 178.730 176.600 -0.244 0.000 0.985 665 E CA 1.180 57.486 56.400 -0.157 0.000 0.801 665 E CB -0.206 29.415 29.700 -0.133 0.000 0.750 665 E HN 0.732 nan 8.360 nan 0.000 0.452 666 Q N 0.427 119.990 119.800 -0.395 0.000 2.096 666 Q HA -0.208 4.147 4.340 0.025 0.000 0.204 666 Q C 2.290 178.007 176.000 -0.472 0.000 0.982 666 Q CA 1.397 56.853 55.803 -0.578 0.000 0.850 666 Q CB -0.192 28.056 28.738 -0.817 0.000 0.901 666 Q HN 0.140 nan 8.270 nan 0.000 0.422 667 R N 0.830 120.909 120.500 -0.703 0.000 2.066 667 R HA -0.188 4.167 4.340 0.025 0.000 0.232 667 R C 2.121 178.373 176.300 -0.078 0.000 1.131 667 R CA 1.646 57.278 56.100 -0.780 0.000 0.955 667 R CB -0.069 29.828 30.300 -0.672 0.000 0.851 667 R HN 0.080 nan 8.270 nan 0.000 0.432 668 E N 0.755 120.952 120.200 -0.005 0.000 2.085 668 E HA -0.153 4.212 4.350 0.025 0.000 0.194 668 E C 1.712 178.374 176.600 0.102 0.000 0.994 668 E CA 1.840 58.305 56.400 0.108 0.000 0.801 668 E CB -0.322 29.409 29.700 0.051 0.000 0.743 668 E HN 0.463 nan 8.360 nan 0.000 0.453 669 A N -0.109 122.761 122.820 0.082 0.000 1.978 669 A HA -0.207 4.128 4.320 0.025 0.000 0.220 669 A C 2.387 180.213 177.584 0.402 0.000 1.170 669 A CA 1.517 53.672 52.037 0.197 0.000 0.636 669 A CB -0.972 18.079 19.000 0.086 0.000 0.810 669 A HN 0.524 nan 8.150 nan 0.000 0.448 670 C N -0.725 118.780 119.300 0.341 0.000 2.466 670 C HA 0.079 4.554 4.460 0.025 0.000 0.283 670 C C 2.523 177.647 174.990 0.224 0.000 1.472 670 C CA 0.445 59.658 59.018 0.325 0.000 1.765 670 C CB -1.304 26.566 27.740 0.216 0.000 1.724 670 C HN 0.495 nan 8.230 nan 0.000 0.560 671 R N 0.177 120.751 120.500 0.123 0.000 2.195 671 R HA 0.108 4.463 4.340 0.025 0.000 0.197 671 R C 2.264 178.589 176.300 0.041 0.000 0.990 671 R CA 0.140 56.225 56.100 -0.025 0.000 1.048 671 R CB -0.383 29.773 30.300 -0.240 0.000 0.997 671 R HN 0.502 nan 8.270 nan 0.000 0.502 672 R N 0.908 121.469 120.500 0.102 0.000 2.127 672 R HA 0.170 4.525 4.340 0.025 0.000 0.217 672 R C 0.208 176.596 176.300 0.147 0.000 1.074 672 R CA 0.674 56.837 56.100 0.104 0.000 0.991 672 R CB 0.330 30.696 30.300 0.111 0.000 0.895 672 R HN 0.038 nan 8.270 nan 0.000 0.450 673 A N -0.677 122.272 122.820 0.216 0.000 2.294 673 A HA 0.418 4.753 4.320 0.025 0.000 0.330 673 A C 0.115 177.784 177.584 0.142 0.000 1.133 673 A CA -0.701 51.426 52.037 0.150 0.000 0.836 673 A CB 1.546 20.571 19.000 0.042 0.000 1.190 673 A HN 0.409 nan 8.150 nan 0.000 0.492 674 C N -0.524 118.817 119.300 0.068 0.000 3.559 674 C HA 0.379 4.854 4.460 0.025 0.000 0.314 674 C C 0.349 175.296 174.990 -0.071 0.000 1.419 674 C CA -0.168 58.852 59.018 0.003 0.000 1.775 674 C CB -0.976 26.694 27.740 -0.118 0.000 2.430 674 C HN 0.807 nan 8.230 nan 0.000 0.686 675 C N 1.624 120.857 119.300 -0.112 0.000 2.442 675 C HA 0.705 5.180 4.460 0.025 0.000 0.335 675 C C -1.417 173.392 174.990 -0.302 0.000 1.134 675 C CA -0.535 58.428 59.018 -0.092 0.000 1.344 675 C CB -0.918 26.875 27.740 0.088 0.000 1.956 675 C HN 0.440 nan 8.230 nan 0.000 0.438 676 F N 4.880 124.849 119.950 0.031 0.000 2.445 676 F HA 0.681 5.223 4.527 0.025 0.000 0.348 676 F C 0.536 176.318 175.800 -0.030 0.000 1.125 676 F CA -0.129 57.868 58.000 -0.005 0.000 0.983 676 F CB 1.479 40.419 39.000 -0.100 0.000 1.198 676 F HN 0.773 nan 8.300 nan 0.000 0.436 677 A N 2.695 125.579 122.820 0.107 0.000 2.350 677 A HA 0.785 5.120 4.320 0.025 0.000 0.318 677 A C 0.523 178.129 177.584 0.036 0.000 1.132 677 A CA -1.123 50.947 52.037 0.055 0.000 0.811 677 A CB 0.984 20.001 19.000 0.029 0.000 1.313 677 A HN 0.855 nan 8.150 nan 0.000 0.454 678 R N -1.071 119.445 120.500 0.026 0.000 3.251 678 R HA -0.149 4.206 4.340 0.025 0.000 0.249 678 R C -0.306 176.000 176.300 0.009 0.000 0.949 678 R CA 0.678 56.791 56.100 0.021 0.000 0.645 678 R CB -2.051 28.265 30.300 0.027 0.000 1.065 678 R HN 1.516 nan 8.270 nan 0.000 0.452 679 V N -2.128 117.795 119.914 0.015 0.000 2.975 679 V HA 0.619 4.754 4.120 0.025 0.000 0.318 679 V C 0.500 176.703 176.094 0.183 0.000 1.077 679 V CA -0.755 61.576 62.300 0.051 0.000 1.000 679 V CB 1.963 33.773 31.823 -0.022 0.000 1.066 679 V HN 0.329 nan 8.190 nan 0.000 0.452 680 E N 2.408 122.898 120.200 0.482 0.000 2.292 680 E HA 0.360 4.725 4.350 0.025 0.000 0.258 680 E C -2.033 174.586 176.600 0.032 0.000 1.115 680 E CA -1.735 54.737 56.400 0.119 0.000 0.929 680 E CB 0.843 30.510 29.700 -0.056 0.000 1.161 680 E HN 0.495 nan 8.360 nan 0.000 0.453 681 P HA -0.163 nan 4.420 nan 0.000 0.214 681 P C 1.140 178.386 177.300 -0.091 0.000 1.163 681 P CA 1.378 64.433 63.100 -0.074 0.000 0.883 681 P CB 0.093 31.734 31.700 -0.099 0.000 0.788 682 S N -1.225 114.386 115.700 -0.149 0.000 2.400 682 S HA -0.275 4.210 4.470 0.025 0.000 0.234 682 S C 1.704 176.207 174.600 -0.161 0.000 1.049 682 S CA 1.659 59.751 58.200 -0.180 0.000 1.039 682 S CB -1.397 61.655 63.200 -0.247 0.000 0.856 682 S HN 0.421 nan 8.310 nan 0.000 0.465 683 H N 0.758 119.782 119.070 -0.076 0.000 2.421 683 H HA 0.019 4.590 4.556 0.025 0.000 0.298 683 H C 2.262 177.469 175.328 -0.201 0.000 1.087 683 H CA 1.186 57.160 56.048 -0.123 0.000 1.330 683 H CB 0.073 29.761 29.762 -0.123 0.000 1.388 683 H HN 0.311 nan 8.280 nan 0.000 0.526 684 K N 0.188 120.570 120.400 -0.030 0.000 2.062 684 K HA -0.084 4.251 4.320 0.025 0.000 0.205 684 K C 2.455 178.994 176.600 -0.102 0.000 1.051 684 K CA 1.416 57.652 56.287 -0.086 0.000 0.941 684 K CB 0.064 32.531 32.500 -0.054 0.000 0.719 684 K HN 0.303 nan 8.250 nan 0.000 0.440 685 S N 1.188 116.834 115.700 -0.090 0.000 2.414 685 S HA -0.092 4.393 4.470 0.025 0.000 0.227 685 S C 1.983 176.511 174.600 -0.120 0.000 1.022 685 S CA 0.903 59.047 58.200 -0.092 0.000 0.958 685 S CB 0.005 63.155 63.200 -0.083 0.000 0.797 685 S HN 0.104 nan 8.310 nan 0.000 0.493 686 K N 1.627 121.947 120.400 -0.132 0.000 2.057 686 K HA 0.104 4.439 4.320 0.025 0.000 0.207 686 K C 1.856 178.356 176.600 -0.167 0.000 1.049 686 K CA 1.496 57.673 56.287 -0.182 0.000 0.931 686 K CB -0.623 31.834 32.500 -0.071 0.000 0.714 686 K HN 0.475 nan 8.250 nan 0.000 0.440 687 I N -0.045 120.436 120.570 -0.149 0.000 2.179 687 I HA -0.295 3.890 4.170 0.025 0.000 0.242 687 I C 2.013 178.108 176.117 -0.036 0.000 1.088 687 I CA 0.982 62.194 61.300 -0.147 0.000 1.357 687 I CB -0.256 37.448 38.000 -0.494 0.000 1.051 687 I HN -0.029 nan 8.210 nan 0.000 0.409 688 V N 0.642 120.515 119.914 -0.069 0.000 2.252 688 V HA -0.379 3.756 4.120 0.025 0.000 0.249 688 V C 2.497 178.583 176.094 -0.013 0.000 1.056 688 V CA 2.389 64.671 62.300 -0.031 0.000 1.022 688 V CB -0.756 31.040 31.823 -0.046 0.000 0.641 688 V HN 0.508 nan 8.190 nan 0.000 0.445 689 E N -0.972 119.184 120.200 -0.075 0.000 2.070 689 E HA -0.258 4.107 4.350 0.025 0.000 0.197 689 E C 2.202 178.786 176.600 -0.026 0.000 1.004 689 E CA 2.056 58.394 56.400 -0.102 0.000 0.805 689 E CB -0.283 29.287 29.700 -0.217 0.000 0.744 689 E HN 0.764 nan 8.360 nan 0.000 0.451 690 Y N -0.311 119.993 120.300 0.007 0.000 2.145 690 Y HA -0.235 4.330 4.550 0.025 0.000 0.286 690 Y C 2.362 178.326 175.900 0.105 0.000 1.145 690 Y CA 0.203 58.318 58.100 0.024 0.000 1.148 690 Y CB 0.001 38.512 38.460 0.085 0.000 0.981 690 Y HN 0.158 nan 8.280 nan 0.000 0.507 691 L N 0.339 121.748 121.223 0.309 0.000 2.042 691 L HA -0.262 4.093 4.340 0.025 0.000 0.210 691 L C 2.119 179.131 176.870 0.237 0.000 1.076 691 L CA 1.770 56.791 54.840 0.301 0.000 0.749 691 L CB -1.182 40.975 42.059 0.164 0.000 0.893 691 L HN 0.326 nan 8.230 nan 0.000 0.432 692 Q N -1.395 118.482 119.800 0.129 0.000 2.369 692 Q HA -0.103 4.252 4.340 0.025 0.000 0.206 692 Q C 2.042 178.080 176.000 0.063 0.000 0.963 692 Q CA 1.225 57.075 55.803 0.078 0.000 0.894 692 Q CB -0.012 28.743 28.738 0.028 0.000 0.965 692 Q HN 0.621 nan 8.270 nan 0.000 0.475 693 S N -1.264 114.460 115.700 0.041 0.000 2.558 693 S HA -0.022 4.463 4.470 0.025 0.000 0.217 693 S C 0.977 175.502 174.600 -0.126 0.000 0.975 693 S CA -0.074 58.094 58.200 -0.053 0.000 0.912 693 S CB -0.063 63.086 63.200 -0.084 0.000 0.776 693 S HN 0.373 nan 8.310 nan 0.000 0.526 694 Y N 2.057 122.389 120.300 0.054 0.000 2.462 694 Y HA 0.255 4.820 4.550 0.025 0.000 0.293 694 Y C 0.462 176.377 175.900 0.025 0.000 1.195 694 Y CA -0.343 57.779 58.100 0.037 0.000 1.276 694 Y CB -0.254 38.228 38.460 0.036 0.000 1.082 694 Y HN 0.182 nan 8.280 nan 0.000 0.514 695 D N 0.715 121.200 120.400 0.142 0.000 2.911 695 D HA -0.214 4.441 4.640 0.025 0.000 0.227 695 D C -0.472 175.877 176.300 0.082 0.000 1.164 695 D CA 0.841 54.894 54.000 0.088 0.000 0.782 695 D CB -0.910 39.931 40.800 0.070 0.000 1.094 695 D HN 0.549 nan 8.370 nan 0.000 0.425 696 E N 0.185 120.449 120.200 0.106 0.000 2.289 696 E HA 0.218 4.583 4.350 0.025 0.000 0.278 696 E C 0.767 177.391 176.600 0.040 0.000 1.032 696 E CA -0.679 55.761 56.400 0.065 0.000 0.854 696 E CB 1.076 30.819 29.700 0.072 0.000 1.046 696 E HN 0.063 nan 8.360 nan 0.000 0.409 697 I N 3.179 123.757 120.570 0.014 0.000 2.436 697 I HA 0.040 4.225 4.170 0.025 0.000 0.289 697 I C 0.283 176.401 176.117 0.001 0.000 1.083 697 I CA 0.365 61.665 61.300 -0.000 0.000 1.372 697 I CB 0.140 38.128 38.000 -0.020 0.000 1.408 697 I HN 0.386 nan 8.210 nan 0.000 0.516 698 T N 6.322 120.878 114.554 0.003 0.000 2.812 698 T HA 0.690 5.055 4.350 0.025 0.000 0.282 698 T C 0.100 174.795 174.700 -0.007 0.000 0.990 698 T CA -0.520 61.583 62.100 0.005 0.000 0.960 698 T CB 1.748 70.626 68.868 0.016 0.000 0.948 698 T HN 0.686 nan 8.240 nan 0.000 0.438 699 A N 3.257 126.071 122.820 -0.011 0.000 2.282 699 A HA 0.908 5.243 4.320 0.025 0.000 0.319 699 A C -0.460 177.118 177.584 -0.010 0.000 1.121 699 A CA -0.712 51.313 52.037 -0.019 0.000 0.836 699 A CB 0.932 19.914 19.000 -0.030 0.000 1.146 699 A HN 0.707 nan 8.150 nan 0.000 0.494 700 M N 0.984 120.576 119.600 -0.015 0.000 2.327 700 M HA 0.531 5.026 4.480 0.025 0.000 0.298 700 M C -1.056 175.242 176.300 -0.002 0.000 1.065 700 M CA 0.056 55.353 55.300 -0.004 0.000 0.916 700 M CB 1.975 34.567 32.600 -0.013 0.000 1.630 700 M HN 0.562 nan 8.290 nan 0.000 0.442 701 T N 3.332 117.902 114.554 0.027 0.000 2.841 701 T HA 0.973 5.338 4.350 0.025 0.000 0.283 701 T C -0.213 174.527 174.700 0.066 0.000 1.000 701 T CA -0.376 61.749 62.100 0.043 0.000 0.977 701 T CB 1.571 70.516 68.868 0.129 0.000 0.979 701 T HN 0.951 nan 8.240 nan 0.000 0.446 702 G N 1.227 110.057 108.800 0.051 0.000 2.427 702 G HA2 0.499 4.474 3.960 0.025 0.000 0.306 702 G HA3 0.499 4.474 3.960 0.025 0.000 0.306 702 G C -1.129 173.791 174.900 0.034 0.000 1.280 702 G CA -0.317 44.810 45.100 0.046 0.000 0.837 702 G HN 0.584 nan 8.290 nan 0.000 0.482 703 D N -1.547 118.868 120.400 0.025 0.000 2.345 703 D HA 0.207 4.862 4.640 0.025 0.000 0.290 703 D C 0.993 177.302 176.300 0.016 0.000 1.107 703 D CA 0.821 54.835 54.000 0.024 0.000 0.836 703 D CB 0.195 41.014 40.800 0.031 0.000 1.406 703 D HN 0.855 nan 8.370 nan 0.000 0.532 704 G N 0.930 109.731 108.800 0.002 0.000 2.425 704 G HA2 0.415 4.390 3.960 0.025 0.000 0.302 704 G HA3 0.415 4.390 3.960 0.025 0.000 0.302 704 G C 1.215 176.093 174.900 -0.036 0.000 1.159 704 G CA -0.361 44.730 45.100 -0.016 0.000 0.865 704 G HN -0.062 nan 8.290 nan 0.000 0.515 705 V N 1.648 121.518 119.914 -0.074 0.000 2.453 705 V HA -0.241 3.894 4.120 0.025 0.000 0.252 705 V C 2.710 178.742 176.094 -0.104 0.000 1.068 705 V CA 2.115 64.343 62.300 -0.120 0.000 1.070 705 V CB -0.581 31.077 31.823 -0.274 0.000 0.664 705 V HN 0.891 nan 8.190 nan 0.000 0.461 706 N N -0.300 118.344 118.700 -0.092 0.000 2.459 706 N HA -0.147 4.607 4.740 0.025 0.000 0.181 706 N C 1.094 176.570 175.510 -0.057 0.000 1.046 706 N CA 1.280 54.281 53.050 -0.082 0.000 0.904 706 N CB -0.424 38.020 38.487 -0.072 0.000 0.964 706 N HN 0.437 nan 8.380 nan 0.000 0.444 707 D N 0.484 120.857 120.400 -0.044 0.000 2.348 707 D HA 0.163 4.818 4.640 0.025 0.000 0.211 707 D C 1.663 177.942 176.300 -0.034 0.000 0.998 707 D CA 0.404 54.385 54.000 -0.031 0.000 0.873 707 D CB 0.223 41.014 40.800 -0.015 0.000 0.925 707 D HN 0.394 nan 8.370 nan 0.000 0.524 708 A N 1.938 124.734 122.820 -0.040 0.000 1.873 708 A HA -0.067 4.268 4.320 0.025 0.000 0.215 708 A C -0.268 177.294 177.584 -0.037 0.000 1.186 708 A CA 0.986 53.003 52.037 -0.033 0.000 0.616 708 A CB -1.336 17.646 19.000 -0.030 0.000 0.823 708 A HN 0.142 nan 8.150 nan 0.000 0.442 709 P HA -0.193 nan 4.420 nan 0.000 0.215 709 P C 1.685 178.957 177.300 -0.047 0.000 1.157 709 P CA 2.216 65.287 63.100 -0.048 0.000 0.874 709 P CB -0.189 31.475 31.700 -0.061 0.000 0.790 710 A N -1.022 121.769 122.820 -0.048 0.000 1.972 710 A HA -0.137 4.198 4.320 0.025 0.000 0.219 710 A C 2.216 179.779 177.584 -0.035 0.000 1.169 710 A CA 1.348 53.358 52.037 -0.046 0.000 0.635 710 A CB -1.625 17.347 19.000 -0.046 0.000 0.810 710 A HN 0.140 nan 8.150 nan 0.000 0.446 711 L N -1.216 119.989 121.223 -0.030 0.000 2.217 711 L HA -0.082 4.272 4.340 0.025 0.000 0.211 711 L C 2.473 179.327 176.870 -0.027 0.000 1.107 711 L CA 1.313 56.138 54.840 -0.025 0.000 0.783 711 L CB -0.205 41.842 42.059 -0.021 0.000 0.919 711 L HN 0.217 nan 8.230 nan 0.000 0.442 712 K N 0.859 121.242 120.400 -0.029 0.000 2.103 712 K HA -0.166 4.169 4.320 0.025 0.000 0.204 712 K C 2.045 178.627 176.600 -0.030 0.000 1.052 712 K CA 1.425 57.695 56.287 -0.028 0.000 0.945 712 K CB 0.037 32.520 32.500 -0.028 0.000 0.722 712 K HN -0.056 nan 8.250 nan 0.000 0.443 713 K N 0.016 120.395 120.400 -0.035 0.000 2.243 713 K HA 0.234 4.569 4.320 0.025 0.000 0.201 713 K C 0.224 176.806 176.600 -0.031 0.000 1.051 713 K CA 0.551 56.816 56.287 -0.037 0.000 0.970 713 K CB -0.193 32.279 32.500 -0.048 0.000 0.755 713 K HN 0.170 nan 8.250 nan 0.000 0.465 714 A N 0.930 123.733 122.820 -0.028 0.000 2.475 714 A HA 0.013 4.348 4.320 0.025 0.000 0.239 714 A C 0.767 178.338 177.584 -0.021 0.000 1.087 714 A CA 0.075 52.099 52.037 -0.023 0.000 0.779 714 A CB 0.110 19.097 19.000 -0.022 0.000 1.036 714 A HN 0.397 nan 8.150 nan 0.000 0.506 715 E N -0.592 119.597 120.200 -0.018 0.000 2.110 715 E HA -0.000 4.365 4.350 0.025 0.000 0.193 715 E C 0.445 177.031 176.600 -0.024 0.000 0.988 715 E CA 1.331 57.720 56.400 -0.019 0.000 0.804 715 E CB 0.058 29.749 29.700 -0.016 0.000 0.745 715 E HN 0.554 nan 8.360 nan 0.000 0.458 716 I N -0.309 120.245 120.570 -0.027 0.000 2.569 716 I HA 0.435 4.620 4.170 0.025 0.000 0.290 716 I C -0.739 175.358 176.117 -0.034 0.000 1.088 716 I CA -0.986 60.294 61.300 -0.033 0.000 1.047 716 I CB 1.771 39.748 38.000 -0.038 0.000 1.237 716 I HN 0.010 nan 8.210 nan 0.000 0.421 717 G N 7.854 116.634 108.800 -0.034 0.000 2.320 717 G HA2 0.598 4.573 3.960 0.025 0.000 0.300 717 G HA3 0.598 4.573 3.960 0.025 0.000 0.300 717 G C -0.897 173.980 174.900 -0.038 0.000 1.126 717 G CA -0.387 44.694 45.100 -0.032 0.000 0.896 717 G HN 0.520 nan 8.290 nan 0.000 0.436 718 I N 2.197 122.741 120.570 -0.042 0.000 2.355 718 I HA 0.489 4.674 4.170 0.025 0.000 0.288 718 I C 0.546 176.644 176.117 -0.031 0.000 0.999 718 I CA -0.554 60.715 61.300 -0.053 0.000 1.163 718 I CB 1.960 39.903 38.000 -0.094 0.000 1.316 718 I HN 0.513 nan 8.210 nan 0.000 0.454 719 A N 7.625 130.432 122.820 -0.022 0.000 2.303 719 A HA 0.828 5.163 4.320 0.025 0.000 0.317 719 A C 0.040 177.627 177.584 0.005 0.000 1.149 719 A CA -0.741 51.295 52.037 -0.003 0.000 0.822 719 A CB 0.749 19.747 19.000 -0.002 0.000 1.131 719 A HN 0.614 nan 8.150 nan 0.000 0.493 720 M N 2.043 121.658 119.600 0.025 0.000 2.242 720 M HA 0.176 4.671 4.480 0.025 0.000 0.344 720 M C 1.557 177.870 176.300 0.021 0.000 1.140 720 M CA 0.281 55.599 55.300 0.031 0.000 1.160 720 M CB 0.093 32.725 32.600 0.053 0.000 1.491 720 M HN 0.891 nan 8.290 nan 0.000 0.459 721 G N 1.606 110.417 108.800 0.018 0.000 2.476 721 G HA2 -0.199 3.776 3.960 0.025 0.000 0.218 721 G HA3 -0.199 3.776 3.960 0.025 0.000 0.218 721 G C 1.174 176.084 174.900 0.017 0.000 1.164 721 G CA 1.200 46.308 45.100 0.013 0.000 0.768 721 G HN 0.762 nan 8.290 nan 0.000 0.560 722 S N 0.527 116.240 115.700 0.022 0.000 2.650 722 S HA 0.364 4.849 4.470 0.025 0.000 0.219 722 S C 1.280 175.897 174.600 0.029 0.000 0.960 722 S CA 0.129 58.343 58.200 0.023 0.000 0.925 722 S CB 0.304 63.520 63.200 0.026 0.000 0.775 722 S HN 0.569 nan 8.310 nan 0.000 0.525 723 G N 1.881 110.699 108.800 0.030 0.000 2.543 723 G HA2 0.475 4.450 3.960 0.025 0.000 0.267 723 G HA3 0.475 4.450 3.960 0.025 0.000 0.267 723 G C 0.097 175.021 174.900 0.040 0.000 1.406 723 G CA -0.259 44.862 45.100 0.035 0.000 1.048 723 G HN 0.386 nan 8.290 nan 0.000 0.548 724 T N -2.598 111.985 114.554 0.049 0.000 2.860 724 T HA 0.422 4.787 4.350 0.025 0.000 0.299 724 T C 1.614 176.349 174.700 0.058 0.000 1.045 724 T CA 0.485 62.627 62.100 0.070 0.000 1.071 724 T CB 1.353 70.275 68.868 0.089 0.000 0.985 724 T HN 0.875 nan 8.240 nan 0.000 0.537 725 A N 1.950 124.811 122.820 0.068 0.000 1.902 725 A HA 0.022 4.357 4.320 0.025 0.000 0.217 725 A C 2.422 180.039 177.584 0.055 0.000 1.181 725 A CA 1.544 53.612 52.037 0.050 0.000 0.623 725 A CB -1.191 17.835 19.000 0.043 0.000 0.818 725 A HN 0.767 nan 8.150 nan 0.000 0.443 726 V N -0.043 119.924 119.914 0.088 0.000 2.255 726 V HA -0.303 3.832 4.120 0.025 0.000 0.247 726 V C 3.081 179.193 176.094 0.030 0.000 1.051 726 V CA 2.147 64.488 62.300 0.069 0.000 1.018 726 V CB -1.331 30.539 31.823 0.079 0.000 0.641 726 V HN 0.629 nan 8.190 nan 0.000 0.445 727 A N -0.289 122.546 122.820 0.024 0.000 1.883 727 A HA -0.258 4.077 4.320 0.025 0.000 0.217 727 A C 2.268 179.856 177.584 0.007 0.000 1.186 727 A CA 2.090 54.132 52.037 0.009 0.000 0.624 727 A CB -0.501 18.505 19.000 0.010 0.000 0.822 727 A HN 0.569 nan 8.150 nan 0.000 0.444 728 K N -0.646 119.761 120.400 0.012 0.000 2.113 728 K HA -0.152 4.183 4.320 0.025 0.000 0.208 728 K C 2.080 178.679 176.600 -0.002 0.000 1.047 728 K CA 1.896 58.186 56.287 0.004 0.000 0.928 728 K CB -0.440 32.064 32.500 0.007 0.000 0.716 728 K HN 0.757 nan 8.250 nan 0.000 0.446 729 T N -2.020 112.536 114.554 0.004 0.000 3.067 729 T HA 0.180 4.545 4.350 0.025 0.000 0.257 729 T C 1.886 176.581 174.700 -0.007 0.000 1.105 729 T CA 0.498 62.596 62.100 -0.002 0.000 1.104 729 T CB 0.220 69.092 68.868 0.006 0.000 0.925 729 T HN 0.124 nan 8.240 nan 0.000 0.498 730 A N 1.004 123.821 122.820 -0.006 0.000 2.206 730 A HA 0.421 4.756 4.320 0.025 0.000 0.211 730 A C 1.475 179.047 177.584 -0.019 0.000 1.158 730 A CA -0.102 51.928 52.037 -0.013 0.000 0.761 730 A CB -0.283 18.709 19.000 -0.013 0.000 0.801 730 A HN 0.449 nan 8.150 nan 0.000 0.473 731 S N -0.759 114.929 115.700 -0.019 0.000 2.646 731 S HA 0.354 4.839 4.470 0.025 0.000 0.276 731 S C 0.598 175.179 174.600 -0.033 0.000 1.222 731 S CA -0.352 57.833 58.200 -0.025 0.000 1.014 731 S CB 1.263 64.449 63.200 -0.023 0.000 0.991 731 S HN 0.443 nan 8.310 nan 0.000 0.533 732 E N 0.717 120.895 120.200 -0.038 0.000 2.415 732 E HA 0.240 4.604 4.350 0.025 0.000 0.197 732 E C 0.217 176.789 176.600 -0.047 0.000 1.007 732 E CA 0.263 56.636 56.400 -0.045 0.000 0.890 732 E CB 0.392 30.064 29.700 -0.046 0.000 0.891 732 E HN 0.509 nan 8.360 nan 0.000 0.496 733 M N 0.264 119.837 119.600 -0.045 0.000 2.484 733 M HA 0.464 4.959 4.480 0.025 0.000 0.289 733 M C -1.825 174.450 176.300 -0.042 0.000 1.206 733 M CA -0.876 54.396 55.300 -0.046 0.000 0.892 733 M CB 2.006 34.573 32.600 -0.054 0.000 1.712 733 M HN -0.272 nan 8.290 nan 0.000 0.462 734 V N 4.834 124.726 119.914 -0.036 0.000 2.588 734 V HA 0.414 4.549 4.120 0.025 0.000 0.304 734 V C -0.532 175.546 176.094 -0.027 0.000 1.042 734 V CA -0.674 61.609 62.300 -0.027 0.000 0.877 734 V CB 1.969 33.782 31.823 -0.017 0.000 0.996 734 V HN 0.819 nan 8.190 nan 0.000 0.425 735 L N 4.471 125.679 121.223 -0.025 0.000 2.358 735 L HA 0.368 4.723 4.340 0.025 0.000 0.274 735 L C 1.715 178.584 176.870 -0.002 0.000 1.136 735 L CA -0.196 54.632 54.840 -0.020 0.000 0.970 735 L CB 0.376 42.418 42.059 -0.028 0.000 1.314 735 L HN 0.843 nan 8.230 nan 0.000 0.427 736 A N 2.619 125.437 122.820 -0.004 0.000 1.915 736 A HA -0.265 4.070 4.320 0.025 0.000 0.220 736 A C 1.744 179.333 177.584 0.008 0.000 1.198 736 A CA 2.348 54.386 52.037 0.002 0.000 0.647 736 A CB -0.363 18.637 19.000 0.001 0.000 0.825 736 A HN 0.851 nan 8.150 nan 0.000 0.456 737 D N -2.266 118.140 120.400 0.010 0.000 2.328 737 D HA 0.146 4.801 4.640 0.025 0.000 0.221 737 D C -0.335 175.980 176.300 0.026 0.000 1.072 737 D CA 0.552 54.562 54.000 0.016 0.000 0.850 737 D CB -0.280 40.530 40.800 0.016 0.000 0.922 737 D HN 0.348 nan 8.370 nan 0.000 0.516 738 D N -0.468 119.950 120.400 0.029 0.000 3.012 738 D HA -0.221 4.434 4.640 0.025 0.000 0.222 738 D C -0.575 175.770 176.300 0.075 0.000 1.167 738 D CA 0.698 54.729 54.000 0.052 0.000 0.854 738 D CB -2.043 38.786 40.800 0.048 0.000 1.107 738 D HN 0.484 nan 8.370 nan 0.000 0.421 739 N N -0.028 118.705 118.700 0.056 0.000 2.420 739 N HA 0.209 4.964 4.740 0.025 0.000 0.249 739 N C 0.386 175.947 175.510 0.086 0.000 1.033 739 N CA -0.310 52.785 53.050 0.074 0.000 0.944 739 N CB 0.144 38.657 38.487 0.044 0.000 1.113 739 N HN -0.029 nan 8.380 nan 0.000 0.502 740 F N 2.659 122.601 119.950 -0.013 0.000 2.325 740 F HA -0.010 4.532 4.527 0.025 0.000 0.299 740 F C 2.170 177.962 175.800 -0.015 0.000 1.090 740 F CA 0.772 58.763 58.000 -0.015 0.000 1.392 740 F CB 0.053 39.042 39.000 -0.019 0.000 1.053 740 F HN 0.512 nan 8.300 nan 0.000 0.521 741 S N -0.517 115.269 115.700 0.145 0.000 2.413 741 S HA -0.256 4.228 4.470 0.025 0.000 0.237 741 S C 1.945 176.536 174.600 -0.015 0.000 1.044 741 S CA 1.911 60.145 58.200 0.056 0.000 1.024 741 S CB -0.622 62.606 63.200 0.046 0.000 0.829 741 S HN 0.458 nan 8.310 nan 0.000 0.475 742 T N 1.930 116.459 114.554 -0.042 0.000 2.881 742 T HA 0.042 4.407 4.350 0.025 0.000 0.270 742 T C 1.617 176.251 174.700 -0.110 0.000 1.068 742 T CA 0.768 62.829 62.100 -0.065 0.000 1.131 742 T CB -0.321 68.512 68.868 -0.058 0.000 0.871 742 T HN 0.362 nan 8.240 nan 0.000 0.479 743 I N 0.665 121.114 120.570 -0.203 0.000 2.208 743 I HA -0.182 4.002 4.170 0.025 0.000 0.245 743 I C 2.396 178.434 176.117 -0.133 0.000 1.097 743 I CA 1.071 62.224 61.300 -0.245 0.000 1.363 743 I CB -0.306 37.415 38.000 -0.465 0.000 1.051 743 I HN 0.109 nan 8.210 nan 0.000 0.413 744 V N 0.590 120.452 119.914 -0.086 0.000 2.379 744 V HA -0.230 3.905 4.120 0.025 0.000 0.245 744 V C 2.605 178.676 176.094 -0.039 0.000 1.044 744 V CA 1.838 64.112 62.300 -0.044 0.000 1.036 744 V CB -0.852 30.963 31.823 -0.014 0.000 0.664 744 V HN 0.489 nan 8.190 nan 0.000 0.453 745 A N -0.056 122.742 122.820 -0.038 0.000 1.972 745 A HA -0.079 4.256 4.320 0.025 0.000 0.219 745 A C 2.397 179.961 177.584 -0.034 0.000 1.169 745 A CA 1.922 53.942 52.037 -0.029 0.000 0.635 745 A CB -0.637 18.349 19.000 -0.023 0.000 0.810 745 A HN 0.550 nan 8.150 nan 0.000 0.446 746 A N -0.292 122.497 122.820 -0.051 0.000 1.877 746 A HA 0.001 4.336 4.320 0.025 0.000 0.216 746 A C 2.202 179.760 177.584 -0.043 0.000 1.186 746 A CA 1.748 53.755 52.037 -0.050 0.000 0.620 746 A CB -1.082 17.875 19.000 -0.072 0.000 0.822 746 A HN 0.428 nan 8.150 nan 0.000 0.443 747 V N 0.192 120.077 119.914 -0.050 0.000 2.231 747 V HA -0.387 3.747 4.120 0.025 0.000 0.250 747 V C 2.547 178.625 176.094 -0.027 0.000 1.058 747 V CA 2.719 64.995 62.300 -0.040 0.000 1.022 747 V CB -1.020 30.779 31.823 -0.040 0.000 0.640 747 V HN 0.804 nan 8.190 nan 0.000 0.445 748 E N 0.129 120.316 120.200 -0.022 0.000 2.070 748 E HA -0.326 4.039 4.350 0.025 0.000 0.197 748 E C 2.148 178.744 176.600 -0.007 0.000 1.004 748 E CA 1.927 58.319 56.400 -0.013 0.000 0.805 748 E CB -0.237 29.456 29.700 -0.011 0.000 0.744 748 E HN 0.647 nan 8.360 nan 0.000 0.451 749 E N -0.267 119.928 120.200 -0.009 0.000 2.058 749 E HA -0.141 4.224 4.350 0.025 0.000 0.194 749 E C 1.946 178.549 176.600 0.005 0.000 0.997 749 E CA 1.789 58.188 56.400 -0.001 0.000 0.801 749 E CB -0.895 28.803 29.700 -0.004 0.000 0.746 749 E HN 0.367 nan 8.360 nan 0.000 0.450 750 G N 0.310 109.109 108.800 -0.002 0.000 2.476 750 G HA2 -0.335 3.640 3.960 0.025 0.000 0.218 750 G HA3 -0.335 3.640 3.960 0.025 0.000 0.218 750 G C 1.684 176.600 174.900 0.027 0.000 1.164 750 G CA 1.031 46.134 45.100 0.005 0.000 0.768 750 G HN 0.251 nan 8.290 nan 0.000 0.560 751 R N 0.346 120.854 120.500 0.014 0.000 2.148 751 R HA 0.135 4.490 4.340 0.025 0.000 0.227 751 R C 2.907 179.243 176.300 0.059 0.000 1.103 751 R CA 0.922 57.041 56.100 0.033 0.000 0.983 751 R CB -0.201 30.101 30.300 0.004 0.000 0.874 751 R HN 0.373 nan 8.270 nan 0.000 0.451 752 A N 1.000 123.839 122.820 0.032 0.000 1.970 752 A HA -0.042 4.293 4.320 0.025 0.000 0.216 752 A C 1.999 179.593 177.584 0.018 0.000 1.170 752 A CA 0.742 52.791 52.037 0.020 0.000 0.645 752 A CB -0.143 18.862 19.000 0.009 0.000 0.816 752 A HN 0.058 nan 8.150 nan 0.000 0.447 753 I N -1.612 118.977 120.570 0.031 0.000 2.163 753 I HA -0.229 3.956 4.170 0.025 0.000 0.240 753 I C 2.388 178.505 176.117 -0.000 0.000 1.081 753 I CA 1.597 62.910 61.300 0.022 0.000 1.353 753 I CB -1.447 36.576 38.000 0.039 0.000 1.054 753 I HN 0.514 nan 8.210 nan 0.000 0.407 754 Y N 2.429 122.684 120.300 -0.075 0.000 2.069 754 Y HA -0.360 4.204 4.550 0.025 0.000 0.278 754 Y C 2.468 178.286 175.900 -0.137 0.000 1.175 754 Y CA 2.514 60.553 58.100 -0.102 0.000 1.134 754 Y CB -0.471 37.945 38.460 -0.073 0.000 0.965 754 Y HN 0.296 nan 8.280 nan 0.000 0.498 755 N N -0.299 118.400 118.700 -0.002 0.000 2.069 755 N HA -0.229 4.526 4.740 0.025 0.000 0.191 755 N C 1.359 176.736 175.510 -0.222 0.000 1.031 755 N CA 1.226 54.213 53.050 -0.105 0.000 0.852 755 N CB -0.362 38.116 38.487 -0.014 0.000 1.018 755 N HN 0.396 nan 8.380 nan 0.000 0.423 756 N N 0.998 119.587 118.700 -0.184 0.000 2.037 756 N HA -0.149 4.605 4.740 0.025 0.000 0.196 756 N C 1.748 176.869 175.510 -0.648 0.000 1.034 756 N CA 1.419 54.335 53.050 -0.224 0.000 0.861 756 N CB -0.129 38.324 38.487 -0.057 0.000 1.039 756 N HN 0.232 nan 8.380 nan 0.000 0.427 757 M N 0.261 119.369 119.600 -0.821 0.000 2.108 757 M HA -0.184 4.311 4.480 0.025 0.000 0.261 757 M C 1.982 177.589 176.300 -1.155 0.000 1.066 757 M CA 1.457 55.921 55.300 -1.394 0.000 1.107 757 M CB -0.336 31.846 32.600 -0.696 0.000 1.356 757 M HN 0.090 nan 8.290 nan 0.000 0.406 758 K N 0.515 120.443 120.400 -0.788 0.000 2.063 758 K HA -0.244 4.091 4.320 0.025 0.000 0.208 758 K C 2.089 178.453 176.600 -0.394 0.000 1.048 758 K CA 1.965 57.922 56.287 -0.551 0.000 0.928 758 K CB -0.232 32.011 32.500 -0.427 0.000 0.713 758 K HN 0.475 nan 8.250 nan 0.000 0.442 759 Q N 0.079 119.661 119.800 -0.363 0.000 2.230 759 Q HA -0.142 4.213 4.340 0.025 0.000 0.202 759 Q C 1.590 177.553 176.000 -0.061 0.000 0.963 759 Q CA 1.312 57.010 55.803 -0.175 0.000 0.866 759 Q CB -0.033 28.630 28.738 -0.125 0.000 0.931 759 Q HN 0.440 nan 8.270 nan 0.000 0.452 760 F N -1.607 118.306 119.950 -0.061 0.000 2.731 760 F HA 0.395 4.936 4.527 0.025 0.000 0.298 760 F C 1.320 177.109 175.800 -0.019 0.000 1.106 760 F CA -0.743 57.265 58.000 0.014 0.000 1.329 760 F CB -0.326 38.660 39.000 -0.025 0.000 1.100 760 F HN -0.070 nan 8.300 nan 0.000 0.592 761 I N 0.765 121.279 120.570 -0.093 0.000 2.162 761 I HA -0.148 4.037 4.170 0.025 0.000 0.238 761 I C 2.876 178.900 176.117 -0.155 0.000 1.076 761 I CA 1.140 62.365 61.300 -0.126 0.000 1.353 761 I CB -0.528 37.251 38.000 -0.369 0.000 1.063 761 I HN 0.068 nan 8.210 nan 0.000 0.408 762 R N 0.220 120.628 120.500 -0.153 0.000 2.113 762 R HA -0.297 4.058 4.340 0.025 0.000 0.244 762 R C 2.563 178.829 176.300 -0.058 0.000 1.142 762 R CA 2.462 58.498 56.100 -0.105 0.000 0.953 762 R CB -0.626 29.677 30.300 0.006 0.000 0.860 762 R HN 0.387 nan 8.270 nan 0.000 0.438 763 Y N 0.915 121.174 120.300 -0.070 0.000 2.200 763 Y HA -0.157 4.409 4.550 0.026 0.000 0.290 763 Y C 1.915 177.789 175.900 -0.045 0.000 1.137 763 Y CA 1.631 59.710 58.100 -0.035 0.000 1.163 763 Y CB -0.313 38.150 38.460 0.006 0.000 0.988 763 Y HN 0.037 nan 8.280 nan 0.000 0.518 764 L N -0.955 120.136 121.223 -0.220 0.000 2.044 764 L HA -0.120 4.235 4.340 0.025 0.000 0.205 764 L C 2.373 179.090 176.870 -0.256 0.000 1.075 764 L CA 0.998 55.656 54.840 -0.303 0.000 0.747 764 L CB -0.582 41.420 42.059 -0.096 0.000 0.903 764 L HN 0.216 nan 8.230 nan 0.000 0.435 765 I N -0.256 120.170 120.570 -0.240 0.000 2.286 765 I HA -0.304 3.881 4.170 0.025 0.000 0.248 765 I C 2.769 178.721 176.117 -0.275 0.000 1.115 765 I CA 1.405 62.542 61.300 -0.272 0.000 1.392 765 I CB -0.285 37.460 38.000 -0.424 0.000 1.065 765 I HN 0.341 nan 8.210 nan 0.000 0.418 766 S N -0.667 114.863 115.700 -0.284 0.000 2.404 766 S HA -0.366 4.119 4.470 0.025 0.000 0.230 766 S C 2.356 176.878 174.600 -0.131 0.000 1.046 766 S CA 2.765 60.885 58.200 -0.133 0.000 1.135 766 S CB -1.331 61.794 63.200 -0.125 0.000 1.056 766 S HN 0.627 nan 8.310 nan 0.000 0.426 767 S N 1.580 117.155 115.700 -0.209 0.000 2.377 767 S HA -0.280 4.205 4.470 0.025 0.000 0.224 767 S C 1.797 176.335 174.600 -0.102 0.000 1.042 767 S CA 2.342 60.440 58.200 -0.170 0.000 1.086 767 S CB -1.500 61.554 63.200 -0.243 0.000 0.995 767 S HN 0.767 nan 8.310 nan 0.000 0.428 768 N N 0.118 118.756 118.700 -0.104 0.000 2.111 768 N HA -0.143 4.612 4.740 0.025 0.000 0.197 768 N C 1.593 177.085 175.510 -0.030 0.000 1.011 768 N CA 1.823 54.839 53.050 -0.057 0.000 0.880 768 N CB -0.475 37.981 38.487 -0.051 0.000 1.031 768 N HN 0.296 nan 8.380 nan 0.000 0.444 769 V N -0.317 119.582 119.914 -0.025 0.000 2.667 769 V HA -0.076 4.059 4.120 0.025 0.000 0.252 769 V C 2.209 178.297 176.094 -0.010 0.000 1.065 769 V CA 1.864 64.165 62.300 0.001 0.000 1.083 769 V CB -0.893 30.953 31.823 0.040 0.000 0.692 769 V HN 0.478 nan 8.190 nan 0.000 0.468 770 G N -0.117 108.673 108.800 -0.017 0.000 2.403 770 G HA2 -0.178 3.797 3.960 0.025 0.000 0.216 770 G HA3 -0.178 3.797 3.960 0.025 0.000 0.216 770 G C 1.413 176.310 174.900 -0.004 0.000 1.154 770 G CA 0.697 45.790 45.100 -0.011 0.000 0.784 770 G HN 0.598 nan 8.290 nan 0.000 0.538 771 E N 0.209 120.405 120.200 -0.007 0.000 2.112 771 E HA -0.020 4.345 4.350 0.025 0.000 0.190 771 E C 2.602 179.216 176.600 0.022 0.000 0.979 771 E CA 0.626 57.030 56.400 0.006 0.000 0.814 771 E CB -0.079 29.622 29.700 0.002 0.000 0.762 771 E HN 0.279 nan 8.360 nan 0.000 0.460 772 V N 1.242 121.167 119.914 0.018 0.000 2.490 772 V HA -0.208 3.927 4.120 0.025 0.000 0.250 772 V C 2.217 178.351 176.094 0.067 0.000 1.061 772 V CA 1.238 63.559 62.300 0.036 0.000 1.064 772 V CB -0.344 31.488 31.823 0.015 0.000 0.670 772 V HN 0.139 nan 8.190 nan 0.000 0.461 773 V N -0.726 119.215 119.914 0.044 0.000 2.591 773 V HA -0.202 3.933 4.120 0.025 0.000 0.249 773 V C 2.519 178.670 176.094 0.095 0.000 1.053 773 V CA 1.619 63.958 62.300 0.064 0.000 1.068 773 V CB -0.255 31.578 31.823 0.017 0.000 0.689 773 V HN 0.806 nan 8.190 nan 0.000 0.462 774 C N 0.772 120.107 119.300 0.057 0.000 2.442 774 C HA -0.157 4.318 4.460 0.025 0.000 0.279 774 C C 2.550 177.582 174.990 0.071 0.000 1.237 774 C CA 0.916 59.963 59.018 0.049 0.000 1.722 774 C CB -0.957 26.795 27.740 0.021 0.000 2.056 774 C HN 0.482 nan 8.230 nan 0.000 0.469 775 I N 0.687 121.299 120.570 0.071 0.000 2.423 775 I HA -0.086 4.099 4.170 0.025 0.000 0.254 775 I C 2.140 178.314 176.117 0.096 0.000 1.151 775 I CA 1.393 62.730 61.300 0.062 0.000 1.421 775 I CB -1.786 36.244 38.000 0.050 0.000 1.079 775 I HN 0.495 nan 8.210 nan 0.000 0.431 776 F N 0.069 120.021 119.950 0.002 0.000 2.797 776 F HA 0.069 4.607 4.527 0.019 0.000 0.302 776 F C 1.817 177.635 175.800 0.030 0.000 1.130 776 F CA 0.547 58.555 58.000 0.013 0.000 1.387 776 F CB 0.180 39.187 39.000 0.012 0.000 1.107 776 F HN -0.100 nan 8.300 nan 0.000 0.577 777 L N -1.687 119.593 121.223 0.097 0.000 2.445 777 L HA 0.074 4.429 4.340 0.025 0.000 0.207 777 L C 1.727 178.601 176.870 0.006 0.000 1.053 777 L CA 0.570 55.438 54.840 0.046 0.000 0.841 777 L CB -0.796 41.324 42.059 0.102 0.000 1.074 777 L HN -0.150 nan 8.230 nan 0.000 0.479 778 T N 0.379 114.942 114.554 0.014 0.000 4.096 778 T HA 0.310 4.675 4.350 0.025 0.000 0.241 778 T C 0.477 175.182 174.700 0.008 0.000 0.869 778 T CA 0.806 62.906 62.100 0.000 0.000 0.909 778 T CB -0.388 68.474 68.868 -0.011 0.000 1.260 778 T HN 0.468 nan 8.240 nan 0.000 0.692 779 A N 0.622 123.438 122.820 -0.006 0.000 1.868 779 A HA 0.668 5.003 4.320 0.025 0.000 0.132 779 A C 1.882 179.437 177.584 -0.048 0.000 1.440 779 A CA 0.458 52.501 52.037 0.010 0.000 2.235 779 A CB -1.018 17.904 19.000 -0.129 0.000 2.253 779 A HN 0.525 nan 8.150 nan 0.000 1.206 780 A N -0.764 121.882 122.820 -0.291 0.000 2.234 780 A HA 0.201 4.536 4.320 0.025 0.000 0.216 780 A C 0.858 178.428 177.584 -0.023 0.000 1.167 780 A CA 1.574 53.473 52.037 -0.230 0.000 0.698 780 A CB -0.418 18.288 19.000 -0.490 0.000 0.779 780 A HN 0.555 nan 8.150 nan 0.000 0.475 781 L N -0.282 120.940 121.223 -0.003 0.000 3.168 781 L HA 0.331 4.686 4.340 0.025 0.000 0.277 781 L C 1.164 178.069 176.870 0.057 0.000 1.308 781 L CA -0.040 54.826 54.840 0.043 0.000 0.976 781 L CB -0.083 42.029 42.059 0.089 0.000 1.383 781 L HN 0.297 nan 8.230 nan 0.000 0.572 782 G N 1.215 110.062 108.800 0.078 0.000 2.148 782 G HA2 -0.233 3.742 3.960 0.025 0.000 0.242 782 G HA3 -0.233 3.742 3.960 0.025 0.000 0.242 782 G C 0.050 175.185 174.900 0.392 0.000 0.515 782 G CA 0.596 45.848 45.100 0.253 0.000 1.030 782 G HN 0.333 nan 8.290 nan 0.000 0.423 783 L N 2.908 124.217 121.223 0.143 0.000 2.330 783 L HA 0.485 4.840 4.340 0.025 0.000 0.271 783 L C -1.890 174.658 176.870 -0.536 0.000 1.013 783 L CA -2.606 52.170 54.840 -0.106 0.000 0.816 783 L CB 2.449 44.498 42.059 -0.018 0.000 1.287 783 L HN 0.083 nan 8.230 nan 0.000 0.435 784 P HA -0.023 nan 4.420 nan 0.000 0.269 784 P C -1.220 175.963 177.300 -0.195 0.000 1.217 784 P CA -0.284 62.504 63.100 -0.521 0.000 0.783 784 P CB 0.315 32.014 31.700 -0.000 0.000 0.898 785 E N 0.850 120.980 120.200 -0.117 0.000 2.328 785 E HA 0.116 4.481 4.350 0.025 0.000 0.265 785 E C 0.969 177.579 176.600 0.018 0.000 1.057 785 E CA 0.089 56.465 56.400 -0.040 0.000 0.916 785 E CB 0.156 29.846 29.700 -0.017 0.000 0.993 785 E HN 0.384 nan 8.360 nan 0.000 0.446 786 A N 4.243 127.069 122.820 0.010 0.000 1.935 786 A HA 0.129 4.464 4.320 0.025 0.000 0.214 786 A C 0.658 178.241 177.584 -0.000 0.000 1.178 786 A CA 0.690 52.736 52.037 0.015 0.000 0.640 786 A CB 0.314 19.324 19.000 0.017 0.000 0.825 786 A HN 0.508 nan 8.150 nan 0.000 0.447 787 L N 0.026 121.252 121.223 0.005 0.000 2.482 787 L HA 0.496 4.851 4.340 0.025 0.000 0.263 787 L C -0.709 176.176 176.870 0.025 0.000 0.957 787 L CA -0.600 54.248 54.840 0.013 0.000 0.836 787 L CB 2.263 44.330 42.059 0.014 0.000 1.324 787 L HN 0.438 nan 8.230 nan 0.000 0.406 788 I N -0.339 120.257 120.570 0.043 0.000 2.707 788 I HA 0.540 4.725 4.170 0.025 0.000 0.309 788 I C -2.109 174.056 176.117 0.080 0.000 1.001 788 I CA -2.218 59.114 61.300 0.053 0.000 1.129 788 I CB 2.517 40.552 38.000 0.057 0.000 1.308 788 I HN 0.324 nan 8.210 nan 0.000 0.466 789 P HA -0.158 nan 4.420 nan 0.000 0.214 789 P C 1.822 179.207 177.300 0.142 0.000 1.163 789 P CA 1.508 64.663 63.100 0.092 0.000 0.889 789 P CB -0.103 31.642 31.700 0.076 0.000 0.790 790 V N -0.638 119.371 119.914 0.158 0.000 2.527 790 V HA -0.312 3.823 4.120 0.025 0.000 0.255 790 V C 2.265 178.612 176.094 0.422 0.000 1.081 790 V CA 1.960 64.414 62.300 0.255 0.000 1.092 790 V CB -1.748 30.171 31.823 0.160 0.000 0.673 790 V HN 0.231 nan 8.190 nan 0.000 0.470 791 Q N -0.332 119.649 119.800 0.302 0.000 2.165 791 Q HA 0.134 4.489 4.340 0.025 0.000 0.197 791 Q C 2.292 178.401 176.000 0.181 0.000 0.952 791 Q CA 0.912 56.851 55.803 0.226 0.000 0.848 791 Q CB -0.130 28.691 28.738 0.138 0.000 0.931 791 Q HN 0.537 nan 8.270 nan 0.000 0.470 792 L N 0.622 121.929 121.223 0.140 0.000 2.201 792 L HA -0.132 4.223 4.340 0.025 0.000 0.212 792 L C 2.100 179.033 176.870 0.106 0.000 1.105 792 L CA 0.751 55.649 54.840 0.096 0.000 0.775 792 L CB -0.338 41.760 42.059 0.066 0.000 0.913 792 L HN 0.263 nan 8.230 nan 0.000 0.440 793 L N -2.036 119.281 121.223 0.156 0.000 2.275 793 L HA -0.194 4.161 4.340 0.025 0.000 0.215 793 L C 2.241 179.215 176.870 0.172 0.000 1.119 793 L CA 1.104 56.038 54.840 0.156 0.000 0.790 793 L CB -0.365 41.813 42.059 0.200 0.000 0.919 793 L HN 0.405 nan 8.230 nan 0.000 0.443 794 W N -0.232 121.072 121.300 0.007 0.000 2.539 794 W HA -0.037 4.637 4.660 0.024 0.000 0.299 794 W C 2.309 178.791 176.519 -0.061 0.000 1.165 794 W CA 0.780 58.088 57.345 -0.063 0.000 1.400 794 W CB -0.245 29.062 29.460 -0.256 0.000 1.123 794 W HN -0.286 nan 8.180 nan 0.000 0.533 795 V N 1.779 121.754 119.914 0.101 0.000 2.324 795 V HA -0.394 3.741 4.120 0.025 0.000 0.250 795 V C 1.997 178.023 176.094 -0.112 0.000 1.060 795 V CA 2.333 64.618 62.300 -0.024 0.000 1.042 795 V CB -1.010 30.831 31.823 0.030 0.000 0.650 795 V HN 0.237 nan 8.190 nan 0.000 0.450 796 N N -0.712 117.948 118.700 -0.068 0.000 2.354 796 N HA -0.032 4.723 4.740 0.025 0.000 0.179 796 N C 1.487 176.935 175.510 -0.103 0.000 1.021 796 N CA 0.871 53.876 53.050 -0.075 0.000 0.887 796 N CB -0.058 38.413 38.487 -0.027 0.000 0.974 796 N HN 0.415 nan 8.380 nan 0.000 0.437 797 L N -0.277 120.864 121.223 -0.136 0.000 2.189 797 L HA 0.131 4.486 4.340 0.025 0.000 0.199 797 L C 1.702 178.416 176.870 -0.259 0.000 1.074 797 L CA 1.056 55.800 54.840 -0.159 0.000 0.783 797 L CB -0.317 41.675 42.059 -0.112 0.000 0.955 797 L HN -0.165 nan 8.230 nan 0.000 0.460 798 V N -1.230 118.407 119.914 -0.462 0.000 2.543 798 V HA -0.078 4.057 4.120 0.025 0.000 0.232 798 V C 2.402 178.205 176.094 -0.485 0.000 1.087 798 V CA 1.491 63.439 62.300 -0.587 0.000 1.113 798 V CB -0.980 30.175 31.823 -1.114 0.000 0.779 798 V HN 0.498 nan 8.190 nan 0.000 0.495 799 T N -0.882 113.320 114.554 -0.588 0.000 2.778 799 T HA -0.228 4.137 4.350 0.025 0.000 0.269 799 T C 1.377 176.000 174.700 -0.127 0.000 1.050 799 T CA 1.860 63.785 62.100 -0.292 0.000 1.137 799 T CB -0.357 68.425 68.868 -0.143 0.000 0.860 799 T HN 0.370 nan 8.240 nan 0.000 0.468 800 D N 0.983 121.308 120.400 -0.124 0.000 2.271 800 D HA 0.155 4.810 4.640 0.025 0.000 0.206 800 D C 2.387 178.684 176.300 -0.006 0.000 0.967 800 D CA 0.828 54.811 54.000 -0.028 0.000 0.867 800 D CB -0.626 40.113 40.800 -0.102 0.000 0.960 800 D HN 0.525 nan 8.370 nan 0.000 0.509 801 G N 1.035 109.770 108.800 -0.108 0.000 2.394 801 G HA2 -0.141 3.834 3.960 0.025 0.000 0.215 801 G HA3 -0.141 3.834 3.960 0.025 0.000 0.215 801 G C 1.601 176.439 174.900 -0.103 0.000 1.165 801 G CA 0.132 45.157 45.100 -0.124 0.000 0.784 801 G HN 0.165 nan 8.290 nan 0.000 0.535 802 L N 1.079 122.244 121.223 -0.096 0.000 2.017 802 L HA -0.037 4.318 4.340 0.025 0.000 0.208 802 L C 0.106 176.966 176.870 -0.016 0.000 1.073 802 L CA 1.796 56.603 54.840 -0.055 0.000 0.745 802 L CB -1.933 40.090 42.059 -0.061 0.000 0.894 802 L HN 0.181 nan 8.230 nan 0.000 0.432 803 P HA -0.058 nan 4.420 nan 0.000 0.219 803 P C 1.543 178.795 177.300 -0.080 0.000 1.150 803 P CA 1.437 64.525 63.100 -0.020 0.000 0.814 803 P CB 0.083 31.778 31.700 -0.008 0.000 0.787 804 A N -0.816 121.986 122.820 -0.030 0.000 1.897 804 A HA -0.110 4.225 4.320 0.025 0.000 0.215 804 A C 2.156 179.609 177.584 -0.218 0.000 1.181 804 A CA 1.987 53.994 52.037 -0.051 0.000 0.620 804 A CB -1.827 17.181 19.000 0.013 0.000 0.821 804 A HN 0.125 nan 8.150 nan 0.000 0.443 805 T N 0.357 114.769 114.554 -0.237 0.000 2.881 805 T HA 0.007 4.372 4.350 0.025 0.000 0.270 805 T C 2.036 176.580 174.700 -0.259 0.000 1.068 805 T CA 1.390 63.328 62.100 -0.269 0.000 1.131 805 T CB -0.264 68.508 68.868 -0.160 0.000 0.871 805 T HN 0.560 nan 8.240 nan 0.000 0.479 806 A N 1.029 123.816 122.820 -0.054 0.000 1.975 806 A HA 0.210 4.545 4.320 0.025 0.000 0.215 806 A C 2.160 179.782 177.584 0.064 0.000 1.170 806 A CA 0.570 52.709 52.037 0.169 0.000 0.656 806 A CB -0.626 18.531 19.000 0.261 0.000 0.821 806 A HN 0.458 nan 8.150 nan 0.000 0.449 807 L N -0.098 121.094 121.223 -0.052 0.000 2.261 807 L HA -0.165 4.190 4.340 0.025 0.000 0.216 807 L C 2.688 179.512 176.870 -0.076 0.000 1.114 807 L CA 0.835 55.644 54.840 -0.053 0.000 0.777 807 L CB -0.756 41.256 42.059 -0.078 0.000 0.910 807 L HN 0.473 nan 8.230 nan 0.000 0.440 808 G N 0.334 109.001 108.800 -0.221 0.000 2.505 808 G HA2 -0.305 3.670 3.960 0.025 0.000 0.220 808 G HA3 -0.305 3.670 3.960 0.025 0.000 0.220 808 G C 1.227 175.934 174.900 -0.320 0.000 1.145 808 G CA 0.847 45.734 45.100 -0.355 0.000 0.761 808 G HN 0.422 nan 8.290 nan 0.000 0.571 809 F N 0.735 120.705 119.950 0.033 0.000 2.816 809 F HA 0.201 4.743 4.527 0.025 0.000 0.302 809 F C 1.162 176.928 175.800 -0.057 0.000 1.178 809 F CA -0.689 57.299 58.000 -0.019 0.000 1.421 809 F CB -0.440 38.538 39.000 -0.037 0.000 1.114 809 F HN -0.063 nan 8.300 nan 0.000 0.573 810 N N 2.336 121.081 118.700 0.075 0.000 2.294 810 N HA -0.026 4.728 4.740 0.025 0.000 0.263 810 N C -2.551 172.968 175.510 0.015 0.000 1.281 810 N CA -0.818 52.248 53.050 0.026 0.000 0.846 810 N CB 0.291 38.778 38.487 -0.001 0.000 1.061 810 N HN -0.132 nan 8.380 nan 0.000 0.478 811 P HA 0.219 nan 4.420 nan 0.000 0.276 811 P C -2.284 175.013 177.300 -0.006 0.000 1.243 811 P CA -0.823 62.274 63.100 -0.006 0.000 0.768 811 P CB 0.247 31.937 31.700 -0.016 0.000 0.856 812 P HA -0.027 nan 4.420 nan 0.000 0.270 812 P C -0.209 177.087 177.300 -0.006 0.000 1.216 812 P CA 0.290 63.387 63.100 -0.004 0.000 0.788 812 P CB 0.350 32.049 31.700 -0.001 0.000 0.883 813 D N 0.089 120.486 120.400 -0.005 0.000 2.400 813 D HA -0.009 4.646 4.640 0.025 0.000 0.238 813 D C 1.232 177.529 176.300 -0.006 0.000 1.157 813 D CA -0.106 53.890 54.000 -0.006 0.000 0.889 813 D CB 0.309 41.107 40.800 -0.003 0.000 1.199 813 D HN 0.085 nan 8.370 nan 0.000 0.436 814 L N 1.257 122.476 121.223 -0.007 0.000 2.291 814 L HA -0.034 4.321 4.340 0.025 0.000 0.214 814 L C 1.461 178.326 176.870 -0.007 0.000 1.120 814 L CA 1.311 56.147 54.840 -0.007 0.000 0.799 814 L CB -0.811 41.243 42.059 -0.008 0.000 0.925 814 L HN 0.491 nan 8.230 nan 0.000 0.446 815 D N -2.057 118.339 120.400 -0.007 0.000 2.513 815 D HA 0.011 4.666 4.640 0.025 0.000 0.222 815 D C 1.817 178.113 176.300 -0.007 0.000 1.210 815 D CA -0.123 53.872 54.000 -0.007 0.000 0.825 815 D CB -0.017 40.778 40.800 -0.008 0.000 1.037 815 D HN 0.207 nan 8.370 nan 0.000 0.506 816 I N 0.383 120.949 120.570 -0.005 0.000 2.614 816 I HA -0.091 4.094 4.170 0.025 0.000 0.258 816 I C 1.525 177.636 176.117 -0.009 0.000 1.189 816 I CA 1.017 62.315 61.300 -0.004 0.000 1.462 816 I CB 0.049 38.050 38.000 0.001 0.000 1.092 816 I HN -0.082 nan 8.210 nan 0.000 0.442 817 M N -0.455 119.140 119.600 -0.010 0.000 2.453 817 M HA 0.204 4.699 4.480 0.025 0.000 0.239 817 M C -0.424 175.869 176.300 -0.012 0.000 1.151 817 M CA 0.458 55.751 55.300 -0.012 0.000 0.989 817 M CB -0.469 32.125 32.600 -0.010 0.000 1.548 817 M HN 0.037 nan 8.290 nan 0.000 0.479 818 D N 1.215 121.608 120.400 -0.012 0.000 2.400 818 D HA 0.455 5.110 4.640 0.025 0.000 0.272 818 D C -0.598 175.695 176.300 -0.013 0.000 1.220 818 D CA 0.059 54.052 54.000 -0.011 0.000 0.897 818 D CB 1.109 41.903 40.800 -0.010 0.000 1.134 818 D HN 0.130 nan 8.370 nan 0.000 0.507 819 R N 1.356 121.847 120.500 -0.015 0.000 6.655 819 R HA 0.062 4.417 4.340 0.025 0.000 0.246 819 R C -2.803 173.484 176.300 -0.021 0.000 0.888 819 R CA -0.740 55.349 56.100 -0.017 0.000 1.698 819 R CB 1.374 31.664 30.300 -0.016 0.000 1.162 819 R HN 0.100 nan 8.270 nan 0.000 0.823 820 P HA 0.089 nan 4.420 nan 0.000 0.271 820 P C -2.442 174.835 177.300 -0.037 0.000 1.238 820 P CA -0.761 62.323 63.100 -0.027 0.000 0.794 820 P CB -0.049 31.636 31.700 -0.025 0.000 0.959 821 P HA 0.179 nan 4.420 nan 0.000 0.276 821 P C -0.017 177.237 177.300 -0.077 0.000 1.244 821 P CA -0.403 62.657 63.100 -0.066 0.000 0.801 821 P CB 0.508 32.169 31.700 -0.066 0.000 1.006 822 R N 0.723 121.152 120.500 -0.118 0.000 2.679 822 R HA 0.180 4.535 4.340 0.025 0.000 0.268 822 R C 0.275 176.517 176.300 -0.097 0.000 1.044 822 R CA -0.226 55.800 56.100 -0.125 0.000 1.105 822 R CB -0.016 30.147 30.300 -0.228 0.000 0.989 822 R HN 0.453 nan 8.270 nan 0.000 0.447 823 S N 3.053 118.716 115.700 -0.062 0.000 2.576 823 S HA 0.154 4.639 4.470 0.025 0.000 0.276 823 S C -1.552 173.022 174.600 -0.044 0.000 1.339 823 S CA -1.400 56.776 58.200 -0.040 0.000 1.039 823 S CB 1.009 64.199 63.200 -0.017 0.000 0.902 823 S HN 0.667 nan 8.310 nan 0.000 0.516 824 P HA 0.017 nan 4.420 nan 0.000 0.218 824 P C 0.484 177.783 177.300 -0.001 0.000 1.149 824 P CA 0.966 64.055 63.100 -0.019 0.000 0.817 824 P CB 0.091 31.790 31.700 -0.001 0.000 0.785 825 K N -0.130 120.273 120.400 0.005 0.000 2.504 825 K HA 0.070 4.405 4.320 0.025 0.000 0.199 825 K C 0.396 177.009 176.600 0.022 0.000 1.028 825 K CA -0.015 56.282 56.287 0.017 0.000 1.164 825 K CB -0.743 31.767 32.500 0.018 0.000 0.877 825 K HN 0.312 nan 8.250 nan 0.000 0.508 826 E N 2.538 122.750 120.200 0.019 0.000 2.046 826 E HA 0.125 4.490 4.350 0.025 0.000 0.279 826 E C -2.138 174.505 176.600 0.071 0.000 0.989 826 E CA -2.264 54.158 56.400 0.037 0.000 0.798 826 E CB 0.772 30.483 29.700 0.018 0.000 1.086 826 E HN -0.011 nan 8.360 nan 0.000 0.399 827 P HA -0.086 nan 4.420 nan 0.000 0.270 827 P C 0.612 177.996 177.300 0.140 0.000 1.227 827 P CA -0.156 63.007 63.100 0.106 0.000 0.788 827 P CB 1.333 33.089 31.700 0.094 0.000 0.926 828 L N 1.002 122.305 121.223 0.134 0.000 1.938 828 L HA -0.082 4.273 4.340 0.025 0.000 0.212 828 L C 1.157 178.074 176.870 0.078 0.000 1.085 828 L CA 1.315 56.207 54.840 0.087 0.000 0.760 828 L CB -0.469 41.566 42.059 -0.040 0.000 0.888 828 L HN 0.410 nan 8.230 nan 0.000 0.433 829 I N -2.265 118.373 120.570 0.114 0.000 2.353 829 I HA 0.461 4.646 4.170 0.025 0.000 0.293 829 I C -0.250 176.000 176.117 0.221 0.000 0.992 829 I CA 0.035 61.453 61.300 0.196 0.000 1.268 829 I CB 1.556 39.767 38.000 0.353 0.000 1.387 829 I HN -0.005 nan 8.210 nan 0.000 0.478 830 S N 3.692 119.515 115.700 0.205 0.000 2.584 830 S HA 0.758 5.243 4.470 0.025 0.000 0.280 830 S C -0.205 174.516 174.600 0.202 0.000 1.162 830 S CA 0.255 58.564 58.200 0.182 0.000 0.951 830 S CB 0.703 63.974 63.200 0.118 0.000 1.108 830 S HN 1.989 nan 8.310 nan 0.000 0.464 831 G N 5.870 114.812 108.800 0.236 0.000 2.222 831 G HA2 -0.219 3.756 3.960 0.025 0.000 0.218 831 G HA3 -0.219 3.756 3.960 0.025 0.000 0.218 831 G C 1.044 176.154 174.900 0.349 0.000 1.450 831 G CA 0.161 45.406 45.100 0.241 0.000 1.361 831 G HN 0.885 nan 8.290 nan 0.000 0.474 832 W N 1.523 122.874 121.300 0.085 0.000 2.301 832 W HA -0.192 4.481 4.660 0.023 0.000 0.325 832 W C 2.468 179.081 176.519 0.158 0.000 1.250 832 W CA 2.387 59.774 57.345 0.071 0.000 1.261 832 W CB -0.302 29.178 29.460 0.033 0.000 1.157 832 W HN 0.331 nan 8.180 nan 0.000 0.473 833 L N -0.271 121.054 121.223 0.171 0.000 2.131 833 L HA -0.213 4.142 4.340 0.025 0.000 0.210 833 L C 2.305 179.156 176.870 -0.031 0.000 1.092 833 L CA 1.860 56.718 54.840 0.030 0.000 0.759 833 L CB -1.774 40.383 42.059 0.162 0.000 0.903 833 L HN 0.046 nan 8.230 nan 0.000 0.435 834 F N -0.024 119.837 119.950 -0.150 0.000 2.084 834 F HA -0.239 4.301 4.527 0.021 0.000 0.296 834 F C 2.457 177.851 175.800 -0.678 0.000 1.111 834 F CA 1.061 58.726 58.000 -0.558 0.000 1.224 834 F CB -0.647 38.201 39.000 -0.252 0.000 0.991 834 F HN 0.039 nan 8.300 nan 0.000 0.471 835 F N 1.418 121.041 119.950 -0.545 0.000 2.141 835 F HA -0.273 4.267 4.527 0.021 0.000 0.300 835 F C 2.601 178.018 175.800 -0.638 0.000 1.079 835 F CA 2.245 59.925 58.000 -0.533 0.000 1.264 835 F CB -0.438 38.423 39.000 -0.232 0.000 1.011 835 F HN -0.037 nan 8.300 nan 0.000 0.487 836 R N -1.050 119.165 120.500 -0.475 0.000 2.119 836 R HA -0.134 4.221 4.340 0.025 0.000 0.222 836 R C 2.282 178.384 176.300 -0.329 0.000 1.088 836 R CA 1.420 57.242 56.100 -0.463 0.000 0.984 836 R CB -0.439 29.532 30.300 -0.548 0.000 0.884 836 R HN 0.601 nan 8.270 nan 0.000 0.447 837 Y N -1.875 118.232 120.300 -0.322 0.000 2.337 837 Y HA 0.041 4.607 4.550 0.026 0.000 0.293 837 Y C 1.895 177.582 175.900 -0.354 0.000 1.123 837 Y CA 0.236 58.173 58.100 -0.272 0.000 1.201 837 Y CB -0.398 37.956 38.460 -0.176 0.000 1.011 837 Y HN -0.163 nan 8.280 nan 0.000 0.545 838 M N 1.664 120.850 119.600 -0.690 0.000 2.065 838 M HA -0.177 4.318 4.480 0.025 0.000 0.259 838 M C 2.496 178.542 176.300 -0.423 0.000 1.071 838 M CA 1.917 56.839 55.300 -0.629 0.000 1.109 838 M CB -1.613 30.383 32.600 -1.007 0.000 1.313 838 M HN 0.541 nan 8.290 nan 0.000 0.408 839 A N 0.162 122.658 122.820 -0.541 0.000 1.933 839 A HA -0.134 4.201 4.320 0.025 0.000 0.218 839 A C 2.131 179.596 177.584 -0.199 0.000 1.175 839 A CA 1.212 53.006 52.037 -0.405 0.000 0.628 839 A CB -0.674 18.022 19.000 -0.507 0.000 0.814 839 A HN 0.407 nan 8.150 nan 0.000 0.444 840 I N 0.042 120.505 120.570 -0.178 0.000 2.163 840 I HA -0.215 3.970 4.170 0.025 0.000 0.243 840 I C 2.698 178.807 176.117 -0.014 0.000 1.085 840 I CA 1.555 62.805 61.300 -0.083 0.000 1.347 840 I CB -1.974 35.988 38.000 -0.064 0.000 1.044 840 I HN 0.357 nan 8.210 nan 0.000 0.408 841 G N 0.797 109.570 108.800 -0.044 0.000 2.545 841 G HA2 -0.250 3.725 3.960 0.025 0.000 0.217 841 G HA3 -0.250 3.725 3.960 0.025 0.000 0.217 841 G C 1.758 176.650 174.900 -0.013 0.000 1.218 841 G CA 1.097 46.183 45.100 -0.024 0.000 0.787 841 G HN 0.472 nan 8.290 nan 0.000 0.571 842 G N -0.159 108.615 108.800 -0.045 0.000 2.476 842 G HA2 -0.324 3.651 3.960 0.025 0.000 0.218 842 G HA3 -0.324 3.651 3.960 0.025 0.000 0.218 842 G C 1.703 176.610 174.900 0.012 0.000 1.164 842 G CA 1.268 46.350 45.100 -0.030 0.000 0.768 842 G HN 0.532 nan 8.290 nan 0.000 0.560 843 Y N 0.831 121.083 120.300 -0.080 0.000 2.333 843 Y HA -0.055 4.509 4.550 0.024 0.000 0.290 843 Y C 2.675 178.545 175.900 -0.050 0.000 1.144 843 Y CA 1.363 59.427 58.100 -0.061 0.000 1.228 843 Y CB 0.049 38.469 38.460 -0.066 0.000 0.985 843 Y HN 0.052 nan 8.280 nan 0.000 0.542 844 V N -0.026 119.962 119.914 0.124 0.000 2.379 844 V HA -0.201 3.934 4.120 0.025 0.000 0.245 844 V C 2.598 178.661 176.094 -0.052 0.000 1.044 844 V CA 1.844 64.165 62.300 0.035 0.000 1.036 844 V CB -1.368 30.483 31.823 0.047 0.000 0.664 844 V HN 0.615 nan 8.190 nan 0.000 0.453 845 G N -0.306 108.475 108.800 -0.032 0.000 2.418 845 G HA2 -0.192 3.783 3.960 0.025 0.000 0.217 845 G HA3 -0.192 3.783 3.960 0.025 0.000 0.217 845 G C 1.648 176.520 174.900 -0.047 0.000 1.158 845 G CA 1.025 46.111 45.100 -0.024 0.000 0.771 845 G HN 0.608 nan 8.290 nan 0.000 0.545 846 A N 0.457 123.222 122.820 -0.092 0.000 2.072 846 A HA 0.571 4.906 4.320 0.025 0.000 0.216 846 A C 2.599 180.071 177.584 -0.186 0.000 1.156 846 A CA 1.584 53.553 52.037 -0.113 0.000 0.701 846 A CB -0.277 18.651 19.000 -0.120 0.000 0.816 846 A HN 0.603 nan 8.150 nan 0.000 0.458 847 A N -0.108 122.547 122.820 -0.275 0.000 1.935 847 A HA 0.015 4.350 4.320 0.025 0.000 0.214 847 A C 2.384 179.867 177.584 -0.169 0.000 1.178 847 A CA 2.058 53.909 52.037 -0.309 0.000 0.640 847 A CB -1.032 17.713 19.000 -0.425 0.000 0.825 847 A HN 0.618 nan 8.150 nan 0.000 0.447 848 T N -2.467 112.020 114.554 -0.112 0.000 2.812 848 T HA -0.077 4.288 4.350 0.025 0.000 0.264 848 T C 1.734 176.410 174.700 -0.040 0.000 1.042 848 T CA 1.312 63.371 62.100 -0.068 0.000 1.140 848 T CB -0.858 67.984 68.868 -0.045 0.000 0.870 848 T HN 0.025 nan 8.240 nan 0.000 0.445 849 V N 2.431 122.331 119.914 -0.024 0.000 2.231 849 V HA -0.116 4.019 4.120 0.025 0.000 0.248 849 V C 3.066 179.174 176.094 0.024 0.000 1.054 849 V CA 2.105 64.411 62.300 0.010 0.000 1.015 849 V CB -1.671 30.163 31.823 0.017 0.000 0.638 849 V HN 0.690 nan 8.190 nan 0.000 0.444 850 G N -0.225 108.571 108.800 -0.006 0.000 2.628 850 G HA2 -0.323 3.652 3.960 0.025 0.000 0.217 850 G HA3 -0.323 3.652 3.960 0.025 0.000 0.217 850 G C 1.767 176.700 174.900 0.055 0.000 1.240 850 G CA 1.547 46.653 45.100 0.010 0.000 0.792 850 G HN 0.699 nan 8.290 nan 0.000 0.593 851 A N 0.760 123.562 122.820 -0.030 0.000 2.032 851 A HA 0.169 4.504 4.320 0.025 0.000 0.221 851 A C 2.744 180.395 177.584 0.112 0.000 1.165 851 A CA 2.508 54.544 52.037 -0.003 0.000 0.645 851 A CB -0.644 18.292 19.000 -0.107 0.000 0.807 851 A HN 0.934 nan 8.150 nan 0.000 0.453 852 A N -0.162 122.686 122.820 0.048 0.000 1.840 852 A HA 0.279 4.614 4.320 0.025 0.000 0.214 852 A C 2.414 180.046 177.584 0.080 0.000 1.198 852 A CA 1.647 53.686 52.037 0.003 0.000 0.608 852 A CB -1.134 17.872 19.000 0.010 0.000 0.839 852 A HN 1.173 nan 8.150 nan 0.000 0.443 853 A N -2.718 120.212 122.820 0.184 0.000 2.259 853 A HA -0.056 4.279 4.320 0.025 0.000 0.212 853 A C 1.565 179.336 177.584 0.311 0.000 1.178 853 A CA 1.252 53.445 52.037 0.260 0.000 0.734 853 A CB -0.759 18.337 19.000 0.160 0.000 0.774 853 A HN 0.926 nan 8.150 nan 0.000 0.481 854 W N -3.197 118.146 121.300 0.073 0.000 2.714 854 W HA 0.360 5.034 4.660 0.024 0.000 0.353 854 W C 0.765 177.337 176.519 0.088 0.000 0.999 854 W CA -0.574 56.828 57.345 0.096 0.000 1.629 854 W CB 0.165 29.661 29.460 0.059 0.000 1.106 854 W HN 0.313 nan 8.180 nan 0.000 0.545 855 W N 0.454 121.778 121.300 0.041 0.000 3.316 855 W HA 0.271 4.945 4.660 0.024 0.000 0.327 855 W C 0.491 176.812 176.519 -0.329 0.000 1.232 855 W CA 0.347 57.544 57.345 -0.246 0.000 1.805 855 W CB -0.359 28.969 29.460 -0.221 0.000 1.090 855 W HN -0.078 nan 8.180 nan 0.000 0.654 856 F N -0.469 119.413 119.950 -0.113 0.000 2.678 856 F HA 0.140 4.681 4.527 0.024 0.000 0.291 856 F C 1.819 177.418 175.800 -0.335 0.000 1.123 856 F CA 0.343 58.194 58.000 -0.248 0.000 1.395 856 F CB 0.329 39.271 39.000 -0.098 0.000 1.121 856 F HN -0.182 nan 8.300 nan 0.000 0.592 857 M N -1.892 117.618 119.600 -0.150 0.000 3.003 857 M HA 0.112 4.607 4.480 0.025 0.000 0.148 857 M C 1.112 177.158 176.300 -0.422 0.000 1.643 857 M CA 0.154 55.301 55.300 -0.256 0.000 1.598 857 M CB -0.799 31.706 32.600 -0.158 0.000 0.778 857 M HN -0.228 nan 8.290 nan 0.000 0.556 858 Y N 1.432 121.422 120.300 -0.516 0.000 2.723 858 Y HA -0.010 4.555 4.550 0.024 0.000 0.286 858 Y C 0.980 176.407 175.900 -0.788 0.000 1.159 858 Y CA 0.434 58.178 58.100 -0.593 0.000 1.442 858 Y CB -0.992 37.136 38.460 -0.554 0.000 0.959 858 Y HN 0.266 nan 8.280 nan 0.000 0.581 859 A N 0.608 122.956 122.820 -0.786 0.000 2.366 859 A HA 0.230 4.565 4.320 0.025 0.000 0.322 859 A C 1.187 178.437 177.584 -0.556 0.000 1.397 859 A CA -0.521 51.032 52.037 -0.806 0.000 0.984 859 A CB -0.083 18.331 19.000 -0.976 0.000 1.149 859 A HN 0.605 nan 8.150 nan 0.000 0.540 860 E N 1.722 121.720 120.200 -0.337 0.000 2.279 860 E HA -0.294 4.071 4.350 0.025 0.000 0.205 860 E C 0.028 176.480 176.600 -0.247 0.000 1.028 860 E CA 2.013 58.278 56.400 -0.225 0.000 0.830 860 E CB -0.212 29.422 29.700 -0.110 0.000 0.736 860 E HN 0.638 nan 8.360 nan 0.000 0.478 861 D N 0.030 120.245 120.400 -0.310 0.000 2.349 861 D HA 0.086 4.741 4.640 0.025 0.000 0.224 861 D C 0.873 176.824 176.300 -0.581 0.000 1.029 861 D CA 1.098 54.958 54.000 -0.233 0.000 0.879 861 D CB 0.682 41.620 40.800 0.231 0.000 0.906 861 D HN 0.375 nan 8.370 nan 0.000 0.528 862 G N 1.173 109.467 108.800 -0.843 0.000 5.374 862 G HA2 0.134 4.108 3.960 0.025 0.000 0.198 862 G HA3 0.134 4.108 3.960 0.025 0.000 0.198 862 G C -2.786 171.793 174.900 -0.534 0.000 0.812 862 G CA -0.707 43.916 45.100 -0.795 0.000 0.614 862 G HN -0.138 nan 8.290 nan 0.000 0.357 863 P HA 0.117 nan 4.420 nan 0.000 0.242 863 P C 0.967 178.119 177.300 -0.247 0.000 1.116 863 P CA 0.992 63.908 63.100 -0.307 0.000 0.954 863 P CB 0.472 32.031 31.700 -0.235 0.000 0.908 864 G N 1.977 110.636 108.800 -0.235 0.000 2.531 864 G HA2 0.367 4.342 3.960 0.025 0.000 0.313 864 G HA3 0.367 4.342 3.960 0.025 0.000 0.313 864 G C -0.556 174.253 174.900 -0.152 0.000 1.238 864 G CA -0.665 44.319 45.100 -0.194 0.000 0.994 864 G HN 0.199 nan 8.290 nan 0.000 0.493 865 V N 1.144 120.999 119.914 -0.097 0.000 2.400 865 V HA 0.088 4.223 4.120 0.025 0.000 0.263 865 V C 1.682 177.740 176.094 -0.060 0.000 1.026 865 V CA 0.855 63.127 62.300 -0.047 0.000 1.077 865 V CB 0.266 32.110 31.823 0.034 0.000 1.054 865 V HN 0.889 nan 8.190 nan 0.000 0.477 866 T N 2.216 116.682 114.554 -0.146 0.000 3.500 866 T HA 0.101 4.466 4.350 0.025 0.000 0.244 866 T C 0.354 174.906 174.700 -0.246 0.000 0.962 866 T CA 0.376 62.331 62.100 -0.242 0.000 0.932 866 T CB -0.714 67.909 68.868 -0.409 0.000 1.096 866 T HN 0.649 nan 8.240 nan 0.000 0.617 867 Y N -0.196 120.077 120.300 -0.045 0.000 2.715 867 Y HA 0.280 4.844 4.550 0.024 0.000 0.255 867 Y C 0.877 176.834 175.900 0.094 0.000 1.139 867 Y CA -0.852 57.245 58.100 -0.004 0.000 1.151 867 Y CB 0.312 38.743 38.460 -0.048 0.000 1.201 867 Y HN 0.721 nan 8.280 nan 0.000 0.556 868 H N -1.410 117.721 119.070 0.101 0.000 3.620 868 H HA -0.188 4.383 4.556 0.026 0.000 0.169 868 H C 1.272 176.644 175.328 0.074 0.000 0.912 868 H CA 0.754 56.848 56.048 0.077 0.000 1.226 868 H CB -0.582 29.224 29.762 0.074 0.000 0.963 868 H HN 0.273 nan 8.280 nan 0.000 0.401 869 Q N 0.554 120.467 119.800 0.189 0.000 2.561 869 Q HA -0.029 4.326 4.340 0.025 0.000 0.217 869 Q C 2.101 178.229 176.000 0.214 0.000 0.980 869 Q CA 1.181 57.119 55.803 0.225 0.000 0.927 869 Q CB -0.052 28.754 28.738 0.115 0.000 0.980 869 Q HN 0.627 nan 8.270 nan 0.000 0.525 870 L N 0.026 121.294 121.223 0.074 0.000 2.551 870 L HA -0.001 4.354 4.340 0.025 0.000 0.228 870 L C 1.770 178.666 176.870 0.043 0.000 1.153 870 L CA 1.274 56.120 54.840 0.011 0.000 0.851 870 L CB -0.391 41.605 42.059 -0.104 0.000 0.959 870 L HN -0.065 nan 8.230 nan 0.000 0.451 871 T N -0.719 113.829 114.554 -0.011 0.000 2.881 871 T HA -0.119 4.245 4.350 0.025 0.000 0.270 871 T C 0.008 174.537 174.700 -0.286 0.000 1.068 871 T CA 1.230 63.223 62.100 -0.179 0.000 1.131 871 T CB -0.507 68.169 68.868 -0.319 0.000 0.871 871 T HN 0.531 nan 8.240 nan 0.000 0.479 872 H N 0.703 119.847 119.070 0.122 0.000 2.746 872 H HA 0.315 4.886 4.556 0.025 0.000 0.269 872 H C 0.327 175.663 175.328 0.014 0.000 1.248 872 H CA -0.756 55.299 56.048 0.012 0.000 1.258 872 H CB -0.499 29.251 29.762 -0.020 0.000 1.441 872 H HN 0.391 nan 8.280 nan 0.000 0.508 873 F N -0.169 119.644 119.950 -0.228 0.000 2.645 873 F HA 0.171 4.712 4.527 0.023 0.000 0.300 873 F C 1.025 176.566 175.800 -0.432 0.000 1.115 873 F CA -0.400 57.215 58.000 -0.642 0.000 1.355 873 F CB 0.070 38.580 39.000 -0.817 0.000 1.026 873 F HN 0.263 nan 8.300 nan 0.000 0.536 874 M N 0.375 119.656 119.600 -0.532 0.000 2.155 874 M HA 0.041 4.536 4.480 0.025 0.000 0.258 874 M C 0.829 176.972 176.300 -0.261 0.000 1.092 874 M CA 1.013 56.046 55.300 -0.445 0.000 1.153 874 M CB -1.388 30.991 32.600 -0.368 0.000 1.316 874 M HN 0.228 nan 8.290 nan 0.000 0.431 875 Q N 0.960 120.647 119.800 -0.188 0.000 3.254 875 Q HA 0.129 4.484 4.340 0.025 0.000 0.315 875 Q C 1.079 177.016 176.000 -0.106 0.000 1.405 875 Q CA -0.457 55.250 55.803 -0.160 0.000 0.966 875 Q CB -0.042 28.567 28.738 -0.214 0.000 1.706 875 Q HN 0.435 nan 8.270 nan 0.000 0.525 876 c N 0.480 119.015 118.600 -0.108 0.000 5.534 876 c HA -0.130 4.455 4.570 0.025 0.000 0.294 876 c C 2.343 176.410 174.090 -0.039 0.000 1.238 876 c CA 1.404 57.697 56.329 -0.060 0.000 1.883 876 c CB -0.396 42.079 42.510 -0.057 0.000 2.037 876 c HN 0.708 nan 8.230 nan 0.000 0.410 877 T N 0.154 114.728 114.554 0.034 0.000 2.951 877 T HA -0.094 4.271 4.350 0.025 0.000 0.268 877 T C 1.504 176.250 174.700 0.077 0.000 1.073 877 T CA 1.465 63.652 62.100 0.145 0.000 1.134 877 T CB -0.467 68.488 68.868 0.144 0.000 0.884 877 T HN 0.697 nan 8.240 nan 0.000 0.479 878 E N 2.235 122.432 120.200 -0.004 0.000 2.108 878 E HA -0.199 4.166 4.350 0.025 0.000 0.203 878 E C 0.357 176.914 176.600 -0.072 0.000 1.022 878 E CA 1.601 57.971 56.400 -0.049 0.000 0.823 878 E CB -0.169 29.472 29.700 -0.099 0.000 0.744 878 E HN 0.361 nan 8.360 nan 0.000 0.456 879 D N -1.497 118.841 120.400 -0.103 0.000 2.804 879 D HA 0.056 4.711 4.640 0.025 0.000 0.308 879 D C 0.519 176.848 176.300 0.049 0.000 1.371 879 D CA -0.211 53.710 54.000 -0.131 0.000 0.823 879 D CB -0.048 40.365 40.800 -0.645 0.000 1.126 879 D HN 0.204 nan 8.370 nan 0.000 0.467 880 H N 1.433 120.502 119.070 -0.002 0.000 2.368 880 H HA -0.127 4.445 4.556 0.025 0.000 0.292 880 H C -1.113 174.233 175.328 0.030 0.000 1.117 880 H CA 1.537 57.600 56.048 0.025 0.000 1.231 880 H CB -0.428 29.346 29.762 0.020 0.000 1.359 880 H HN 0.181 nan 8.280 nan 0.000 0.490 881 P HA 0.075 nan 4.420 nan 0.000 0.255 881 P C 0.333 177.635 177.300 0.003 0.000 1.248 881 P CA 0.282 63.444 63.100 0.102 0.000 0.807 881 P CB 0.102 31.826 31.700 0.041 0.000 1.150 882 H N 0.027 119.007 119.070 -0.150 0.000 3.051 882 H HA 0.149 4.720 4.556 0.025 0.000 0.224 882 H C 0.120 175.208 175.328 -0.400 0.000 1.434 882 H CA 0.806 56.617 56.048 -0.395 0.000 1.333 882 H CB -0.715 28.829 29.762 -0.363 0.000 1.835 882 H HN -0.077 nan 8.280 nan 0.000 0.883 883 F N 1.521 121.562 119.950 0.151 0.000 2.661 883 F HA 0.162 4.705 4.527 0.026 0.000 0.356 883 F C 0.772 176.600 175.800 0.047 0.000 1.244 883 F CA -0.079 57.958 58.000 0.062 0.000 1.290 883 F CB -0.157 38.877 39.000 0.057 0.000 1.677 883 F HN 0.270 nan 8.300 nan 0.000 0.649 884 E N 0.224 120.501 120.200 0.129 0.000 3.489 884 E HA 0.639 5.004 4.350 0.025 0.000 0.155 884 E C 0.786 177.417 176.600 0.052 0.000 0.892 884 E CA -0.397 56.045 56.400 0.069 0.000 0.997 884 E CB 0.635 30.360 29.700 0.041 0.000 1.900 884 E HN 0.228 nan 8.360 nan 0.000 0.372 885 G N 0.214 109.046 108.800 0.053 0.000 2.147 885 G HA2 0.018 3.993 3.960 0.025 0.000 0.128 885 G HA3 0.018 3.993 3.960 0.025 0.000 0.128 885 G C -0.167 174.752 174.900 0.031 0.000 1.026 885 G CA 0.404 45.529 45.100 0.043 0.000 0.693 885 G HN 0.340 nan 8.290 nan 0.000 0.499 886 L N -4.205 117.045 121.223 0.044 0.000 2.547 886 L HA 0.790 5.145 4.340 0.025 0.000 0.309 886 L C 0.014 176.904 176.870 0.035 0.000 0.696 886 L CA -0.040 54.820 54.840 0.033 0.000 1.149 886 L CB -0.443 41.608 42.059 -0.013 0.000 1.700 886 L HN 0.044 nan 8.230 nan 0.000 0.336 887 D N -1.251 119.152 120.400 0.005 0.000 2.181 887 D HA 0.376 5.031 4.640 0.025 0.000 0.262 887 D C 0.460 176.751 176.300 -0.015 0.000 1.222 887 D CA 1.160 55.177 54.000 0.028 0.000 0.993 887 D CB 0.952 41.768 40.800 0.026 0.000 1.160 887 D HN 0.764 nan 8.370 nan 0.000 0.528 888 c N -1.513 117.120 118.600 0.055 0.000 4.061 888 c HA 0.231 4.815 4.570 0.025 0.000 0.568 888 c C 0.755 174.993 174.090 0.247 0.000 1.261 888 c CA -0.171 56.229 56.329 0.118 0.000 2.569 888 c CB -0.663 41.914 42.510 0.113 0.000 3.702 888 c HN 0.692 nan 8.230 nan 0.000 0.477 889 E N 0.665 120.976 120.200 0.184 0.000 2.349 889 E HA 0.128 4.492 4.350 0.025 0.000 0.201 889 E C 0.897 177.622 176.600 0.209 0.000 1.087 889 E CA -0.036 56.492 56.400 0.213 0.000 1.128 889 E CB 0.055 29.841 29.700 0.144 0.000 1.188 889 E HN 0.671 nan 8.360 nan 0.000 0.445 890 I N -0.125 120.534 120.570 0.148 0.000 3.603 890 I HA 0.007 4.192 4.170 0.025 0.000 0.297 890 I C 0.667 176.833 176.117 0.081 0.000 1.269 890 I CA 0.560 61.868 61.300 0.013 0.000 1.361 890 I CB 0.131 37.991 38.000 -0.233 0.000 1.063 890 I HN 0.165 nan 8.210 nan 0.000 0.448 891 F N 0.382 120.426 119.950 0.156 0.000 2.270 891 F HA 0.088 4.629 4.527 0.024 0.000 0.295 891 F C 2.206 178.138 175.800 0.220 0.000 1.087 891 F CA 0.621 58.727 58.000 0.176 0.000 1.365 891 F CB -0.817 38.177 39.000 -0.011 0.000 1.056 891 F HN 0.000 nan 8.300 nan 0.000 0.506 892 E N 0.951 121.361 120.200 0.350 0.000 2.478 892 E HA 0.094 4.459 4.350 0.025 0.000 0.198 892 E C 0.999 177.690 176.600 0.152 0.000 1.046 892 E CA 0.141 56.666 56.400 0.209 0.000 0.870 892 E CB -0.130 29.670 29.700 0.166 0.000 0.818 892 E HN 0.272 nan 8.360 nan 0.000 0.527 893 A N 2.057 124.990 122.820 0.188 0.000 2.609 893 A HA -0.048 4.287 4.320 0.025 0.000 0.232 893 A C -1.578 175.997 177.584 -0.016 0.000 1.041 893 A CA -0.718 51.379 52.037 0.099 0.000 0.753 893 A CB 0.102 19.217 19.000 0.192 0.000 0.966 893 A HN -0.045 nan 8.150 nan 0.000 0.510 894 P HA -0.071 nan 4.420 nan 0.000 0.217 894 P C 1.028 178.127 177.300 -0.334 0.000 1.151 894 P CA 1.289 64.283 63.100 -0.177 0.000 0.828 894 P CB 0.152 31.751 31.700 -0.169 0.000 0.788 895 E N 0.405 120.265 120.200 -0.566 0.000 2.055 895 E HA -0.206 4.159 4.350 0.025 0.000 0.209 895 E C -0.484 175.654 176.600 -0.769 0.000 1.036 895 E CA 2.508 58.316 56.400 -0.987 0.000 0.849 895 E CB -2.280 26.106 29.700 -2.190 0.000 0.767 895 E HN 0.403 nan 8.360 nan 0.000 0.461 896 P HA -0.220 nan 4.420 nan 0.000 0.217 896 P C 1.228 178.374 177.300 -0.256 0.000 1.148 896 P CA 1.754 64.589 63.100 -0.443 0.000 0.834 896 P CB -0.038 31.347 31.700 -0.526 0.000 0.783 897 M N -1.290 118.181 119.600 -0.216 0.000 2.193 897 M HA -0.044 4.451 4.480 0.025 0.000 0.265 897 M C 2.045 178.237 176.300 -0.180 0.000 1.071 897 M CA 1.744 56.958 55.300 -0.142 0.000 1.140 897 M CB -1.052 31.494 32.600 -0.089 0.000 1.369 897 M HN -0.098 nan 8.290 nan 0.000 0.423 898 T N 0.551 114.944 114.554 -0.268 0.000 2.915 898 T HA -0.031 4.334 4.350 0.025 0.000 0.269 898 T C 1.791 176.299 174.700 -0.321 0.000 1.071 898 T CA 0.903 62.826 62.100 -0.294 0.000 1.132 898 T CB -0.001 68.647 68.868 -0.366 0.000 0.878 898 T HN 0.252 nan 8.240 nan 0.000 0.479 899 M N 0.865 120.272 119.600 -0.321 0.000 2.288 899 M HA 0.183 4.677 4.480 0.025 0.000 0.266 899 M C 2.754 178.955 176.300 -0.165 0.000 1.072 899 M CA 0.820 55.970 55.300 -0.249 0.000 1.132 899 M CB -1.091 31.413 32.600 -0.160 0.000 1.386 899 M HN 0.309 nan 8.290 nan 0.000 0.432 900 A N 0.133 122.872 122.820 -0.135 0.000 1.897 900 A HA -0.100 4.235 4.320 0.025 0.000 0.215 900 A C 2.098 179.640 177.584 -0.070 0.000 1.181 900 A CA 1.162 53.148 52.037 -0.085 0.000 0.620 900 A CB -0.621 18.343 19.000 -0.061 0.000 0.821 900 A HN 0.427 nan 8.150 nan 0.000 0.443 901 L N -1.306 119.876 121.223 -0.069 0.000 2.307 901 L HA 0.183 4.538 4.340 0.025 0.000 0.211 901 L C 2.204 179.065 176.870 -0.015 0.000 1.099 901 L CA 2.025 56.851 54.840 -0.023 0.000 0.816 901 L CB -0.515 41.545 42.059 0.002 0.000 0.952 901 L HN 0.185 nan 8.230 nan 0.000 0.455 902 S N -1.024 114.637 115.700 -0.065 0.000 2.402 902 S HA -0.094 4.391 4.470 0.025 0.000 0.229 902 S C 1.813 176.364 174.600 -0.082 0.000 1.021 902 S CA 1.363 59.504 58.200 -0.099 0.000 0.974 902 S CB -0.186 62.828 63.200 -0.310 0.000 0.800 902 S HN 0.362 nan 8.310 nan 0.000 0.484 903 V N 1.508 121.374 119.914 -0.080 0.000 2.453 903 V HA -0.049 4.086 4.120 0.025 0.000 0.247 903 V C 2.163 178.237 176.094 -0.033 0.000 1.048 903 V CA 1.247 63.517 62.300 -0.051 0.000 1.049 903 V CB -0.563 31.214 31.823 -0.076 0.000 0.672 903 V HN 0.436 nan 8.190 nan 0.000 0.457 904 L N -0.293 120.907 121.223 -0.038 0.000 2.191 904 L HA -0.089 4.266 4.340 0.025 0.000 0.212 904 L C 2.159 179.010 176.870 -0.031 0.000 1.103 904 L CA 1.688 56.512 54.840 -0.027 0.000 0.769 904 L CB -0.196 41.851 42.059 -0.020 0.000 0.908 904 L HN 0.091 nan 8.230 nan 0.000 0.438 905 V N -0.866 119.014 119.914 -0.056 0.000 2.300 905 V HA -0.200 3.935 4.120 0.025 0.000 0.241 905 V C 2.419 178.479 176.094 -0.056 0.000 1.034 905 V CA 2.007 64.255 62.300 -0.087 0.000 1.021 905 V CB -0.647 31.043 31.823 -0.222 0.000 0.662 905 V HN 0.532 nan 8.190 nan 0.000 0.458 906 T N 0.532 115.060 114.554 -0.044 0.000 2.822 906 T HA -0.161 4.204 4.350 0.025 0.000 0.270 906 T C 1.789 176.510 174.700 0.035 0.000 1.064 906 T CA 1.608 63.716 62.100 0.012 0.000 1.131 906 T CB -0.291 68.616 68.868 0.065 0.000 0.858 906 T HN 0.310 nan 8.240 nan 0.000 0.483 907 I N 0.849 121.440 120.570 0.036 0.000 2.202 907 I HA -0.096 4.089 4.170 0.025 0.000 0.242 907 I C 2.666 178.816 176.117 0.056 0.000 1.091 907 I CA 1.107 62.445 61.300 0.063 0.000 1.368 907 I CB -0.304 37.749 38.000 0.088 0.000 1.058 907 I HN 0.129 nan 8.210 nan 0.000 0.410 908 E N 0.321 120.541 120.200 0.034 0.000 2.268 908 E HA -0.151 4.214 4.350 0.025 0.000 0.195 908 E C 2.158 178.858 176.600 0.166 0.000 0.995 908 E CA 0.904 57.339 56.400 0.057 0.000 0.836 908 E CB -0.131 29.546 29.700 -0.038 0.000 0.763 908 E HN 0.385 nan 8.360 nan 0.000 0.491 909 M N -0.049 119.608 119.600 0.095 0.000 2.099 909 M HA -0.129 4.366 4.480 0.025 0.000 0.262 909 M C 2.490 178.838 176.300 0.081 0.000 1.067 909 M CA 0.943 56.294 55.300 0.087 0.000 1.124 909 M CB -1.338 31.287 32.600 0.042 0.000 1.353 909 M HN 0.176 nan 8.290 nan 0.000 0.410 910 C N 0.344 119.684 119.300 0.067 0.000 2.413 910 C HA -0.141 4.334 4.460 0.025 0.000 0.277 910 C C 2.528 177.555 174.990 0.061 0.000 1.265 910 C CA 1.099 60.146 59.018 0.048 0.000 1.752 910 C CB -1.653 26.106 27.740 0.032 0.000 1.998 910 C HN 0.605 nan 8.230 nan 0.000 0.489 911 N N 1.221 119.994 118.700 0.122 0.000 2.166 911 N HA -0.075 4.680 4.740 0.025 0.000 0.186 911 N C 1.714 177.346 175.510 0.203 0.000 1.019 911 N CA 1.620 54.786 53.050 0.194 0.000 0.856 911 N CB -0.318 38.319 38.487 0.251 0.000 0.993 911 N HN 0.456 nan 8.380 nan 0.000 0.426 912 A N -0.205 122.713 122.820 0.162 0.000 2.076 912 A HA -0.073 4.262 4.320 0.025 0.000 0.220 912 A C 2.070 179.555 177.584 -0.166 0.000 1.160 912 A CA 1.037 52.908 52.037 -0.277 0.000 0.653 912 A CB -0.478 18.421 19.000 -0.169 0.000 0.801 912 A HN 0.357 nan 8.150 nan 0.000 0.455 913 L N -1.675 119.517 121.223 -0.052 0.000 2.221 913 L HA 0.008 4.363 4.340 0.025 0.000 0.202 913 L C 2.120 178.964 176.870 -0.045 0.000 1.074 913 L CA 0.906 55.718 54.840 -0.046 0.000 0.795 913 L CB -0.589 41.459 42.059 -0.019 0.000 0.960 913 L HN 0.311 nan 8.230 nan 0.000 0.458 914 N N -0.180 118.508 118.700 -0.019 0.000 2.096 914 N HA -0.232 4.523 4.740 0.025 0.000 0.195 914 N C 1.764 177.261 175.510 -0.021 0.000 1.017 914 N CA 1.750 54.793 53.050 -0.012 0.000 0.870 914 N CB -0.133 38.360 38.487 0.010 0.000 1.024 914 N HN 0.106 nan 8.380 nan 0.000 0.434 915 S N 0.139 115.816 115.700 -0.037 0.000 2.515 915 S HA 0.098 4.583 4.470 0.025 0.000 0.231 915 S C 1.630 176.186 174.600 -0.074 0.000 0.987 915 S CA 0.272 58.441 58.200 -0.052 0.000 0.936 915 S CB -0.106 63.031 63.200 -0.105 0.000 0.766 915 S HN 0.245 nan 8.310 nan 0.000 0.528 916 L N 0.218 121.395 121.223 -0.077 0.000 2.261 916 L HA 0.018 4.373 4.340 0.025 0.000 0.216 916 L C 0.950 177.791 176.870 -0.048 0.000 1.114 916 L CA 0.610 55.412 54.840 -0.064 0.000 0.777 916 L CB -0.102 41.918 42.059 -0.065 0.000 0.910 916 L HN 0.120 nan 8.230 nan 0.000 0.440 917 S N -1.432 114.245 115.700 -0.038 0.000 2.668 917 S HA 0.120 4.605 4.470 0.025 0.000 0.277 917 S C 0.555 175.154 174.600 -0.003 0.000 1.170 917 S CA -0.773 57.413 58.200 -0.023 0.000 0.994 917 S CB 1.608 64.791 63.200 -0.029 0.000 1.051 917 S HN 0.300 nan 8.310 nan 0.000 0.484 918 E N 3.672 123.877 120.200 0.008 0.000 2.160 918 E HA -0.182 4.183 4.350 0.025 0.000 0.195 918 E C 0.740 177.376 176.600 0.061 0.000 0.991 918 E CA 1.876 58.297 56.400 0.034 0.000 0.810 918 E CB 0.094 29.819 29.700 0.042 0.000 0.742 918 E HN 0.555 nan 8.360 nan 0.000 0.466 919 N N -0.975 117.753 118.700 0.047 0.000 2.249 919 N HA 0.031 4.786 4.740 0.025 0.000 0.239 919 N C -0.551 174.979 175.510 0.034 0.000 1.185 919 N CA -0.041 53.047 53.050 0.062 0.000 0.825 919 N CB 0.514 39.041 38.487 0.066 0.000 1.372 919 N HN 0.024 nan 8.380 nan 0.000 0.472 920 Q N 1.897 121.702 119.800 0.008 0.000 2.348 920 Q HA 0.242 4.597 4.340 0.025 0.000 0.251 920 Q C -0.426 175.568 176.000 -0.010 0.000 1.113 920 Q CA -0.022 55.777 55.803 -0.007 0.000 0.902 920 Q CB 0.345 29.069 28.738 -0.023 0.000 1.333 920 Q HN 0.149 nan 8.270 nan 0.000 0.457 921 S N 2.528 118.233 115.700 0.008 0.000 2.558 921 S HA -0.135 4.350 4.470 0.025 0.000 0.297 921 S C 1.297 175.882 174.600 -0.025 0.000 1.283 921 S CA -0.225 57.983 58.200 0.013 0.000 1.044 921 S CB 0.379 63.607 63.200 0.047 0.000 0.789 921 S HN 0.548 nan 8.310 nan 0.000 0.500 922 L N 1.884 123.086 121.223 -0.035 0.000 2.349 922 L HA -0.149 4.206 4.340 0.025 0.000 0.220 922 L C 2.211 179.020 176.870 -0.102 0.000 1.130 922 L CA 1.353 56.146 54.840 -0.079 0.000 0.791 922 L CB -0.647 41.373 42.059 -0.066 0.000 0.918 922 L HN 0.696 nan 8.230 nan 0.000 0.444 923 M N -1.241 118.326 119.600 -0.055 0.000 2.077 923 M HA -0.182 4.313 4.480 0.025 0.000 0.261 923 M C 2.331 178.590 176.300 -0.069 0.000 1.070 923 M CA 1.818 57.090 55.300 -0.047 0.000 1.125 923 M CB -0.275 32.324 32.600 -0.002 0.000 1.339 923 M HN 0.111 nan 8.290 nan 0.000 0.409 924 R N -0.693 119.773 120.500 -0.057 0.000 2.173 924 R HA 0.208 4.563 4.340 0.025 0.000 0.208 924 R C 0.793 177.038 176.300 -0.091 0.000 1.035 924 R CA 0.342 56.408 56.100 -0.055 0.000 1.004 924 R CB 0.212 30.496 30.300 -0.028 0.000 0.917 924 R HN 0.300 nan 8.270 nan 0.000 0.462 925 M N 2.485 122.013 119.600 -0.119 0.000 2.060 925 M HA 0.333 4.828 4.480 0.025 0.000 0.342 925 M C -2.530 173.602 176.300 -0.280 0.000 1.031 925 M CA -2.373 52.831 55.300 -0.160 0.000 0.981 925 M CB 1.371 33.904 32.600 -0.113 0.000 1.376 925 M HN -0.256 nan 8.290 nan 0.000 0.397 926 P HA 0.108 nan 4.420 nan 0.000 0.267 926 P C -2.466 174.379 177.300 -0.759 0.000 1.200 926 P CA -0.622 61.938 63.100 -0.901 0.000 0.772 926 P CB 0.011 30.715 31.700 -1.659 0.000 0.855 927 P HA 0.079 nan 4.420 nan 0.000 0.261 927 P C 0.130 177.379 177.300 -0.085 0.000 1.352 927 P CA 0.070 63.019 63.100 -0.252 0.000 0.891 927 P CB -0.296 31.325 31.700 -0.133 0.000 1.383 928 W N -2.098 119.213 121.300 0.017 0.000 2.863 928 W HA 0.145 4.820 4.660 0.025 0.000 0.258 928 W C 1.275 177.810 176.519 0.025 0.000 1.298 928 W CA -0.090 57.268 57.345 0.023 0.000 1.451 928 W CB -1.700 27.771 29.460 0.020 0.000 1.107 928 W HN -0.340 nan 8.180 nan 0.000 0.641 929 V N 2.359 122.287 119.914 0.024 0.000 2.218 929 V HA -0.372 3.763 4.120 0.025 0.000 0.251 929 V C 1.371 177.510 176.094 0.075 0.000 1.057 929 V CA 2.320 64.648 62.300 0.048 0.000 1.022 929 V CB -1.174 30.619 31.823 -0.051 0.000 0.645 929 V HN 0.339 nan 8.190 nan 0.000 0.451 930 N N 0.903 119.638 118.700 0.058 0.000 2.401 930 N HA 0.072 4.827 4.740 0.025 0.000 0.255 930 N C 0.523 176.131 175.510 0.163 0.000 1.110 930 N CA 0.022 53.126 53.050 0.090 0.000 0.949 930 N CB 0.787 39.329 38.487 0.091 0.000 1.110 930 N HN 0.201 nan 8.380 nan 0.000 0.490 931 I N 2.094 122.790 120.570 0.210 0.000 2.406 931 I HA -0.124 4.061 4.170 0.025 0.000 0.249 931 I C 2.032 178.406 176.117 0.429 0.000 1.122 931 I CA 0.569 62.058 61.300 0.316 0.000 1.431 931 I CB -1.010 37.233 38.000 0.405 0.000 1.087 931 I HN 0.607 nan 8.210 nan 0.000 0.424 932 W N 1.046 122.344 121.300 -0.002 0.000 2.364 932 W HA -0.222 4.453 4.660 0.024 0.000 0.281 932 W C 2.468 179.022 176.519 0.058 0.000 1.219 932 W CA 0.294 57.625 57.345 -0.022 0.000 1.220 932 W CB 0.047 29.427 29.460 -0.134 0.000 1.127 932 W HN 0.177 nan 8.180 nan 0.000 0.556 933 L N 0.210 121.616 121.223 0.305 0.000 2.095 933 L HA -0.099 4.256 4.340 0.025 0.000 0.204 933 L C 2.133 179.063 176.870 0.099 0.000 1.080 933 L CA 1.783 56.723 54.840 0.168 0.000 0.759 933 L CB -0.891 41.231 42.059 0.105 0.000 0.914 933 L HN -0.131 nan 8.230 nan 0.000 0.439 934 L N -0.473 120.817 121.223 0.112 0.000 2.093 934 L HA -0.048 4.307 4.340 0.025 0.000 0.208 934 L C 2.583 179.483 176.870 0.050 0.000 1.085 934 L CA 1.098 55.986 54.840 0.080 0.000 0.755 934 L CB -1.577 40.543 42.059 0.102 0.000 0.904 934 L HN 0.435 nan 8.230 nan 0.000 0.435 935 G N -0.375 108.450 108.800 0.042 0.000 2.514 935 G HA2 -0.391 3.584 3.960 0.025 0.000 0.217 935 G HA3 -0.391 3.584 3.960 0.025 0.000 0.217 935 G C 1.791 176.662 174.900 -0.049 0.000 1.198 935 G CA 1.248 46.316 45.100 -0.054 0.000 0.780 935 G HN 0.402 nan 8.290 nan 0.000 0.565 936 S N 0.451 116.138 115.700 -0.023 0.000 2.392 936 S HA -0.170 4.315 4.470 0.025 0.000 0.232 936 S C 2.433 177.035 174.600 0.003 0.000 1.041 936 S CA 1.663 59.859 58.200 -0.006 0.000 1.026 936 S CB -0.349 62.876 63.200 0.041 0.000 0.845 936 S HN 0.369 nan 8.310 nan 0.000 0.465 937 I N 0.832 121.413 120.570 0.018 0.000 2.315 937 I HA -0.155 4.030 4.170 0.025 0.000 0.248 937 I C 2.586 178.722 176.117 0.032 0.000 1.117 937 I CA 0.846 62.162 61.300 0.025 0.000 1.404 937 I CB -0.482 37.537 38.000 0.032 0.000 1.071 937 I HN 0.435 nan 8.210 nan 0.000 0.419 938 C N 0.043 119.358 119.300 0.024 0.000 2.453 938 C HA -0.112 4.363 4.460 0.025 0.000 0.277 938 C C 2.701 177.717 174.990 0.043 0.000 1.262 938 C CA 0.140 59.178 59.018 0.033 0.000 1.718 938 C CB -0.955 26.790 27.740 0.009 0.000 2.031 938 C HN 0.503 nan 8.230 nan 0.000 0.480 939 L N 1.596 122.826 121.223 0.013 0.000 2.043 939 L HA -0.157 4.198 4.340 0.025 0.000 0.212 939 L C 2.435 179.341 176.870 0.060 0.000 1.075 939 L CA 2.129 56.981 54.840 0.021 0.000 0.752 939 L CB -1.032 41.016 42.059 -0.019 0.000 0.891 939 L HN 0.259 nan 8.230 nan 0.000 0.432 940 S N -1.298 114.427 115.700 0.042 0.000 2.387 940 S HA -0.124 4.361 4.470 0.025 0.000 0.226 940 S C 1.829 176.509 174.600 0.134 0.000 1.026 940 S CA 1.439 59.668 58.200 0.048 0.000 0.972 940 S CB -0.205 62.997 63.200 0.003 0.000 0.814 940 S HN 0.402 nan 8.310 nan 0.000 0.477 941 M N 2.141 121.813 119.600 0.119 0.000 2.081 941 M HA -0.053 4.442 4.480 0.025 0.000 0.261 941 M C 2.341 178.812 176.300 0.286 0.000 1.075 941 M CA 1.561 56.947 55.300 0.143 0.000 1.133 941 M CB -0.985 31.689 32.600 0.123 0.000 1.330 941 M HN 0.373 nan 8.290 nan 0.000 0.414 942 S N 0.007 115.887 115.700 0.301 0.000 2.365 942 S HA -0.224 4.261 4.470 0.025 0.000 0.225 942 S C 2.064 176.862 174.600 0.330 0.000 1.039 942 S CA 1.732 60.141 58.200 0.347 0.000 1.033 942 S CB -1.381 61.929 63.200 0.184 0.000 0.887 942 S HN 0.531 nan 8.310 nan 0.000 0.447 943 L N 1.222 122.623 121.223 0.296 0.000 2.081 943 L HA -0.203 4.152 4.340 0.025 0.000 0.212 943 L C 2.993 180.086 176.870 0.372 0.000 1.080 943 L CA 1.995 57.074 54.840 0.398 0.000 0.754 943 L CB -0.727 41.660 42.059 0.546 0.000 0.893 943 L HN 0.562 nan 8.230 nan 0.000 0.433 944 H N -0.790 118.418 119.070 0.230 0.000 2.457 944 H HA -0.168 4.403 4.556 0.025 0.000 0.294 944 H C 2.029 177.278 175.328 -0.132 0.000 1.064 944 H CA 1.528 57.590 56.048 0.023 0.000 1.330 944 H CB 0.180 29.914 29.762 -0.047 0.000 1.395 944 H HN 0.271 nan 8.280 nan 0.000 0.541 945 F N -0.100 119.934 119.950 0.140 0.000 2.335 945 F HA -0.080 4.462 4.527 0.025 0.000 0.296 945 F C 2.337 178.206 175.800 0.115 0.000 1.091 945 F CA 0.043 58.142 58.000 0.166 0.000 1.399 945 F CB -0.378 38.776 39.000 0.257 0.000 1.067 945 F HN 0.120 nan 8.300 nan 0.000 0.520 946 L N 0.217 121.573 121.223 0.221 0.000 2.129 946 L HA -0.195 4.160 4.340 0.025 0.000 0.212 946 L C 1.871 178.734 176.870 -0.012 0.000 1.087 946 L CA 1.754 56.667 54.840 0.121 0.000 0.757 946 L CB -0.847 41.273 42.059 0.103 0.000 0.896 946 L HN 0.107 nan 8.230 nan 0.000 0.434 947 I N -1.825 118.622 120.570 -0.204 0.000 3.684 947 I HA -0.134 4.051 4.170 0.025 0.000 0.304 947 I C 1.659 177.631 176.117 -0.243 0.000 1.278 947 I CA 0.359 61.474 61.300 -0.307 0.000 1.272 947 I CB -0.069 37.504 38.000 -0.712 0.000 1.029 947 I HN 0.127 nan 8.210 nan 0.000 0.458 948 L N -1.745 119.356 121.223 -0.204 0.000 2.575 948 L HA 0.127 4.482 4.340 0.025 0.000 0.228 948 L C 1.582 178.219 176.870 -0.387 0.000 1.075 948 L CA 0.588 55.246 54.840 -0.303 0.000 0.867 948 L CB 0.044 41.909 42.059 -0.323 0.000 1.097 948 L HN 0.199 nan 8.230 nan 0.000 0.485 949 Y N -1.604 118.721 120.300 0.042 0.000 2.846 949 Y HA 0.195 4.760 4.550 0.025 0.000 0.258 949 Y C 1.046 176.960 175.900 0.024 0.000 1.077 949 Y CA -0.400 57.729 58.100 0.049 0.000 1.270 949 Y CB 0.631 39.137 38.460 0.077 0.000 1.476 949 Y HN -0.372 nan 8.280 nan 0.000 0.460 950 V N 3.426 123.447 119.914 0.177 0.000 2.475 950 V HA -0.151 3.984 4.120 0.025 0.000 0.292 950 V C 0.385 176.514 176.094 0.059 0.000 1.003 950 V CA 0.437 62.797 62.300 0.100 0.000 1.120 950 V CB 0.260 32.129 31.823 0.078 0.000 0.937 950 V HN 0.401 nan 8.190 nan 0.000 0.476 951 D N 6.753 127.184 120.400 0.052 0.000 2.204 951 D HA -0.176 4.479 4.640 0.025 0.000 0.189 951 D C -0.261 176.045 176.300 0.011 0.000 1.006 951 D CA 2.112 56.131 54.000 0.032 0.000 0.855 951 D CB -1.179 39.637 40.800 0.027 0.000 0.946 951 D HN 0.536 nan 8.370 nan 0.000 0.448 952 P HA -0.012 nan 4.420 nan 0.000 0.219 952 P C 1.693 178.979 177.300 -0.022 0.000 1.150 952 P CA 0.618 63.712 63.100 -0.011 0.000 0.814 952 P CB -0.025 31.669 31.700 -0.010 0.000 0.787 953 L N -0.590 120.633 121.223 -0.000 0.000 2.081 953 L HA -0.123 4.232 4.340 0.025 0.000 0.212 953 L C -0.632 176.254 176.870 0.026 0.000 1.080 953 L CA 1.695 56.553 54.840 0.031 0.000 0.754 953 L CB -2.256 39.835 42.059 0.053 0.000 0.893 953 L HN 0.059 nan 8.230 nan 0.000 0.433 954 P HA -0.090 nan 4.420 nan 0.000 0.252 954 P C 1.285 178.555 177.300 -0.050 0.000 1.265 954 P CA 0.952 64.025 63.100 -0.045 0.000 0.775 954 P CB 0.161 31.807 31.700 -0.091 0.000 1.128 955 M N -0.621 118.942 119.600 -0.061 0.000 2.657 955 M HA 0.043 4.538 4.480 0.025 0.000 0.262 955 M C 1.676 177.903 176.300 -0.123 0.000 1.213 955 M CA 0.974 56.229 55.300 -0.075 0.000 1.182 955 M CB -0.105 32.456 32.600 -0.065 0.000 1.303 955 M HN -0.132 nan 8.290 nan 0.000 0.501 956 I N -1.558 118.880 120.570 -0.220 0.000 2.142 956 I HA -0.221 3.963 4.170 0.025 0.000 0.240 956 I C 1.345 177.229 176.117 -0.388 0.000 1.078 956 I CA 1.774 62.835 61.300 -0.398 0.000 1.343 956 I CB -1.228 36.355 38.000 -0.695 0.000 1.046 956 I HN 0.099 nan 8.210 nan 0.000 0.405 957 F N 2.420 122.312 119.950 -0.096 0.000 2.797 957 F HA 0.176 4.718 4.527 0.024 0.000 0.302 957 F C 0.695 176.435 175.800 -0.100 0.000 1.130 957 F CA -0.266 57.672 58.000 -0.103 0.000 1.387 957 F CB -0.249 38.647 39.000 -0.173 0.000 1.107 957 F HN 0.146 nan 8.300 nan 0.000 0.577 958 K N 0.668 121.076 120.400 0.014 0.000 4.838 958 K HA -0.219 4.116 4.320 0.025 0.000 0.300 958 K C -1.330 175.240 176.600 -0.050 0.000 0.861 958 K CA 0.375 56.648 56.287 -0.023 0.000 0.929 958 K CB -1.964 30.525 32.500 -0.019 0.000 1.772 958 K HN 0.418 nan 8.250 nan 0.000 0.422 959 L N 0.971 122.146 121.223 -0.082 0.000 2.230 959 L HA 0.652 5.007 4.340 0.025 0.000 0.255 959 L C -0.301 176.459 176.870 -0.184 0.000 1.039 959 L CA -1.242 53.506 54.840 -0.153 0.000 0.846 959 L CB 2.023 43.973 42.059 -0.182 0.000 1.419 959 L HN 0.463 nan 8.230 nan 0.000 0.435 960 K N 0.630 120.884 120.400 -0.244 0.000 2.535 960 K HA 0.659 4.994 4.320 0.025 0.000 0.251 960 K C -1.206 175.224 176.600 -0.284 0.000 0.942 960 K CA -0.577 55.565 56.287 -0.242 0.000 0.798 960 K CB 2.056 34.424 32.500 -0.220 0.000 1.267 960 K HN 0.688 nan 8.250 nan 0.000 0.434 961 A N 4.421 127.053 122.820 -0.313 0.000 2.520 961 A HA 0.243 4.578 4.320 0.025 0.000 0.235 961 A C -0.170 177.341 177.584 -0.123 0.000 1.065 961 A CA 0.063 51.918 52.037 -0.303 0.000 0.764 961 A CB 0.005 18.611 19.000 -0.658 0.000 1.002 961 A HN 0.665 nan 8.150 nan 0.000 0.502 962 L N 1.364 122.571 121.223 -0.026 0.000 2.360 962 L HA 0.302 4.657 4.340 0.025 0.000 0.271 962 L C 0.245 177.185 176.870 0.116 0.000 1.057 962 L CA -1.020 53.739 54.840 -0.135 0.000 0.803 962 L CB 0.976 42.668 42.059 -0.612 0.000 1.207 962 L HN 0.660 nan 8.230 nan 0.000 0.445 963 D N 0.667 121.113 120.400 0.077 0.000 2.400 963 D HA -0.013 4.642 4.640 0.025 0.000 0.238 963 D C 0.907 177.355 176.300 0.247 0.000 1.157 963 D CA -0.200 53.894 54.000 0.157 0.000 0.889 963 D CB 1.071 41.947 40.800 0.128 0.000 1.199 963 D HN 0.261 nan 8.370 nan 0.000 0.436 964 L N 2.833 124.205 121.223 0.249 0.000 2.081 964 L HA -0.189 4.166 4.340 0.025 0.000 0.212 964 L C 2.150 179.167 176.870 0.246 0.000 1.080 964 L CA 1.836 56.837 54.840 0.267 0.000 0.754 964 L CB -1.370 40.792 42.059 0.171 0.000 0.893 964 L HN 0.485 nan 8.230 nan 0.000 0.433 965 T N -0.769 113.902 114.554 0.194 0.000 2.746 965 T HA -0.189 4.176 4.350 0.025 0.000 0.267 965 T C 1.819 176.642 174.700 0.205 0.000 1.039 965 T CA 1.083 63.294 62.100 0.185 0.000 1.142 965 T CB -0.045 68.927 68.868 0.172 0.000 0.866 965 T HN 0.392 nan 8.240 nan 0.000 0.444 966 Q N 0.072 119.981 119.800 0.183 0.000 2.002 966 Q HA -0.137 4.218 4.340 0.025 0.000 0.204 966 Q C 2.217 178.249 176.000 0.053 0.000 0.988 966 Q CA 1.619 57.484 55.803 0.104 0.000 0.843 966 Q CB -0.617 28.092 28.738 -0.048 0.000 0.908 966 Q HN 0.659 nan 8.270 nan 0.000 0.420 967 W N 0.872 122.228 121.300 0.093 0.000 2.335 967 W HA -0.187 4.488 4.660 0.025 0.000 0.311 967 W C 2.204 178.749 176.519 0.044 0.000 1.213 967 W CA 0.370 57.761 57.345 0.076 0.000 1.274 967 W CB -0.550 28.982 29.460 0.119 0.000 1.148 967 W HN 0.150 nan 8.180 nan 0.000 0.498 968 L N -0.223 121.173 121.223 0.288 0.000 2.353 968 L HA -0.180 4.175 4.340 0.025 0.000 0.220 968 L C 2.186 179.103 176.870 0.080 0.000 1.133 968 L CA 1.424 56.365 54.840 0.169 0.000 0.798 968 L CB -0.487 41.661 42.059 0.147 0.000 0.922 968 L HN 0.034 nan 8.230 nan 0.000 0.445 969 M N -2.254 117.369 119.600 0.038 0.000 2.299 969 M HA -0.022 4.473 4.480 0.025 0.000 0.264 969 M C 2.037 178.249 176.300 -0.147 0.000 1.095 969 M CA 1.389 56.608 55.300 -0.134 0.000 1.165 969 M CB -0.236 32.185 32.600 -0.299 0.000 1.349 969 M HN -0.012 nan 8.290 nan 0.000 0.446 970 V N 0.851 120.720 119.914 -0.075 0.000 2.317 970 V HA -0.325 3.810 4.120 0.025 0.000 0.251 970 V C 2.329 178.436 176.094 0.021 0.000 1.065 970 V CA 2.101 64.376 62.300 -0.042 0.000 1.049 970 V CB -1.195 30.636 31.823 0.014 0.000 0.651 970 V HN 0.508 nan 8.190 nan 0.000 0.450 971 L N -0.848 120.425 121.223 0.084 0.000 2.217 971 L HA -0.100 4.255 4.340 0.025 0.000 0.211 971 L C 2.464 179.353 176.870 0.031 0.000 1.107 971 L CA 1.444 56.334 54.840 0.082 0.000 0.783 971 L CB -0.511 41.619 42.059 0.118 0.000 0.919 971 L HN 0.216 nan 8.230 nan 0.000 0.442 972 K N 0.230 120.624 120.400 -0.011 0.000 2.288 972 K HA -0.051 4.284 4.320 0.025 0.000 0.201 972 K C 1.865 178.436 176.600 -0.049 0.000 1.048 972 K CA 0.775 57.040 56.287 -0.037 0.000 0.956 972 K CB 0.175 32.626 32.500 -0.082 0.000 0.746 972 K HN 0.355 nan 8.250 nan 0.000 0.461 973 I N -1.769 118.761 120.570 -0.066 0.000 4.070 973 I HA 0.033 4.218 4.170 0.025 0.000 0.328 973 I C 0.851 176.998 176.117 0.051 0.000 1.298 973 I CA 0.445 61.706 61.300 -0.066 0.000 1.173 973 I CB 0.506 38.398 38.000 -0.179 0.000 1.051 973 I HN -0.068 nan 8.210 nan 0.000 0.409 974 S N 0.934 116.673 115.700 0.065 0.000 2.460 974 S HA 0.199 4.684 4.470 0.025 0.000 0.226 974 S C 1.780 176.442 174.600 0.103 0.000 1.057 974 S CA 0.116 58.385 58.200 0.115 0.000 0.948 974 S CB 0.045 63.290 63.200 0.074 0.000 0.822 974 S HN 0.289 nan 8.310 nan 0.000 0.512 975 L N 2.024 123.286 121.223 0.066 0.000 2.079 975 L HA -0.057 4.298 4.340 0.025 0.000 0.210 975 L C -0.837 176.047 176.870 0.022 0.000 1.081 975 L CA 1.841 56.705 54.840 0.040 0.000 0.752 975 L CB -2.506 39.574 42.059 0.035 0.000 0.896 975 L HN 0.195 nan 8.230 nan 0.000 0.433 976 P HA -0.154 nan 4.420 nan 0.000 0.217 976 P C 2.101 179.316 177.300 -0.142 0.000 1.148 976 P CA 0.876 63.979 63.100 0.006 0.000 0.828 976 P CB 0.063 31.829 31.700 0.109 0.000 0.783 977 V N -0.244 119.537 119.914 -0.222 0.000 2.280 977 V HA -0.328 3.807 4.120 0.025 0.000 0.258 977 V C 2.152 178.101 176.094 -0.242 0.000 1.081 977 V CA 1.955 63.999 62.300 -0.427 0.000 1.070 977 V CB -0.955 30.750 31.823 -0.195 0.000 0.666 977 V HN 0.041 nan 8.190 nan 0.000 0.450 978 I N 0.037 120.537 120.570 -0.116 0.000 2.127 978 I HA -0.195 3.989 4.170 0.025 0.000 0.241 978 I C 2.472 178.551 176.117 -0.063 0.000 1.075 978 I CA 1.854 63.114 61.300 -0.068 0.000 1.334 978 I CB -0.938 37.043 38.000 -0.031 0.000 1.040 978 I HN 0.442 nan 8.210 nan 0.000 0.405 979 G N 0.348 109.111 108.800 -0.062 0.000 2.586 979 G HA2 -0.168 3.807 3.960 0.025 0.000 0.215 979 G HA3 -0.168 3.807 3.960 0.025 0.000 0.215 979 G C 1.499 176.365 174.900 -0.057 0.000 1.128 979 G CA 0.345 45.420 45.100 -0.042 0.000 0.774 979 G HN 0.254 nan 8.290 nan 0.000 0.543 980 L N -0.026 121.124 121.223 -0.121 0.000 2.130 980 L HA 0.267 4.622 4.340 0.025 0.000 0.200 980 L C 2.041 178.864 176.870 -0.079 0.000 1.075 980 L CA 1.803 56.559 54.840 -0.141 0.000 0.768 980 L CB -0.469 41.394 42.059 -0.327 0.000 0.933 980 L HN 0.045 nan 8.230 nan 0.000 0.451 981 D N -0.443 119.904 120.400 -0.089 0.000 2.182 981 D HA -0.217 4.438 4.640 0.025 0.000 0.201 981 D C 2.037 178.355 176.300 0.030 0.000 0.986 981 D CA 0.968 54.947 54.000 -0.036 0.000 0.847 981 D CB 0.227 41.006 40.800 -0.034 0.000 0.942 981 D HN 0.399 nan 8.370 nan 0.000 0.467 982 E N -0.163 120.052 120.200 0.026 0.000 2.051 982 E HA -0.067 4.298 4.350 0.025 0.000 0.192 982 E C 2.166 178.847 176.600 0.134 0.000 0.991 982 E CA 0.624 57.066 56.400 0.071 0.000 0.799 982 E CB -0.171 29.554 29.700 0.042 0.000 0.748 982 E HN 0.352 nan 8.360 nan 0.000 0.449 983 I N 0.254 120.888 120.570 0.108 0.000 2.361 983 I HA -0.255 3.930 4.170 0.025 0.000 0.251 983 I C 1.663 177.937 176.117 0.263 0.000 1.133 983 I CA 0.821 62.218 61.300 0.160 0.000 1.413 983 I CB -0.140 37.920 38.000 0.101 0.000 1.073 983 I HN 0.156 nan 8.210 nan 0.000 0.424 984 L N -0.123 121.235 121.223 0.226 0.000 2.478 984 L HA -0.082 4.273 4.340 0.025 0.000 0.223 984 L C 2.150 179.259 176.870 0.398 0.000 1.140 984 L CA 0.848 55.888 54.840 0.333 0.000 0.842 984 L CB -0.396 41.721 42.059 0.097 0.000 0.953 984 L HN 0.125 nan 8.230 nan 0.000 0.452 985 K N -0.932 119.631 120.400 0.272 0.000 2.348 985 K HA 0.048 4.383 4.320 0.025 0.000 0.194 985 K C 1.830 178.550 176.600 0.199 0.000 1.052 985 K CA 0.259 56.678 56.287 0.220 0.000 1.004 985 K CB 0.245 32.828 32.500 0.139 0.000 0.873 985 K HN 0.046 nan 8.250 nan 0.000 0.523 986 F N 1.820 121.838 119.950 0.113 0.000 2.084 986 F HA -0.105 4.437 4.527 0.024 0.000 0.296 986 F C 1.952 177.814 175.800 0.104 0.000 1.111 986 F CA 1.126 59.181 58.000 0.091 0.000 1.224 986 F CB -0.100 38.956 39.000 0.092 0.000 0.991 986 F HN -0.137 nan 8.300 nan 0.000 0.471 987 I N 0.020 120.800 120.570 0.350 0.000 2.264 987 I HA -0.287 3.898 4.170 0.025 0.000 0.248 987 I C 2.341 178.431 176.117 -0.045 0.000 1.111 987 I CA 1.451 62.886 61.300 0.225 0.000 1.382 987 I CB -0.448 37.748 38.000 0.327 0.000 1.060 987 I HN 0.292 nan 8.210 nan 0.000 0.418 988 A N 1.745 124.596 122.820 0.051 0.000 1.832 988 A HA -0.234 4.101 4.320 0.025 0.000 0.214 988 A C 2.298 179.794 177.584 -0.147 0.000 1.204 988 A CA 1.755 53.747 52.037 -0.076 0.000 0.606 988 A CB -0.831 18.317 19.000 0.247 0.000 0.849 988 A HN 0.572 nan 8.150 nan 0.000 0.445 989 R N -0.464 119.962 120.500 -0.123 0.000 2.170 989 R HA -0.125 4.230 4.340 0.025 0.000 0.242 989 R C 1.207 177.330 176.300 -0.295 0.000 1.145 989 R CA 1.890 57.880 56.100 -0.184 0.000 0.984 989 R CB -0.372 29.829 30.300 -0.165 0.000 0.869 989 R HN 0.540 nan 8.270 nan 0.000 0.455 990 N N -0.165 118.286 118.700 -0.414 0.000 2.690 990 N HA 0.009 4.764 4.740 0.025 0.000 0.187 990 N C 0.147 175.429 175.510 -0.380 0.000 1.295 990 N CA -0.058 52.685 53.050 -0.512 0.000 1.100 990 N CB -0.560 37.394 38.487 -0.888 0.000 1.336 990 N HN 0.010 nan 8.380 nan 0.000 0.458 991 Y N 1.793 121.949 120.300 -0.239 0.000 3.058 991 Y HA 0.011 4.577 4.550 0.026 0.000 0.376 991 Y C 1.061 176.833 175.900 -0.214 0.000 1.037 991 Y CA 0.349 58.359 58.100 -0.149 0.000 1.707 991 Y CB -0.321 38.113 38.460 -0.043 0.000 1.848 991 Y HN 0.251 nan 8.280 nan 0.000 0.444 992 L N -0.930 120.189 121.223 -0.172 0.000 2.604 992 L HA 0.388 4.743 4.340 0.025 0.000 0.150 992 L C -0.546 176.185 176.870 -0.232 0.000 1.292 992 L CA 0.581 55.248 54.840 -0.287 0.000 0.977 992 L CB 0.642 42.399 42.059 -0.504 0.000 1.943 992 L HN -0.070 nan 8.230 nan 0.000 0.508 993 E N 0.187 120.255 120.200 -0.220 0.000 2.649 993 E HA 0.577 4.942 4.350 0.025 0.000 0.310 993 E C -0.899 175.614 176.600 -0.144 0.000 1.036 993 E CA 0.283 56.587 56.400 -0.160 0.000 0.772 993 E CB 1.195 30.813 29.700 -0.137 0.000 1.513 993 E HN 0.575 nan 8.360 nan 0.000 0.384 994 G N 0.000 108.714 108.800 -0.144 0.000 5.446 994 G HA2 0.000 3.975 3.960 0.025 0.000 0.244 994 G HA3 0.000 3.975 3.960 0.025 0.000 0.244 994 G CA 0.000 45.018 45.100 -0.136 0.000 0.502 994 G HN 0.000 nan 8.290 nan 0.000 0.925