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 2zxo_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRDRVRWRVL SLPPLAQWRE VMAALEVGPE AALAYWHRGF RRKEDLDPPL DATA SEQUENCE ALLPLKGLRE AAALLEEALR QGKRIRVHGD YDADGLTGTA ILVRGLAALG DATA SEQUENCE ADVHPFIPXX XXXXXXXXME RVPEHLEASD LFLTVDCGIT NHAELRELLE DATA SEQUENCE NGVEVIVTDH HTPGKTPPPG LVVHPALTPD LKEKPTGAGV AFLLLWALHE DATA SEQUENCE RLGLPPPLEY ADLAAVGTIA DVAPLWGWNR ALVKEGLARI PASSWVGLRL DATA SEQUENCE LAEAVGYTGK AVEVAFRIAP RINAASRLGE AEKALRLLLT DDAAEAQALV DATA SEQUENCE GELHRLNARR QTLEEAMLRK LLPQADPEAK AIVLLDPEGH PGVMGIVASR DATA SEQUENCE ILEATLRPVF LVAQGKGTVR SLAPISAVEA LRSAEDLLLR YGGHKEAAGF DATA SEQUENCE AMDEALFPAF KARVEAYAAR FPDPVREVAL LDLLPEPGLL PQVFRELALL DATA SEQUENCE EPYGEGNPEP LFLLFGAPEE ARRLGEGRHL AFRLKGVRVL AWKQGDLALP DATA SEQUENCE PEVEVAGLLS ENAWNGHLAY EVQAVDLRKP EALEGGIAPF AYPLPLLEAL DATA SEQUENCE ARARLGEGVY VPEDNPEGLD YAWKAGFRLL PPEEAGLWLG LPPRPVLGRR DATA SEQUENCE VEVALGREAR ARLSAPPVLH TPEARLKALV HRRLLFAYER RHPGLFSEAL DATA SEQUENCE LAYWEVNR 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 0.000 176.334 176.300 0.056 0.000 1.140 1 M CA 0.000 55.330 55.300 0.049 0.000 0.988 1 M CB 0.000 32.629 32.600 0.048 0.000 1.302 2 R N 1.406 121.938 120.500 0.054 0.000 2.788 2 R HA 0.364 4.704 4.340 0.000 0.000 0.264 2 R C 0.270 176.599 176.300 0.049 0.000 1.267 2 R CA 0.873 57.010 56.100 0.062 0.000 1.213 2 R CB -0.581 29.755 30.300 0.059 0.000 1.256 2 R HN 0.512 nan 8.270 nan 0.000 0.556 3 D N 0.071 120.498 120.400 0.045 0.000 2.497 3 D HA 0.102 4.742 4.640 0.000 0.000 0.256 3 D C 0.283 176.606 176.300 0.038 0.000 1.273 3 D CA -0.016 54.002 54.000 0.031 0.000 0.812 3 D CB 0.482 41.295 40.800 0.022 0.000 1.190 3 D HN 0.213 nan 8.370 nan 0.000 0.524 4 R N 0.359 120.891 120.500 0.053 0.000 2.652 4 R HA 0.309 4.649 4.340 0.000 0.000 0.372 4 R C -0.546 175.802 176.300 0.080 0.000 1.104 4 R CA -0.121 56.014 56.100 0.059 0.000 1.072 4 R CB 1.813 32.146 30.300 0.055 0.000 1.367 4 R HN -0.113 nan 8.270 nan 0.000 0.577 5 V N 1.377 121.351 119.914 0.100 0.000 2.370 5 V HA 0.369 4.489 4.120 0.000 0.000 0.283 5 V C -0.004 176.207 176.094 0.194 0.000 1.023 5 V CA -0.666 61.729 62.300 0.158 0.000 0.857 5 V CB 1.729 33.677 31.823 0.208 0.000 0.985 5 V HN 0.202 nan 8.190 nan 0.000 0.443 6 R N 3.416 124.048 120.500 0.221 0.000 2.514 6 R HA 0.484 4.824 4.340 0.000 0.000 0.301 6 R C -1.581 174.967 176.300 0.412 0.000 0.962 6 R CA -0.438 55.807 56.100 0.242 0.000 0.882 6 R CB 1.612 32.003 30.300 0.151 0.000 1.143 6 R HN 0.572 nan 8.270 nan 0.000 0.452 7 W N 3.217 124.550 121.300 0.055 0.000 2.349 7 W HA 0.420 5.080 4.660 -0.000 0.000 0.309 7 W C 0.193 176.742 176.519 0.051 0.000 1.083 7 W CA -0.685 56.692 57.345 0.053 0.000 1.224 7 W CB 0.828 30.331 29.460 0.072 0.000 1.256 7 W HN 0.280 nan 8.180 nan 0.000 0.461 8 R N 2.669 123.294 120.500 0.208 0.000 2.494 8 R HA 0.663 5.003 4.340 0.000 0.000 0.305 8 R C -1.341 174.995 176.300 0.062 0.000 0.959 8 R CA -0.573 55.601 56.100 0.123 0.000 0.864 8 R CB 1.466 31.808 30.300 0.070 0.000 1.159 8 R HN 0.271 nan 8.270 nan 0.000 0.446 9 V N 6.060 126.008 119.914 0.057 0.000 2.498 9 V HA 0.231 4.351 4.120 0.000 0.000 0.279 9 V C 0.588 176.677 176.094 -0.009 0.000 1.048 9 V CA -0.601 61.706 62.300 0.012 0.000 0.967 9 V CB 1.363 33.194 31.823 0.013 0.000 0.988 9 V HN 0.682 nan 8.190 nan 0.000 0.473 10 L N 4.224 125.421 121.223 -0.045 0.000 2.417 10 L HA 0.281 4.621 4.340 0.000 0.000 0.268 10 L C 1.050 177.956 176.870 0.061 0.000 1.158 10 L CA -0.049 54.753 54.840 -0.063 0.000 0.819 10 L CB 1.153 43.064 42.059 -0.245 0.000 1.112 10 L HN 0.877 nan 8.230 nan 0.000 0.458 11 S N 2.909 118.672 115.700 0.104 0.000 2.569 11 S HA 0.291 4.761 4.470 0.000 0.000 0.274 11 S C -0.246 174.358 174.600 0.006 0.000 1.353 11 S CA -0.682 57.572 58.200 0.090 0.000 1.023 11 S CB 0.522 63.795 63.200 0.121 0.000 0.876 11 S HN 0.414 nan 8.310 nan 0.000 0.540 12 L N 2.439 123.579 121.223 -0.138 0.000 2.357 12 L HA 0.516 4.856 4.340 0.000 0.000 0.273 12 L C -1.738 174.778 176.870 -0.589 0.000 1.080 12 L CA -2.122 52.480 54.840 -0.398 0.000 0.803 12 L CB 1.004 42.952 42.059 -0.185 0.000 1.174 12 L HN 0.598 nan 8.230 nan 0.000 0.443 13 P HA 0.394 nan 4.420 nan 0.000 0.281 13 P C -2.740 174.226 177.300 -0.557 0.000 1.281 13 P CA -2.201 60.152 63.100 -1.244 0.000 0.811 13 P CB 0.155 30.398 31.700 -2.429 0.000 1.154 14 P HA 0.081 nan 4.420 nan 0.000 0.267 14 P C 1.378 178.677 177.300 -0.001 0.000 1.205 14 P CA 0.018 63.056 63.100 -0.102 0.000 0.765 14 P CB 0.215 31.892 31.700 -0.039 0.000 0.828 15 L N 2.770 124.056 121.223 0.105 0.000 2.189 15 L HA -0.227 4.113 4.340 0.000 0.000 0.214 15 L C 1.976 178.908 176.870 0.103 0.000 1.097 15 L CA 2.233 57.168 54.840 0.158 0.000 0.764 15 L CB -1.480 40.629 42.059 0.083 0.000 0.900 15 L HN 0.421 nan 8.230 nan 0.000 0.436 16 A N -1.059 121.804 122.820 0.071 0.000 1.968 16 A HA -0.177 4.143 4.320 0.000 0.000 0.217 16 A C 2.176 179.815 177.584 0.092 0.000 1.169 16 A CA 0.875 52.951 52.037 0.065 0.000 0.638 16 A CB -0.183 18.849 19.000 0.053 0.000 0.812 16 A HN 0.487 nan 8.150 nan 0.000 0.446 17 Q N -1.917 117.940 119.800 0.095 0.000 2.137 17 Q HA -0.139 4.202 4.340 0.000 0.000 0.198 17 Q C 1.970 178.076 176.000 0.178 0.000 0.960 17 Q CA 0.922 56.809 55.803 0.139 0.000 0.847 17 Q CB -0.206 28.631 28.738 0.164 0.000 0.915 17 Q HN 0.857 nan 8.270 nan 0.000 0.448 18 W N 2.324 123.547 121.300 -0.129 0.000 2.333 18 W HA -0.164 4.496 4.660 0.000 0.000 0.316 18 W C 1.844 178.354 176.519 -0.016 0.000 1.215 18 W CA 1.469 58.742 57.345 -0.119 0.000 1.278 18 W CB -0.282 29.075 29.460 -0.172 0.000 1.154 18 W HN 0.062 nan 8.180 nan 0.000 0.486 19 R N -0.185 120.423 120.500 0.181 0.000 2.115 19 R HA -0.139 4.201 4.340 0.000 0.000 0.230 19 R C 2.092 178.450 176.300 0.097 0.000 1.111 19 R CA 1.576 57.714 56.100 0.064 0.000 0.976 19 R CB -0.504 29.798 30.300 0.004 0.000 0.870 19 R HN 0.282 nan 8.270 nan 0.000 0.445 20 E N 0.172 120.447 120.200 0.124 0.000 2.077 20 E HA -0.160 4.190 4.350 0.000 0.000 0.193 20 E C 2.023 178.701 176.600 0.131 0.000 0.989 20 E CA 1.432 57.900 56.400 0.112 0.000 0.800 20 E CB 0.047 29.819 29.700 0.119 0.000 0.746 20 E HN 0.117 nan 8.360 nan 0.000 0.452 21 V N 1.305 121.336 119.914 0.195 0.000 2.358 21 V HA -0.274 3.846 4.120 0.000 0.000 0.246 21 V C 2.323 178.523 176.094 0.176 0.000 1.047 21 V CA 1.591 64.017 62.300 0.210 0.000 1.035 21 V CB -0.427 31.589 31.823 0.322 0.000 0.658 21 V HN 0.308 nan 8.190 nan 0.000 0.452 22 M N -0.086 119.629 119.600 0.191 0.000 2.108 22 M HA -0.199 4.281 4.480 0.000 0.000 0.261 22 M C 2.391 178.737 176.300 0.077 0.000 1.066 22 M CA 2.236 57.618 55.300 0.137 0.000 1.107 22 M CB -0.630 32.020 32.600 0.083 0.000 1.356 22 M HN 0.438 nan 8.290 nan 0.000 0.406 23 A N 0.501 123.357 122.820 0.061 0.000 1.841 23 A HA 0.171 4.491 4.320 0.000 0.000 0.214 23 A C 1.493 179.096 177.584 0.031 0.000 1.195 23 A CA 1.323 53.382 52.037 0.037 0.000 0.611 23 A CB -0.951 18.069 19.000 0.033 0.000 0.835 23 A HN 0.460 nan 8.150 nan 0.000 0.443 24 A N -2.061 120.780 122.820 0.036 0.000 2.327 24 A HA 0.502 4.822 4.320 0.000 0.000 0.255 24 A C 1.109 178.693 177.584 -0.000 0.000 1.099 24 A CA 0.358 52.406 52.037 0.018 0.000 0.801 24 A CB -0.182 18.834 19.000 0.026 0.000 1.062 24 A HN 1.220 nan 8.150 nan 0.000 0.496 25 L N -1.947 119.252 121.223 -0.039 0.000 5.360 25 L HA -0.314 4.026 4.340 0.000 0.000 0.435 25 L C 0.599 177.444 176.870 -0.041 0.000 0.974 25 L CA 1.145 55.926 54.840 -0.097 0.000 1.285 25 L CB -2.229 39.721 42.059 -0.181 0.000 1.652 25 L HN 0.989 nan 8.230 nan 0.000 0.666 26 E N 0.037 120.238 120.200 0.001 0.000 2.160 26 E HA -0.113 4.237 4.350 0.000 0.000 0.180 26 E C -0.054 176.572 176.600 0.044 0.000 1.452 26 E CA 0.790 57.202 56.400 0.020 0.000 0.683 26 E CB -1.208 28.498 29.700 0.010 0.000 1.072 26 E HN 0.603 nan 8.360 nan 0.000 0.332 27 V N -3.093 116.869 119.914 0.079 0.000 3.182 27 V HA 0.864 4.984 4.120 0.000 0.000 0.308 27 V C 0.854 177.018 176.094 0.117 0.000 1.240 27 V CA -0.538 61.833 62.300 0.118 0.000 1.063 27 V CB 1.891 33.845 31.823 0.217 0.000 1.076 27 V HN 0.215 nan 8.190 nan 0.000 0.446 28 G N 0.104 108.973 108.800 0.114 0.000 2.653 28 G HA2 0.485 4.445 3.960 0.000 0.000 0.265 28 G HA3 0.485 4.445 3.960 0.000 0.000 0.265 28 G C -1.179 173.811 174.900 0.151 0.000 1.237 28 G CA -0.454 44.702 45.100 0.093 0.000 0.946 28 G HN 0.741 nan 8.290 nan 0.000 0.522 29 P HA -0.055 nan 4.420 nan 0.000 0.219 29 P C 0.870 178.446 177.300 0.460 0.000 1.150 29 P CA 1.213 64.454 63.100 0.234 0.000 0.814 29 P CB 0.362 32.011 31.700 -0.085 0.000 0.787 30 E N 1.062 121.442 120.200 0.300 0.000 2.046 30 E HA -0.050 4.300 4.350 0.000 0.000 0.190 30 E C 2.409 179.146 176.600 0.229 0.000 0.982 30 E CA 1.504 58.089 56.400 0.308 0.000 0.800 30 E CB -1.430 28.462 29.700 0.319 0.000 0.756 30 E HN 0.191 nan 8.360 nan 0.000 0.449 31 A N 1.265 124.194 122.820 0.182 0.000 1.933 31 A HA -0.031 4.289 4.320 0.000 0.000 0.218 31 A C 2.385 180.031 177.584 0.103 0.000 1.175 31 A CA 1.774 53.833 52.037 0.037 0.000 0.628 31 A CB -0.890 18.169 19.000 0.098 0.000 0.814 31 A HN 0.274 nan 8.150 nan 0.000 0.444 32 A N -0.466 122.559 122.820 0.341 0.000 1.972 32 A HA -0.041 4.279 4.320 0.000 0.000 0.219 32 A C 2.172 179.931 177.584 0.293 0.000 1.169 32 A CA 1.410 53.719 52.037 0.454 0.000 0.635 32 A CB -0.522 18.794 19.000 0.528 0.000 0.810 32 A HN 0.496 nan 8.150 nan 0.000 0.446 33 L N -0.868 120.447 121.223 0.154 0.000 1.994 33 L HA -0.208 4.132 4.340 0.000 0.000 0.208 33 L C 3.105 179.973 176.870 -0.003 0.000 1.071 33 L CA 1.297 56.053 54.840 -0.139 0.000 0.745 33 L CB -0.455 41.535 42.059 -0.114 0.000 0.892 33 L HN 0.444 nan 8.230 nan 0.000 0.431 34 A N -0.959 121.870 122.820 0.016 0.000 1.908 34 A HA -0.271 4.049 4.320 0.000 0.000 0.218 34 A C 1.985 179.617 177.584 0.080 0.000 1.181 34 A CA 1.655 53.693 52.037 0.002 0.000 0.627 34 A CB -0.957 17.938 19.000 -0.175 0.000 0.818 34 A HN 0.436 nan 8.150 nan 0.000 0.445 35 Y N -2.254 118.145 120.300 0.164 0.000 2.181 35 Y HA -0.202 4.348 4.550 0.000 0.000 0.288 35 Y C 2.163 178.215 175.900 0.254 0.000 1.146 35 Y CA 0.887 59.117 58.100 0.217 0.000 1.164 35 Y CB -0.870 37.688 38.460 0.165 0.000 0.982 35 Y HN 0.629 nan 8.280 nan 0.000 0.515 36 W N -0.089 121.296 121.300 0.142 0.000 2.402 36 W HA -0.176 4.484 4.660 0.000 0.000 0.286 36 W C 2.274 178.757 176.519 -0.060 0.000 1.221 36 W CA 1.890 59.221 57.345 -0.024 0.000 1.257 36 W CB -0.298 29.025 29.460 -0.229 0.000 1.120 36 W HN 0.059 nan 8.180 nan 0.000 0.551 37 H N -0.039 119.133 119.070 0.169 0.000 2.462 37 H HA 0.066 4.622 4.556 0.000 0.000 0.292 37 H C 1.869 177.134 175.328 -0.106 0.000 1.049 37 H CA 1.167 57.212 56.048 -0.004 0.000 1.334 37 H CB 0.057 29.870 29.762 0.086 0.000 1.404 37 H HN 0.041 nan 8.280 nan 0.000 0.544 38 R N -0.264 120.330 120.500 0.156 0.000 2.310 38 R HA 0.125 4.465 4.340 0.000 0.000 0.202 38 R C 1.097 177.300 176.300 -0.162 0.000 0.933 38 R CA 0.542 56.723 56.100 0.135 0.000 1.054 38 R CB 0.011 30.630 30.300 0.532 0.000 0.985 38 R HN 0.445 nan 8.270 nan 0.000 0.489 39 G N 0.932 109.587 108.800 -0.243 0.000 2.157 39 G HA2 -0.265 3.695 3.960 0.000 0.000 0.248 39 G HA3 -0.265 3.695 3.960 0.000 0.000 0.248 39 G C -0.181 174.489 174.900 -0.383 0.000 0.979 39 G CA -0.333 44.514 45.100 -0.421 0.000 0.650 39 G HN 0.241 nan 8.290 nan 0.000 0.529 40 F N 0.295 120.218 119.950 -0.045 0.000 2.424 40 F HA 0.696 5.223 4.527 0.000 0.000 0.356 40 F C 1.524 177.315 175.800 -0.016 0.000 1.110 40 F CA -0.278 57.715 58.000 -0.012 0.000 1.161 40 F CB 1.327 40.358 39.000 0.052 0.000 1.115 40 F HN -0.013 nan 8.300 nan 0.000 0.507 41 R N 0.976 121.531 120.500 0.092 0.000 2.646 41 R HA 0.246 4.586 4.340 0.000 0.000 0.226 41 R C 0.083 176.417 176.300 0.056 0.000 0.928 41 R CA -0.352 55.798 56.100 0.082 0.000 1.010 41 R CB 0.679 31.008 30.300 0.049 0.000 1.516 41 R HN 0.481 nan 8.270 nan 0.000 0.621 42 R N 0.475 120.997 120.500 0.036 0.000 2.787 42 R HA 0.332 4.672 4.340 0.000 0.000 0.271 42 R C 0.304 176.615 176.300 0.017 0.000 0.993 42 R CA -0.721 55.393 56.100 0.023 0.000 0.993 42 R CB 1.181 31.491 30.300 0.017 0.000 1.155 42 R HN -0.148 nan 8.270 nan 0.000 0.486 43 K N 1.257 121.658 120.400 0.002 0.000 2.360 43 K HA -0.143 4.177 4.320 0.000 0.000 0.201 43 K C 0.896 177.503 176.600 0.012 0.000 1.046 43 K CA 1.190 57.468 56.287 -0.014 0.000 0.945 43 K CB 0.332 32.823 32.500 -0.014 0.000 0.750 43 K HN 0.449 nan 8.250 nan 0.000 0.464 44 E N 0.574 120.789 120.200 0.026 0.000 2.274 44 E HA -0.160 4.190 4.350 0.000 0.000 0.194 44 E C 1.065 177.704 176.600 0.064 0.000 0.996 44 E CA 0.810 57.232 56.400 0.037 0.000 0.840 44 E CB -0.080 29.637 29.700 0.027 0.000 0.772 44 E HN 0.374 nan 8.360 nan 0.000 0.491 45 D N 0.471 120.924 120.400 0.089 0.000 2.317 45 D HA 0.021 4.661 4.640 0.000 0.000 0.211 45 D C 1.894 178.432 176.300 0.396 0.000 0.966 45 D CA 0.289 54.379 54.000 0.149 0.000 0.876 45 D CB 0.344 41.195 40.800 0.084 0.000 0.927 45 D HN 0.198 nan 8.370 nan 0.000 0.519 46 L N -0.053 121.323 121.223 0.255 0.000 2.249 46 L HA 0.006 4.346 4.340 0.000 0.000 0.207 46 L C 0.153 177.082 176.870 0.098 0.000 1.090 46 L CA 0.843 55.768 54.840 0.143 0.000 0.802 46 L CB 0.250 42.270 42.059 -0.066 0.000 0.947 46 L HN -0.235 nan 8.230 nan 0.000 0.453 47 D N 0.178 120.624 120.400 0.078 0.000 2.502 47 D HA 0.171 4.811 4.640 0.000 0.000 0.301 47 D C -2.227 174.111 176.300 0.063 0.000 1.202 47 D CA -1.143 52.888 54.000 0.053 0.000 0.878 47 D CB 0.934 41.749 40.800 0.024 0.000 1.062 47 D HN 0.012 nan 8.370 nan 0.000 0.499 48 P HA 0.113 nan 4.420 nan 0.000 0.269 48 P C -2.537 174.805 177.300 0.070 0.000 1.217 48 P CA -1.041 62.106 63.100 0.078 0.000 0.783 48 P CB 0.003 31.759 31.700 0.093 0.000 0.898 49 P HA 0.147 nan 4.420 nan 0.000 0.280 49 P C -0.556 176.830 177.300 0.143 0.000 1.244 49 P CA -0.369 62.796 63.100 0.108 0.000 0.784 49 P CB 0.524 32.289 31.700 0.109 0.000 0.913 50 L N 3.513 124.834 121.223 0.163 0.000 2.334 50 L HA 0.555 4.895 4.340 0.000 0.000 0.286 50 L C -0.326 176.821 176.870 0.462 0.000 1.108 50 L CA -0.133 54.848 54.840 0.235 0.000 0.875 50 L CB -0.645 41.539 42.059 0.208 0.000 1.246 50 L HN 0.512 nan 8.230 nan 0.000 0.439 51 A N 4.198 127.262 122.820 0.407 0.000 2.435 51 A HA 0.652 4.972 4.320 0.000 0.000 0.296 51 A C -1.129 176.274 177.584 -0.302 0.000 1.147 51 A CA -0.818 51.289 52.037 0.116 0.000 0.775 51 A CB 0.960 20.007 19.000 0.078 0.000 1.340 51 A HN 0.575 nan 8.150 nan 0.000 0.427 52 L N 1.477 122.184 121.223 -0.860 0.000 2.454 52 L HA 0.281 4.621 4.340 0.000 0.000 0.284 52 L C -0.278 176.272 176.870 -0.533 0.000 1.139 52 L CA 0.155 54.376 54.840 -1.032 0.000 0.911 52 L CB -1.034 40.322 42.059 -1.171 0.000 1.262 52 L HN 0.528 nan 8.230 nan 0.000 0.453 53 L N 7.914 128.811 121.223 -0.544 0.000 2.559 53 L HA 0.118 4.458 4.340 0.000 0.000 0.274 53 L C -1.373 175.282 176.870 -0.359 0.000 1.205 53 L CA -1.039 53.520 54.840 -0.469 0.000 0.907 53 L CB 0.307 41.934 42.059 -0.721 0.000 1.153 53 L HN 0.556 nan 8.230 nan 0.000 0.490 54 P HA 0.115 nan 4.420 nan 0.000 0.226 54 P C -0.220 176.983 177.300 -0.161 0.000 1.783 54 P CA -0.170 62.817 63.100 -0.188 0.000 0.980 54 P CB -0.173 31.445 31.700 -0.136 0.000 1.967 55 L N 0.706 121.814 121.223 -0.191 0.000 2.483 55 L HA 0.121 4.461 4.340 0.000 0.000 0.276 55 L C 1.315 178.124 176.870 -0.103 0.000 1.213 55 L CA 0.060 54.812 54.840 -0.147 0.000 0.843 55 L CB 0.187 42.144 42.059 -0.170 0.000 1.107 55 L HN 0.106 nan 8.230 nan 0.000 0.487 56 K N 1.917 122.275 120.400 -0.070 0.000 2.383 56 K HA 0.160 4.480 4.320 0.000 0.000 0.286 56 K C 0.787 177.362 176.600 -0.042 0.000 1.051 56 K CA 0.956 57.215 56.287 -0.048 0.000 0.974 56 K CB 0.422 32.905 32.500 -0.029 0.000 0.968 56 K HN 0.846 nan 8.250 nan 0.000 0.475 57 G N 3.757 112.531 108.800 -0.043 0.000 2.232 57 G HA2 -0.289 3.671 3.960 0.000 0.000 0.226 57 G HA3 -0.289 3.671 3.960 0.000 0.000 0.226 57 G C 0.703 175.573 174.900 -0.050 0.000 0.996 57 G CA 0.196 45.274 45.100 -0.037 0.000 0.626 57 G HN 0.571 nan 8.290 nan 0.000 0.509 58 L N 1.262 122.443 121.223 -0.070 0.000 2.013 58 L HA 0.090 4.430 4.340 0.000 0.000 0.212 58 L C 2.841 179.670 176.870 -0.067 0.000 1.073 58 L CA 3.064 57.855 54.840 -0.083 0.000 0.753 58 L CB -0.517 41.470 42.059 -0.119 0.000 0.890 58 L HN 0.462 nan 8.230 nan 0.000 0.432 59 R N -0.806 119.657 120.500 -0.062 0.000 2.092 59 R HA -0.175 4.165 4.340 0.000 0.000 0.231 59 R C 2.224 178.502 176.300 -0.035 0.000 1.119 59 R CA 1.463 57.535 56.100 -0.048 0.000 0.970 59 R CB -0.428 29.845 30.300 -0.045 0.000 0.864 59 R HN 0.547 nan 8.270 nan 0.000 0.440 60 E N 0.934 121.114 120.200 -0.033 0.000 2.072 60 E HA -0.149 4.201 4.350 0.000 0.000 0.191 60 E C 1.960 178.545 176.600 -0.025 0.000 0.985 60 E CA 1.012 57.397 56.400 -0.025 0.000 0.801 60 E CB 0.001 29.688 29.700 -0.022 0.000 0.750 60 E HN 0.346 nan 8.360 nan 0.000 0.452 61 A N 1.103 123.904 122.820 -0.032 0.000 1.933 61 A HA -0.092 4.228 4.320 0.000 0.000 0.218 61 A C 2.345 179.910 177.584 -0.032 0.000 1.175 61 A CA 1.678 53.695 52.037 -0.033 0.000 0.628 61 A CB -0.641 18.333 19.000 -0.043 0.000 0.814 61 A HN 0.406 nan 8.150 nan 0.000 0.444 62 A N -0.174 122.626 122.820 -0.032 0.000 1.898 62 A HA 0.209 4.530 4.320 0.000 0.000 0.216 62 A C 2.486 180.060 177.584 -0.016 0.000 1.181 62 A CA 1.901 53.924 52.037 -0.023 0.000 0.620 62 A CB -0.928 18.060 19.000 -0.019 0.000 0.819 62 A HN 0.987 nan 8.150 nan 0.000 0.442 63 A N -0.494 122.316 122.820 -0.017 0.000 1.877 63 A HA -0.030 4.290 4.320 0.000 0.000 0.216 63 A C 2.090 179.667 177.584 -0.013 0.000 1.186 63 A CA 1.704 53.733 52.037 -0.013 0.000 0.620 63 A CB -0.635 18.357 19.000 -0.013 0.000 0.822 63 A HN 0.600 nan 8.150 nan 0.000 0.443 64 L N -0.308 120.906 121.223 -0.015 0.000 2.079 64 L HA -0.097 4.243 4.340 0.000 0.000 0.210 64 L C 2.239 179.100 176.870 -0.014 0.000 1.081 64 L CA 1.582 56.414 54.840 -0.013 0.000 0.752 64 L CB -0.533 41.519 42.059 -0.013 0.000 0.896 64 L HN 0.411 nan 8.230 nan 0.000 0.433 65 L N -0.978 120.233 121.223 -0.019 0.000 2.109 65 L HA -0.170 4.170 4.340 0.000 0.000 0.207 65 L C 2.503 179.363 176.870 -0.017 0.000 1.086 65 L CA 1.304 56.131 54.840 -0.022 0.000 0.760 65 L CB -0.466 41.575 42.059 -0.029 0.000 0.910 65 L HN 0.392 nan 8.230 nan 0.000 0.437 66 E N 0.251 120.443 120.200 -0.014 0.000 2.070 66 E HA -0.272 4.078 4.350 0.000 0.000 0.197 66 E C 2.004 178.598 176.600 -0.011 0.000 1.004 66 E CA 1.428 57.821 56.400 -0.012 0.000 0.805 66 E CB 0.140 29.833 29.700 -0.010 0.000 0.744 66 E HN 0.341 nan 8.360 nan 0.000 0.451 67 E N 0.283 120.478 120.200 -0.009 0.000 2.058 67 E HA -0.221 4.129 4.350 0.000 0.000 0.194 67 E C 2.007 178.603 176.600 -0.006 0.000 0.997 67 E CA 1.150 57.546 56.400 -0.007 0.000 0.801 67 E CB -0.493 29.204 29.700 -0.006 0.000 0.746 67 E HN 0.418 nan 8.360 nan 0.000 0.450 68 A N 0.899 123.715 122.820 -0.007 0.000 1.883 68 A HA -0.191 4.129 4.320 0.000 0.000 0.217 68 A C 2.336 179.916 177.584 -0.006 0.000 1.186 68 A CA 1.413 53.447 52.037 -0.006 0.000 0.624 68 A CB -0.693 18.300 19.000 -0.011 0.000 0.822 68 A HN 0.182 nan 8.150 nan 0.000 0.444 69 L N -0.817 120.400 121.223 -0.010 0.000 2.027 69 L HA -0.094 4.246 4.340 0.000 0.000 0.206 69 L C 2.643 179.509 176.870 -0.006 0.000 1.074 69 L CA 2.176 57.010 54.840 -0.009 0.000 0.745 69 L CB -0.520 41.531 42.059 -0.014 0.000 0.898 69 L HN 0.464 nan 8.230 nan 0.000 0.433 70 R N -0.643 119.853 120.500 -0.007 0.000 2.081 70 R HA -0.158 4.182 4.340 0.000 0.000 0.235 70 R C 1.854 178.153 176.300 -0.002 0.000 1.131 70 R CA 1.415 57.511 56.100 -0.005 0.000 0.960 70 R CB -0.059 30.237 30.300 -0.006 0.000 0.856 70 R HN 0.460 nan 8.270 nan 0.000 0.436 71 Q N -0.831 118.969 119.800 -0.001 0.000 2.365 71 Q HA 0.128 4.468 4.340 0.000 0.000 0.203 71 Q C 0.469 176.472 176.000 0.005 0.000 0.929 71 Q CA 0.389 56.193 55.803 0.002 0.000 0.948 71 Q CB 0.904 29.644 28.738 0.002 0.000 1.043 71 Q HN 0.613 nan 8.270 nan 0.000 0.505 72 G N 1.890 110.694 108.800 0.005 0.000 2.283 72 G HA2 -0.265 3.695 3.960 0.000 0.000 0.280 72 G HA3 -0.265 3.695 3.960 0.000 0.000 0.280 72 G C -0.063 174.845 174.900 0.014 0.000 1.029 72 G CA 0.132 45.238 45.100 0.010 0.000 0.840 72 G HN 0.059 nan 8.290 nan 0.000 0.505 73 K N -0.359 120.048 120.400 0.012 0.000 2.319 73 K HA 0.254 4.574 4.320 0.000 0.000 0.265 73 K C 0.850 177.464 176.600 0.023 0.000 1.000 73 K CA -0.553 55.744 56.287 0.018 0.000 0.943 73 K CB 0.693 33.201 32.500 0.013 0.000 0.950 73 K HN 0.437 nan 8.250 nan 0.000 0.485 74 R N 2.214 122.738 120.500 0.039 0.000 2.234 74 R HA 0.295 4.635 4.340 0.000 0.000 0.324 74 R C -0.367 175.950 176.300 0.028 0.000 1.054 74 R CA -0.246 55.889 56.100 0.059 0.000 0.912 74 R CB 0.254 30.618 30.300 0.107 0.000 1.030 74 R HN 0.483 nan 8.270 nan 0.000 0.455 75 I N 4.175 124.719 120.570 -0.045 0.000 2.441 75 I HA 0.383 4.553 4.170 0.000 0.000 0.295 75 I C -0.028 175.866 176.117 -0.372 0.000 0.994 75 I CA -0.794 60.430 61.300 -0.126 0.000 1.144 75 I CB 1.870 39.801 38.000 -0.114 0.000 1.314 75 I HN 0.496 nan 8.210 nan 0.000 0.445 76 R N 5.771 126.083 120.500 -0.313 0.000 2.393 76 R HA 0.604 4.944 4.340 0.000 0.000 0.315 76 R C -1.791 174.295 176.300 -0.357 0.000 0.952 76 R CA -0.500 55.330 56.100 -0.450 0.000 0.842 76 R CB 1.563 31.851 30.300 -0.020 0.000 1.163 76 R HN 0.474 nan 8.270 nan 0.000 0.450 77 V N 5.123 124.866 119.914 -0.286 0.000 2.334 77 V HA 0.155 4.275 4.120 0.000 0.000 0.267 77 V C -0.287 175.716 176.094 -0.152 0.000 1.040 77 V CA -0.575 61.587 62.300 -0.230 0.000 0.866 77 V CB 0.652 32.376 31.823 -0.165 0.000 1.019 77 V HN 0.760 nan 8.190 nan 0.000 0.468 78 H N 3.918 122.755 119.070 -0.389 0.000 2.741 78 H HA 0.632 5.188 4.556 0.000 0.000 0.282 78 H C 0.367 175.591 175.328 -0.173 0.000 1.122 78 H CA -0.035 55.857 56.048 -0.260 0.000 1.293 78 H CB 0.686 30.090 29.762 -0.597 0.000 1.415 78 H HN 0.772 nan 8.280 nan 0.000 0.472 79 G N 3.557 112.323 108.800 -0.057 0.000 2.511 79 G HA2 0.131 4.092 3.960 0.000 0.000 0.318 79 G HA3 0.131 4.092 3.960 0.000 0.000 0.318 79 G C -0.871 173.987 174.900 -0.069 0.000 1.210 79 G CA -0.778 44.303 45.100 -0.033 0.000 0.969 79 G HN 0.661 nan 8.290 nan 0.000 0.484 80 D N -0.839 119.515 120.400 -0.077 0.000 2.368 80 D HA 0.033 4.673 4.640 0.000 0.000 0.240 80 D C 0.916 177.107 176.300 -0.181 0.000 1.169 80 D CA -0.243 53.625 54.000 -0.220 0.000 0.906 80 D CB 0.728 41.449 40.800 -0.133 0.000 1.187 80 D HN 0.336 nan 8.370 nan 0.000 0.435 81 Y N -0.281 120.020 120.300 0.003 0.000 2.482 81 Y HA 0.166 4.716 4.550 0.000 0.000 0.270 81 Y C 0.698 176.590 175.900 -0.015 0.000 1.152 81 Y CA -0.770 57.315 58.100 -0.026 0.000 1.292 81 Y CB -1.017 37.421 38.460 -0.036 0.000 1.070 81 Y HN 0.166 nan 8.280 nan 0.000 0.528 82 D N 0.880 121.433 120.400 0.255 0.000 2.414 82 D HA 0.185 4.825 4.640 0.000 0.000 0.259 82 D C 1.541 177.885 176.300 0.074 0.000 1.269 82 D CA 0.260 54.365 54.000 0.176 0.000 1.028 82 D CB 0.941 41.836 40.800 0.157 0.000 1.093 82 D HN 0.154 nan 8.370 nan 0.000 0.545 83 A N -0.086 122.759 122.820 0.041 0.000 1.908 83 A HA -0.252 4.068 4.320 0.000 0.000 0.218 83 A C 1.849 179.427 177.584 -0.011 0.000 1.181 83 A CA 2.342 54.383 52.037 0.007 0.000 0.627 83 A CB -0.977 18.020 19.000 -0.006 0.000 0.818 83 A HN 0.738 nan 8.150 nan 0.000 0.445 84 D N -0.732 119.661 120.400 -0.011 0.000 2.104 84 D HA -0.058 4.582 4.640 0.000 0.000 0.194 84 D C 1.999 178.267 176.300 -0.053 0.000 0.994 84 D CA 1.795 55.769 54.000 -0.043 0.000 0.830 84 D CB -0.500 40.271 40.800 -0.050 0.000 0.959 84 D HN 0.300 nan 8.370 nan 0.000 0.452 85 G N 0.034 108.816 108.800 -0.032 0.000 2.408 85 G HA2 -0.157 3.803 3.960 0.000 0.000 0.217 85 G HA3 -0.157 3.803 3.960 0.000 0.000 0.217 85 G C 1.762 176.635 174.900 -0.046 0.000 1.150 85 G CA 0.616 45.688 45.100 -0.045 0.000 0.776 85 G HN 0.343 nan 8.290 nan 0.000 0.542 86 L N 1.062 122.267 121.223 -0.029 0.000 2.072 86 L HA -0.024 4.316 4.340 0.000 0.000 0.205 86 L C 3.320 180.158 176.870 -0.054 0.000 1.079 86 L CA 1.626 56.443 54.840 -0.038 0.000 0.752 86 L CB -0.925 41.120 42.059 -0.023 0.000 0.906 86 L HN 0.391 nan 8.230 nan 0.000 0.436 87 T N -2.896 111.629 114.554 -0.049 0.000 2.867 87 T HA -0.082 4.268 4.350 0.000 0.000 0.268 87 T C 1.941 176.608 174.700 -0.055 0.000 1.057 87 T CA 1.009 63.076 62.100 -0.055 0.000 1.136 87 T CB -0.777 68.066 68.868 -0.041 0.000 0.874 87 T HN 0.366 nan 8.240 nan 0.000 0.466 88 G N 1.113 109.880 108.800 -0.055 0.000 2.402 88 G HA2 -0.132 3.828 3.960 0.000 0.000 0.216 88 G HA3 -0.132 3.828 3.960 0.000 0.000 0.216 88 G C 1.706 176.563 174.900 -0.072 0.000 1.162 88 G CA 1.230 46.298 45.100 -0.054 0.000 0.777 88 G HN 0.517 nan 8.290 nan 0.000 0.539 89 T N 1.573 116.080 114.554 -0.079 0.000 2.788 89 T HA 0.019 4.369 4.350 0.000 0.000 0.268 89 T C 2.790 177.430 174.700 -0.100 0.000 1.044 89 T CA 1.461 63.507 62.100 -0.090 0.000 1.139 89 T CB -0.287 68.531 68.868 -0.082 0.000 0.867 89 T HN 0.360 nan 8.240 nan 0.000 0.454 90 A N 0.850 123.607 122.820 -0.105 0.000 1.930 90 A HA 0.036 4.356 4.320 0.000 0.000 0.217 90 A C 2.245 179.736 177.584 -0.154 0.000 1.175 90 A CA 0.971 52.923 52.037 -0.141 0.000 0.627 90 A CB -0.693 18.204 19.000 -0.172 0.000 0.815 90 A HN 0.498 nan 8.150 nan 0.000 0.443 91 I N -0.317 120.189 120.570 -0.107 0.000 2.127 91 I HA -0.297 3.873 4.170 0.000 0.000 0.241 91 I C 2.433 178.426 176.117 -0.208 0.000 1.075 91 I CA 1.432 62.682 61.300 -0.082 0.000 1.334 91 I CB -0.309 37.690 38.000 -0.003 0.000 1.040 91 I HN 0.296 nan 8.210 nan 0.000 0.405 92 L N -0.421 120.704 121.223 -0.163 0.000 2.056 92 L HA -0.187 4.154 4.340 0.000 0.000 0.207 92 L C 2.530 179.313 176.870 -0.145 0.000 1.078 92 L CA 0.908 55.647 54.840 -0.169 0.000 0.749 92 L CB -0.506 41.470 42.059 -0.137 0.000 0.901 92 L HN 0.099 nan 8.230 nan 0.000 0.433 93 V N -0.229 119.611 119.914 -0.123 0.000 2.270 93 V HA -0.259 3.861 4.120 0.000 0.000 0.245 93 V C 2.638 178.686 176.094 -0.077 0.000 1.043 93 V CA 1.716 63.959 62.300 -0.095 0.000 1.014 93 V CB -0.501 31.274 31.823 -0.081 0.000 0.645 93 V HN 0.387 nan 8.190 nan 0.000 0.447 94 R N -0.109 120.337 120.500 -0.089 0.000 2.073 94 R HA -0.100 4.240 4.340 0.000 0.000 0.234 94 R C 2.487 178.807 176.300 0.033 0.000 1.134 94 R CA 1.494 57.574 56.100 -0.033 0.000 0.952 94 R CB -1.008 29.218 30.300 -0.124 0.000 0.850 94 R HN 0.591 nan 8.270 nan 0.000 0.433 95 G N 1.382 110.114 108.800 -0.115 0.000 2.529 95 G HA2 -0.273 3.687 3.960 0.000 0.000 0.219 95 G HA3 -0.273 3.687 3.960 0.000 0.000 0.219 95 G C 1.423 176.289 174.900 -0.057 0.000 1.177 95 G CA 0.881 45.836 45.100 -0.241 0.000 0.773 95 G HN 0.154 nan 8.290 nan 0.000 0.573 96 L N 0.552 121.732 121.223 -0.072 0.000 2.109 96 L HA 0.046 4.386 4.340 0.000 0.000 0.207 96 L C 3.414 180.279 176.870 -0.008 0.000 1.086 96 L CA 0.823 55.640 54.840 -0.038 0.000 0.760 96 L CB -0.447 41.576 42.059 -0.060 0.000 0.910 96 L HN 0.306 nan 8.230 nan 0.000 0.437 97 A N 0.389 123.209 122.820 -0.001 0.000 1.940 97 A HA -0.183 4.137 4.320 0.000 0.000 0.219 97 A C 2.508 180.117 177.584 0.041 0.000 1.176 97 A CA 1.724 53.772 52.037 0.019 0.000 0.631 97 A CB -0.668 18.345 19.000 0.021 0.000 0.814 97 A HN 0.392 nan 8.150 nan 0.000 0.446 98 A N -0.672 122.191 122.820 0.071 0.000 2.070 98 A HA 0.105 4.425 4.320 0.000 0.000 0.220 98 A C 1.694 179.314 177.584 0.060 0.000 1.159 98 A CA 1.227 53.323 52.037 0.099 0.000 0.656 98 A CB -0.445 18.668 19.000 0.187 0.000 0.800 98 A HN 0.483 nan 8.150 nan 0.000 0.453 99 L N -1.439 119.805 121.223 0.035 0.000 2.741 99 L HA 0.337 4.677 4.340 0.000 0.000 0.237 99 L C 1.396 178.266 176.870 -0.000 0.000 1.178 99 L CA 0.394 55.236 54.840 0.003 0.000 0.973 99 L CB -0.028 42.020 42.059 -0.018 0.000 1.255 99 L HN 0.472 nan 8.230 nan 0.000 0.498 100 G N 0.241 109.047 108.800 0.010 0.000 2.143 100 G HA2 -0.259 3.701 3.960 0.000 0.000 0.249 100 G HA3 -0.259 3.701 3.960 0.000 0.000 0.249 100 G C 0.408 175.312 174.900 0.006 0.000 0.981 100 G CA 0.019 45.124 45.100 0.009 0.000 0.665 100 G HN 0.513 nan 8.290 nan 0.000 0.528 101 A N -0.124 122.697 122.820 0.002 0.000 2.386 101 A HA 0.542 4.862 4.320 0.000 0.000 0.248 101 A C 0.336 177.924 177.584 0.006 0.000 1.082 101 A CA 0.640 52.675 52.037 -0.003 0.000 0.789 101 A CB 0.477 19.467 19.000 -0.017 0.000 1.025 101 A HN 0.650 nan 8.150 nan 0.000 0.490 102 D N 0.952 121.359 120.400 0.011 0.000 2.456 102 D HA 0.394 5.034 4.640 0.000 0.000 0.219 102 D C -1.034 175.279 176.300 0.022 0.000 1.126 102 D CA 0.121 54.142 54.000 0.034 0.000 0.890 102 D CB 0.691 41.517 40.800 0.044 0.000 1.025 102 D HN 0.334 nan 8.370 nan 0.000 0.511 103 V N 5.143 125.065 119.914 0.013 0.000 2.808 103 V HA 0.691 4.811 4.120 0.000 0.000 0.308 103 V C -1.661 174.424 176.094 -0.015 0.000 1.099 103 V CA -0.570 61.690 62.300 -0.067 0.000 0.920 103 V CB 1.943 33.714 31.823 -0.087 0.000 1.014 103 V HN 0.792 nan 8.190 nan 0.000 0.425 104 H N 5.440 124.520 119.070 0.016 0.000 2.928 104 H HA 0.881 5.437 4.556 0.000 0.000 0.371 104 H C -3.151 172.195 175.328 0.029 0.000 1.186 104 H CA -2.388 53.675 56.048 0.026 0.000 1.134 104 H CB 2.164 31.957 29.762 0.051 0.000 1.824 104 H HN 0.480 nan 8.280 nan 0.000 0.554 105 P HA 0.330 nan 4.420 nan 0.000 0.283 105 P C -1.327 176.121 177.300 0.247 0.000 1.271 105 P CA -0.534 62.628 63.100 0.103 0.000 0.841 105 P CB 1.625 33.337 31.700 0.019 0.000 1.122 106 F N 1.453 121.394 119.950 -0.015 0.000 2.689 106 F HA 0.525 5.052 4.527 0.000 0.000 0.332 106 F C -1.612 174.078 175.800 -0.184 0.000 1.209 106 F CA -0.762 57.222 58.000 -0.026 0.000 1.028 106 F CB 0.911 39.938 39.000 0.044 0.000 1.291 106 F HN 0.175 nan 8.300 nan 0.000 0.500 107 I N 7.994 128.090 120.570 -0.789 0.000 2.498 107 I HA 0.595 4.765 4.170 0.000 0.000 0.290 107 I C -2.296 173.485 176.117 -0.560 0.000 1.032 107 I CA -2.101 58.878 61.300 -0.536 0.000 1.073 107 I CB 1.956 39.811 38.000 -0.242 0.000 1.251 107 I HN 0.465 nan 8.210 nan 0.000 0.426 120 E N 1.498 121.695 120.200 -0.005 0.000 2.338 120 E HA -0.053 4.297 4.350 0.000 0.000 0.197 120 E C 1.294 177.851 176.600 -0.071 0.000 1.007 120 E CA 0.938 57.325 56.400 -0.022 0.000 0.849 120 E CB 0.336 30.042 29.700 0.010 0.000 0.774 120 E HN 0.446 nan 8.360 nan 0.000 0.506 121 R N -0.673 119.755 120.500 -0.120 0.000 2.335 121 R HA 0.101 4.441 4.340 0.000 0.000 0.210 121 R C 2.234 178.105 176.300 -0.715 0.000 0.892 121 R CA 0.096 55.998 56.100 -0.329 0.000 1.048 121 R CB 0.259 30.432 30.300 -0.210 0.000 1.067 121 R HN -0.023 nan 8.270 nan 0.000 0.524 122 V N 3.094 122.759 119.914 -0.414 0.000 2.324 122 V HA -0.189 3.931 4.120 0.000 0.000 0.250 122 V C -0.614 175.308 176.094 -0.287 0.000 1.060 122 V CA 2.070 64.177 62.300 -0.322 0.000 1.042 122 V CB -1.111 30.626 31.823 -0.143 0.000 0.650 122 V HN 0.230 nan 8.190 nan 0.000 0.450 123 P HA -0.133 nan 4.420 nan 0.000 0.223 123 P C 1.264 178.475 177.300 -0.149 0.000 1.151 123 P CA 1.247 64.259 63.100 -0.147 0.000 0.787 123 P CB 0.075 31.713 31.700 -0.104 0.000 0.788 124 E N -0.518 119.540 120.200 -0.236 0.000 2.086 124 E HA -0.127 4.223 4.350 0.000 0.000 0.190 124 E C 2.051 178.589 176.600 -0.104 0.000 0.975 124 E CA 0.648 56.941 56.400 -0.177 0.000 0.813 124 E CB -0.705 28.860 29.700 -0.225 0.000 0.768 124 E HN 0.545 nan 8.360 nan 0.000 0.457 125 H N 0.935 119.896 119.070 -0.182 0.000 2.387 125 H HA -0.080 4.476 4.556 0.000 0.000 0.299 125 H C 2.308 177.562 175.328 -0.124 0.000 1.090 125 H CA 0.459 56.408 56.048 -0.165 0.000 1.332 125 H CB 0.173 29.702 29.762 -0.388 0.000 1.386 125 H HN 0.049 nan 8.280 nan 0.000 0.516 126 L N 1.617 122.817 121.223 -0.038 0.000 2.017 126 L HA -0.184 4.156 4.340 0.000 0.000 0.208 126 L C 2.382 179.247 176.870 -0.008 0.000 1.073 126 L CA 2.234 57.046 54.840 -0.047 0.000 0.745 126 L CB -0.680 41.336 42.059 -0.072 0.000 0.894 126 L HN 0.368 nan 8.230 nan 0.000 0.432 127 E N 0.312 120.506 120.200 -0.010 0.000 2.107 127 E HA -0.119 4.231 4.350 0.000 0.000 0.191 127 E C 1.745 178.364 176.600 0.031 0.000 0.982 127 E CA 1.606 58.008 56.400 0.003 0.000 0.809 127 E CB -0.328 29.366 29.700 -0.010 0.000 0.756 127 E HN 0.385 nan 8.360 nan 0.000 0.459 128 A N 0.270 123.123 122.820 0.055 0.000 2.218 128 A HA 0.249 4.569 4.320 0.000 0.000 0.209 128 A C 0.817 178.519 177.584 0.197 0.000 1.168 128 A CA 0.475 52.569 52.037 0.096 0.000 0.804 128 A CB -0.196 18.846 19.000 0.069 0.000 0.834 128 A HN 0.353 nan 8.150 nan 0.000 0.482 129 S N -1.968 113.831 115.700 0.165 0.000 2.564 129 S HA 0.510 4.980 4.470 0.000 0.000 0.274 129 S C -0.551 174.111 174.600 0.103 0.000 1.124 129 S CA -0.566 57.739 58.200 0.174 0.000 0.869 129 S CB 1.569 64.917 63.200 0.246 0.000 1.105 129 S HN 0.097 nan 8.310 nan 0.000 0.472 130 D N 0.063 120.515 120.400 0.085 0.000 2.338 130 D HA 0.194 4.834 4.640 0.000 0.000 0.224 130 D C 0.094 176.429 176.300 0.058 0.000 0.967 130 D CA 0.627 54.659 54.000 0.054 0.000 0.896 130 D CB 0.252 41.075 40.800 0.039 0.000 1.028 130 D HN 0.395 nan 8.370 nan 0.000 0.493 131 L N 0.120 121.383 121.223 0.067 0.000 2.365 131 L HA 0.478 4.818 4.340 0.000 0.000 0.273 131 L C -1.675 175.273 176.870 0.129 0.000 1.000 131 L CA -0.763 54.118 54.840 0.069 0.000 0.819 131 L CB 2.167 44.238 42.059 0.020 0.000 1.284 131 L HN -0.263 nan 8.230 nan 0.000 0.418 132 F N 5.551 125.464 119.950 -0.062 0.000 2.460 132 F HA 0.584 5.111 4.527 0.000 0.000 0.341 132 F C -1.408 174.341 175.800 -0.084 0.000 1.130 132 F CA -0.551 57.399 58.000 -0.084 0.000 0.962 132 F CB 1.240 40.183 39.000 -0.094 0.000 1.171 132 F HN 0.343 nan 8.300 nan 0.000 0.436 133 L N 5.858 126.844 121.223 -0.394 0.000 2.298 133 L HA 0.446 4.786 4.340 0.000 0.000 0.284 133 L C -0.227 176.399 176.870 -0.407 0.000 1.013 133 L CA -0.580 54.077 54.840 -0.305 0.000 0.824 133 L CB 1.757 43.692 42.059 -0.207 0.000 1.221 133 L HN 0.706 nan 8.230 nan 0.000 0.418 134 T N 1.095 115.473 114.554 -0.293 0.000 2.837 134 T HA 0.610 4.960 4.350 0.000 0.000 0.285 134 T C -0.329 174.298 174.700 -0.122 0.000 0.984 134 T CA -0.705 61.257 62.100 -0.231 0.000 1.049 134 T CB 1.672 70.425 68.868 -0.190 0.000 0.947 134 T HN 0.162 nan 8.240 nan 0.000 0.472 135 V N 3.370 123.242 119.914 -0.070 0.000 2.384 135 V HA 0.370 4.490 4.120 0.000 0.000 0.287 135 V C 0.379 176.449 176.094 -0.040 0.000 1.020 135 V CA -0.464 61.793 62.300 -0.070 0.000 0.850 135 V CB 0.872 32.648 31.823 -0.079 0.000 0.987 135 V HN 1.146 nan 8.190 nan 0.000 0.436 136 D N 2.523 122.885 120.400 -0.062 0.000 2.751 136 D HA -0.185 4.455 4.640 0.000 0.000 0.233 136 D C -0.322 176.050 176.300 0.120 0.000 1.149 136 D CA 1.389 55.373 54.000 -0.028 0.000 0.682 136 D CB -0.708 40.064 40.800 -0.046 0.000 1.068 136 D HN 1.083 nan 8.370 nan 0.000 0.429 137 C N -4.802 114.550 119.300 0.087 0.000 3.259 137 C HA 0.813 5.273 4.460 0.000 0.000 0.344 137 C C 1.625 176.637 174.990 0.036 0.000 1.401 137 C CA 0.268 59.352 59.018 0.109 0.000 1.219 137 C CB 1.676 29.462 27.740 0.078 0.000 1.521 137 C HN 1.080 nan 8.230 nan 0.000 0.455 138 G N 0.388 109.196 108.800 0.013 0.000 2.176 138 G HA2 -0.187 3.773 3.960 0.000 0.000 0.253 138 G HA3 -0.187 3.773 3.960 0.000 0.000 0.253 138 G C 0.308 175.183 174.900 -0.042 0.000 0.979 138 G CA 0.666 45.747 45.100 -0.032 0.000 0.641 138 G HN 1.749 nan 8.290 nan 0.000 0.530 139 I N 1.864 122.442 120.570 0.014 0.000 2.361 139 I HA 0.090 4.260 4.170 0.000 0.000 0.251 139 I C 2.327 178.371 176.117 -0.122 0.000 1.133 139 I CA 2.829 64.133 61.300 0.006 0.000 1.413 139 I CB 0.053 38.124 38.000 0.119 0.000 1.073 139 I HN 0.565 nan 8.210 nan 0.000 0.424 140 T N -3.307 111.175 114.554 -0.120 0.000 3.296 140 T HA 0.279 4.629 4.350 0.000 0.000 0.285 140 T C 0.506 175.108 174.700 -0.163 0.000 1.014 140 T CA -0.452 61.546 62.100 -0.170 0.000 0.920 140 T CB -0.785 68.081 68.868 -0.004 0.000 1.143 140 T HN 0.104 nan 8.240 nan 0.000 0.522 141 N N 2.251 120.835 118.700 -0.193 0.000 2.802 141 N HA 0.123 4.863 4.740 0.000 0.000 0.288 141 N C 0.955 176.409 175.510 -0.094 0.000 1.268 141 N CA -0.191 52.805 53.050 -0.090 0.000 1.035 141 N CB -0.101 38.357 38.487 -0.049 0.000 1.353 141 N HN 0.507 nan 8.380 nan 0.000 0.522 142 H N 1.505 120.580 119.070 0.007 0.000 2.257 142 H HA -0.201 4.355 4.556 0.000 0.000 0.292 142 H C 1.877 177.202 175.328 -0.004 0.000 1.075 142 H CA 1.926 57.975 56.048 0.001 0.000 1.212 142 H CB -0.280 29.482 29.762 -0.000 0.000 1.354 142 H HN 0.371 nan 8.280 nan 0.000 0.497 143 A N 1.700 124.605 122.820 0.142 0.000 2.054 143 A HA -0.210 4.110 4.320 0.000 0.000 0.223 143 A C 1.813 179.414 177.584 0.029 0.000 1.169 143 A CA 1.733 53.810 52.037 0.067 0.000 0.655 143 A CB -0.352 18.680 19.000 0.053 0.000 0.812 143 A HN 0.445 nan 8.150 nan 0.000 0.462 144 E N 0.117 120.327 120.200 0.016 0.000 2.405 144 E HA -0.026 4.324 4.350 0.000 0.000 0.194 144 E C 1.151 177.727 176.600 -0.039 0.000 1.149 144 E CA 0.438 56.825 56.400 -0.022 0.000 0.933 144 E CB -0.537 29.146 29.700 -0.029 0.000 1.028 144 E HN 0.797 nan 8.360 nan 0.000 0.487 145 L N -2.132 119.087 121.223 -0.007 0.000 2.675 145 L HA 0.093 4.433 4.340 0.000 0.000 0.238 145 L C 1.597 178.451 176.870 -0.026 0.000 1.155 145 L CA 0.708 55.544 54.840 -0.006 0.000 0.881 145 L CB -0.084 41.990 42.059 0.026 0.000 1.008 145 L HN -0.201 nan 8.230 nan 0.000 0.443 146 R N 0.833 121.308 120.500 -0.042 0.000 2.119 146 R HA -0.010 4.330 4.340 0.000 0.000 0.222 146 R C 1.908 178.166 176.300 -0.071 0.000 1.088 146 R CA 1.183 57.254 56.100 -0.049 0.000 0.984 146 R CB -0.506 29.763 30.300 -0.051 0.000 0.884 146 R HN 0.586 nan 8.270 nan 0.000 0.447 147 E N 0.559 120.693 120.200 -0.109 0.000 2.150 147 E HA -0.091 4.259 4.350 0.000 0.000 0.193 147 E C 1.782 178.330 176.600 -0.086 0.000 0.985 147 E CA 0.482 56.798 56.400 -0.140 0.000 0.814 147 E CB 0.031 29.569 29.700 -0.270 0.000 0.752 147 E HN 0.031 nan 8.360 nan 0.000 0.466 148 L N 0.583 121.769 121.223 -0.061 0.000 2.034 148 L HA -0.010 4.330 4.340 0.000 0.000 0.203 148 L C 1.963 178.817 176.870 -0.026 0.000 1.074 148 L CA 1.193 56.013 54.840 -0.032 0.000 0.748 148 L CB -0.731 41.317 42.059 -0.018 0.000 0.905 148 L HN 0.228 nan 8.230 nan 0.000 0.439 149 L N 0.311 121.519 121.223 -0.025 0.000 1.851 149 L HA -0.128 4.212 4.340 0.000 0.000 0.228 149 L C 1.025 177.880 176.870 -0.024 0.000 1.095 149 L CA 0.586 55.415 54.840 -0.020 0.000 1.147 149 L CB -0.460 41.589 42.059 -0.016 0.000 1.019 149 L HN 0.183 nan 8.230 nan 0.000 0.580 150 E N 2.478 122.662 120.200 -0.026 0.000 3.010 150 E HA -0.240 4.110 4.350 0.000 0.000 0.221 150 E C -0.870 175.711 176.600 -0.032 0.000 1.162 150 E CA 0.281 56.664 56.400 -0.028 0.000 0.916 150 E CB -0.887 28.794 29.700 -0.031 0.000 1.029 150 E HN 0.434 nan 8.360 nan 0.000 0.509 151 N N 1.768 120.453 118.700 -0.026 0.000 4.203 151 N HA -0.111 4.629 4.740 0.000 0.000 0.315 151 N C -0.362 175.133 175.510 -0.024 0.000 2.219 151 N CA 0.701 53.737 53.050 -0.024 0.000 2.791 151 N CB -0.616 37.854 38.487 -0.028 0.000 0.343 151 N HN 0.469 nan 8.380 nan 0.000 0.581 152 G N 2.284 111.074 108.800 -0.015 0.000 2.764 152 G HA2 0.323 4.283 3.960 0.000 0.000 0.278 152 G HA3 0.323 4.283 3.960 0.000 0.000 0.278 152 G C 0.390 175.285 174.900 -0.008 0.000 0.686 152 G CA 0.055 45.149 45.100 -0.011 0.000 2.105 152 G HN 0.416 nan 8.290 nan 0.000 0.562 153 V N 2.717 122.621 119.914 -0.017 0.000 2.347 153 V HA 0.199 4.319 4.120 0.000 0.000 0.280 153 V C 0.145 176.240 176.094 0.001 0.000 1.021 153 V CA -1.048 61.246 62.300 -0.009 0.000 0.847 153 V CB 1.511 33.309 31.823 -0.042 0.000 0.990 153 V HN 0.492 nan 8.190 nan 0.000 0.444 154 E N 3.121 123.335 120.200 0.023 0.000 2.373 154 E HA 0.299 4.649 4.350 0.000 0.000 0.267 154 E C -0.714 175.922 176.600 0.060 0.000 1.032 154 E CA -0.009 56.408 56.400 0.028 0.000 0.889 154 E CB 1.963 31.677 29.700 0.023 0.000 0.984 154 E HN 0.392 nan 8.360 nan 0.000 0.425 155 V N 4.807 124.752 119.914 0.052 0.000 2.487 155 V HA 0.422 4.542 4.120 0.000 0.000 0.298 155 V C 0.077 176.201 176.094 0.050 0.000 1.028 155 V CA -0.608 61.745 62.300 0.089 0.000 0.860 155 V CB 1.481 33.349 31.823 0.075 0.000 0.991 155 V HN 0.476 nan 8.190 nan 0.000 0.427 156 I N 4.761 125.354 120.570 0.039 0.000 2.418 156 I HA 0.470 4.641 4.170 0.000 0.000 0.287 156 I C -0.723 175.378 176.117 -0.027 0.000 1.008 156 I CA -0.807 60.489 61.300 -0.007 0.000 1.104 156 I CB 2.185 40.166 38.000 -0.032 0.000 1.264 156 I HN 0.266 nan 8.210 nan 0.000 0.438 157 V N 4.994 124.895 119.914 -0.023 0.000 2.347 157 V HA 0.429 4.549 4.120 0.000 0.000 0.280 157 V C 0.127 176.196 176.094 -0.041 0.000 1.021 157 V CA -0.359 61.923 62.300 -0.030 0.000 0.847 157 V CB 1.660 33.476 31.823 -0.011 0.000 0.990 157 V HN 0.836 nan 8.190 nan 0.000 0.444 158 T N 0.730 115.246 114.554 -0.065 0.000 2.840 158 T HA 0.765 5.115 4.350 0.000 0.000 0.287 158 T C -1.032 173.606 174.700 -0.104 0.000 0.991 158 T CA -0.608 61.436 62.100 -0.093 0.000 0.964 158 T CB 1.868 70.672 68.868 -0.107 0.000 0.954 158 T HN 0.620 nan 8.240 nan 0.000 0.438 159 D N 0.684 120.991 120.400 -0.154 0.000 2.671 159 D HA 0.285 4.925 4.640 0.000 0.000 0.273 159 D C -0.356 175.692 176.300 -0.420 0.000 1.264 159 D CA -0.613 53.298 54.000 -0.148 0.000 0.788 159 D CB 1.312 42.135 40.800 0.039 0.000 1.324 159 D HN 0.920 nan 8.370 nan 0.000 0.424 160 H N -1.554 117.201 119.070 -0.524 0.000 3.007 160 H HA 0.358 4.914 4.556 0.000 0.000 0.251 160 H C -0.311 174.922 175.328 -0.158 0.000 1.188 160 H CA -0.563 55.131 56.048 -0.589 0.000 1.017 160 H CB 0.060 29.563 29.762 -0.431 0.000 1.805 160 H HN 0.083 nan 8.280 nan 0.000 0.659 161 H N 1.312 120.435 119.070 0.087 0.000 2.551 161 H HA 0.097 4.653 4.556 0.000 0.000 0.358 161 H C 0.236 175.615 175.328 0.084 0.000 1.151 161 H CA -0.197 55.838 56.048 -0.021 0.000 1.374 161 H CB 1.365 31.127 29.762 0.001 0.000 1.473 161 H HN 0.255 nan 8.280 nan 0.000 0.574 162 T N 5.685 120.303 114.554 0.106 0.000 2.542 162 T HA -0.031 4.319 4.350 0.000 0.000 0.246 162 T C -2.036 172.652 174.700 -0.021 0.000 1.052 162 T CA -0.433 61.677 62.100 0.017 0.000 1.251 162 T CB -0.520 68.354 68.868 0.010 0.000 1.031 162 T HN 0.314 nan 8.240 nan 0.000 0.498 163 P HA 0.243 nan 4.420 nan 0.000 0.271 163 P C 0.835 178.096 177.300 -0.065 0.000 1.216 163 P CA -0.254 62.745 63.100 -0.168 0.000 0.776 163 P CB 0.551 32.038 31.700 -0.355 0.000 0.881 164 G N 2.035 110.830 108.800 -0.008 0.000 2.447 164 G HA2 -0.029 3.931 3.960 0.000 0.000 0.269 164 G HA3 -0.029 3.931 3.960 0.000 0.000 0.269 164 G C 0.678 175.591 174.900 0.022 0.000 1.455 164 G CA -0.258 44.865 45.100 0.038 0.000 1.061 164 G HN 0.411 nan 8.290 nan 0.000 0.545 165 K N -1.431 118.988 120.400 0.031 0.000 2.365 165 K HA 0.088 4.408 4.320 0.000 0.000 0.197 165 K C 0.411 177.017 176.600 0.011 0.000 1.042 165 K CA 0.570 56.861 56.287 0.007 0.000 0.987 165 K CB 0.204 32.701 32.500 -0.005 0.000 0.779 165 K HN 0.317 nan 8.250 nan 0.000 0.484 166 T N 1.209 115.791 114.554 0.047 0.000 3.071 166 T HA 0.306 4.656 4.350 0.000 0.000 0.311 166 T C -2.921 171.890 174.700 0.184 0.000 1.042 166 T CA -2.042 60.095 62.100 0.061 0.000 1.028 166 T CB 1.536 70.400 68.868 -0.005 0.000 1.068 166 T HN -0.247 nan 8.240 nan 0.000 0.451 167 P HA 0.236 nan 4.420 nan 0.000 0.268 167 P C -2.405 175.007 177.300 0.187 0.000 1.208 167 P CA -0.797 62.360 63.100 0.095 0.000 0.777 167 P CB 0.131 31.855 31.700 0.039 0.000 0.875 168 P HA 0.334 nan 4.420 nan 0.000 0.279 168 P C -2.577 174.747 177.300 0.040 0.000 1.276 168 P CA -1.759 61.309 63.100 -0.052 0.000 0.801 168 P CB -0.599 30.878 31.700 -0.371 0.000 1.127 169 P HA 0.308 nan 4.420 nan 0.000 0.270 169 P C 0.294 177.603 177.300 0.014 0.000 1.223 169 P CA 1.043 64.165 63.100 0.037 0.000 0.785 169 P CB -0.253 31.469 31.700 0.036 0.000 0.923 170 G N 0.538 109.347 108.800 0.014 0.000 2.757 170 G HA2 -0.143 3.817 3.960 0.000 0.000 0.638 170 G HA3 -0.143 3.817 3.960 0.000 0.000 0.638 170 G C -1.283 173.622 174.900 0.009 0.000 1.344 170 G CA -1.053 44.054 45.100 0.012 0.000 0.855 170 G HN 0.583 nan 8.290 nan 0.000 0.537 171 L N 0.317 121.543 121.223 0.006 0.000 2.367 171 L HA 0.612 4.952 4.340 0.000 0.000 0.275 171 L C 0.747 177.615 176.870 -0.003 0.000 1.129 171 L CA -0.030 54.809 54.840 -0.001 0.000 0.839 171 L CB 0.857 42.912 42.059 -0.008 0.000 1.133 171 L HN 1.074 nan 8.230 nan 0.000 0.453 172 V N 6.318 126.232 119.914 0.000 0.000 2.495 172 V HA 0.513 4.633 4.120 0.000 0.000 0.298 172 V C -0.641 175.458 176.094 0.008 0.000 1.031 172 V CA -0.435 61.870 62.300 0.008 0.000 0.871 172 V CB 2.197 34.033 31.823 0.023 0.000 0.988 172 V HN 0.429 nan 8.190 nan 0.000 0.432 173 V N 7.519 127.432 119.914 -0.002 0.000 2.289 173 V HA 0.497 4.617 4.120 0.000 0.000 0.272 173 V C -0.542 175.537 176.094 -0.024 0.000 1.026 173 V CA -0.454 61.830 62.300 -0.025 0.000 0.807 173 V CB 0.615 32.398 31.823 -0.067 0.000 1.044 173 V HN 0.930 nan 8.190 nan 0.000 0.443 174 H N 6.025 125.063 119.070 -0.052 0.000 2.609 174 H HA 0.401 4.957 4.556 0.000 0.000 0.344 174 H C -2.238 173.060 175.328 -0.050 0.000 1.040 174 H CA -1.865 54.158 56.048 -0.042 0.000 1.216 174 H CB 3.232 32.979 29.762 -0.026 0.000 1.529 174 H HN 0.201 nan 8.280 nan 0.000 0.519 175 P HA -0.126 nan 4.420 nan 0.000 0.215 175 P C 0.808 178.197 177.300 0.149 0.000 1.157 175 P CA 1.879 65.010 63.100 0.051 0.000 0.874 175 P CB 0.121 31.812 31.700 -0.015 0.000 0.790 176 A N -1.464 121.552 122.820 0.328 0.000 2.250 176 A HA 0.040 4.360 4.320 0.000 0.000 0.208 176 A C 1.455 179.046 177.584 0.012 0.000 1.254 176 A CA 0.730 52.836 52.037 0.116 0.000 0.858 176 A CB -1.365 17.660 19.000 0.041 0.000 0.820 176 A HN 0.183 nan 8.150 nan 0.000 0.484 177 L N -1.037 120.219 121.223 0.055 0.000 3.016 177 L HA 0.145 4.485 4.340 0.000 0.000 0.267 177 L C -0.242 176.633 176.870 0.007 0.000 1.182 177 L CA 0.036 54.878 54.840 0.003 0.000 0.997 177 L CB 0.783 42.849 42.059 0.012 0.000 1.354 177 L HN 0.105 nan 8.230 nan 0.000 0.569 178 T N 2.950 117.510 114.554 0.011 0.000 2.801 178 T HA 0.315 4.665 4.350 0.000 0.000 0.306 178 T C -2.307 172.387 174.700 -0.011 0.000 1.020 178 T CA -1.172 60.922 62.100 -0.011 0.000 0.948 178 T CB 1.340 70.191 68.868 -0.028 0.000 0.962 178 T HN -0.052 nan 8.240 nan 0.000 0.465 179 P HA 0.050 nan 4.420 nan 0.000 0.267 179 P C 0.488 177.780 177.300 -0.012 0.000 1.201 179 P CA 0.347 63.440 63.100 -0.011 0.000 0.775 179 P CB 0.667 32.359 31.700 -0.013 0.000 0.854 180 D N 0.039 120.434 120.400 -0.008 0.000 4.637 180 D HA -0.283 4.357 4.640 0.000 0.000 0.159 180 D C 0.108 176.406 176.300 -0.003 0.000 0.667 180 D CA 1.688 55.683 54.000 -0.008 0.000 1.315 180 D CB -1.477 39.315 40.800 -0.014 0.000 0.805 180 D HN 0.479 nan 8.370 nan 0.000 0.532 181 L N 0.375 121.592 121.223 -0.010 0.000 4.586 181 L HA -0.183 4.157 4.340 0.000 0.000 0.568 181 L C 0.374 177.255 176.870 0.018 0.000 0.973 181 L CA 1.206 56.041 54.840 -0.008 0.000 0.485 181 L CB 0.229 42.272 42.059 -0.027 0.000 0.520 181 L HN 0.383 nan 8.230 nan 0.000 1.132 182 K N 3.180 123.603 120.400 0.039 0.000 2.440 182 K HA 0.249 4.569 4.320 0.000 0.000 0.206 182 K C 0.001 176.691 176.600 0.149 0.000 1.025 182 K CA 0.061 56.396 56.287 0.080 0.000 1.135 182 K CB 0.145 32.682 32.500 0.062 0.000 0.856 182 K HN 0.640 nan 8.250 nan 0.000 0.502 183 E N 0.863 121.132 120.200 0.115 0.000 2.318 183 E HA 0.180 4.530 4.350 0.000 0.000 0.265 183 E C 0.001 176.659 176.600 0.096 0.000 1.069 183 E CA -0.207 56.283 56.400 0.149 0.000 0.893 183 E CB 0.993 30.753 29.700 0.101 0.000 1.076 183 E HN -0.177 nan 8.360 nan 0.000 0.414 184 K N 2.002 122.454 120.400 0.087 0.000 2.954 184 K HA 0.294 4.614 4.320 0.000 0.000 0.171 184 K C -2.477 174.154 176.600 0.051 0.000 1.079 184 K CA -1.569 54.745 56.287 0.044 0.000 0.908 184 K CB 1.316 33.820 32.500 0.006 0.000 1.142 184 K HN 0.321 nan 8.250 nan 0.000 0.613 185 P HA 0.002 nan 4.420 nan 0.000 0.272 185 P C 0.349 177.605 177.300 -0.074 0.000 1.223 185 P CA 0.117 63.242 63.100 0.040 0.000 0.784 185 P CB 0.820 32.435 31.700 -0.142 0.000 0.923 186 T N -1.447 113.012 114.554 -0.159 0.000 2.833 186 T HA 0.326 4.676 4.350 0.000 0.000 0.292 186 T C 1.784 176.078 174.700 -0.676 0.000 1.031 186 T CA 0.155 61.864 62.100 -0.651 0.000 0.937 186 T CB -0.260 68.367 68.868 -0.402 0.000 1.256 186 T HN 0.408 nan 8.240 nan 0.000 0.551 187 G N -0.014 108.263 108.800 -0.871 0.000 2.421 187 G HA2 0.004 3.964 3.960 0.000 0.000 0.216 187 G HA3 0.004 3.964 3.960 0.000 0.000 0.216 187 G C 1.812 176.576 174.900 -0.226 0.000 1.171 187 G CA 0.853 45.684 45.100 -0.448 0.000 0.775 187 G HN 1.043 nan 8.290 nan 0.000 0.543 188 A N 0.817 123.533 122.820 -0.173 0.000 1.933 188 A HA 0.172 4.492 4.320 0.000 0.000 0.218 188 A C 2.701 180.305 177.584 0.032 0.000 1.175 188 A CA 2.058 54.059 52.037 -0.060 0.000 0.628 188 A CB -1.043 17.925 19.000 -0.054 0.000 0.814 188 A HN 0.540 nan 8.150 nan 0.000 0.444 189 G N -0.489 108.330 108.800 0.031 0.000 2.418 189 G HA2 -0.136 3.824 3.960 0.000 0.000 0.217 189 G HA3 -0.136 3.824 3.960 0.000 0.000 0.217 189 G C 1.497 176.509 174.900 0.186 0.000 1.158 189 G CA 1.288 46.538 45.100 0.250 0.000 0.771 189 G HN 0.324 nan 8.290 nan 0.000 0.545 190 V N 1.507 121.402 119.914 -0.032 0.000 2.427 190 V HA -0.102 4.018 4.120 0.000 0.000 0.248 190 V C 3.309 179.385 176.094 -0.030 0.000 1.051 190 V CA 1.873 64.117 62.300 -0.093 0.000 1.048 190 V CB -0.780 30.937 31.823 -0.177 0.000 0.666 190 V HN 0.480 nan 8.190 nan 0.000 0.456 191 A N -0.332 122.482 122.820 -0.009 0.000 1.908 191 A HA -0.258 4.062 4.320 0.000 0.000 0.218 191 A C 2.114 179.727 177.584 0.049 0.000 1.181 191 A CA 2.098 54.128 52.037 -0.012 0.000 0.627 191 A CB -0.711 18.275 19.000 -0.023 0.000 0.818 191 A HN 0.538 nan 8.150 nan 0.000 0.445 192 F N 0.407 120.359 119.950 0.005 0.000 2.134 192 F HA -0.103 4.424 4.527 0.000 0.000 0.299 192 F C 1.892 177.788 175.800 0.160 0.000 1.097 192 F CA 1.638 59.689 58.000 0.085 0.000 1.264 192 F CB -0.256 38.873 39.000 0.215 0.000 1.001 192 F HN 0.138 nan 8.300 nan 0.000 0.479 193 L N -0.461 120.865 121.223 0.172 0.000 2.046 193 L HA -0.207 4.133 4.340 0.000 0.000 0.208 193 L C 2.421 179.256 176.870 -0.058 0.000 1.077 193 L CA 0.980 55.828 54.840 0.013 0.000 0.747 193 L CB -0.819 41.156 42.059 -0.141 0.000 0.896 193 L HN 0.271 nan 8.230 nan 0.000 0.432 194 L N -0.265 120.915 121.223 -0.072 0.000 2.046 194 L HA -0.213 4.127 4.340 0.000 0.000 0.208 194 L C 2.286 179.108 176.870 -0.080 0.000 1.077 194 L CA 1.603 56.396 54.840 -0.078 0.000 0.747 194 L CB -0.501 41.509 42.059 -0.083 0.000 0.896 194 L HN 0.139 nan 8.230 nan 0.000 0.432 195 L N -1.454 119.682 121.223 -0.144 0.000 2.083 195 L HA -0.198 4.142 4.340 0.000 0.000 0.209 195 L C 2.229 178.990 176.870 -0.182 0.000 1.083 195 L CA 1.670 56.380 54.840 -0.216 0.000 0.752 195 L CB -0.938 40.869 42.059 -0.420 0.000 0.899 195 L HN 0.523 nan 8.230 nan 0.000 0.433 196 W N 0.666 121.708 121.300 -0.430 0.000 2.354 196 W HA -0.223 4.437 4.660 0.000 0.000 0.315 196 W C 2.458 178.894 176.519 -0.139 0.000 1.206 196 W CA 2.377 59.509 57.345 -0.354 0.000 1.290 196 W CB -0.951 28.275 29.460 -0.389 0.000 1.152 196 W HN 0.346 nan 8.180 nan 0.000 0.489 197 A N 0.453 123.362 122.820 0.149 0.000 1.908 197 A HA -0.236 4.084 4.320 0.000 0.000 0.218 197 A C 2.014 179.649 177.584 0.086 0.000 1.181 197 A CA 2.076 54.146 52.037 0.056 0.000 0.627 197 A CB -1.227 17.751 19.000 -0.036 0.000 0.818 197 A HN 0.324 nan 8.150 nan 0.000 0.445 198 L N -0.693 120.578 121.223 0.079 0.000 2.093 198 L HA -0.153 4.187 4.340 0.000 0.000 0.208 198 L C 2.267 179.218 176.870 0.135 0.000 1.085 198 L CA 2.182 57.069 54.840 0.078 0.000 0.755 198 L CB -0.873 41.222 42.059 0.059 0.000 0.904 198 L HN 0.565 nan 8.230 nan 0.000 0.435 199 H N -0.794 118.282 119.070 0.011 0.000 2.387 199 H HA -0.104 4.452 4.556 0.000 0.000 0.299 199 H C 1.936 177.297 175.328 0.055 0.000 1.090 199 H CA 1.278 57.332 56.048 0.010 0.000 1.332 199 H CB 0.394 30.132 29.762 -0.040 0.000 1.386 199 H HN 0.467 nan 8.280 nan 0.000 0.516 200 E N 1.031 121.370 120.200 0.231 0.000 2.031 200 E HA -0.163 4.187 4.350 0.000 0.000 0.193 200 E C 2.332 178.978 176.600 0.077 0.000 0.994 200 E CA 0.669 57.165 56.400 0.159 0.000 0.800 200 E CB -0.199 29.585 29.700 0.140 0.000 0.752 200 E HN 0.466 nan 8.360 nan 0.000 0.447 201 R N 0.404 120.938 120.500 0.056 0.000 2.117 201 R HA -0.099 4.241 4.340 0.000 0.000 0.243 201 R C 2.391 178.696 176.300 0.007 0.000 1.143 201 R CA 0.988 57.102 56.100 0.023 0.000 0.968 201 R CB -0.347 29.961 30.300 0.013 0.000 0.863 201 R HN 0.165 nan 8.270 nan 0.000 0.444 202 L N -0.320 120.900 121.223 -0.006 0.000 2.599 202 L HA 0.166 4.506 4.340 0.000 0.000 0.230 202 L C 0.981 177.829 176.870 -0.037 0.000 1.141 202 L CA 0.322 55.140 54.840 -0.037 0.000 0.877 202 L CB 0.104 42.112 42.059 -0.084 0.000 1.009 202 L HN 0.436 nan 8.230 nan 0.000 0.447 203 G N 0.682 109.477 108.800 -0.009 0.000 2.182 203 G HA2 -0.254 3.706 3.960 0.000 0.000 0.248 203 G HA3 -0.254 3.706 3.960 0.000 0.000 0.248 203 G C -0.036 174.855 174.900 -0.015 0.000 1.042 203 G CA -0.042 45.057 45.100 -0.002 0.000 0.775 203 G HN 0.242 nan 8.290 nan 0.000 0.501 204 L N -0.463 120.741 121.223 -0.031 0.000 2.332 204 L HA 0.641 4.981 4.340 0.000 0.000 0.269 204 L C -1.765 175.136 176.870 0.051 0.000 1.016 204 L CA -2.561 52.247 54.840 -0.054 0.000 0.809 204 L CB 1.411 43.297 42.059 -0.287 0.000 1.280 204 L HN -0.084 nan 8.230 nan 0.000 0.447 205 P HA 0.288 nan 4.420 nan 0.000 0.276 205 P C -2.600 174.716 177.300 0.027 0.000 1.252 205 P CA -1.530 61.604 63.100 0.056 0.000 0.802 205 P CB -0.180 31.538 31.700 0.031 0.000 1.035 206 P HA 0.025 nan 4.420 nan 0.000 0.264 206 P C -1.982 175.006 177.300 -0.520 0.000 1.183 206 P CA -0.651 62.010 63.100 -0.732 0.000 0.763 206 P CB -0.785 30.392 31.700 -0.873 0.000 0.807 207 P HA 0.071 nan 4.420 nan 0.000 0.225 207 P C 0.672 177.988 177.300 0.027 0.000 1.768 207 P CA 0.179 63.106 63.100 -0.288 0.000 0.943 207 P CB -0.222 31.128 31.700 -0.584 0.000 1.936 208 L N 0.831 122.027 121.223 -0.044 0.000 2.265 208 L HA -0.164 4.176 4.340 0.000 0.000 0.215 208 L C 2.484 179.426 176.870 0.119 0.000 1.117 208 L CA 1.538 56.417 54.840 0.065 0.000 0.782 208 L CB -0.781 41.263 42.059 -0.026 0.000 0.914 208 L HN 0.287 nan 8.230 nan 0.000 0.441 209 E N -0.388 119.859 120.200 0.079 0.000 2.409 209 E HA -0.218 4.132 4.350 0.000 0.000 0.198 209 E C 1.313 177.966 176.600 0.088 0.000 1.024 209 E CA 0.981 57.338 56.400 -0.071 0.000 0.861 209 E CB -0.181 29.357 29.700 -0.271 0.000 0.788 209 E HN 0.533 nan 8.360 nan 0.000 0.521 210 Y N 0.178 120.717 120.300 0.399 0.000 2.457 210 Y HA 0.353 4.903 4.550 0.000 0.000 0.263 210 Y C 2.362 178.421 175.900 0.266 0.000 1.164 210 Y CA 0.229 58.613 58.100 0.473 0.000 1.274 210 Y CB 0.377 39.071 38.460 0.389 0.000 1.097 210 Y HN 0.181 nan 8.280 nan 0.000 0.523 211 A N 0.558 123.507 122.820 0.216 0.000 2.067 211 A HA -0.195 4.125 4.320 0.000 0.000 0.219 211 A C 1.804 179.305 177.584 -0.138 0.000 1.158 211 A CA 1.847 53.741 52.037 -0.239 0.000 0.661 211 A CB -0.488 18.385 19.000 -0.212 0.000 0.801 211 A HN 0.527 nan 8.150 nan 0.000 0.452 212 D N 0.637 121.042 120.400 0.008 0.000 2.103 212 D HA -0.149 4.491 4.640 0.000 0.000 0.199 212 D C 1.746 178.061 176.300 0.024 0.000 0.978 212 D CA 1.129 55.127 54.000 -0.003 0.000 0.829 212 D CB -0.902 39.894 40.800 -0.006 0.000 0.981 212 D HN 0.432 nan 8.370 nan 0.000 0.464 213 L N 0.454 121.752 121.223 0.124 0.000 2.042 213 L HA -0.104 4.236 4.340 0.000 0.000 0.210 213 L C 2.754 179.619 176.870 -0.008 0.000 1.076 213 L CA 1.361 56.238 54.840 0.061 0.000 0.749 213 L CB -0.582 41.507 42.059 0.051 0.000 0.893 213 L HN 0.099 nan 8.230 nan 0.000 0.432 214 A N -0.022 122.768 122.820 -0.050 0.000 1.902 214 A HA -0.158 4.162 4.320 0.000 0.000 0.217 214 A C 2.547 180.044 177.584 -0.144 0.000 1.181 214 A CA 1.710 53.670 52.037 -0.128 0.000 0.623 214 A CB -0.690 18.075 19.000 -0.392 0.000 0.818 214 A HN 0.399 nan 8.150 nan 0.000 0.443 215 A N -0.538 122.184 122.820 -0.163 0.000 1.877 215 A HA -0.002 4.318 4.320 0.000 0.000 0.216 215 A C 2.238 179.776 177.584 -0.078 0.000 1.186 215 A CA 1.767 53.724 52.037 -0.134 0.000 0.620 215 A CB -1.002 17.927 19.000 -0.119 0.000 0.822 215 A HN 0.378 nan 8.150 nan 0.000 0.443 216 V N -0.006 119.873 119.914 -0.057 0.000 2.255 216 V HA -0.231 3.889 4.120 0.000 0.000 0.247 216 V C 2.836 178.904 176.094 -0.043 0.000 1.051 216 V CA 2.173 64.449 62.300 -0.039 0.000 1.018 216 V CB -1.478 30.325 31.823 -0.034 0.000 0.641 216 V HN 0.622 nan 8.190 nan 0.000 0.445 217 G N -0.932 107.838 108.800 -0.050 0.000 2.422 217 G HA2 -0.239 3.721 3.960 0.000 0.000 0.218 217 G HA3 -0.239 3.721 3.960 0.000 0.000 0.218 217 G C 1.679 176.542 174.900 -0.062 0.000 1.146 217 G CA 1.509 46.577 45.100 -0.054 0.000 0.769 217 G HN 0.480 nan 8.290 nan 0.000 0.547 218 T N 1.579 116.091 114.554 -0.069 0.000 2.777 218 T HA -0.054 4.296 4.350 0.000 0.000 0.266 218 T C 2.347 177.011 174.700 -0.060 0.000 1.040 218 T CA 0.857 62.916 62.100 -0.068 0.000 1.141 218 T CB -0.047 68.773 68.868 -0.080 0.000 0.868 218 T HN 0.118 nan 8.240 nan 0.000 0.444 219 I N 1.683 122.221 120.570 -0.054 0.000 2.233 219 I HA -0.023 4.147 4.170 0.000 0.000 0.243 219 I C 2.969 179.053 176.117 -0.055 0.000 1.093 219 I CA 0.959 62.231 61.300 -0.046 0.000 1.380 219 I CB -1.743 36.243 38.000 -0.024 0.000 1.067 219 I HN 0.167 nan 8.210 nan 0.000 0.413 220 A N 0.435 123.225 122.820 -0.050 0.000 1.908 220 A HA -0.233 4.087 4.320 0.000 0.000 0.218 220 A C 1.852 179.418 177.584 -0.030 0.000 1.181 220 A CA 2.027 54.035 52.037 -0.048 0.000 0.627 220 A CB -0.639 18.341 19.000 -0.032 0.000 0.818 220 A HN 0.335 nan 8.150 nan 0.000 0.445 221 D N -0.839 119.553 120.400 -0.014 0.000 2.336 221 D HA 0.209 4.849 4.640 0.000 0.000 0.229 221 D C 0.451 176.755 176.300 0.006 0.000 1.061 221 D CA 0.417 54.433 54.000 0.026 0.000 0.875 221 D CB -0.047 40.801 40.800 0.080 0.000 0.904 221 D HN 0.090 nan 8.370 nan 0.000 0.525 222 V N -0.211 119.684 119.914 -0.031 0.000 5.616 222 V HA -0.285 3.835 4.120 0.000 0.000 0.301 222 V C 0.770 176.822 176.094 -0.069 0.000 0.564 222 V CA 0.525 62.795 62.300 -0.050 0.000 0.653 222 V CB -2.496 29.303 31.823 -0.039 0.000 0.372 222 V HN 0.350 nan 8.190 nan 0.000 1.029 223 A N 0.939 123.712 122.820 -0.079 0.000 2.304 223 A HA 0.748 5.068 4.320 0.000 0.000 0.271 223 A C -1.854 175.580 177.584 -0.250 0.000 1.091 223 A CA -1.495 50.466 52.037 -0.127 0.000 0.812 223 A CB 0.324 19.276 19.000 -0.080 0.000 1.056 223 A HN 0.415 nan 8.150 nan 0.000 0.489 224 P HA 0.134 nan 4.420 nan 0.000 0.267 224 P C -0.519 176.347 177.300 -0.723 0.000 1.209 224 P CA 0.231 62.798 63.100 -0.887 0.000 0.763 224 P CB 0.297 30.949 31.700 -1.746 0.000 0.816 225 L N 3.918 124.898 121.223 -0.405 0.000 2.727 225 L HA 0.206 4.546 4.340 0.000 0.000 0.237 225 L C -0.257 176.664 176.870 0.085 0.000 1.370 225 L CA -0.247 54.515 54.840 -0.131 0.000 1.248 225 L CB -1.009 41.047 42.059 -0.006 0.000 1.556 225 L HN 0.522 nan 8.230 nan 0.000 0.420 226 W N -0.806 120.532 121.300 0.064 0.000 2.992 226 W HA 0.795 5.455 4.660 0.000 0.000 0.342 226 W C 0.660 177.207 176.519 0.046 0.000 1.176 226 W CA -0.525 56.849 57.345 0.048 0.000 1.118 226 W CB -0.085 29.372 29.460 -0.005 0.000 1.457 226 W HN 0.211 nan 8.180 nan 0.000 0.573 227 G N 1.016 110.033 108.800 0.361 0.000 2.611 227 G HA2 -0.468 3.492 3.960 0.000 0.000 0.301 227 G HA3 -0.468 3.492 3.960 0.000 0.000 0.301 227 G C 0.573 175.601 174.900 0.213 0.000 1.233 227 G CA 1.196 46.454 45.100 0.264 0.000 0.993 227 G HN 1.253 nan 8.290 nan 0.000 0.553 228 W N 1.846 123.206 121.300 0.100 0.000 2.318 228 W HA -0.133 4.528 4.660 0.000 0.000 0.313 228 W C 2.764 179.312 176.519 0.049 0.000 1.221 228 W CA 2.656 60.044 57.345 0.071 0.000 1.266 228 W CB -0.448 29.042 29.460 0.050 0.000 1.150 228 W HN 0.482 nan 8.180 nan 0.000 0.496 229 N N 0.235 119.013 118.700 0.129 0.000 2.094 229 N HA -0.249 4.491 4.740 0.000 0.000 0.191 229 N C 1.858 177.260 175.510 -0.181 0.000 1.023 229 N CA 2.027 55.033 53.050 -0.074 0.000 0.857 229 N CB -0.812 37.660 38.487 -0.024 0.000 1.013 229 N HN 0.325 nan 8.380 nan 0.000 0.426 230 R N 0.707 121.171 120.500 -0.060 0.000 2.073 230 R HA -0.050 4.290 4.340 0.000 0.000 0.234 230 R C 2.049 178.287 176.300 -0.104 0.000 1.134 230 R CA 1.527 57.613 56.100 -0.024 0.000 0.952 230 R CB -0.279 30.094 30.300 0.122 0.000 0.850 230 R HN 0.165 nan 8.270 nan 0.000 0.433 231 A N 1.366 124.096 122.820 -0.150 0.000 1.883 231 A HA -0.192 4.128 4.320 0.000 0.000 0.217 231 A C 2.090 179.491 177.584 -0.306 0.000 1.186 231 A CA 1.511 53.435 52.037 -0.189 0.000 0.624 231 A CB -0.757 18.128 19.000 -0.192 0.000 0.822 231 A HN 0.423 nan 8.150 nan 0.000 0.444 232 L N -0.062 120.819 121.223 -0.570 0.000 2.042 232 L HA -0.123 4.217 4.340 0.000 0.000 0.210 232 L C 2.360 179.001 176.870 -0.381 0.000 1.076 232 L CA 2.037 56.495 54.840 -0.638 0.000 0.749 232 L CB -0.530 40.883 42.059 -1.075 0.000 0.893 232 L HN 0.150 nan 8.230 nan 0.000 0.432 233 V N -0.481 119.262 119.914 -0.284 0.000 2.427 233 V HA -0.266 3.854 4.120 0.000 0.000 0.248 233 V C 2.568 178.594 176.094 -0.114 0.000 1.051 233 V CA 1.931 64.129 62.300 -0.170 0.000 1.048 233 V CB -0.617 31.136 31.823 -0.117 0.000 0.666 233 V HN 0.455 nan 8.190 nan 0.000 0.456 234 K N -0.104 120.231 120.400 -0.109 0.000 2.057 234 K HA -0.233 4.087 4.320 0.000 0.000 0.207 234 K C 2.207 178.766 176.600 -0.068 0.000 1.049 234 K CA 1.691 57.935 56.287 -0.071 0.000 0.931 234 K CB -0.161 32.303 32.500 -0.060 0.000 0.714 234 K HN 0.362 nan 8.250 nan 0.000 0.440 235 E N 0.389 120.531 120.200 -0.096 0.000 2.031 235 E HA -0.131 4.219 4.350 0.000 0.000 0.193 235 E C 1.971 178.523 176.600 -0.080 0.000 0.994 235 E CA 1.831 58.183 56.400 -0.080 0.000 0.800 235 E CB -0.559 29.086 29.700 -0.092 0.000 0.752 235 E HN 0.304 nan 8.360 nan 0.000 0.447 236 G N 0.536 109.268 108.800 -0.114 0.000 2.402 236 G HA2 -0.208 3.752 3.960 0.000 0.000 0.216 236 G HA3 -0.208 3.752 3.960 0.000 0.000 0.216 236 G C 1.628 176.507 174.900 -0.034 0.000 1.162 236 G CA 0.856 45.901 45.100 -0.092 0.000 0.777 236 G HN 0.298 nan 8.290 nan 0.000 0.539 237 L N 0.696 121.921 121.223 0.003 0.000 2.079 237 L HA -0.081 4.259 4.340 0.000 0.000 0.210 237 L C 3.305 180.254 176.870 0.132 0.000 1.081 237 L CA 1.017 55.926 54.840 0.116 0.000 0.752 237 L CB -0.309 41.815 42.059 0.109 0.000 0.896 237 L HN 0.318 nan 8.230 nan 0.000 0.433 238 A N -0.053 122.793 122.820 0.043 0.000 2.066 238 A HA -0.095 4.225 4.320 0.000 0.000 0.218 238 A C 2.267 179.853 177.584 0.004 0.000 1.157 238 A CA 0.866 52.921 52.037 0.030 0.000 0.670 238 A CB -0.276 18.721 19.000 -0.004 0.000 0.804 238 A HN 0.360 nan 8.150 nan 0.000 0.453 239 R N -0.605 119.877 120.500 -0.031 0.000 2.280 239 R HA 0.286 4.626 4.340 0.000 0.000 0.195 239 R C 1.475 177.709 176.300 -0.110 0.000 0.935 239 R CA 0.286 56.337 56.100 -0.081 0.000 1.033 239 R CB -0.191 30.046 30.300 -0.106 0.000 0.964 239 R HN 0.490 nan 8.270 nan 0.000 0.489 240 I N 1.687 122.202 120.570 -0.090 0.000 2.163 240 I HA -0.190 3.980 4.170 0.000 0.000 0.243 240 I C -0.729 175.294 176.117 -0.157 0.000 1.085 240 I CA 1.415 62.606 61.300 -0.181 0.000 1.347 240 I CB -1.081 36.683 38.000 -0.393 0.000 1.044 240 I HN 0.017 nan 8.210 nan 0.000 0.408 241 P HA -0.149 nan 4.420 nan 0.000 0.218 241 P C 0.443 177.708 177.300 -0.059 0.000 1.148 241 P CA 1.399 64.496 63.100 -0.005 0.000 0.822 241 P CB 0.073 31.818 31.700 0.074 0.000 0.784 242 A N -1.434 121.332 122.820 -0.091 0.000 2.793 242 A HA 0.320 4.640 4.320 0.000 0.000 0.301 242 A C 0.659 178.118 177.584 -0.207 0.000 1.172 242 A CA -0.185 51.778 52.037 -0.123 0.000 0.973 242 A CB -0.688 18.250 19.000 -0.104 0.000 1.164 242 A HN 0.042 nan 8.150 nan 0.000 0.542 243 S N -0.559 114.999 115.700 -0.236 0.000 2.550 243 S HA 0.040 4.510 4.470 0.000 0.000 0.285 243 S C 1.436 175.704 174.600 -0.553 0.000 1.326 243 S CA 0.606 58.572 58.200 -0.390 0.000 1.037 243 S CB 0.510 63.529 63.200 -0.302 0.000 0.838 243 S HN 0.511 nan 8.310 nan 0.000 0.519 244 S N 2.608 117.668 115.700 -1.067 0.000 2.527 244 S HA 0.110 4.580 4.470 0.000 0.000 0.222 244 S C -0.381 173.680 174.600 -0.898 0.000 0.985 244 S CA 0.120 57.595 58.200 -1.207 0.000 0.921 244 S CB -0.064 61.962 63.200 -1.957 0.000 0.772 244 S HN 0.747 nan 8.310 nan 0.000 0.529 245 W N 0.535 121.762 121.300 -0.121 0.000 2.298 245 W HA 0.515 5.175 4.660 0.000 0.000 0.327 245 W C 0.956 177.427 176.519 -0.081 0.000 0.988 245 W CA -0.814 56.473 57.345 -0.096 0.000 1.448 245 W CB 0.266 29.667 29.460 -0.098 0.000 1.243 245 W HN -0.260 nan 8.180 nan 0.000 0.388 246 V N 3.654 123.615 119.914 0.079 0.000 2.453 246 V HA -0.239 3.881 4.120 0.000 0.000 0.252 246 V C 2.034 178.144 176.094 0.027 0.000 1.068 246 V CA 2.820 65.130 62.300 0.018 0.000 1.070 246 V CB -0.522 31.307 31.823 0.009 0.000 0.664 246 V HN 0.859 nan 8.190 nan 0.000 0.461 247 G N -0.644 108.193 108.800 0.061 0.000 2.408 247 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 247 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 247 G C 1.474 176.382 174.900 0.014 0.000 1.150 247 G CA 1.042 46.159 45.100 0.027 0.000 0.776 247 G HN 0.509 nan 8.290 nan 0.000 0.542 248 L N 0.587 121.841 121.223 0.052 0.000 2.072 248 L HA 0.201 4.541 4.340 0.000 0.000 0.205 248 L C 2.683 179.520 176.870 -0.055 0.000 1.079 248 L CA 1.900 56.747 54.840 0.011 0.000 0.752 248 L CB -0.619 41.486 42.059 0.077 0.000 0.906 248 L HN 0.239 nan 8.230 nan 0.000 0.436 249 R N -0.926 119.541 120.500 -0.055 0.000 2.091 249 R HA -0.182 4.158 4.340 0.000 0.000 0.238 249 R C 2.159 178.424 176.300 -0.059 0.000 1.136 249 R CA 1.777 57.824 56.100 -0.088 0.000 0.959 249 R CB -0.364 29.886 30.300 -0.085 0.000 0.856 249 R HN 0.355 nan 8.270 nan 0.000 0.437 250 L N 0.803 122.005 121.223 -0.035 0.000 2.093 250 L HA -0.112 4.228 4.340 0.000 0.000 0.208 250 L C 2.167 179.027 176.870 -0.017 0.000 1.085 250 L CA 1.213 56.041 54.840 -0.019 0.000 0.755 250 L CB -0.735 41.314 42.059 -0.017 0.000 0.904 250 L HN 0.274 nan 8.230 nan 0.000 0.435 251 L N -0.561 120.639 121.223 -0.038 0.000 2.056 251 L HA -0.070 4.270 4.340 0.000 0.000 0.207 251 L C 2.465 179.334 176.870 -0.001 0.000 1.078 251 L CA 2.014 56.830 54.840 -0.039 0.000 0.749 251 L CB -1.039 40.986 42.059 -0.057 0.000 0.901 251 L HN 0.209 nan 8.230 nan 0.000 0.433 252 A N -0.815 121.975 122.820 -0.049 0.000 1.898 252 A HA -0.191 4.129 4.320 0.000 0.000 0.216 252 A C 2.144 179.765 177.584 0.061 0.000 1.181 252 A CA 1.676 53.676 52.037 -0.062 0.000 0.620 252 A CB -0.531 18.275 19.000 -0.324 0.000 0.819 252 A HN 0.597 nan 8.150 nan 0.000 0.442 253 E N -0.146 120.079 120.200 0.042 0.000 2.047 253 E HA -0.068 4.282 4.350 0.000 0.000 0.191 253 E C 2.312 178.966 176.600 0.090 0.000 0.987 253 E CA 0.825 57.269 56.400 0.074 0.000 0.799 253 E CB -0.350 29.377 29.700 0.044 0.000 0.752 253 E HN 0.582 nan 8.360 nan 0.000 0.449 254 A N 1.410 124.290 122.820 0.100 0.000 1.997 254 A HA -0.192 4.128 4.320 0.000 0.000 0.221 254 A C 2.392 180.065 177.584 0.149 0.000 1.172 254 A CA 1.884 54.018 52.037 0.161 0.000 0.645 254 A CB -0.768 18.405 19.000 0.288 0.000 0.813 254 A HN 0.264 nan 8.150 nan 0.000 0.454 255 V N -4.153 115.850 119.914 0.148 0.000 3.596 255 V HA 0.555 4.675 4.120 0.000 0.000 0.289 255 V C 1.169 177.333 176.094 0.118 0.000 1.336 255 V CA 0.579 62.957 62.300 0.130 0.000 1.137 255 V CB -0.880 31.033 31.823 0.151 0.000 0.966 255 V HN 1.625 nan 8.190 nan 0.000 0.428 256 G N 0.007 108.877 108.800 0.116 0.000 2.198 256 G HA2 -0.369 3.591 3.960 0.000 0.000 0.257 256 G HA3 -0.369 3.591 3.960 0.000 0.000 0.257 256 G C -0.103 174.878 174.900 0.135 0.000 1.042 256 G CA 0.341 45.501 45.100 0.101 0.000 0.791 256 G HN 1.079 nan 8.290 nan 0.000 0.502 257 Y N 1.238 121.557 120.300 0.032 0.000 2.811 257 Y HA 0.270 4.820 4.550 0.000 0.000 0.334 257 Y C 1.629 177.541 175.900 0.020 0.000 1.247 257 Y CA 1.709 59.827 58.100 0.029 0.000 1.526 257 Y CB 0.828 39.303 38.460 0.025 0.000 1.284 257 Y HN 0.462 nan 8.280 nan 0.000 0.586 258 T N 1.496 115.769 114.554 -0.469 0.000 3.339 258 T HA 0.380 4.731 4.350 0.000 0.000 0.292 258 T C 0.825 175.182 174.700 -0.572 0.000 1.012 258 T CA -0.029 61.858 62.100 -0.354 0.000 0.937 258 T CB -0.217 68.551 68.868 -0.167 0.000 1.164 258 T HN 1.406 nan 8.240 nan 0.000 0.509 259 G N 1.625 109.588 108.800 -1.395 0.000 2.141 259 G HA2 -0.207 3.753 3.960 0.000 0.000 0.242 259 G HA3 -0.207 3.753 3.960 0.000 0.000 0.242 259 G C -0.096 174.537 174.900 -0.446 0.000 0.982 259 G CA -0.283 44.322 45.100 -0.825 0.000 0.662 259 G HN 0.573 nan 8.290 nan 0.000 0.527 260 K N 0.265 120.385 120.400 -0.468 0.000 2.183 260 K HA 0.679 4.999 4.320 0.000 0.000 0.274 260 K C 1.471 178.077 176.600 0.010 0.000 1.009 260 K CA 0.072 56.274 56.287 -0.142 0.000 0.888 260 K CB 1.472 33.922 32.500 -0.084 0.000 1.078 260 K HN 0.328 nan 8.250 nan 0.000 0.459 261 A N 3.086 125.941 122.820 0.058 0.000 1.978 261 A HA -0.138 4.182 4.320 0.000 0.000 0.220 261 A C 1.925 179.603 177.584 0.156 0.000 1.170 261 A CA 1.729 53.830 52.037 0.106 0.000 0.636 261 A CB -0.329 18.717 19.000 0.076 0.000 0.810 261 A HN 0.489 nan 8.150 nan 0.000 0.448 262 V N 0.136 120.157 119.914 0.179 0.000 2.515 262 V HA -0.229 3.891 4.120 0.000 0.000 0.250 262 V C 2.159 178.447 176.094 0.324 0.000 1.058 262 V CA 2.536 65.007 62.300 0.284 0.000 1.064 262 V CB -0.564 31.378 31.823 0.198 0.000 0.675 262 V HN 0.744 nan 8.190 nan 0.000 0.461 263 E N -0.532 119.792 120.200 0.207 0.000 2.106 263 E HA -0.150 4.200 4.350 0.000 0.000 0.192 263 E C 2.209 178.955 176.600 0.243 0.000 0.984 263 E CA 1.421 57.950 56.400 0.215 0.000 0.806 263 E CB -0.164 29.636 29.700 0.166 0.000 0.750 263 E HN 0.545 nan 8.360 nan 0.000 0.458 264 V N 1.580 121.632 119.914 0.230 0.000 2.270 264 V HA -0.259 3.861 4.120 0.000 0.000 0.245 264 V C 2.388 178.529 176.094 0.078 0.000 1.043 264 V CA 1.918 64.310 62.300 0.152 0.000 1.014 264 V CB -0.750 31.146 31.823 0.123 0.000 0.645 264 V HN 0.326 nan 8.190 nan 0.000 0.447 265 A N -0.917 121.937 122.820 0.057 0.000 1.940 265 A HA -0.175 4.145 4.320 0.000 0.000 0.219 265 A C 1.926 179.333 177.584 -0.296 0.000 1.176 265 A CA 2.049 54.000 52.037 -0.144 0.000 0.631 265 A CB -0.561 18.319 19.000 -0.200 0.000 0.814 265 A HN 0.550 nan 8.150 nan 0.000 0.446 266 F N -2.048 117.927 119.950 0.043 0.000 2.717 266 F HA 0.260 4.787 4.527 0.000 0.000 0.297 266 F C 2.377 178.201 175.800 0.039 0.000 1.113 266 F CA 0.291 58.311 58.000 0.034 0.000 1.319 266 F CB 0.390 39.405 39.000 0.026 0.000 1.097 266 F HN 0.028 nan 8.300 nan 0.000 0.595 267 R N -0.833 119.791 120.500 0.206 0.000 2.350 267 R HA 0.303 4.643 4.340 0.000 0.000 0.199 267 R C 1.745 178.112 176.300 0.113 0.000 0.876 267 R CA 0.357 56.549 56.100 0.153 0.000 1.062 267 R CB 0.225 30.621 30.300 0.159 0.000 1.263 267 R HN 0.186 nan 8.270 nan 0.000 0.641 268 I N 0.755 121.383 120.570 0.097 0.000 2.260 268 I HA -0.036 4.134 4.170 0.000 0.000 0.237 268 I C 2.481 178.611 176.117 0.022 0.000 1.075 268 I CA 1.024 62.356 61.300 0.054 0.000 1.376 268 I CB -0.330 37.691 38.000 0.036 0.000 1.107 268 I HN 0.106 nan 8.210 nan 0.000 0.420 269 A N 1.362 124.186 122.820 0.007 0.000 1.940 269 A HA -0.123 4.197 4.320 0.000 0.000 0.219 269 A C -0.078 177.498 177.584 -0.013 0.000 1.176 269 A CA 1.820 53.848 52.037 -0.014 0.000 0.631 269 A CB -1.898 17.080 19.000 -0.036 0.000 0.814 269 A HN 0.266 nan 8.150 nan 0.000 0.446 270 P HA -0.131 nan 4.420 nan 0.000 0.216 270 P C 1.438 178.743 177.300 0.008 0.000 1.150 270 P CA 1.248 64.346 63.100 -0.004 0.000 0.837 270 P CB -0.023 31.685 31.700 0.014 0.000 0.786 271 R N -0.697 119.817 120.500 0.024 0.000 2.081 271 R HA -0.043 4.297 4.340 0.000 0.000 0.235 271 R C 2.268 178.564 176.300 -0.006 0.000 1.131 271 R CA 1.259 57.372 56.100 0.022 0.000 0.960 271 R CB -1.391 28.930 30.300 0.035 0.000 0.856 271 R HN 0.217 nan 8.270 nan 0.000 0.436 272 I N 0.612 121.176 120.570 -0.011 0.000 2.202 272 I HA -0.283 3.887 4.170 0.000 0.000 0.242 272 I C 1.568 177.678 176.117 -0.011 0.000 1.091 272 I CA 1.147 62.437 61.300 -0.017 0.000 1.368 272 I CB -0.369 37.622 38.000 -0.016 0.000 1.058 272 I HN 0.200 nan 8.210 nan 0.000 0.410 273 N N 1.202 119.898 118.700 -0.006 0.000 2.166 273 N HA -0.126 4.614 4.740 0.000 0.000 0.186 273 N C 1.919 177.415 175.510 -0.023 0.000 1.019 273 N CA 1.541 54.589 53.050 -0.004 0.000 0.856 273 N CB -0.278 38.208 38.487 -0.002 0.000 0.993 273 N HN 0.349 nan 8.380 nan 0.000 0.426 274 A N 1.197 124.001 122.820 -0.026 0.000 1.908 274 A HA -0.049 4.271 4.320 0.000 0.000 0.218 274 A C 2.413 179.969 177.584 -0.046 0.000 1.181 274 A CA 1.988 54.001 52.037 -0.041 0.000 0.627 274 A CB -0.817 18.168 19.000 -0.026 0.000 0.818 274 A HN 0.322 nan 8.150 nan 0.000 0.445 275 A N -0.658 122.141 122.820 -0.035 0.000 1.883 275 A HA -0.149 4.171 4.320 0.000 0.000 0.217 275 A C 2.526 180.082 177.584 -0.047 0.000 1.186 275 A CA 2.421 54.435 52.037 -0.037 0.000 0.624 275 A CB -1.106 17.873 19.000 -0.034 0.000 0.822 275 A HN 0.658 nan 8.150 nan 0.000 0.444 276 S N -0.489 115.184 115.700 -0.045 0.000 2.343 276 S HA -0.184 4.286 4.470 0.000 0.000 0.219 276 S C 2.016 176.543 174.600 -0.122 0.000 1.033 276 S CA 1.304 59.464 58.200 -0.066 0.000 1.014 276 S CB -0.381 62.809 63.200 -0.017 0.000 0.915 276 S HN 0.512 nan 8.310 nan 0.000 0.435 277 R N 0.485 120.920 120.500 -0.108 0.000 2.377 277 R HA 0.109 4.449 4.340 0.000 0.000 0.207 277 R C 0.604 176.858 176.300 -0.077 0.000 1.075 277 R CA 0.333 56.361 56.100 -0.120 0.000 1.035 277 R CB -0.932 29.305 30.300 -0.103 0.000 0.857 277 R HN 0.373 nan 8.270 nan 0.000 0.475 278 L N -0.840 120.346 121.223 -0.063 0.000 3.014 278 L HA 0.311 4.651 4.340 0.000 0.000 0.263 278 L C 1.112 177.980 176.870 -0.003 0.000 1.207 278 L CA 0.517 55.348 54.840 -0.014 0.000 1.017 278 L CB 0.460 42.495 42.059 -0.041 0.000 1.360 278 L HN 0.385 nan 8.230 nan 0.000 0.560 279 G N -0.328 108.447 108.800 -0.041 0.000 2.179 279 G HA2 -0.300 3.660 3.960 0.000 0.000 0.260 279 G HA3 -0.300 3.660 3.960 0.000 0.000 0.260 279 G C 0.665 175.536 174.900 -0.048 0.000 0.977 279 G CA 0.299 45.369 45.100 -0.050 0.000 0.641 279 G HN 0.447 nan 8.290 nan 0.000 0.533 280 E N 0.184 120.358 120.200 -0.044 0.000 2.830 280 E HA 0.582 4.932 4.350 0.000 0.000 0.225 280 E C 1.760 178.334 176.600 -0.043 0.000 1.109 280 E CA 0.140 56.516 56.400 -0.040 0.000 1.392 280 E CB 0.421 30.103 29.700 -0.030 0.000 1.349 280 E HN 0.493 nan 8.360 nan 0.000 0.433 281 A N 1.037 123.827 122.820 -0.050 0.000 2.019 281 A HA -0.219 4.101 4.320 0.000 0.000 0.219 281 A C 1.748 179.306 177.584 -0.043 0.000 1.164 281 A CA 1.223 53.237 52.037 -0.039 0.000 0.644 281 A CB -0.120 18.866 19.000 -0.024 0.000 0.805 281 A HN 0.184 nan 8.150 nan 0.000 0.449 282 E N 0.122 120.291 120.200 -0.053 0.000 2.268 282 E HA -0.113 4.237 4.350 0.000 0.000 0.195 282 E C 1.707 178.282 176.600 -0.042 0.000 0.995 282 E CA 1.209 57.577 56.400 -0.054 0.000 0.836 282 E CB -0.198 29.469 29.700 -0.055 0.000 0.763 282 E HN 0.452 nan 8.360 nan 0.000 0.491 283 K N 0.917 121.294 120.400 -0.038 0.000 2.025 283 K HA 0.072 4.392 4.320 0.000 0.000 0.207 283 K C 2.006 178.583 176.600 -0.038 0.000 1.049 283 K CA 1.343 57.609 56.287 -0.035 0.000 0.933 283 K CB -0.642 31.837 32.500 -0.034 0.000 0.714 283 K HN 0.171 nan 8.250 nan 0.000 0.438 284 A N 0.540 123.337 122.820 -0.038 0.000 1.902 284 A HA -0.145 4.175 4.320 0.000 0.000 0.217 284 A C 2.063 179.624 177.584 -0.039 0.000 1.181 284 A CA 1.481 53.495 52.037 -0.038 0.000 0.623 284 A CB -0.705 18.277 19.000 -0.031 0.000 0.818 284 A HN 0.273 nan 8.150 nan 0.000 0.443 285 L N -0.208 120.991 121.223 -0.040 0.000 2.017 285 L HA -0.130 4.210 4.340 0.000 0.000 0.208 285 L C 2.377 179.220 176.870 -0.044 0.000 1.073 285 L CA 2.508 57.320 54.840 -0.047 0.000 0.745 285 L CB -0.796 41.233 42.059 -0.051 0.000 0.894 285 L HN 0.395 nan 8.230 nan 0.000 0.432 286 R N -0.319 120.159 120.500 -0.037 0.000 2.127 286 R HA -0.148 4.192 4.340 0.000 0.000 0.238 286 R C 2.238 178.523 176.300 -0.025 0.000 1.134 286 R CA 1.634 57.717 56.100 -0.028 0.000 0.975 286 R CB -1.087 29.199 30.300 -0.023 0.000 0.865 286 R HN 0.531 nan 8.270 nan 0.000 0.447 287 L N 0.007 121.213 121.223 -0.029 0.000 2.046 287 L HA -0.145 4.195 4.340 0.000 0.000 0.208 287 L C 1.728 178.590 176.870 -0.014 0.000 1.077 287 L CA 1.734 56.559 54.840 -0.025 0.000 0.747 287 L CB -0.267 41.769 42.059 -0.038 0.000 0.896 287 L HN 0.324 nan 8.230 nan 0.000 0.432 288 L N -0.834 120.371 121.223 -0.030 0.000 2.395 288 L HA -0.149 4.192 4.340 0.000 0.000 0.218 288 L C 2.217 179.040 176.870 -0.078 0.000 1.130 288 L CA 0.483 55.294 54.840 -0.047 0.000 0.826 288 L CB -0.134 41.877 42.059 -0.079 0.000 0.941 288 L HN 0.311 nan 8.230 nan 0.000 0.451 289 L N -1.674 119.515 121.223 -0.056 0.000 2.515 289 L HA 0.108 4.448 4.340 0.000 0.000 0.223 289 L C 1.337 178.204 176.870 -0.004 0.000 1.079 289 L CA -0.033 54.774 54.840 -0.055 0.000 0.857 289 L CB 0.166 42.196 42.059 -0.049 0.000 1.050 289 L HN 0.078 nan 8.230 nan 0.000 0.476 290 T N -0.758 113.803 114.554 0.012 0.000 2.899 290 T HA 0.048 4.398 4.350 0.000 0.000 0.295 290 T C 0.401 175.135 174.700 0.057 0.000 1.033 290 T CA -0.176 61.941 62.100 0.028 0.000 1.084 290 T CB 0.898 69.775 68.868 0.016 0.000 0.979 290 T HN 0.054 nan 8.240 nan 0.000 0.532 291 D N 1.223 121.656 120.400 0.055 0.000 2.433 291 D HA 0.152 4.792 4.640 0.000 0.000 0.211 291 D C -0.254 176.069 176.300 0.037 0.000 1.114 291 D CA -0.126 53.913 54.000 0.065 0.000 0.837 291 D CB 0.317 41.160 40.800 0.072 0.000 0.984 291 D HN 0.537 nan 8.370 nan 0.000 0.505 292 D N 0.705 121.121 120.400 0.027 0.000 2.313 292 D HA 0.265 4.905 4.640 0.000 0.000 0.239 292 D C 1.069 177.375 176.300 0.011 0.000 1.142 292 D CA -0.308 53.701 54.000 0.016 0.000 0.847 292 D CB 1.714 42.521 40.800 0.012 0.000 1.082 292 D HN -0.046 nan 8.370 nan 0.000 0.480 293 A N 4.227 127.051 122.820 0.007 0.000 1.898 293 A HA -0.022 4.298 4.320 0.000 0.000 0.216 293 A C 2.085 179.670 177.584 0.001 0.000 1.181 293 A CA 1.720 53.758 52.037 0.002 0.000 0.620 293 A CB -0.541 18.458 19.000 -0.002 0.000 0.819 293 A HN 0.658 nan 8.150 nan 0.000 0.442 294 A N -0.035 122.785 122.820 0.001 0.000 1.865 294 A HA -0.238 4.082 4.320 0.000 0.000 0.217 294 A C 2.074 179.658 177.584 -0.001 0.000 1.191 294 A CA 1.950 53.987 52.037 0.001 0.000 0.623 294 A CB -0.672 18.329 19.000 0.002 0.000 0.826 294 A HN 0.687 nan 8.150 nan 0.000 0.444 295 E N -0.163 120.037 120.200 -0.000 0.000 2.110 295 E HA -0.119 4.231 4.350 0.000 0.000 0.193 295 E C 2.082 178.677 176.600 -0.007 0.000 0.988 295 E CA 1.093 57.491 56.400 -0.003 0.000 0.804 295 E CB -0.281 29.419 29.700 -0.000 0.000 0.745 295 E HN 0.522 nan 8.360 nan 0.000 0.458 296 A N 1.168 123.985 122.820 -0.005 0.000 1.877 296 A HA -0.268 4.052 4.320 0.000 0.000 0.216 296 A C 2.193 179.764 177.584 -0.022 0.000 1.186 296 A CA 1.744 53.774 52.037 -0.011 0.000 0.620 296 A CB -0.738 18.261 19.000 -0.002 0.000 0.822 296 A HN 0.469 nan 8.150 nan 0.000 0.443 297 Q N -0.426 119.366 119.800 -0.013 0.000 2.030 297 Q HA -0.187 4.153 4.340 0.000 0.000 0.204 297 Q C 2.213 178.203 176.000 -0.017 0.000 0.986 297 Q CA 1.967 57.763 55.803 -0.012 0.000 0.843 297 Q CB -0.396 28.342 28.738 -0.001 0.000 0.904 297 Q HN 0.586 nan 8.270 nan 0.000 0.420 298 A N 0.827 123.640 122.820 -0.012 0.000 1.883 298 A HA -0.187 4.133 4.320 0.000 0.000 0.217 298 A C 2.091 179.659 177.584 -0.027 0.000 1.186 298 A CA 1.481 53.511 52.037 -0.012 0.000 0.624 298 A CB -0.845 18.151 19.000 -0.007 0.000 0.822 298 A HN 0.486 nan 8.150 nan 0.000 0.444 299 L N -0.577 120.624 121.223 -0.036 0.000 2.131 299 L HA -0.158 4.182 4.340 0.000 0.000 0.210 299 L C 2.454 179.268 176.870 -0.094 0.000 1.092 299 L CA 0.814 55.623 54.840 -0.052 0.000 0.759 299 L CB -0.389 41.643 42.059 -0.044 0.000 0.903 299 L HN 0.260 nan 8.230 nan 0.000 0.435 300 V N -0.121 119.720 119.914 -0.123 0.000 2.427 300 V HA -0.179 3.941 4.120 0.000 0.000 0.248 300 V C 2.577 178.477 176.094 -0.324 0.000 1.051 300 V CA 1.890 64.035 62.300 -0.258 0.000 1.048 300 V CB -1.025 30.668 31.823 -0.216 0.000 0.666 300 V HN 0.564 nan 8.190 nan 0.000 0.456 301 G N -0.581 108.154 108.800 -0.109 0.000 2.418 301 G HA2 -0.300 3.660 3.960 0.000 0.000 0.217 301 G HA3 -0.300 3.660 3.960 0.000 0.000 0.217 301 G C 1.482 176.383 174.900 0.002 0.000 1.158 301 G CA 1.025 46.132 45.100 0.011 0.000 0.771 301 G HN 0.504 nan 8.290 nan 0.000 0.545 302 E N 0.140 120.322 120.200 -0.030 0.000 2.085 302 E HA -0.049 4.301 4.350 0.000 0.000 0.194 302 E C 2.599 179.183 176.600 -0.027 0.000 0.994 302 E CA 0.684 57.072 56.400 -0.020 0.000 0.801 302 E CB -0.290 29.393 29.700 -0.028 0.000 0.743 302 E HN 0.411 nan 8.360 nan 0.000 0.453 303 L N -0.598 120.579 121.223 -0.077 0.000 2.093 303 L HA -0.178 4.162 4.340 0.000 0.000 0.208 303 L C 2.254 179.126 176.870 0.004 0.000 1.085 303 L CA 1.545 56.345 54.840 -0.067 0.000 0.755 303 L CB -0.707 41.280 42.059 -0.121 0.000 0.904 303 L HN 0.368 nan 8.230 nan 0.000 0.435 304 H N -0.687 118.381 119.070 -0.003 0.000 2.387 304 H HA -0.187 4.369 4.556 0.000 0.000 0.299 304 H C 2.505 177.830 175.328 -0.005 0.000 1.099 304 H CA 1.184 57.231 56.048 -0.001 0.000 1.315 304 H CB 0.144 29.908 29.762 0.003 0.000 1.380 304 H HN 0.194 nan 8.280 nan 0.000 0.513 305 R N 0.986 121.557 120.500 0.118 0.000 2.090 305 R HA -0.083 4.257 4.340 0.000 0.000 0.228 305 R C 1.940 178.259 176.300 0.031 0.000 1.110 305 R CA 0.860 56.995 56.100 0.058 0.000 0.973 305 R CB -0.057 30.266 30.300 0.039 0.000 0.869 305 R HN 0.308 nan 8.270 nan 0.000 0.440 306 L N 0.744 121.980 121.223 0.021 0.000 2.109 306 L HA -0.107 4.233 4.340 0.000 0.000 0.207 306 L C 2.250 179.118 176.870 -0.004 0.000 1.086 306 L CA 1.196 56.035 54.840 -0.002 0.000 0.760 306 L CB -0.467 41.584 42.059 -0.013 0.000 0.910 306 L HN 0.269 nan 8.230 nan 0.000 0.437 307 N N 0.467 119.180 118.700 0.022 0.000 2.106 307 N HA -0.167 4.573 4.740 0.000 0.000 0.188 307 N C 1.853 177.369 175.510 0.011 0.000 1.029 307 N CA 1.530 54.594 53.050 0.022 0.000 0.848 307 N CB -0.082 38.444 38.487 0.065 0.000 1.007 307 N HN 0.239 nan 8.380 nan 0.000 0.423 308 A N 0.292 123.126 122.820 0.023 0.000 1.978 308 A HA -0.159 4.161 4.320 0.000 0.000 0.220 308 A C 2.228 179.808 177.584 -0.006 0.000 1.170 308 A CA 1.760 53.802 52.037 0.008 0.000 0.636 308 A CB -0.657 18.350 19.000 0.012 0.000 0.810 308 A HN 0.381 nan 8.150 nan 0.000 0.448 309 R N -0.285 120.209 120.500 -0.011 0.000 2.062 309 R HA -0.040 4.300 4.340 0.000 0.000 0.229 309 R C 2.306 178.575 176.300 -0.052 0.000 1.128 309 R CA 1.637 57.722 56.100 -0.024 0.000 0.960 309 R CB -0.528 29.758 30.300 -0.023 0.000 0.855 309 R HN 0.380 nan 8.270 nan 0.000 0.432 310 R N 0.733 121.192 120.500 -0.068 0.000 2.105 310 R HA -0.140 4.200 4.340 0.000 0.000 0.239 310 R C 1.938 178.196 176.300 -0.070 0.000 1.135 310 R CA 2.085 58.123 56.100 -0.103 0.000 0.967 310 R CB -0.255 29.989 30.300 -0.094 0.000 0.861 310 R HN 0.495 nan 8.270 nan 0.000 0.442 311 Q N -0.940 118.837 119.800 -0.039 0.000 2.079 311 Q HA -0.080 4.260 4.340 0.000 0.000 0.200 311 Q C 1.977 177.962 176.000 -0.025 0.000 0.974 311 Q CA 2.181 57.969 55.803 -0.025 0.000 0.840 311 Q CB 0.037 28.768 28.738 -0.012 0.000 0.898 311 Q HN 0.359 nan 8.270 nan 0.000 0.430 312 T N 1.237 115.776 114.554 -0.024 0.000 2.708 312 T HA -0.130 4.220 4.350 0.000 0.000 0.266 312 T C 1.816 176.504 174.700 -0.019 0.000 1.037 312 T CA 1.022 63.111 62.100 -0.017 0.000 1.146 312 T CB -0.237 68.623 68.868 -0.013 0.000 0.865 312 T HN 0.177 nan 8.240 nan 0.000 0.435 313 L N 0.692 121.895 121.223 -0.033 0.000 2.046 313 L HA -0.068 4.272 4.340 0.000 0.000 0.208 313 L C 2.807 179.659 176.870 -0.029 0.000 1.077 313 L CA 1.375 56.196 54.840 -0.031 0.000 0.747 313 L CB -0.546 41.473 42.059 -0.067 0.000 0.896 313 L HN 0.333 nan 8.230 nan 0.000 0.432 314 E N 0.327 120.502 120.200 -0.041 0.000 2.110 314 E HA -0.285 4.065 4.350 0.000 0.000 0.193 314 E C 2.017 178.608 176.600 -0.014 0.000 0.988 314 E CA 1.327 57.709 56.400 -0.030 0.000 0.804 314 E CB 0.192 29.872 29.700 -0.033 0.000 0.745 314 E HN 0.324 nan 8.360 nan 0.000 0.458 315 E N 0.071 120.263 120.200 -0.013 0.000 2.107 315 E HA -0.048 4.302 4.350 0.000 0.000 0.191 315 E C 1.630 178.229 176.600 -0.003 0.000 0.982 315 E CA 1.160 57.556 56.400 -0.007 0.000 0.809 315 E CB -0.155 29.540 29.700 -0.008 0.000 0.756 315 E HN 0.339 nan 8.360 nan 0.000 0.459 316 A N 0.480 123.299 122.820 -0.002 0.000 1.873 316 A HA -0.132 4.188 4.320 0.000 0.000 0.215 316 A C 2.306 179.893 177.584 0.005 0.000 1.186 316 A CA 1.609 53.647 52.037 0.002 0.000 0.616 316 A CB -0.608 18.394 19.000 0.003 0.000 0.823 316 A HN 0.396 nan 8.150 nan 0.000 0.442 317 M N -0.558 119.044 119.600 0.004 0.000 2.080 317 M HA -0.125 4.355 4.480 0.000 0.000 0.260 317 M C 2.101 178.407 176.300 0.011 0.000 1.068 317 M CA 1.678 56.983 55.300 0.008 0.000 1.109 317 M CB -0.192 32.413 32.600 0.008 0.000 1.342 317 M HN 0.429 nan 8.290 nan 0.000 0.405 318 L N 0.513 121.741 121.223 0.009 0.000 2.043 318 L HA -0.261 4.079 4.340 0.000 0.000 0.212 318 L C 2.234 179.113 176.870 0.015 0.000 1.075 318 L CA 1.998 56.845 54.840 0.013 0.000 0.752 318 L CB -0.951 41.112 42.059 0.007 0.000 0.891 318 L HN 0.407 nan 8.230 nan 0.000 0.432 319 R N -0.384 120.123 120.500 0.011 0.000 2.096 319 R HA -0.195 4.145 4.340 0.000 0.000 0.235 319 R C 2.324 178.633 176.300 0.015 0.000 1.127 319 R CA 1.561 57.668 56.100 0.012 0.000 0.968 319 R CB -0.124 30.181 30.300 0.009 0.000 0.861 319 R HN 0.395 nan 8.270 nan 0.000 0.440 320 K N 0.262 120.671 120.400 0.015 0.000 2.076 320 K HA -0.090 4.230 4.320 0.000 0.000 0.204 320 K C 1.718 178.332 176.600 0.024 0.000 1.051 320 K CA 0.826 57.123 56.287 0.016 0.000 0.949 320 K CB 0.203 32.709 32.500 0.010 0.000 0.726 320 K HN -0.016 nan 8.250 nan 0.000 0.443 321 L N 1.013 122.253 121.223 0.028 0.000 2.127 321 L HA -0.053 4.287 4.340 0.000 0.000 0.203 321 L C 2.190 179.089 176.870 0.048 0.000 1.080 321 L CA 0.966 55.831 54.840 0.042 0.000 0.768 321 L CB -0.938 41.149 42.059 0.047 0.000 0.924 321 L HN 0.181 nan 8.230 nan 0.000 0.444 322 L N 0.602 121.849 121.223 0.040 0.000 2.079 322 L HA -0.125 4.215 4.340 0.000 0.000 0.210 322 L C -0.628 176.266 176.870 0.041 0.000 1.081 322 L CA 1.943 56.807 54.840 0.040 0.000 0.752 322 L CB -1.516 40.561 42.059 0.031 0.000 0.896 322 L HN 0.171 nan 8.230 nan 0.000 0.433 323 P HA -0.069 nan 4.420 nan 0.000 0.239 323 P C -0.004 177.321 177.300 0.042 0.000 1.184 323 P CA 0.781 63.902 63.100 0.035 0.000 0.760 323 P CB 0.115 31.833 31.700 0.030 0.000 0.884 324 Q N -1.113 118.718 119.800 0.051 0.000 2.427 324 Q HA 0.594 4.934 4.340 0.000 0.000 0.232 324 Q C 0.315 176.357 176.000 0.071 0.000 1.018 324 Q CA -1.166 54.674 55.803 0.062 0.000 0.965 324 Q CB 0.466 29.247 28.738 0.072 0.000 1.232 324 Q HN -0.155 nan 8.270 nan 0.000 0.510 325 A N 1.163 124.031 122.820 0.080 0.000 1.695 325 A HA -0.247 4.073 4.320 0.000 0.000 0.243 325 A C -0.389 177.244 177.584 0.081 0.000 1.154 325 A CA 1.478 53.564 52.037 0.082 0.000 0.848 325 A CB -1.133 17.930 19.000 0.105 0.000 1.076 325 A HN 0.742 nan 8.150 nan 0.000 0.313 326 D N -0.270 120.169 120.400 0.066 0.000 2.602 326 D HA 0.090 4.730 4.640 0.000 0.000 0.284 326 D C -0.686 175.646 176.300 0.053 0.000 1.065 326 D CA 0.651 54.688 54.000 0.063 0.000 0.923 326 D CB -0.127 40.708 40.800 0.058 0.000 1.373 326 D HN 0.393 nan 8.370 nan 0.000 0.492 327 P HA -0.248 nan 4.420 nan 0.000 0.256 327 P C -0.258 177.065 177.300 0.038 0.000 0.820 327 P CA 1.410 64.533 63.100 0.038 0.000 1.100 327 P CB 0.056 31.776 31.700 0.033 0.000 0.800 328 E N -0.893 119.328 120.200 0.035 0.000 3.898 328 E HA 0.425 4.775 4.350 0.000 0.000 0.219 328 E C -0.157 176.463 176.600 0.034 0.000 1.207 328 E CA -0.219 56.201 56.400 0.034 0.000 1.240 328 E CB 0.639 30.355 29.700 0.028 0.000 1.239 328 E HN 0.352 nan 8.360 nan 0.000 0.422 329 A N 1.373 124.218 122.820 0.041 0.000 2.532 329 A HA 0.144 4.464 4.320 0.000 0.000 0.273 329 A C 1.209 178.818 177.584 0.042 0.000 1.342 329 A CA -0.128 51.931 52.037 0.038 0.000 0.929 329 A CB -0.035 18.991 19.000 0.043 0.000 1.051 329 A HN 0.239 nan 8.150 nan 0.000 0.521 330 K N -2.124 118.304 120.400 0.047 0.000 3.861 330 K HA -0.284 4.036 4.320 0.000 0.000 0.308 330 K C 0.384 177.034 176.600 0.082 0.000 0.815 330 K CA 2.094 58.414 56.287 0.056 0.000 1.291 330 K CB -1.488 31.035 32.500 0.039 0.000 1.508 330 K HN 1.440 nan 8.250 nan 0.000 0.468 331 A N -0.551 122.318 122.820 0.082 0.000 2.566 331 A HA 0.701 5.021 4.320 0.000 0.000 0.297 331 A C -1.292 176.372 177.584 0.133 0.000 1.059 331 A CA -0.672 51.447 52.037 0.138 0.000 0.691 331 A CB 1.356 20.393 19.000 0.062 0.000 1.282 331 A HN 0.077 nan 8.150 nan 0.000 0.401 332 I N 2.348 123.056 120.570 0.230 0.000 2.390 332 I HA 0.401 4.571 4.170 0.000 0.000 0.283 332 I C -0.994 175.311 176.117 0.313 0.000 1.016 332 I CA -0.735 60.691 61.300 0.211 0.000 1.151 332 I CB 1.752 39.858 38.000 0.177 0.000 1.293 332 I HN 0.322 nan 8.210 nan 0.000 0.458 333 V N 7.831 127.887 119.914 0.237 0.000 2.325 333 V HA 0.463 4.583 4.120 0.000 0.000 0.280 333 V C -0.096 176.273 176.094 0.459 0.000 1.016 333 V CA -0.389 62.099 62.300 0.314 0.000 0.818 333 V CB 1.445 33.274 31.823 0.010 0.000 1.019 333 V HN 0.494 nan 8.190 nan 0.000 0.434 334 L N 5.190 126.734 121.223 0.535 0.000 2.342 334 L HA 0.720 5.060 4.340 0.000 0.000 0.271 334 L C -0.790 176.243 176.870 0.271 0.000 1.008 334 L CA -0.941 54.165 54.840 0.442 0.000 0.818 334 L CB 2.193 44.388 42.059 0.227 0.000 1.296 334 L HN 0.490 nan 8.230 nan 0.000 0.427 335 L N 1.554 122.685 121.223 -0.153 0.000 2.356 335 L HA 0.589 4.929 4.340 0.000 0.000 0.277 335 L C -1.244 175.471 176.870 -0.259 0.000 0.996 335 L CA 0.106 54.612 54.840 -0.557 0.000 0.822 335 L CB 1.630 42.801 42.059 -1.481 0.000 1.256 335 L HN 0.509 nan 8.230 nan 0.000 0.413 336 D N 5.845 126.138 120.400 -0.179 0.000 2.378 336 D HA 0.453 5.093 4.640 0.000 0.000 0.265 336 D C -2.146 174.089 176.300 -0.109 0.000 1.229 336 D CA -1.950 51.986 54.000 -0.106 0.000 0.914 336 D CB 1.889 42.659 40.800 -0.050 0.000 1.140 336 D HN 0.298 nan 8.370 nan 0.000 0.516 337 P HA -0.167 nan 4.420 nan 0.000 0.217 337 P C 0.651 177.904 177.300 -0.078 0.000 1.162 337 P CA 1.201 64.239 63.100 -0.103 0.000 0.901 337 P CB 0.362 32.008 31.700 -0.091 0.000 0.793 338 E N -0.891 119.273 120.200 -0.061 0.000 2.465 338 E HA 0.169 4.519 4.350 0.000 0.000 0.191 338 E C 1.056 177.633 176.600 -0.038 0.000 1.053 338 E CA 0.064 56.434 56.400 -0.051 0.000 0.869 338 E CB -0.621 29.056 29.700 -0.038 0.000 0.977 338 E HN 0.142 nan 8.360 nan 0.000 0.483 339 G N 0.243 109.023 108.800 -0.035 0.000 2.406 339 G HA2 -0.007 3.953 3.960 0.000 0.000 0.251 339 G HA3 -0.007 3.953 3.960 0.000 0.000 0.251 339 G C -0.597 174.316 174.900 0.021 0.000 1.271 339 G CA -0.217 44.882 45.100 -0.002 0.000 0.859 339 G HN 0.246 nan 8.290 nan 0.000 0.540 340 H N 3.149 122.191 119.070 -0.046 0.000 2.899 340 H HA 0.160 4.716 4.556 0.000 0.000 0.303 340 H C -1.307 173.986 175.328 -0.059 0.000 1.042 340 H CA -1.359 54.659 56.048 -0.050 0.000 1.479 340 H CB 1.507 31.244 29.762 -0.043 0.000 1.493 340 H HN 0.219 nan 8.280 nan 0.000 0.534 341 P HA -0.110 nan 4.420 nan 0.000 0.218 341 P C 1.385 178.748 177.300 0.105 0.000 1.148 341 P CA 1.491 64.629 63.100 0.064 0.000 0.822 341 P CB 0.217 31.899 31.700 -0.029 0.000 0.784 342 G N -0.348 108.622 108.800 0.284 0.000 2.509 342 G HA2 -0.128 3.832 3.960 0.000 0.000 0.218 342 G HA3 -0.128 3.832 3.960 0.000 0.000 0.218 342 G C 1.296 176.153 174.900 -0.072 0.000 1.124 342 G CA 0.938 46.066 45.100 0.045 0.000 0.776 342 G HN 0.395 nan 8.290 nan 0.000 0.547 343 V N -1.822 118.047 119.914 -0.074 0.000 3.645 343 V HA 0.241 4.361 4.120 0.000 0.000 0.275 343 V C 2.368 178.443 176.094 -0.031 0.000 1.356 343 V CA 1.034 63.285 62.300 -0.081 0.000 1.051 343 V CB -0.047 31.707 31.823 -0.115 0.000 0.828 343 V HN 0.360 nan 8.190 nan 0.000 0.441 344 M N 1.315 120.909 119.600 -0.010 0.000 2.202 344 M HA 0.101 4.581 4.480 0.000 0.000 0.262 344 M C 2.138 178.436 176.300 -0.003 0.000 1.063 344 M CA 2.361 57.659 55.300 -0.003 0.000 1.097 344 M CB -1.515 31.082 32.600 -0.004 0.000 1.382 344 M HN 0.308 nan 8.290 nan 0.000 0.413 345 G N 1.606 110.401 108.800 -0.009 0.000 2.440 345 G HA2 -0.134 3.826 3.960 0.000 0.000 0.218 345 G HA3 -0.134 3.826 3.960 0.000 0.000 0.218 345 G C 1.569 176.467 174.900 -0.004 0.000 1.154 345 G CA 1.035 46.132 45.100 -0.006 0.000 0.767 345 G HN 0.524 nan 8.290 nan 0.000 0.552 346 I N 0.329 120.895 120.570 -0.008 0.000 2.617 346 I HA -0.068 4.102 4.170 0.000 0.000 0.256 346 I C 2.568 178.686 176.117 0.003 0.000 1.167 346 I CA 0.173 61.471 61.300 -0.004 0.000 1.469 346 I CB 0.087 38.081 38.000 -0.010 0.000 1.098 346 I HN 0.018 nan 8.210 nan 0.000 0.436 347 V N 1.029 120.945 119.914 0.002 0.000 2.515 347 V HA -0.208 3.912 4.120 0.000 0.000 0.250 347 V C 2.676 178.783 176.094 0.021 0.000 1.058 347 V CA 1.728 64.034 62.300 0.011 0.000 1.064 347 V CB -0.849 30.981 31.823 0.012 0.000 0.675 347 V HN 0.452 nan 8.190 nan 0.000 0.461 348 A N -0.252 122.580 122.820 0.019 0.000 1.898 348 A HA -0.173 4.147 4.320 0.000 0.000 0.216 348 A C 2.499 180.092 177.584 0.014 0.000 1.181 348 A CA 2.088 54.139 52.037 0.023 0.000 0.620 348 A CB -0.655 18.351 19.000 0.010 0.000 0.819 348 A HN 0.485 nan 8.150 nan 0.000 0.442 349 S N -0.411 115.294 115.700 0.008 0.000 2.368 349 S HA -0.155 4.315 4.470 0.000 0.000 0.225 349 S C 2.064 176.675 174.600 0.018 0.000 1.030 349 S CA 1.471 59.678 58.200 0.010 0.000 0.999 349 S CB -0.293 62.914 63.200 0.011 0.000 0.844 349 S HN 0.602 nan 8.310 nan 0.000 0.459 350 R N 0.400 120.911 120.500 0.019 0.000 2.115 350 R HA 0.108 4.448 4.340 0.000 0.000 0.230 350 R C 2.110 178.422 176.300 0.022 0.000 1.111 350 R CA 1.043 57.153 56.100 0.018 0.000 0.976 350 R CB -0.341 29.966 30.300 0.013 0.000 0.870 350 R HN 0.401 nan 8.270 nan 0.000 0.445 351 I N 0.649 121.235 120.570 0.028 0.000 2.286 351 I HA -0.240 3.930 4.170 0.000 0.000 0.245 351 I C 2.421 178.562 176.117 0.039 0.000 1.104 351 I CA 0.820 62.143 61.300 0.038 0.000 1.397 351 I CB -0.187 37.844 38.000 0.051 0.000 1.072 351 I HN 0.161 nan 8.210 nan 0.000 0.417 352 L N 0.809 122.052 121.223 0.033 0.000 2.012 352 L HA -0.266 4.074 4.340 0.000 0.000 0.210 352 L C 2.492 179.381 176.870 0.032 0.000 1.073 352 L CA 1.830 56.688 54.840 0.030 0.000 0.748 352 L CB -0.196 41.871 42.059 0.014 0.000 0.891 352 L HN 0.148 nan 8.230 nan 0.000 0.431 353 E N 0.277 120.494 120.200 0.028 0.000 2.072 353 E HA -0.131 4.219 4.350 0.000 0.000 0.191 353 E C 1.928 178.547 176.600 0.031 0.000 0.985 353 E CA 1.372 57.790 56.400 0.029 0.000 0.801 353 E CB -0.301 29.414 29.700 0.025 0.000 0.750 353 E HN 0.592 nan 8.360 nan 0.000 0.452 354 A N -1.011 121.826 122.820 0.028 0.000 2.255 354 A HA 0.004 4.324 4.320 0.000 0.000 0.206 354 A C 1.795 179.402 177.584 0.038 0.000 1.193 354 A CA 1.525 53.579 52.037 0.029 0.000 0.794 354 A CB -0.126 18.889 19.000 0.024 0.000 0.794 354 A HN 0.228 nan 8.150 nan 0.000 0.481 355 T N -1.962 112.617 114.554 0.042 0.000 3.029 355 T HA 0.241 4.591 4.350 0.000 0.000 0.256 355 T C -0.113 174.616 174.700 0.049 0.000 0.914 355 T CA -0.020 62.108 62.100 0.047 0.000 0.880 355 T CB -0.076 68.823 68.868 0.053 0.000 1.246 355 T HN 0.276 nan 8.240 nan 0.000 0.523 356 L N 2.790 124.040 121.223 0.046 0.000 3.713 356 L HA -0.148 4.192 4.340 0.000 0.000 0.499 356 L C -0.320 176.580 176.870 0.050 0.000 1.281 356 L CA 1.028 55.897 54.840 0.047 0.000 0.796 356 L CB -1.285 40.804 42.059 0.051 0.000 1.535 356 L HN 0.296 nan 8.230 nan 0.000 0.851 357 R N -0.944 119.588 120.500 0.052 0.000 2.643 357 R HA 0.596 4.936 4.340 0.000 0.000 0.269 357 R C -2.639 173.701 176.300 0.067 0.000 1.037 357 R CA -1.827 54.313 56.100 0.066 0.000 0.894 357 R CB 1.208 31.556 30.300 0.080 0.000 1.238 357 R HN -0.252 nan 8.270 nan 0.000 0.459 358 P HA 0.154 nan 4.420 nan 0.000 0.269 358 P C -0.637 176.717 177.300 0.091 0.000 1.209 358 P CA -0.293 62.838 63.100 0.052 0.000 0.776 358 P CB 0.623 32.410 31.700 0.144 0.000 0.876 359 V N 3.821 123.695 119.914 -0.067 0.000 2.531 359 V HA 0.431 4.551 4.120 0.000 0.000 0.301 359 V C -0.707 175.345 176.094 -0.070 0.000 1.034 359 V CA -0.300 62.029 62.300 0.049 0.000 0.865 359 V CB 1.025 32.877 31.823 0.047 0.000 0.995 359 V HN 0.317 nan 8.190 nan 0.000 0.424 360 F N 5.438 125.509 119.950 0.201 0.000 2.449 360 F HA 0.735 5.262 4.527 0.000 0.000 0.342 360 F C -0.402 175.595 175.800 0.329 0.000 1.127 360 F CA -0.843 57.349 58.000 0.320 0.000 0.975 360 F CB 1.629 40.894 39.000 0.441 0.000 1.146 360 F HN 0.162 nan 8.300 nan 0.000 0.444 361 L N 3.582 125.049 121.223 0.406 0.000 2.354 361 L HA 0.777 5.117 4.340 0.000 0.000 0.269 361 L C -0.686 176.292 176.870 0.180 0.000 1.005 361 L CA -1.063 53.934 54.840 0.263 0.000 0.819 361 L CB 2.167 44.302 42.059 0.125 0.000 1.311 361 L HN 0.318 nan 8.230 nan 0.000 0.423 362 V N 1.663 121.634 119.914 0.096 0.000 2.638 362 V HA 0.938 5.058 4.120 0.000 0.000 0.306 362 V C -0.667 175.360 176.094 -0.112 0.000 1.052 362 V CA -0.634 61.640 62.300 -0.043 0.000 0.885 362 V CB 1.782 33.628 31.823 0.038 0.000 0.999 362 V HN 0.886 nan 8.190 nan 0.000 0.424 363 A N 3.343 126.084 122.820 -0.132 0.000 2.488 363 A HA 0.709 5.029 4.320 0.000 0.000 0.295 363 A C -0.207 177.307 177.584 -0.116 0.000 1.045 363 A CA -0.434 51.537 52.037 -0.111 0.000 0.703 363 A CB 1.528 20.484 19.000 -0.073 0.000 1.271 363 A HN 0.921 nan 8.150 nan 0.000 0.400 364 Q N 0.854 120.591 119.800 -0.106 0.000 2.434 364 Q HA -0.258 4.082 4.340 0.000 0.000 0.299 364 Q C 1.177 177.118 176.000 -0.099 0.000 1.286 364 Q CA 1.644 57.389 55.803 -0.098 0.000 0.872 364 Q CB -1.581 27.095 28.738 -0.103 0.000 1.193 364 Q HN 2.584 nan 8.270 nan 0.000 0.466 365 G N -1.062 107.677 108.800 -0.102 0.000 2.189 365 G HA2 -0.328 3.632 3.960 0.000 0.000 0.267 365 G HA3 -0.328 3.632 3.960 0.000 0.000 0.267 365 G C 0.019 174.829 174.900 -0.150 0.000 0.975 365 G CA 0.844 45.886 45.100 -0.097 0.000 0.644 365 G HN 0.205 nan 8.290 nan 0.000 0.537 366 K N 0.336 120.617 120.400 -0.199 0.000 2.156 366 K HA 0.738 5.058 4.320 0.000 0.000 0.250 366 K C 0.314 176.622 176.600 -0.487 0.000 0.955 366 K CA 0.057 56.167 56.287 -0.295 0.000 0.855 366 K CB 1.939 34.323 32.500 -0.193 0.000 1.101 366 K HN 0.552 nan 8.250 nan 0.000 0.434 367 G N -0.339 107.926 108.800 -0.891 0.000 2.612 367 G HA2 0.513 4.473 3.960 0.000 0.000 0.298 367 G HA3 0.513 4.473 3.960 0.000 0.000 0.298 367 G C -1.242 173.268 174.900 -0.649 0.000 1.336 367 G CA -0.293 44.092 45.100 -1.191 0.000 0.953 367 G HN 0.362 nan 8.290 nan 0.000 0.482 368 T N -0.651 113.810 114.554 -0.155 0.000 2.900 368 T HA 0.655 5.005 4.350 0.000 0.000 0.295 368 T C -1.176 173.604 174.700 0.133 0.000 1.044 368 T CA -0.336 61.777 62.100 0.022 0.000 0.995 368 T CB 1.728 70.586 68.868 -0.016 0.000 1.072 368 T HN 0.602 nan 8.240 nan 0.000 0.473 369 V N 4.884 124.825 119.914 0.046 0.000 2.709 369 V HA 0.734 4.854 4.120 0.000 0.000 0.308 369 V C -0.754 175.227 176.094 -0.188 0.000 1.062 369 V CA -1.046 61.152 62.300 -0.169 0.000 0.901 369 V CB 2.058 33.724 31.823 -0.261 0.000 1.003 369 V HN 0.726 nan 8.190 nan 0.000 0.425 370 R N 2.017 122.378 120.500 -0.231 0.000 2.502 370 R HA 0.785 5.125 4.340 0.000 0.000 0.300 370 R C -0.459 175.735 176.300 -0.176 0.000 0.984 370 R CA -0.275 55.738 56.100 -0.146 0.000 0.882 370 R CB 1.931 32.187 30.300 -0.072 0.000 1.180 370 R HN 0.837 nan 8.270 nan 0.000 0.444 371 S N 2.663 118.284 115.700 -0.132 0.000 2.810 371 S HA 0.906 5.376 4.470 0.000 0.000 0.315 371 S C -1.072 173.505 174.600 -0.038 0.000 1.138 371 S CA -0.676 57.465 58.200 -0.097 0.000 0.889 371 S CB 1.169 64.305 63.200 -0.108 0.000 1.236 371 S HN 0.522 nan 8.310 nan 0.000 0.548 372 L N -1.543 119.666 121.223 -0.022 0.000 2.940 372 L HA 0.779 5.119 4.340 0.000 0.000 0.270 372 L C 0.055 176.920 176.870 -0.009 0.000 1.030 372 L CA -0.499 54.339 54.840 -0.003 0.000 0.928 372 L CB 0.642 42.708 42.059 0.012 0.000 1.506 372 L HN 1.531 nan 8.230 nan 0.000 0.405 373 A N 0.699 123.522 122.820 0.005 0.000 5.471 373 A HA -0.165 4.155 4.320 0.000 0.000 0.292 373 A C -1.641 175.932 177.584 -0.017 0.000 2.024 373 A CA 0.876 52.917 52.037 0.007 0.000 0.716 373 A CB -3.203 15.807 19.000 0.017 0.000 1.221 373 A HN 1.001 nan 8.150 nan 0.000 0.364 374 P HA 0.290 nan 4.420 nan 0.000 0.249 374 P C 0.052 177.153 177.300 -0.332 0.000 1.229 374 P CA 0.787 63.847 63.100 -0.067 0.000 0.788 374 P CB -0.272 31.477 31.700 0.081 0.000 1.072 375 I N 0.480 120.865 120.570 -0.308 0.000 2.297 375 I HA 0.127 4.297 4.170 0.000 0.000 0.291 375 I C 0.724 176.762 176.117 -0.133 0.000 1.033 375 I CA -0.619 60.454 61.300 -0.377 0.000 1.253 375 I CB 1.111 38.975 38.000 -0.228 0.000 1.396 375 I HN -0.144 nan 8.210 nan 0.000 0.476 376 S N 4.920 120.573 115.700 -0.079 0.000 2.481 376 S HA 0.323 4.793 4.470 0.000 0.000 0.276 376 S C 1.305 175.924 174.600 0.032 0.000 1.247 376 S CA -0.128 58.076 58.200 0.008 0.000 1.053 376 S CB 1.037 64.267 63.200 0.051 0.000 0.925 376 S HN 0.734 nan 8.310 nan 0.000 0.491 377 A N 5.278 128.091 122.820 -0.012 0.000 1.883 377 A HA -0.067 4.253 4.320 0.000 0.000 0.217 377 A C 2.186 179.782 177.584 0.021 0.000 1.186 377 A CA 1.955 53.968 52.037 -0.041 0.000 0.624 377 A CB -1.106 17.814 19.000 -0.135 0.000 0.822 377 A HN 0.918 nan 8.150 nan 0.000 0.444 378 V N -0.391 119.535 119.914 0.020 0.000 2.809 378 V HA -0.109 4.011 4.120 0.000 0.000 0.256 378 V C 2.244 178.389 176.094 0.086 0.000 1.080 378 V CA 2.440 64.791 62.300 0.086 0.000 1.102 378 V CB -0.263 31.592 31.823 0.053 0.000 0.705 378 V HN 0.674 nan 8.190 nan 0.000 0.475 379 E N -0.026 120.182 120.200 0.013 0.000 2.285 379 E HA 0.056 4.406 4.350 0.000 0.000 0.194 379 E C 2.034 178.359 176.600 -0.458 0.000 0.997 379 E CA 1.084 57.443 56.400 -0.069 0.000 0.845 379 E CB -0.149 29.592 29.700 0.067 0.000 0.782 379 E HN 0.652 nan 8.360 nan 0.000 0.491 380 A N 0.286 122.840 122.820 -0.444 0.000 1.872 380 A HA -0.069 4.251 4.320 0.000 0.000 0.214 380 A C 2.097 179.424 177.584 -0.428 0.000 1.187 380 A CA 0.856 52.449 52.037 -0.741 0.000 0.614 380 A CB -0.596 18.411 19.000 0.012 0.000 0.826 380 A HN 0.280 nan 8.150 nan 0.000 0.442 381 L N -0.792 120.353 121.223 -0.130 0.000 2.079 381 L HA -0.218 4.122 4.340 0.000 0.000 0.210 381 L C 2.805 179.461 176.870 -0.357 0.000 1.081 381 L CA 1.979 56.721 54.840 -0.164 0.000 0.752 381 L CB -0.575 41.502 42.059 0.031 0.000 0.896 381 L HN 0.522 nan 8.230 nan 0.000 0.433 382 R N 0.620 121.018 120.500 -0.170 0.000 2.081 382 R HA -0.175 4.165 4.340 0.000 0.000 0.235 382 R C 2.572 178.750 176.300 -0.202 0.000 1.131 382 R CA 1.702 57.730 56.100 -0.120 0.000 0.960 382 R CB -0.221 30.122 30.300 0.072 0.000 0.856 382 R HN 0.408 nan 8.270 nan 0.000 0.436 383 S N -0.750 114.778 115.700 -0.286 0.000 2.465 383 S HA -0.086 4.384 4.470 0.000 0.000 0.241 383 S C 1.201 175.677 174.600 -0.206 0.000 1.000 383 S CA 1.006 59.062 58.200 -0.240 0.000 0.964 383 S CB 0.112 63.097 63.200 -0.358 0.000 0.763 383 S HN 0.432 nan 8.310 nan 0.000 0.512 384 A N 0.731 123.397 122.820 -0.258 0.000 2.594 384 A HA 0.420 4.740 4.320 0.000 0.000 0.292 384 A C 1.289 178.747 177.584 -0.209 0.000 1.026 384 A CA 0.127 52.040 52.037 -0.207 0.000 0.983 384 A CB -0.001 18.849 19.000 -0.251 0.000 1.233 384 A HN 0.659 nan 8.150 nan 0.000 0.519 385 E N 0.923 120.955 120.200 -0.280 0.000 2.153 385 E HA -0.268 4.082 4.350 0.000 0.000 0.194 385 E C 0.988 177.482 176.600 -0.177 0.000 0.988 385 E CA 1.484 57.662 56.400 -0.370 0.000 0.811 385 E CB -0.404 29.083 29.700 -0.355 0.000 0.746 385 E HN 0.511 nan 8.360 nan 0.000 0.466 386 D N 0.800 121.143 120.400 -0.095 0.000 2.350 386 D HA -0.144 4.496 4.640 0.000 0.000 0.216 386 D C 1.713 177.996 176.300 -0.029 0.000 0.968 386 D CA 0.352 54.328 54.000 -0.041 0.000 0.894 386 D CB -0.076 40.710 40.800 -0.024 0.000 0.909 386 D HN 0.243 nan 8.370 nan 0.000 0.520 387 L N -0.321 120.877 121.223 -0.042 0.000 2.446 387 L HA 0.269 4.609 4.340 0.000 0.000 0.219 387 L C 0.568 177.436 176.870 -0.003 0.000 1.116 387 L CA 0.461 55.299 54.840 -0.003 0.000 0.844 387 L CB -0.212 41.868 42.059 0.036 0.000 0.970 387 L HN 0.054 nan 8.230 nan 0.000 0.457 388 L N -1.889 119.309 121.223 -0.040 0.000 2.344 388 L HA 0.258 4.598 4.340 0.000 0.000 0.272 388 L C 1.028 177.932 176.870 0.055 0.000 1.035 388 L CA -0.579 54.263 54.840 0.003 0.000 0.807 388 L CB 1.218 43.237 42.059 -0.067 0.000 1.237 388 L HN -0.119 nan 8.230 nan 0.000 0.442 389 L N 0.868 122.149 121.223 0.097 0.000 2.270 389 L HA 0.145 4.485 4.340 0.000 0.000 0.210 389 L C 0.775 177.723 176.870 0.130 0.000 1.104 389 L CA 0.681 55.577 54.840 0.093 0.000 0.804 389 L CB -0.205 41.900 42.059 0.077 0.000 0.937 389 L HN 0.737 nan 8.230 nan 0.000 0.450 390 R N -0.927 119.690 120.500 0.194 0.000 2.728 390 R HA 0.440 4.780 4.340 0.000 0.000 0.274 390 R C -1.816 174.731 176.300 0.411 0.000 1.032 390 R CA -0.752 55.499 56.100 0.251 0.000 0.866 390 R CB 1.343 31.739 30.300 0.160 0.000 1.263 390 R HN -0.084 nan 8.270 nan 0.000 0.475 391 Y N -1.786 118.583 120.300 0.114 0.000 2.889 391 Y HA 0.692 5.242 4.550 0.000 0.000 0.379 391 Y C -1.480 174.477 175.900 0.095 0.000 1.179 391 Y CA -0.260 57.927 58.100 0.146 0.000 1.178 391 Y CB 0.554 39.095 38.460 0.135 0.000 1.460 391 Y HN 1.207 nan 8.280 nan 0.000 0.472 392 G N -0.205 108.517 108.800 -0.129 0.000 2.376 392 G HA2 0.701 4.661 3.960 0.000 0.000 0.302 392 G HA3 0.701 4.661 3.960 0.000 0.000 0.302 392 G C -0.778 174.085 174.900 -0.063 0.000 1.586 392 G CA 0.108 45.041 45.100 -0.278 0.000 0.907 392 G HN 2.415 nan 8.290 nan 0.000 0.655 393 G N 0.439 109.203 108.800 -0.060 0.000 2.344 393 G HA2 0.694 4.654 3.960 0.000 0.000 0.282 393 G HA3 0.694 4.654 3.960 0.000 0.000 0.282 393 G C -0.744 174.173 174.900 0.027 0.000 1.281 393 G CA 0.352 45.434 45.100 -0.030 0.000 0.877 393 G HN 1.713 nan 8.290 nan 0.000 0.494 394 H N -0.908 118.168 119.070 0.009 0.000 3.379 394 H HA 0.575 5.131 4.556 0.000 0.000 0.298 394 H C 0.907 176.244 175.328 0.015 0.000 1.672 394 H CA -0.466 55.588 56.048 0.010 0.000 1.446 394 H CB 0.726 30.492 29.762 0.006 0.000 1.710 394 H HN 0.461 nan 8.280 nan 0.000 0.791 395 K N -0.276 120.216 120.400 0.153 0.000 2.209 395 K HA -0.096 4.224 4.320 0.000 0.000 0.204 395 K C 1.255 177.866 176.600 0.019 0.000 1.048 395 K CA 1.842 58.169 56.287 0.066 0.000 0.940 395 K CB 0.167 32.716 32.500 0.082 0.000 0.729 395 K HN 0.547 nan 8.250 nan 0.000 0.451 396 E N -1.038 119.192 120.200 0.050 0.000 2.372 396 E HA 0.162 4.512 4.350 0.000 0.000 0.201 396 E C -0.316 176.213 176.600 -0.117 0.000 0.938 396 E CA -0.127 56.278 56.400 0.009 0.000 0.944 396 E CB 1.095 30.863 29.700 0.115 0.000 0.937 396 E HN 0.115 nan 8.360 nan 0.000 0.495 397 A N 0.996 123.587 122.820 -0.381 0.000 2.486 397 A HA 0.839 5.159 4.320 0.000 0.000 0.300 397 A C -1.351 175.932 177.584 -0.501 0.000 1.048 397 A CA -0.325 51.489 52.037 -0.372 0.000 0.696 397 A CB 1.719 20.601 19.000 -0.197 0.000 1.278 397 A HN 0.104 nan 8.150 nan 0.000 0.405 398 A N 0.449 123.147 122.820 -0.203 0.000 2.612 398 A HA 0.947 5.267 4.320 0.000 0.000 0.293 398 A C -0.232 177.409 177.584 0.096 0.000 1.075 398 A CA -0.040 51.960 52.037 -0.063 0.000 0.680 398 A CB 1.391 20.393 19.000 0.004 0.000 1.279 398 A HN 2.307 nan 8.150 nan 0.000 0.411 399 G N -0.668 108.241 108.800 0.181 0.000 2.642 399 G HA2 0.961 4.921 3.960 0.000 0.000 0.293 399 G HA3 0.961 4.921 3.960 0.000 0.000 0.293 399 G C -0.978 174.174 174.900 0.422 0.000 1.341 399 G CA -0.198 45.042 45.100 0.234 0.000 0.916 399 G HN 1.908 nan 8.290 nan 0.000 0.474 400 F N -1.794 118.203 119.950 0.078 0.000 2.858 400 F HA 0.838 5.365 4.527 0.000 0.000 0.319 400 F C -0.620 175.196 175.800 0.027 0.000 1.166 400 F CA -1.460 56.592 58.000 0.087 0.000 0.899 400 F CB 1.171 40.232 39.000 0.102 0.000 1.332 400 F HN 0.928 nan 8.300 nan 0.000 0.461 401 A N 2.314 125.205 122.820 0.120 0.000 2.401 401 A HA 0.920 5.240 4.320 0.000 0.000 0.310 401 A C -1.105 176.556 177.584 0.128 0.000 1.075 401 A CA -0.709 51.326 52.037 -0.003 0.000 0.746 401 A CB 1.930 20.947 19.000 0.028 0.000 1.277 401 A HN 1.201 nan 8.150 nan 0.000 0.425 402 M N 1.616 121.246 119.600 0.051 0.000 2.562 402 M HA 0.253 4.733 4.480 0.000 0.000 0.281 402 M C -2.127 174.193 176.300 0.033 0.000 1.195 402 M CA -0.573 54.776 55.300 0.082 0.000 0.888 402 M CB 1.895 34.580 32.600 0.141 0.000 1.731 402 M HN 0.793 nan 8.290 nan 0.000 0.493 403 D N 2.700 123.123 120.400 0.039 0.000 2.371 403 D HA 0.084 4.724 4.640 0.000 0.000 0.256 403 D C 0.382 176.709 176.300 0.046 0.000 1.193 403 D CA 0.487 54.505 54.000 0.030 0.000 0.881 403 D CB 1.043 41.863 40.800 0.032 0.000 1.143 403 D HN 0.705 nan 8.370 nan 0.000 0.473 404 E N 2.445 122.659 120.200 0.024 0.000 2.331 404 E HA -0.202 4.148 4.350 0.000 0.000 0.199 404 E C 1.629 178.282 176.600 0.088 0.000 1.008 404 E CA 0.670 57.092 56.400 0.038 0.000 0.843 404 E CB 0.108 29.788 29.700 -0.033 0.000 0.761 404 E HN 0.554 nan 8.360 nan 0.000 0.507 405 A N 0.931 123.793 122.820 0.071 0.000 2.015 405 A HA -0.096 4.224 4.320 0.000 0.000 0.219 405 A C 1.957 179.609 177.584 0.114 0.000 1.163 405 A CA 0.757 52.842 52.037 0.080 0.000 0.646 405 A CB -0.262 18.769 19.000 0.051 0.000 0.806 405 A HN 0.168 nan 8.150 nan 0.000 0.448 406 L N -1.374 119.924 121.223 0.124 0.000 2.627 406 L HA 0.092 4.432 4.340 0.000 0.000 0.232 406 L C 1.823 178.817 176.870 0.207 0.000 1.150 406 L CA -0.229 54.689 54.840 0.131 0.000 0.917 406 L CB -0.397 41.721 42.059 0.098 0.000 1.104 406 L HN 0.418 nan 8.230 nan 0.000 0.445 407 F N 2.469 122.469 119.950 0.084 0.000 2.069 407 F HA -0.120 4.407 4.527 0.000 0.000 0.298 407 F C -0.421 175.468 175.800 0.150 0.000 1.113 407 F CA 1.600 59.680 58.000 0.133 0.000 1.214 407 F CB -1.161 37.898 39.000 0.097 0.000 0.978 407 F HN 0.099 nan 8.300 nan 0.000 0.474 408 P HA -0.167 nan 4.420 nan 0.000 0.216 408 P C 1.526 178.772 177.300 -0.090 0.000 1.150 408 P CA 2.362 65.438 63.100 -0.041 0.000 0.837 408 P CB -0.333 31.400 31.700 0.055 0.000 0.786 409 A N -1.216 121.593 122.820 -0.017 0.000 1.902 409 A HA -0.209 4.111 4.320 0.000 0.000 0.217 409 A C 2.112 179.649 177.584 -0.078 0.000 1.181 409 A CA 1.388 53.405 52.037 -0.033 0.000 0.623 409 A CB -1.803 17.205 19.000 0.013 0.000 0.818 409 A HN 0.144 nan 8.150 nan 0.000 0.443 410 F N 0.676 120.503 119.950 -0.204 0.000 2.075 410 F HA -0.129 4.398 4.527 0.000 0.000 0.297 410 F C 2.204 177.771 175.800 -0.389 0.000 1.113 410 F CA 2.221 60.057 58.000 -0.273 0.000 1.218 410 F CB -0.283 38.587 39.000 -0.217 0.000 0.984 410 F HN 0.210 nan 8.300 nan 0.000 0.472 411 K N 0.300 120.411 120.400 -0.481 0.000 2.020 411 K HA -0.241 4.079 4.320 0.000 0.000 0.212 411 K C 2.234 178.553 176.600 -0.467 0.000 1.050 411 K CA 1.611 57.546 56.287 -0.588 0.000 0.929 411 K CB -0.583 31.560 32.500 -0.595 0.000 0.714 411 K HN 0.348 nan 8.250 nan 0.000 0.443 412 A N 1.195 123.821 122.820 -0.324 0.000 1.877 412 A HA -0.202 4.118 4.320 0.000 0.000 0.216 412 A C 2.112 179.539 177.584 -0.262 0.000 1.186 412 A CA 1.771 53.668 52.037 -0.233 0.000 0.620 412 A CB -0.638 18.271 19.000 -0.153 0.000 0.822 412 A HN 0.335 nan 8.150 nan 0.000 0.443 413 R N 0.067 120.381 120.500 -0.310 0.000 2.122 413 R HA -0.177 4.163 4.340 0.000 0.000 0.236 413 R C 2.207 178.299 176.300 -0.346 0.000 1.129 413 R CA 2.572 58.493 56.100 -0.299 0.000 0.925 413 R CB -1.221 28.875 30.300 -0.341 0.000 0.850 413 R HN 0.631 nan 8.270 nan 0.000 0.431 414 V N -0.931 118.596 119.914 -0.644 0.000 2.490 414 V HA -0.166 3.954 4.120 0.000 0.000 0.250 414 V C 1.637 177.516 176.094 -0.357 0.000 1.061 414 V CA 2.167 64.078 62.300 -0.650 0.000 1.064 414 V CB -0.557 30.425 31.823 -1.402 0.000 0.670 414 V HN 0.420 nan 8.190 nan 0.000 0.461 415 E N 1.174 121.171 120.200 -0.339 0.000 2.106 415 E HA -0.077 4.273 4.350 0.000 0.000 0.192 415 E C 2.409 178.959 176.600 -0.083 0.000 0.984 415 E CA 1.321 57.617 56.400 -0.173 0.000 0.806 415 E CB -0.376 29.230 29.700 -0.156 0.000 0.750 415 E HN 0.754 nan 8.360 nan 0.000 0.458 416 A N 0.776 123.543 122.820 -0.089 0.000 1.930 416 A HA -0.193 4.127 4.320 0.000 0.000 0.217 416 A C 2.005 179.596 177.584 0.011 0.000 1.175 416 A CA 1.108 53.118 52.037 -0.044 0.000 0.627 416 A CB -0.666 18.303 19.000 -0.052 0.000 0.815 416 A HN 0.378 nan 8.150 nan 0.000 0.443 417 Y N 0.719 120.977 120.300 -0.070 0.000 2.181 417 Y HA -0.092 4.458 4.550 0.000 0.000 0.288 417 Y C 2.553 178.576 175.900 0.206 0.000 1.146 417 Y CA 1.232 59.356 58.100 0.040 0.000 1.164 417 Y CB -0.428 38.023 38.460 -0.016 0.000 0.982 417 Y HN 0.293 nan 8.280 nan 0.000 0.515 418 A N 0.237 123.114 122.820 0.096 0.000 1.969 418 A HA 0.008 4.328 4.320 0.000 0.000 0.218 418 A C 2.316 179.977 177.584 0.128 0.000 1.169 418 A CA 1.327 53.431 52.037 0.112 0.000 0.635 418 A CB -1.298 17.772 19.000 0.116 0.000 0.810 418 A HN 0.563 nan 8.150 nan 0.000 0.445 419 A N -0.359 122.481 122.820 0.033 0.000 2.121 419 A HA -0.067 4.253 4.320 0.000 0.000 0.218 419 A C 2.004 179.542 177.584 -0.078 0.000 1.154 419 A CA 1.014 53.046 52.037 -0.007 0.000 0.679 419 A CB -0.413 18.569 19.000 -0.031 0.000 0.795 419 A HN 0.506 nan 8.150 nan 0.000 0.458 420 R N -1.700 118.698 120.500 -0.170 0.000 2.339 420 R HA 0.135 4.475 4.340 0.000 0.000 0.199 420 R C -0.877 174.917 176.300 -0.844 0.000 1.018 420 R CA 0.234 56.032 56.100 -0.503 0.000 1.036 420 R CB -0.100 29.777 30.300 -0.705 0.000 0.899 420 R HN 0.507 nan 8.270 nan 0.000 0.473 421 F N -0.286 119.570 119.950 -0.158 0.000 2.620 421 F HA 0.421 4.948 4.527 0.000 0.000 0.320 421 F C -1.962 173.802 175.800 -0.061 0.000 1.069 421 F CA -3.022 54.913 58.000 -0.109 0.000 0.953 421 F CB 0.990 39.917 39.000 -0.121 0.000 1.322 421 F HN -0.204 nan 8.300 nan 0.000 0.479 422 P HA 0.148 nan 4.420 nan 0.000 0.277 422 P C -1.070 176.286 177.300 0.093 0.000 1.240 422 P CA -0.395 62.757 63.100 0.087 0.000 0.798 422 P CB 0.780 32.523 31.700 0.071 0.000 0.979 423 D N 2.664 123.103 120.400 0.064 0.000 2.525 423 D HA 0.078 4.718 4.640 0.000 0.000 0.235 423 D C -1.927 174.409 176.300 0.059 0.000 1.137 423 D CA -0.223 53.812 54.000 0.059 0.000 0.868 423 D CB -0.822 40.006 40.800 0.047 0.000 1.180 423 D HN 0.242 nan 8.370 nan 0.000 0.465 424 P HA 0.104 nan 4.420 nan 0.000 0.271 424 P C -0.727 176.604 177.300 0.052 0.000 1.218 424 P CA -0.371 62.758 63.100 0.049 0.000 0.780 424 P CB 0.775 32.500 31.700 0.040 0.000 0.901 425 V N 3.776 123.722 119.914 0.053 0.000 2.525 425 V HA 0.396 4.516 4.120 0.000 0.000 0.299 425 V C -0.400 175.732 176.094 0.063 0.000 1.034 425 V CA -0.939 61.397 62.300 0.060 0.000 0.863 425 V CB 1.371 33.231 31.823 0.061 0.000 0.999 425 V HN 0.387 nan 8.190 nan 0.000 0.423 426 R N 4.473 125.016 120.500 0.071 0.000 2.308 426 R HA 0.414 4.754 4.340 0.000 0.000 0.305 426 R C -0.109 176.244 176.300 0.089 0.000 1.053 426 R CA -0.252 55.891 56.100 0.072 0.000 0.957 426 R CB 0.959 31.302 30.300 0.072 0.000 1.022 426 R HN 0.883 nan 8.270 nan 0.000 0.461 427 E N 2.859 123.101 120.200 0.069 0.000 2.242 427 E HA 0.312 4.662 4.350 0.000 0.000 0.275 427 E C -1.368 175.252 176.600 0.032 0.000 1.002 427 E CA -0.814 55.630 56.400 0.072 0.000 0.841 427 E CB 1.554 31.285 29.700 0.051 0.000 1.109 427 E HN 0.276 nan 8.360 nan 0.000 0.394 428 V N 2.775 122.695 119.914 0.011 0.000 2.407 428 V HA 0.483 4.603 4.120 0.000 0.000 0.291 428 V C -0.373 175.638 176.094 -0.137 0.000 1.018 428 V CA -0.801 61.419 62.300 -0.133 0.000 0.842 428 V CB 1.241 32.841 31.823 -0.373 0.000 0.996 428 V HN 0.782 nan 8.190 nan 0.000 0.426 429 A N 6.480 129.217 122.820 -0.139 0.000 2.302 429 A HA 0.729 5.049 4.320 0.000 0.000 0.295 429 A C -0.654 176.817 177.584 -0.188 0.000 1.235 429 A CA -0.325 51.631 52.037 -0.135 0.000 0.876 429 A CB 0.081 19.006 19.000 -0.125 0.000 1.133 429 A HN 0.598 nan 8.150 nan 0.000 0.533 430 L N 3.585 124.710 121.223 -0.163 0.000 2.275 430 L HA 0.254 4.594 4.340 0.000 0.000 0.288 430 L C 1.378 178.132 176.870 -0.192 0.000 1.046 430 L CA -0.021 54.707 54.840 -0.187 0.000 0.805 430 L CB 0.965 42.958 42.059 -0.109 0.000 1.193 430 L HN 0.834 nan 8.230 nan 0.000 0.426 431 L N 1.407 122.450 121.223 -0.301 0.000 2.023 431 L HA -0.030 4.310 4.340 0.000 0.000 0.205 431 L C 0.374 177.150 176.870 -0.157 0.000 1.073 431 L CA 1.428 56.103 54.840 -0.275 0.000 0.745 431 L CB 0.413 42.148 42.059 -0.540 0.000 0.900 431 L HN 0.797 nan 8.230 nan 0.000 0.435 432 D N -3.301 117.001 120.400 -0.163 0.000 2.809 432 D HA 0.199 4.839 4.640 0.000 0.000 0.336 432 D C -1.261 175.099 176.300 0.100 0.000 1.367 432 D CA -0.701 53.307 54.000 0.013 0.000 0.815 432 D CB 0.535 41.411 40.800 0.126 0.000 1.381 432 D HN -0.245 nan 8.370 nan 0.000 0.471 433 L N 0.999 122.257 121.223 0.058 0.000 2.461 433 L HA 0.341 4.681 4.340 0.000 0.000 0.272 433 L C 0.090 177.080 176.870 0.201 0.000 1.197 433 L CA -0.077 54.767 54.840 0.007 0.000 0.836 433 L CB 0.247 42.240 42.059 -0.110 0.000 1.105 433 L HN 0.504 nan 8.230 nan 0.000 0.477 434 L N 5.785 127.092 121.223 0.140 0.000 2.416 434 L HA 0.370 4.710 4.340 0.000 0.000 0.272 434 L C -2.080 174.757 176.870 -0.056 0.000 1.161 434 L CA -0.826 53.992 54.840 -0.038 0.000 0.845 434 L CB 0.340 42.347 42.059 -0.086 0.000 1.119 434 L HN 0.506 nan 8.230 nan 0.000 0.464 435 P HA 0.122 nan 4.420 nan 0.000 0.275 435 P C -1.046 176.227 177.300 -0.045 0.000 1.266 435 P CA -0.497 62.572 63.100 -0.051 0.000 0.793 435 P CB 0.342 32.001 31.700 -0.068 0.000 1.074 436 E N 1.298 121.495 120.200 -0.004 0.000 2.415 436 E HA -0.008 4.342 4.350 0.000 0.000 0.262 436 E C -1.558 175.022 176.600 -0.034 0.000 1.038 436 E CA -1.180 55.222 56.400 0.004 0.000 0.921 436 E CB -0.586 29.138 29.700 0.040 0.000 0.950 436 E HN 0.295 nan 8.360 nan 0.000 0.438 437 P HA -0.184 nan 4.420 nan 0.000 0.217 437 P C 1.258 178.515 177.300 -0.071 0.000 1.148 437 P CA 1.680 64.752 63.100 -0.046 0.000 0.834 437 P CB 0.151 31.837 31.700 -0.023 0.000 0.783 438 G N -0.653 108.105 108.800 -0.070 0.000 2.448 438 G HA2 -0.168 3.792 3.960 0.000 0.000 0.219 438 G HA3 -0.168 3.792 3.960 0.000 0.000 0.219 438 G C 1.194 175.997 174.900 -0.161 0.000 1.127 438 G CA 0.379 45.413 45.100 -0.111 0.000 0.766 438 G HN 0.191 nan 8.290 nan 0.000 0.552 439 L N 0.464 121.604 121.223 -0.138 0.000 2.592 439 L HA 0.329 4.669 4.340 0.000 0.000 0.227 439 L C 2.557 179.332 176.870 -0.158 0.000 1.127 439 L CA 0.283 55.038 54.840 -0.141 0.000 0.884 439 L CB -0.597 41.418 42.059 -0.074 0.000 1.065 439 L HN 0.242 nan 8.230 nan 0.000 0.457 440 L N 0.508 121.621 121.223 -0.184 0.000 2.042 440 L HA -0.190 4.150 4.340 0.000 0.000 0.210 440 L C -0.031 176.635 176.870 -0.339 0.000 1.076 440 L CA 1.646 56.357 54.840 -0.216 0.000 0.749 440 L CB -1.711 40.252 42.059 -0.160 0.000 0.893 440 L HN 0.222 nan 8.230 nan 0.000 0.432 441 P HA -0.215 nan 4.420 nan 0.000 0.214 441 P C 1.502 178.653 177.300 -0.249 0.000 1.163 441 P CA 1.205 63.826 63.100 -0.799 0.000 0.883 441 P CB 0.063 31.353 31.700 -0.683 0.000 0.788 442 Q N -0.186 119.518 119.800 -0.160 0.000 2.084 442 Q HA -0.116 4.224 4.340 0.000 0.000 0.202 442 Q C 1.902 177.899 176.000 -0.005 0.000 0.978 442 Q CA 1.696 57.467 55.803 -0.055 0.000 0.844 442 Q CB -1.315 27.392 28.738 -0.053 0.000 0.898 442 Q HN -0.025 nan 8.270 nan 0.000 0.426 443 V N 0.553 120.455 119.914 -0.020 0.000 2.343 443 V HA -0.221 3.899 4.120 0.000 0.000 0.247 443 V C 2.050 178.182 176.094 0.063 0.000 1.051 443 V CA 1.959 64.272 62.300 0.023 0.000 1.036 443 V CB -0.834 30.979 31.823 -0.017 0.000 0.654 443 V HN 0.446 nan 8.190 nan 0.000 0.451 444 F N 1.230 121.158 119.950 -0.037 0.000 2.134 444 F HA -0.181 4.346 4.527 0.000 0.000 0.299 444 F C 2.585 178.432 175.800 0.079 0.000 1.097 444 F CA 1.740 59.773 58.000 0.056 0.000 1.264 444 F CB -0.207 38.875 39.000 0.137 0.000 1.001 444 F HN -0.029 nan 8.300 nan 0.000 0.479 445 R N 0.204 120.785 120.500 0.135 0.000 2.092 445 R HA -0.121 4.219 4.340 0.000 0.000 0.231 445 R C 2.039 178.326 176.300 -0.023 0.000 1.119 445 R CA 1.667 57.804 56.100 0.061 0.000 0.970 445 R CB -0.468 29.900 30.300 0.113 0.000 0.864 445 R HN 0.440 nan 8.270 nan 0.000 0.440 446 E N 0.679 120.884 120.200 0.008 0.000 2.152 446 E HA -0.105 4.245 4.350 0.000 0.000 0.192 446 E C 1.900 178.521 176.600 0.035 0.000 0.983 446 E CA 0.685 57.119 56.400 0.056 0.000 0.818 446 E CB 0.026 29.785 29.700 0.098 0.000 0.758 446 E HN 0.295 nan 8.360 nan 0.000 0.467 447 L N 0.650 121.823 121.223 -0.084 0.000 2.291 447 L HA -0.074 4.266 4.340 0.000 0.000 0.214 447 L C 2.529 179.303 176.870 -0.160 0.000 1.120 447 L CA 0.400 55.152 54.840 -0.146 0.000 0.799 447 L CB -0.406 41.587 42.059 -0.110 0.000 0.925 447 L HN 0.134 nan 8.230 nan 0.000 0.446 448 A N 0.394 123.075 122.820 -0.231 0.000 1.927 448 A HA -0.219 4.101 4.320 0.000 0.000 0.220 448 A C 2.036 179.523 177.584 -0.162 0.000 1.185 448 A CA 1.454 53.350 52.037 -0.235 0.000 0.639 448 A CB -0.607 18.276 19.000 -0.194 0.000 0.820 448 A HN 0.314 nan 8.150 nan 0.000 0.451 449 L N -0.507 120.684 121.223 -0.054 0.000 2.633 449 L HA -0.036 4.305 4.340 0.000 0.000 0.235 449 L C 2.124 178.922 176.870 -0.119 0.000 1.163 449 L CA 0.904 55.710 54.840 -0.057 0.000 0.859 449 L CB -1.239 40.810 42.059 -0.016 0.000 0.973 449 L HN 0.443 nan 8.230 nan 0.000 0.451 450 L N -0.437 120.682 121.223 -0.172 0.000 2.240 450 L HA -0.081 4.259 4.340 0.000 0.000 0.211 450 L C 1.126 177.678 176.870 -0.531 0.000 1.106 450 L CA 0.097 54.753 54.840 -0.307 0.000 0.793 450 L CB 0.061 42.003 42.059 -0.194 0.000 0.927 450 L HN 0.181 nan 8.230 nan 0.000 0.446 451 E N 1.605 121.388 120.200 -0.695 0.000 2.442 451 E HA -0.007 4.343 4.350 0.000 0.000 0.262 451 E C -2.155 174.251 176.600 -0.324 0.000 1.004 451 E CA -1.439 54.542 56.400 -0.700 0.000 0.928 451 E CB 0.377 29.789 29.700 -0.481 0.000 0.937 451 E HN -0.042 nan 8.360 nan 0.000 0.446 452 P HA 0.038 nan 4.420 nan 0.000 0.282 452 P C -1.123 176.095 177.300 -0.136 0.000 1.262 452 P CA -0.082 62.909 63.100 -0.181 0.000 0.773 452 P CB 0.275 31.938 31.700 -0.062 0.000 0.879 453 Y N 2.266 122.587 120.300 0.035 0.000 2.314 453 Y HA 0.552 5.103 4.550 0.000 0.000 0.334 453 Y C 1.724 177.661 175.900 0.061 0.000 1.266 453 Y CA 1.157 59.287 58.100 0.050 0.000 1.391 453 Y CB 0.637 39.121 38.460 0.040 0.000 1.306 453 Y HN 0.776 nan 8.280 nan 0.000 0.558 454 G N 0.753 109.705 108.800 0.254 0.000 2.399 454 G HA2 0.065 4.025 3.960 0.000 0.000 0.256 454 G HA3 0.065 4.025 3.960 0.000 0.000 0.256 454 G C 0.103 175.068 174.900 0.108 0.000 1.236 454 G CA -0.207 44.982 45.100 0.149 0.000 0.914 454 G HN 0.373 nan 8.290 nan 0.000 0.482 455 E N 0.138 120.360 120.200 0.037 0.000 2.070 455 E HA -0.025 4.325 4.350 0.000 0.000 0.197 455 E C 2.370 178.978 176.600 0.013 0.000 1.004 455 E CA 3.115 59.513 56.400 -0.003 0.000 0.805 455 E CB -0.996 28.651 29.700 -0.088 0.000 0.744 455 E HN 0.745 nan 8.360 nan 0.000 0.451 456 G N 0.430 109.206 108.800 -0.039 0.000 2.639 456 G HA2 -0.290 3.670 3.960 0.000 0.000 0.216 456 G HA3 -0.290 3.670 3.960 0.000 0.000 0.216 456 G C 0.342 175.484 174.900 0.404 0.000 1.267 456 G CA 1.001 46.177 45.100 0.128 0.000 0.801 456 G HN 0.566 nan 8.290 nan 0.000 0.592 457 N N 1.009 119.913 118.700 0.340 0.000 2.479 457 N HA 0.503 5.244 4.740 0.000 0.000 0.261 457 N C -3.177 172.508 175.510 0.293 0.000 0.979 457 N CA -1.736 51.514 53.050 0.335 0.000 0.930 457 N CB 3.261 41.990 38.487 0.403 0.000 1.172 457 N HN 0.137 nan 8.380 nan 0.000 0.499 458 P HA 0.085 nan 4.420 nan 0.000 0.279 458 P C -0.587 176.632 177.300 -0.135 0.000 1.252 458 P CA -0.237 62.893 63.100 0.050 0.000 0.811 458 P CB 1.209 32.916 31.700 0.012 0.000 1.035 459 E N 2.798 122.720 120.200 -0.464 0.000 2.414 459 E HA 0.084 4.434 4.350 0.000 0.000 0.263 459 E C -1.664 174.698 176.600 -0.396 0.000 1.000 459 E CA -1.543 54.313 56.400 -0.906 0.000 0.914 459 E CB -0.015 29.147 29.700 -0.896 0.000 0.948 459 E HN 0.306 nan 8.360 nan 0.000 0.444 460 P HA 0.049 nan 4.420 nan 0.000 0.271 460 P C -0.877 176.254 177.300 -0.282 0.000 1.218 460 P CA 0.176 63.113 63.100 -0.273 0.000 0.780 460 P CB 0.678 32.210 31.700 -0.280 0.000 0.901 461 L N 2.272 123.290 121.223 -0.342 0.000 2.334 461 L HA 0.516 4.856 4.340 0.000 0.000 0.273 461 L C 0.152 176.772 176.870 -0.418 0.000 1.013 461 L CA -0.845 53.834 54.840 -0.268 0.000 0.816 461 L CB 0.932 42.847 42.059 -0.239 0.000 1.278 461 L HN 0.273 nan 8.230 nan 0.000 0.431 462 F N 1.747 121.645 119.950 -0.087 0.000 2.556 462 F HA 0.518 5.045 4.527 0.000 0.000 0.327 462 F C -0.248 175.510 175.800 -0.071 0.000 1.059 462 F CA -0.759 57.203 58.000 -0.062 0.000 0.953 462 F CB 1.897 40.881 39.000 -0.027 0.000 1.227 462 F HN 0.155 nan 8.300 nan 0.000 0.478 463 L N 3.460 124.770 121.223 0.146 0.000 2.287 463 L HA 0.620 4.960 4.340 0.000 0.000 0.287 463 L C -1.468 175.481 176.870 0.131 0.000 1.022 463 L CA -0.431 54.473 54.840 0.107 0.000 0.814 463 L CB 0.558 42.649 42.059 0.052 0.000 1.217 463 L HN 0.381 nan 8.230 nan 0.000 0.420 464 L N 5.928 127.264 121.223 0.188 0.000 2.334 464 L HA 0.634 4.974 4.340 0.000 0.000 0.273 464 L C -0.915 176.147 176.870 0.320 0.000 1.013 464 L CA -0.149 54.809 54.840 0.197 0.000 0.816 464 L CB 1.637 43.786 42.059 0.149 0.000 1.278 464 L HN 0.560 nan 8.230 nan 0.000 0.431 465 F N 1.093 121.144 119.950 0.169 0.000 2.588 465 F HA 0.803 5.330 4.527 0.000 0.000 0.314 465 F C -0.023 175.895 175.800 0.197 0.000 1.134 465 F CA -0.039 58.099 58.000 0.229 0.000 0.961 465 F CB 1.845 41.056 39.000 0.352 0.000 1.239 465 F HN 0.586 nan 8.300 nan 0.000 0.448 466 G N 2.407 111.196 108.800 -0.019 0.000 2.344 466 G HA2 0.559 4.519 3.960 0.000 0.000 0.282 466 G HA3 0.559 4.519 3.960 0.000 0.000 0.282 466 G C -2.123 172.758 174.900 -0.031 0.000 1.281 466 G CA -0.211 44.964 45.100 0.125 0.000 0.877 466 G HN 1.158 nan 8.290 nan 0.000 0.494 467 A N 1.316 124.162 122.820 0.043 0.000 2.276 467 A HA 0.828 5.148 4.320 0.000 0.000 0.316 467 A C -2.250 175.350 177.584 0.026 0.000 1.229 467 A CA -1.381 50.654 52.037 -0.002 0.000 0.851 467 A CB 0.851 19.860 19.000 0.016 0.000 1.165 467 A HN 0.533 nan 8.150 nan 0.000 0.513 468 P HA 0.202 nan 4.420 nan 0.000 0.276 468 P C -0.751 176.563 177.300 0.022 0.000 1.253 468 P CA 0.246 63.336 63.100 -0.016 0.000 0.766 468 P CB 0.772 32.169 31.700 -0.505 0.000 0.845 469 E N 1.629 121.905 120.200 0.127 0.000 2.320 469 E HA 0.313 4.663 4.350 0.000 0.000 0.264 469 E C -0.415 176.241 176.600 0.093 0.000 0.923 469 E CA -1.024 55.422 56.400 0.076 0.000 0.796 469 E CB 1.112 30.847 29.700 0.058 0.000 1.262 469 E HN 0.332 nan 8.360 nan 0.000 0.428 470 E N -1.120 119.108 120.200 0.046 0.000 2.722 470 E HA -0.256 4.094 4.350 0.000 0.000 0.265 470 E C -0.451 176.176 176.600 0.045 0.000 1.081 470 E CA 0.437 56.855 56.400 0.031 0.000 0.781 470 E CB -1.636 28.076 29.700 0.021 0.000 1.372 470 E HN 0.630 nan 8.360 nan 0.000 0.423 471 A N 1.760 124.614 122.820 0.056 0.000 2.548 471 A HA 0.221 4.541 4.320 0.000 0.000 0.247 471 A C 0.643 178.232 177.584 0.008 0.000 1.067 471 A CA 0.710 52.783 52.037 0.061 0.000 0.757 471 A CB 0.037 19.026 19.000 -0.018 0.000 0.996 471 A HN 0.359 nan 8.150 nan 0.000 0.504 472 R N 2.914 123.414 120.500 -0.001 0.000 2.515 472 R HA 0.520 4.860 4.340 0.000 0.000 0.291 472 R C -0.362 175.894 176.300 -0.074 0.000 1.046 472 R CA -0.830 55.245 56.100 -0.043 0.000 0.914 472 R CB 1.361 31.627 30.300 -0.057 0.000 1.191 472 R HN 0.729 nan 8.270 nan 0.000 0.435 473 R N 3.282 123.739 120.500 -0.073 0.000 2.738 473 R HA 0.240 4.580 4.340 0.000 0.000 0.268 473 R C -0.852 175.377 176.300 -0.119 0.000 1.062 473 R CA -0.145 55.900 56.100 -0.093 0.000 1.158 473 R CB 0.598 30.860 30.300 -0.063 0.000 1.046 473 R HN 0.763 nan 8.270 nan 0.000 0.493 474 L N 3.871 125.003 121.223 -0.150 0.000 2.514 474 L HA 0.417 4.757 4.340 0.000 0.000 0.257 474 L C 0.128 176.952 176.870 -0.076 0.000 1.101 474 L CA -0.259 54.493 54.840 -0.147 0.000 0.911 474 L CB 1.442 43.338 42.059 -0.270 0.000 1.162 474 L HN 1.094 nan 8.230 nan 0.000 0.477 475 G N 1.250 110.026 108.800 -0.040 0.000 2.250 475 G HA2 -0.053 3.907 3.960 0.000 0.000 0.252 475 G HA3 -0.053 3.907 3.960 0.000 0.000 0.252 475 G C -0.500 174.396 174.900 -0.006 0.000 1.325 475 G CA -0.582 44.515 45.100 -0.005 0.000 1.091 475 G HN 0.273 nan 8.290 nan 0.000 0.476 476 E N 0.822 121.028 120.200 0.010 0.000 2.734 476 E HA 0.475 4.825 4.350 0.000 0.000 0.211 476 E C 0.631 177.241 176.600 0.017 0.000 0.991 476 E CA 0.704 57.110 56.400 0.010 0.000 1.065 476 E CB 0.910 30.620 29.700 0.016 0.000 1.047 476 E HN 1.499 nan 8.360 nan 0.000 0.470 477 G N -0.126 108.684 108.800 0.017 0.000 2.322 477 G HA2 0.199 4.159 3.960 0.000 0.000 0.295 477 G HA3 0.199 4.159 3.960 0.000 0.000 0.295 477 G C -0.054 174.866 174.900 0.032 0.000 1.369 477 G CA -0.438 44.681 45.100 0.032 0.000 0.821 477 G HN -0.042 nan 8.290 nan 0.000 0.536 478 R N -0.826 119.713 120.500 0.065 0.000 1.896 478 R HA -0.279 4.061 4.340 0.000 0.000 0.151 478 R C 1.232 177.500 176.300 -0.053 0.000 0.916 478 R CA 2.388 58.546 56.100 0.095 0.000 0.266 478 R CB -1.912 28.563 30.300 0.292 0.000 0.578 478 R HN 0.790 nan 8.270 nan 0.000 0.235 479 H N 1.612 120.404 119.070 -0.463 0.000 3.064 479 H HA 0.313 4.869 4.556 0.000 0.000 0.329 479 H C 0.410 175.492 175.328 -0.411 0.000 1.020 479 H CA 0.753 56.306 56.048 -0.824 0.000 1.402 479 H CB 0.137 29.293 29.762 -1.010 0.000 1.379 479 H HN 0.332 nan 8.280 nan 0.000 0.594 480 L N 1.659 122.645 121.223 -0.394 0.000 2.933 480 L HA 0.832 5.172 4.340 0.000 0.000 0.271 480 L C -2.039 174.692 176.870 -0.232 0.000 1.071 480 L CA -1.020 53.671 54.840 -0.248 0.000 0.938 480 L CB 1.736 43.754 42.059 -0.069 0.000 1.534 480 L HN 0.600 nan 8.230 nan 0.000 0.396 481 A N 0.537 123.303 122.820 -0.091 0.000 2.587 481 A HA 0.983 5.303 4.320 0.000 0.000 0.293 481 A C -1.250 176.398 177.584 0.108 0.000 1.087 481 A CA -0.166 51.812 52.037 -0.097 0.000 0.692 481 A CB 1.686 20.565 19.000 -0.202 0.000 1.291 481 A HN 1.591 nan 8.150 nan 0.000 0.407 482 F N -1.234 118.659 119.950 -0.095 0.000 2.978 482 F HA 0.787 5.314 4.527 0.000 0.000 0.324 482 F C -1.170 174.602 175.800 -0.048 0.000 1.157 482 F CA -1.167 56.793 58.000 -0.067 0.000 0.879 482 F CB 0.872 39.839 39.000 -0.056 0.000 1.364 482 F HN 0.621 nan 8.300 nan 0.000 0.465 483 R N 1.162 121.748 120.500 0.144 0.000 2.686 483 R HA 0.790 5.130 4.340 0.000 0.000 0.286 483 R C -1.828 174.569 176.300 0.162 0.000 0.969 483 R CA -0.995 55.113 56.100 0.014 0.000 0.898 483 R CB 2.533 32.840 30.300 0.012 0.000 1.183 483 R HN 0.713 nan 8.270 nan 0.000 0.456 484 L N 2.913 124.182 121.223 0.075 0.000 2.345 484 L HA 0.336 4.676 4.340 0.000 0.000 0.274 484 L C -0.260 176.667 176.870 0.094 0.000 0.999 484 L CA -0.554 54.371 54.840 0.141 0.000 0.849 484 L CB 1.277 43.439 42.059 0.171 0.000 1.220 484 L HN 0.692 nan 8.230 nan 0.000 0.422 485 K N 2.893 123.353 120.400 0.100 0.000 3.148 485 K HA -0.244 4.076 4.320 0.000 0.000 0.267 485 K C 0.867 177.497 176.600 0.051 0.000 0.996 485 K CA 0.601 56.939 56.287 0.084 0.000 0.737 485 K CB -1.346 31.219 32.500 0.109 0.000 1.308 485 K HN 1.145 nan 8.250 nan 0.000 0.470 486 G N -1.290 107.532 108.800 0.036 0.000 2.195 486 G HA2 -0.282 3.678 3.960 0.000 0.000 0.246 486 G HA3 -0.282 3.678 3.960 0.000 0.000 0.246 486 G C -0.019 174.877 174.900 -0.007 0.000 0.984 486 G CA 0.098 45.207 45.100 0.014 0.000 0.633 486 G HN 0.903 nan 8.290 nan 0.000 0.525 487 V N -0.141 119.763 119.914 -0.017 0.000 2.495 487 V HA 0.836 4.957 4.120 0.000 0.000 0.298 487 V C 0.371 176.407 176.094 -0.096 0.000 1.031 487 V CA -0.884 61.388 62.300 -0.046 0.000 0.871 487 V CB 1.572 33.369 31.823 -0.044 0.000 0.988 487 V HN 0.498 nan 8.190 nan 0.000 0.432 488 R N 3.816 124.246 120.500 -0.116 0.000 2.389 488 R HA 0.637 4.977 4.340 0.000 0.000 0.295 488 R C -0.873 175.276 176.300 -0.253 0.000 1.075 488 R CA -0.005 55.982 56.100 -0.188 0.000 1.005 488 R CB 1.475 31.680 30.300 -0.157 0.000 0.987 488 R HN 0.871 nan 8.270 nan 0.000 0.452 489 V N 6.271 125.922 119.914 -0.438 0.000 2.604 489 V HA 0.528 4.648 4.120 0.000 0.000 0.305 489 V C -1.256 174.562 176.094 -0.460 0.000 1.043 489 V CA -0.818 61.205 62.300 -0.461 0.000 0.888 489 V CB 1.742 33.199 31.823 -0.610 0.000 0.995 489 V HN 0.706 nan 8.190 nan 0.000 0.429 490 L N 6.264 127.342 121.223 -0.242 0.000 2.334 490 L HA 1.031 5.371 4.340 0.000 0.000 0.276 490 L C 0.106 176.955 176.870 -0.036 0.000 1.014 490 L CA 0.195 54.932 54.840 -0.172 0.000 0.815 490 L CB 1.854 43.839 42.059 -0.123 0.000 1.268 490 L HN 1.053 nan 8.230 nan 0.000 0.428 491 A N 1.362 124.170 122.820 -0.019 0.000 2.566 491 A HA 0.641 4.961 4.320 0.000 0.000 0.290 491 A C -2.437 175.159 177.584 0.020 0.000 1.071 491 A CA -0.634 51.487 52.037 0.141 0.000 0.658 491 A CB 0.689 19.818 19.000 0.215 0.000 1.285 491 A HN 0.577 nan 8.150 nan 0.000 0.427 492 W N 1.574 122.977 121.300 0.171 0.000 2.296 492 W HA 0.560 5.220 4.660 0.000 0.000 0.333 492 W C 0.339 176.923 176.519 0.109 0.000 0.931 492 W CA -0.653 56.776 57.345 0.140 0.000 1.538 492 W CB 1.222 30.719 29.460 0.062 0.000 1.417 492 W HN 0.655 nan 8.180 nan 0.000 0.380 493 K N 3.143 123.654 120.400 0.186 0.000 2.405 493 K HA -0.120 4.201 4.320 0.000 0.000 0.273 493 K C 0.558 177.250 176.600 0.155 0.000 1.116 493 K CA 0.613 56.984 56.287 0.139 0.000 1.155 493 K CB 0.358 32.896 32.500 0.064 0.000 0.858 493 K HN 0.461 nan 8.250 nan 0.000 0.477 494 Q N 3.830 123.718 119.800 0.147 0.000 2.359 494 Q HA 0.177 4.517 4.340 0.000 0.000 0.249 494 Q C 0.457 176.509 176.000 0.086 0.000 1.181 494 Q CA 0.186 56.065 55.803 0.127 0.000 0.897 494 Q CB -0.048 28.765 28.738 0.124 0.000 1.424 494 Q HN 0.814 nan 8.270 nan 0.000 0.478 495 G N 3.327 112.176 108.800 0.082 0.000 2.296 495 G HA2 -0.254 3.706 3.960 0.000 0.000 0.263 495 G HA3 -0.254 3.706 3.960 0.000 0.000 0.263 495 G C -0.029 174.894 174.900 0.038 0.000 0.887 495 G CA 0.492 45.627 45.100 0.057 0.000 1.318 495 G HN 0.850 nan 8.290 nan 0.000 0.403 496 D N -1.050 119.368 120.400 0.031 0.000 2.854 496 D HA -0.116 4.524 4.640 0.000 0.000 0.696 496 D C 1.101 177.401 176.300 -0.000 0.000 0.361 496 D CA 0.494 54.500 54.000 0.011 0.000 1.171 496 D CB -0.706 40.096 40.800 0.002 0.000 1.222 496 D HN 0.983 nan 8.370 nan 0.000 0.304 497 L N 0.533 121.757 121.223 0.002 0.000 0.591 497 L HA -0.125 4.215 4.340 0.000 0.000 0.356 497 L C 0.120 176.965 176.870 -0.042 0.000 1.007 497 L CA 0.860 55.690 54.840 -0.016 0.000 1.223 497 L CB -0.642 41.410 42.059 -0.011 0.000 0.022 497 L HN 0.590 nan 8.230 nan 0.000 0.093 498 A N 0.437 123.218 122.820 -0.065 0.000 1.822 498 A HA -0.024 4.296 4.320 0.000 0.000 0.430 498 A C -0.482 177.034 177.584 -0.113 0.000 0.670 498 A CA 0.278 52.264 52.037 -0.085 0.000 0.445 498 A CB -0.814 18.149 19.000 -0.060 0.000 2.517 498 A HN 0.766 nan 8.150 nan 0.000 0.345 499 L N 4.574 125.692 121.223 -0.175 0.000 2.395 499 L HA 0.532 4.872 4.340 0.000 0.000 0.269 499 L C -0.926 175.846 176.870 -0.163 0.000 1.133 499 L CA -1.282 53.430 54.840 -0.214 0.000 0.812 499 L CB -0.245 41.577 42.059 -0.395 0.000 1.125 499 L HN 0.743 nan 8.230 nan 0.000 0.452 500 P HA 0.137 nan 4.420 nan 0.000 0.271 500 P C -1.994 175.234 177.300 -0.120 0.000 1.244 500 P CA -1.015 62.017 63.100 -0.112 0.000 0.793 500 P CB -0.185 31.453 31.700 -0.103 0.000 0.984 501 P HA -0.136 nan 4.420 nan 0.000 0.217 501 P C 0.261 177.505 177.300 -0.092 0.000 1.148 501 P CA 1.644 64.699 63.100 -0.076 0.000 0.834 501 P CB 0.412 32.082 31.700 -0.049 0.000 0.783 502 E N -0.505 119.622 120.200 -0.121 0.000 2.272 502 E HA 0.415 4.765 4.350 0.000 0.000 0.269 502 E C -1.006 175.430 176.600 -0.274 0.000 0.877 502 E CA -0.933 55.354 56.400 -0.188 0.000 0.755 502 E CB 2.718 32.327 29.700 -0.151 0.000 1.192 502 E HN -0.197 nan 8.360 nan 0.000 0.422 503 V N -0.266 119.438 119.914 -0.350 0.000 3.074 503 V HA 0.651 4.771 4.120 0.000 0.000 0.314 503 V C -0.566 175.317 176.094 -0.352 0.000 1.117 503 V CA -0.879 61.251 62.300 -0.283 0.000 1.014 503 V CB 2.034 33.771 31.823 -0.144 0.000 1.057 503 V HN 0.673 nan 8.190 nan 0.000 0.438 504 E N 0.519 120.644 120.200 -0.125 0.000 2.234 504 E HA 0.761 5.111 4.350 0.000 0.000 0.266 504 E C -1.737 175.138 176.600 0.458 0.000 0.877 504 E CA -0.617 55.853 56.400 0.116 0.000 0.758 504 E CB 2.451 32.178 29.700 0.045 0.000 1.170 504 E HN 0.682 nan 8.360 nan 0.000 0.415 505 V N 1.628 121.854 119.914 0.520 0.000 2.789 505 V HA 0.672 4.792 4.120 0.000 0.000 0.311 505 V C -0.742 175.424 176.094 0.120 0.000 1.073 505 V CA -0.862 61.686 62.300 0.412 0.000 0.921 505 V CB 1.856 33.836 31.823 0.262 0.000 1.009 505 V HN 0.756 nan 8.190 nan 0.000 0.426 506 A N 2.794 125.485 122.820 -0.216 0.000 2.277 506 A HA 0.899 5.219 4.320 0.000 0.000 0.318 506 A C 0.156 177.643 177.584 -0.162 0.000 1.339 506 A CA 0.084 51.870 52.037 -0.419 0.000 0.875 506 A CB 0.689 19.129 19.000 -0.934 0.000 1.158 506 A HN 1.216 nan 8.150 nan 0.000 0.514 507 G N 0.994 109.769 108.800 -0.042 0.000 2.642 507 G HA2 0.582 4.542 3.960 0.000 0.000 0.293 507 G HA3 0.582 4.542 3.960 0.000 0.000 0.293 507 G C -0.948 173.996 174.900 0.074 0.000 1.341 507 G CA -0.805 44.303 45.100 0.013 0.000 0.916 507 G HN 0.638 nan 8.290 nan 0.000 0.474 508 L N 0.687 121.945 121.223 0.059 0.000 2.326 508 L HA 0.417 4.757 4.340 0.000 0.000 0.278 508 L C 0.345 177.299 176.870 0.140 0.000 1.092 508 L CA -0.689 54.208 54.840 0.095 0.000 0.810 508 L CB 1.633 43.713 42.059 0.036 0.000 1.153 508 L HN 0.281 nan 8.230 nan 0.000 0.439 509 L N 2.896 124.255 121.223 0.227 0.000 2.315 509 L HA 0.267 4.607 4.340 0.000 0.000 0.283 509 L C -0.260 176.761 176.870 0.251 0.000 1.089 509 L CA 0.185 55.142 54.840 0.196 0.000 0.833 509 L CB 0.776 42.960 42.059 0.209 0.000 1.170 509 L HN 0.701 nan 8.230 nan 0.000 0.442 510 S N 3.995 119.746 115.700 0.085 0.000 2.578 510 S HA 0.352 4.822 4.470 0.000 0.000 0.301 510 S C -0.625 173.759 174.600 -0.360 0.000 1.091 510 S CA -0.649 57.524 58.200 -0.044 0.000 1.032 510 S CB 1.893 65.063 63.200 -0.050 0.000 1.064 510 S HN 0.643 nan 8.310 nan 0.000 0.508 511 E N 2.018 121.826 120.200 -0.654 0.000 2.183 511 E HA 0.200 4.550 4.350 0.000 0.000 0.250 511 E C -1.211 175.081 176.600 -0.513 0.000 0.901 511 E CA -0.606 55.209 56.400 -0.976 0.000 0.741 511 E CB 0.156 29.048 29.700 -1.346 0.000 1.182 511 E HN 0.409 nan 8.360 nan 0.000 0.425 512 N N 2.992 121.441 118.700 -0.419 0.000 2.500 512 N HA 0.209 4.949 4.740 0.000 0.000 0.236 512 N C -0.731 174.699 175.510 -0.133 0.000 1.022 512 N CA -0.167 52.761 53.050 -0.204 0.000 0.935 512 N CB 1.578 39.977 38.487 -0.145 0.000 1.147 512 N HN 0.420 nan 8.380 nan 0.000 0.512 513 A N 2.796 125.570 122.820 -0.076 0.000 2.409 513 A HA 0.364 4.684 4.320 0.000 0.000 0.262 513 A C -0.583 177.078 177.584 0.127 0.000 1.113 513 A CA -0.439 51.584 52.037 -0.023 0.000 0.790 513 A CB 0.514 19.481 19.000 -0.056 0.000 1.046 513 A HN 0.729 nan 8.150 nan 0.000 0.496 514 W N 3.483 124.730 121.300 -0.089 0.000 3.405 514 W HA 0.303 4.963 4.660 -0.000 0.000 0.329 514 W C -0.117 176.368 176.519 -0.057 0.000 1.142 514 W CA -0.489 56.820 57.345 -0.061 0.000 1.235 514 W CB 0.968 30.402 29.460 -0.043 0.000 1.341 514 W HN 1.061 nan 8.180 nan 0.000 0.481 515 N N 3.447 121.657 118.700 -0.817 0.000 2.721 515 N HA -0.227 4.513 4.740 0.000 0.000 0.249 515 N C 0.785 176.016 175.510 -0.464 0.000 1.072 515 N CA 2.969 55.683 53.050 -0.560 0.000 0.710 515 N CB -1.100 37.206 38.487 -0.302 0.000 0.993 515 N HN 1.289 nan 8.380 nan 0.000 0.547 516 G N -2.208 106.335 108.800 -0.428 0.000 2.184 516 G HA2 -0.331 3.629 3.960 0.000 0.000 0.264 516 G HA3 -0.331 3.629 3.960 0.000 0.000 0.264 516 G C -0.070 174.497 174.900 -0.554 0.000 0.975 516 G CA 0.745 45.557 45.100 -0.481 0.000 0.642 516 G HN 0.848 nan 8.290 nan 0.000 0.536 517 H N -0.917 118.135 119.070 -0.030 0.000 2.679 517 H HA 0.738 5.295 4.556 0.000 0.000 0.367 517 H C 0.313 175.626 175.328 -0.025 0.000 1.162 517 H CA -1.031 55.012 56.048 -0.009 0.000 1.181 517 H CB 1.542 31.315 29.762 0.019 0.000 1.693 517 H HN 0.207 nan 8.280 nan 0.000 0.538 518 L N 1.275 122.535 121.223 0.061 0.000 2.344 518 L HA 0.794 5.134 4.340 0.000 0.000 0.272 518 L C -0.155 176.616 176.870 -0.165 0.000 1.035 518 L CA -0.991 53.773 54.840 -0.126 0.000 0.807 518 L CB 1.445 43.374 42.059 -0.218 0.000 1.237 518 L HN 0.654 nan 8.230 nan 0.000 0.442 519 A N 1.547 124.157 122.820 -0.351 0.000 2.422 519 A HA 0.729 5.049 4.320 0.000 0.000 0.302 519 A C -1.758 175.516 177.584 -0.516 0.000 1.041 519 A CA -0.380 51.499 52.037 -0.263 0.000 0.708 519 A CB 0.958 19.875 19.000 -0.137 0.000 1.257 519 A HN 0.549 nan 8.150 nan 0.000 0.414 520 Y N 1.615 121.840 120.300 -0.125 0.000 2.334 520 Y HA 0.518 5.068 4.550 0.000 0.000 0.336 520 Y C 0.534 176.357 175.900 -0.128 0.000 0.960 520 Y CA -0.106 57.898 58.100 -0.161 0.000 1.164 520 Y CB 1.448 39.820 38.460 -0.147 0.000 1.155 520 Y HN 0.808 nan 8.280 nan 0.000 0.478 521 E N 0.626 120.798 120.200 -0.047 0.000 2.458 521 E HA 0.704 5.054 4.350 0.000 0.000 0.278 521 E C -1.785 174.782 176.600 -0.056 0.000 1.004 521 E CA -1.293 55.068 56.400 -0.064 0.000 0.823 521 E CB 2.060 31.695 29.700 -0.107 0.000 1.396 521 E HN 0.168 nan 8.360 nan 0.000 0.463 522 V N 1.123 120.994 119.914 -0.072 0.000 2.427 522 V HA 0.231 4.351 4.120 0.000 0.000 0.286 522 V C -0.486 175.579 176.094 -0.049 0.000 1.034 522 V CA -0.647 61.628 62.300 -0.042 0.000 0.893 522 V CB 1.218 33.017 31.823 -0.039 0.000 0.982 522 V HN 0.598 nan 8.190 nan 0.000 0.452 523 Q N 3.654 123.453 119.800 -0.002 0.000 2.390 523 Q HA 0.586 4.926 4.340 0.000 0.000 0.249 523 Q C -0.033 175.991 176.000 0.040 0.000 0.996 523 Q CA -0.168 55.649 55.803 0.024 0.000 0.899 523 Q CB 1.063 29.824 28.738 0.038 0.000 1.216 523 Q HN 0.946 nan 8.270 nan 0.000 0.465 524 A N 3.309 126.162 122.820 0.055 0.000 2.488 524 A HA 0.298 4.618 4.320 0.000 0.000 0.249 524 A C 0.879 178.519 177.584 0.093 0.000 1.083 524 A CA 0.269 52.355 52.037 0.081 0.000 0.768 524 A CB 0.211 19.290 19.000 0.132 0.000 1.017 524 A HN 0.985 nan 8.150 nan 0.000 0.496 525 V N -0.855 119.081 119.914 0.038 0.000 3.431 525 V HA 0.300 4.420 4.120 0.000 0.000 0.253 525 V C 0.277 176.400 176.094 0.047 0.000 1.184 525 V CA 1.119 63.431 62.300 0.021 0.000 1.104 525 V CB -0.028 31.769 31.823 -0.044 0.000 0.799 525 V HN 0.752 nan 8.190 nan 0.000 0.462 526 D N -0.684 119.749 120.400 0.054 0.000 2.661 526 D HA 0.619 5.259 4.640 0.000 0.000 0.228 526 D C -1.662 174.827 176.300 0.315 0.000 1.210 526 D CA -0.303 53.801 54.000 0.173 0.000 0.826 526 D CB 2.610 43.508 40.800 0.165 0.000 1.542 526 D HN 0.328 nan 8.370 nan 0.000 0.447 527 L N 2.305 123.773 121.223 0.407 0.000 2.505 527 L HA 0.752 5.092 4.340 0.000 0.000 0.259 527 L C -1.567 175.455 176.870 0.253 0.000 0.952 527 L CA -0.461 54.606 54.840 0.380 0.000 0.840 527 L CB 1.663 43.885 42.059 0.271 0.000 1.358 527 L HN 0.758 nan 8.230 nan 0.000 0.409 528 R N 2.448 123.022 120.500 0.124 0.000 2.774 528 R HA 0.317 4.657 4.340 0.000 0.000 0.279 528 R C -1.994 174.227 176.300 -0.132 0.000 1.022 528 R CA -1.133 54.938 56.100 -0.048 0.000 0.855 528 R CB 1.341 31.533 30.300 -0.180 0.000 1.279 528 R HN 0.534 nan 8.270 nan 0.000 0.485 529 K N 1.612 121.930 120.400 -0.137 0.000 2.326 529 K HA 0.252 4.572 4.320 0.000 0.000 0.275 529 K C -2.107 174.390 176.600 -0.171 0.000 1.018 529 K CA -1.286 54.916 56.287 -0.141 0.000 0.962 529 K CB 0.588 33.026 32.500 -0.102 0.000 0.953 529 K HN 0.307 nan 8.250 nan 0.000 0.475 530 P HA -0.079 nan 4.420 nan 0.000 0.263 530 P C -1.127 176.133 177.300 -0.066 0.000 1.175 530 P CA 0.641 63.707 63.100 -0.058 0.000 0.761 530 P CB 0.530 32.290 31.700 0.100 0.000 0.794 531 E N 0.581 120.731 120.200 -0.082 0.000 2.456 531 E HA 0.590 4.940 4.350 0.000 0.000 0.276 531 E C -0.817 175.774 176.600 -0.014 0.000 0.981 531 E CA -1.321 55.029 56.400 -0.084 0.000 0.814 531 E CB 1.655 31.249 29.700 -0.176 0.000 1.382 531 E HN 0.342 nan 8.360 nan 0.000 0.459 532 A N 1.332 124.151 122.820 -0.002 0.000 2.511 532 A HA 0.275 4.595 4.320 0.000 0.000 0.242 532 A C -0.386 177.263 177.584 0.108 0.000 1.069 532 A CA 0.303 52.373 52.037 0.055 0.000 0.763 532 A CB -0.182 18.831 19.000 0.022 0.000 1.001 532 A HN 0.405 nan 8.150 nan 0.000 0.498 533 L N 1.848 123.209 121.223 0.231 0.000 2.325 533 L HA 0.443 4.783 4.340 0.000 0.000 0.278 533 L C 0.111 177.170 176.870 0.315 0.000 1.023 533 L CA -0.634 54.362 54.840 0.260 0.000 0.811 533 L CB 1.623 43.825 42.059 0.238 0.000 1.249 533 L HN 0.701 nan 8.230 nan 0.000 0.431 534 E N 1.074 121.410 120.200 0.227 0.000 2.313 534 E HA 0.733 5.083 4.350 0.000 0.000 0.272 534 E C 0.007 176.701 176.600 0.156 0.000 1.038 534 E CA 0.281 56.797 56.400 0.192 0.000 0.863 534 E CB 1.721 31.506 29.700 0.143 0.000 1.060 534 E HN 0.730 nan 8.360 nan 0.000 0.402 535 G N 0.374 109.269 108.800 0.159 0.000 2.340 535 G HA2 0.480 4.440 3.960 0.000 0.000 0.527 535 G HA3 0.480 4.440 3.960 0.000 0.000 0.527 535 G C -0.113 174.872 174.900 0.142 0.000 1.381 535 G CA -0.043 45.122 45.100 0.108 0.000 1.001 535 G HN 1.076 nan 8.290 nan 0.000 0.626 536 G N -1.321 107.535 108.800 0.093 0.000 2.525 536 G HA2 0.483 4.443 3.960 0.000 0.000 0.685 536 G HA3 0.483 4.443 3.960 0.000 0.000 0.685 536 G C 0.034 174.989 174.900 0.091 0.000 1.290 536 G CA 0.081 45.240 45.100 0.098 0.000 0.915 536 G HN 2.268 nan 8.290 nan 0.000 0.548 537 I N -1.757 118.865 120.570 0.087 0.000 3.205 537 I HA 0.857 5.027 4.170 0.000 0.000 0.310 537 I C 0.951 177.122 176.117 0.091 0.000 1.089 537 I CA -0.865 60.491 61.300 0.092 0.000 1.023 537 I CB 1.589 39.655 38.000 0.110 0.000 1.269 537 I HN 1.658 nan 8.210 nan 0.000 0.512 538 A N 2.538 125.418 122.820 0.101 0.000 2.537 538 A HA 0.367 4.687 4.320 0.000 0.000 0.260 538 A C -2.221 175.437 177.584 0.123 0.000 1.082 538 A CA -0.836 51.261 52.037 0.100 0.000 0.765 538 A CB -1.372 17.692 19.000 0.106 0.000 1.019 538 A HN 0.578 nan 8.150 nan 0.000 0.507 539 P HA 0.147 nan 4.420 nan 0.000 0.265 539 P C 0.086 177.449 177.300 0.105 0.000 1.187 539 P CA 0.421 63.457 63.100 -0.106 0.000 0.766 539 P CB 0.091 31.595 31.700 -0.327 0.000 0.820 540 F N -0.000 119.923 119.950 -0.045 0.000 2.885 540 F HA 0.572 5.099 4.527 0.000 0.000 0.389 540 F C -0.292 175.584 175.800 0.127 0.000 0.904 540 F CA -0.371 57.702 58.000 0.122 0.000 1.047 540 F CB -0.092 38.962 39.000 0.090 0.000 1.113 540 F HN 0.266 nan 8.300 nan 0.000 0.579 541 A N 1.033 123.327 122.820 -0.876 0.000 2.291 541 A HA 0.701 5.021 4.320 0.000 0.000 0.311 541 A C -2.085 175.314 177.584 -0.308 0.000 1.224 541 A CA -0.327 51.380 52.037 -0.550 0.000 0.821 541 A CB 0.016 18.555 19.000 -0.768 0.000 1.172 541 A HN 0.300 nan 8.150 nan 0.000 0.494 542 Y N 2.660 122.818 120.300 -0.237 0.000 2.356 542 Y HA 0.390 4.940 4.550 0.000 0.000 0.334 542 Y C -2.386 173.299 175.900 -0.357 0.000 0.958 542 Y CA -2.776 55.171 58.100 -0.255 0.000 1.196 542 Y CB 1.177 39.514 38.460 -0.204 0.000 1.137 542 Y HN 0.499 nan 8.280 nan 0.000 0.485 543 P HA -0.058 nan 4.420 nan 0.000 0.258 543 P C -0.823 176.215 177.300 -0.437 0.000 1.172 543 P CA 0.426 63.122 63.100 -0.672 0.000 0.762 543 P CB 0.449 31.611 31.700 -0.896 0.000 0.764 544 L N 7.484 128.513 121.223 -0.324 0.000 2.381 544 L HA 0.596 4.936 4.340 0.000 0.000 0.274 544 L C -2.592 174.171 176.870 -0.177 0.000 0.988 544 L CA -2.737 51.976 54.840 -0.211 0.000 0.824 544 L CB 1.834 43.832 42.059 -0.103 0.000 1.263 544 L HN 0.181 nan 8.230 nan 0.000 0.410 545 P HA -0.002 nan 4.420 nan 0.000 0.265 545 P C 0.544 177.844 177.300 0.000 0.000 1.187 545 P CA -0.093 62.943 63.100 -0.107 0.000 0.766 545 P CB 0.579 32.211 31.700 -0.114 0.000 0.820 546 L N 4.419 125.683 121.223 0.068 0.000 2.012 546 L HA -0.198 4.142 4.340 0.000 0.000 0.210 546 L C 1.892 178.769 176.870 0.011 0.000 1.073 546 L CA 1.924 56.797 54.840 0.054 0.000 0.748 546 L CB -1.052 41.037 42.059 0.050 0.000 0.891 546 L HN 0.365 nan 8.230 nan 0.000 0.431 547 L N -1.031 120.192 121.223 -0.000 0.000 2.046 547 L HA -0.221 4.119 4.340 0.000 0.000 0.208 547 L C 2.522 179.382 176.870 -0.016 0.000 1.077 547 L CA 1.601 56.436 54.840 -0.008 0.000 0.747 547 L CB -0.776 41.278 42.059 -0.009 0.000 0.896 547 L HN 0.364 nan 8.230 nan 0.000 0.432 548 E N 0.182 120.366 120.200 -0.026 0.000 2.110 548 E HA -0.214 4.136 4.350 0.000 0.000 0.193 548 E C 2.265 178.842 176.600 -0.039 0.000 0.988 548 E CA 1.147 57.525 56.400 -0.037 0.000 0.804 548 E CB -0.064 29.604 29.700 -0.052 0.000 0.745 548 E HN 0.499 nan 8.360 nan 0.000 0.458 549 A N 0.735 123.539 122.820 -0.028 0.000 1.929 549 A HA -0.098 4.222 4.320 0.000 0.000 0.216 549 A C 2.102 179.652 177.584 -0.058 0.000 1.176 549 A CA 0.779 52.799 52.037 -0.028 0.000 0.628 549 A CB -0.384 18.622 19.000 0.010 0.000 0.816 549 A HN 0.133 nan 8.150 nan 0.000 0.444 550 L N -0.877 120.320 121.223 -0.044 0.000 2.156 550 L HA -0.114 4.226 4.340 0.000 0.000 0.208 550 L C 3.048 179.869 176.870 -0.081 0.000 1.095 550 L CA 0.722 55.527 54.840 -0.059 0.000 0.770 550 L CB -0.530 41.536 42.059 0.012 0.000 0.914 550 L HN 0.444 nan 8.230 nan 0.000 0.439 551 A N 0.696 123.488 122.820 -0.047 0.000 1.841 551 A HA -0.242 4.078 4.320 0.000 0.000 0.216 551 A C 2.356 179.894 177.584 -0.076 0.000 1.199 551 A CA 1.744 53.759 52.037 -0.038 0.000 0.621 551 A CB -0.566 18.419 19.000 -0.025 0.000 0.835 551 A HN 0.285 nan 8.150 nan 0.000 0.445 552 R N -0.480 119.969 120.500 -0.083 0.000 2.103 552 R HA -0.145 4.195 4.340 0.000 0.000 0.242 552 R C 2.435 178.642 176.300 -0.155 0.000 1.142 552 R CA 1.382 57.427 56.100 -0.091 0.000 0.960 552 R CB -0.576 29.680 30.300 -0.072 0.000 0.858 552 R HN 0.543 nan 8.270 nan 0.000 0.439 553 A N 1.104 123.766 122.820 -0.264 0.000 1.908 553 A HA -0.188 4.132 4.320 0.000 0.000 0.218 553 A C 2.077 179.288 177.584 -0.622 0.000 1.181 553 A CA 1.374 53.086 52.037 -0.542 0.000 0.627 553 A CB -0.384 18.093 19.000 -0.871 0.000 0.818 553 A HN 0.230 nan 8.150 nan 0.000 0.445 554 R N -1.272 118.994 120.500 -0.390 0.000 2.115 554 R HA -0.014 4.326 4.340 0.000 0.000 0.230 554 R C 1.502 177.787 176.300 -0.025 0.000 1.111 554 R CA 0.901 56.944 56.100 -0.095 0.000 0.976 554 R CB -0.337 29.991 30.300 0.046 0.000 0.870 554 R HN 0.364 nan 8.270 nan 0.000 0.445 555 L N -0.392 120.799 121.223 -0.053 0.000 2.456 555 L HA 0.035 4.375 4.340 0.000 0.000 0.224 555 L C 1.284 178.147 176.870 -0.012 0.000 1.148 555 L CA 1.630 56.457 54.840 -0.020 0.000 0.825 555 L CB -0.552 41.490 42.059 -0.027 0.000 0.937 555 L HN 0.527 nan 8.230 nan 0.000 0.450 556 G N -0.672 108.110 108.800 -0.030 0.000 2.138 556 G HA2 -0.246 3.714 3.960 0.000 0.000 0.193 556 G HA3 -0.246 3.714 3.960 0.000 0.000 0.193 556 G C 0.340 175.239 174.900 -0.002 0.000 0.998 556 G CA 0.133 45.236 45.100 0.005 0.000 0.668 556 G HN 0.362 nan 8.290 nan 0.000 0.516 557 E N 0.450 120.629 120.200 -0.035 0.000 2.398 557 E HA 0.460 4.810 4.350 0.000 0.000 0.263 557 E C 1.258 177.868 176.600 0.017 0.000 1.046 557 E CA 0.100 56.492 56.400 -0.013 0.000 0.908 557 E CB 0.294 29.975 29.700 -0.032 0.000 0.963 557 E HN 0.513 nan 8.360 nan 0.000 0.431 558 G N 2.666 111.495 108.800 0.048 0.000 2.307 558 G HA2 0.321 4.281 3.960 0.000 0.000 0.271 558 G HA3 0.321 4.281 3.960 0.000 0.000 0.271 558 G C -0.277 174.697 174.900 0.122 0.000 1.191 558 G CA 0.050 45.203 45.100 0.088 0.000 1.024 558 G HN 0.389 nan 8.290 nan 0.000 0.441 559 V N 1.412 121.412 119.914 0.144 0.000 3.046 559 V HA 0.860 4.980 4.120 0.000 0.000 0.316 559 V C -1.127 175.135 176.094 0.280 0.000 1.104 559 V CA -1.723 60.698 62.300 0.201 0.000 1.006 559 V CB 1.976 33.862 31.823 0.105 0.000 1.058 559 V HN 0.642 nan 8.190 nan 0.000 0.440 560 Y N 1.380 121.785 120.300 0.174 0.000 2.373 560 Y HA 0.800 5.351 4.550 0.000 0.000 0.336 560 Y C -1.272 174.658 175.900 0.050 0.000 0.979 560 Y CA -0.888 57.258 58.100 0.076 0.000 1.080 560 Y CB 2.077 40.517 38.460 -0.033 0.000 1.190 560 Y HN 0.628 nan 8.280 nan 0.000 0.446 561 V N 8.909 128.485 119.914 -0.564 0.000 2.409 561 V HA 0.413 4.533 4.120 0.000 0.000 0.290 561 V C -2.228 173.383 176.094 -0.806 0.000 1.017 561 V CA -1.890 60.113 62.300 -0.495 0.000 0.841 561 V CB 1.473 33.130 31.823 -0.277 0.000 1.003 561 V HN 0.717 nan 8.190 nan 0.000 0.426 562 P HA 0.108 nan 4.420 nan 0.000 0.268 562 P C 0.637 177.783 177.300 -0.256 0.000 1.205 562 P CA 0.003 62.823 63.100 -0.467 0.000 0.771 562 P CB 1.107 32.742 31.700 -0.108 0.000 0.858 563 E N 0.616 120.718 120.200 -0.163 0.000 2.284 563 E HA -0.155 4.195 4.350 0.000 0.000 0.200 563 E C 0.229 176.800 176.600 -0.047 0.000 1.008 563 E CA 1.241 57.594 56.400 -0.078 0.000 0.829 563 E CB -0.358 29.335 29.700 -0.010 0.000 0.744 563 E HN 0.595 nan 8.360 nan 0.000 0.491 564 D N 1.072 121.448 120.400 -0.040 0.000 2.341 564 D HA 0.002 4.642 4.640 0.000 0.000 0.245 564 D C 0.560 176.836 176.300 -0.040 0.000 1.106 564 D CA -0.226 53.765 54.000 -0.015 0.000 0.905 564 D CB 0.406 41.213 40.800 0.012 0.000 1.202 564 D HN 0.073 nan 8.370 nan 0.000 0.426 565 N N 0.840 119.526 118.700 -0.022 0.000 2.708 565 N HA -0.135 4.605 4.740 0.000 0.000 0.255 565 N C -1.857 173.621 175.510 -0.054 0.000 1.046 565 N CA -0.517 52.514 53.050 -0.031 0.000 0.715 565 N CB -0.228 38.235 38.487 -0.040 0.000 0.895 565 N HN 0.171 nan 8.380 nan 0.000 0.545 566 P HA -0.100 nan 4.420 nan 0.000 0.236 566 P C 0.888 178.178 177.300 -0.016 0.000 1.172 566 P CA 0.694 63.769 63.100 -0.042 0.000 0.759 566 P CB 0.131 31.880 31.700 0.082 0.000 0.843 567 E N -0.147 120.048 120.200 -0.008 0.000 2.106 567 E HA -0.104 4.246 4.350 0.000 0.000 0.192 567 E C 1.997 178.593 176.600 -0.006 0.000 0.984 567 E CA 1.304 57.711 56.400 0.012 0.000 0.806 567 E CB -0.555 29.148 29.700 0.006 0.000 0.750 567 E HN 0.205 nan 8.360 nan 0.000 0.458 568 G N 0.874 109.640 108.800 -0.056 0.000 2.441 568 G HA2 -0.167 3.793 3.960 0.000 0.000 0.212 568 G HA3 -0.167 3.793 3.960 0.000 0.000 0.212 568 G C 1.403 176.220 174.900 -0.139 0.000 1.164 568 G CA 0.201 45.258 45.100 -0.072 0.000 0.811 568 G HN 0.273 nan 8.290 nan 0.000 0.535 569 L N 0.864 121.926 121.223 -0.268 0.000 2.450 569 L HA 0.033 4.373 4.340 0.000 0.000 0.224 569 L C 1.847 178.254 176.870 -0.771 0.000 1.149 569 L CA 1.707 56.184 54.840 -0.605 0.000 0.816 569 L CB -0.191 41.439 42.059 -0.715 0.000 0.932 569 L HN 0.268 nan 8.230 nan 0.000 0.449 570 D N -1.686 118.573 120.400 -0.235 0.000 2.214 570 D HA -0.242 4.398 4.640 0.000 0.000 0.217 570 D C 1.990 178.311 176.300 0.034 0.000 0.973 570 D CA 0.783 54.846 54.000 0.105 0.000 0.880 570 D CB -0.208 40.700 40.800 0.180 0.000 1.031 570 D HN 0.452 nan 8.370 nan 0.000 0.468 571 Y N 1.469 121.689 120.300 -0.133 0.000 2.298 571 Y HA -0.249 4.301 4.550 -0.000 0.000 0.287 571 Y C 2.047 177.696 175.900 -0.418 0.000 1.164 571 Y CA 1.952 59.947 58.100 -0.175 0.000 1.229 571 Y CB -0.113 38.277 38.460 -0.118 0.000 0.977 571 Y HN 0.063 nan 8.280 nan 0.000 0.538 572 A N 0.013 122.616 122.820 -0.361 0.000 1.854 572 A HA -0.134 4.186 4.320 0.000 0.000 0.214 572 A C 1.989 179.209 177.584 -0.607 0.000 1.192 572 A CA 1.278 52.773 52.037 -0.902 0.000 0.611 572 A CB -1.300 17.387 19.000 -0.520 0.000 0.832 572 A HN 0.677 nan 8.150 nan 0.000 0.442 573 W N 0.341 121.470 121.300 -0.285 0.000 2.333 573 W HA -0.133 4.527 4.660 -0.000 0.000 0.316 573 W C 2.123 178.506 176.519 -0.226 0.000 1.215 573 W CA 1.850 59.081 57.345 -0.190 0.000 1.278 573 W CB -1.021 28.371 29.460 -0.115 0.000 1.154 573 W HN 0.230 nan 8.180 nan 0.000 0.486 574 K N 0.285 120.686 120.400 0.001 0.000 2.074 574 K HA -0.142 4.178 4.320 0.000 0.000 0.209 574 K C 2.151 178.618 176.600 -0.221 0.000 1.048 574 K CA 2.105 58.325 56.287 -0.112 0.000 0.926 574 K CB -0.996 31.413 32.500 -0.151 0.000 0.713 574 K HN 0.047 nan 8.250 nan 0.000 0.444 575 A N -0.769 121.793 122.820 -0.429 0.000 2.169 575 A HA 0.262 4.582 4.320 0.000 0.000 0.212 575 A C 1.290 178.782 177.584 -0.154 0.000 1.153 575 A CA 0.896 52.690 52.037 -0.405 0.000 0.756 575 A CB -0.395 18.188 19.000 -0.694 0.000 0.813 575 A HN 0.364 nan 8.150 nan 0.000 0.471 576 G N -1.144 107.577 108.800 -0.132 0.000 2.171 576 G HA2 -0.243 3.717 3.960 0.000 0.000 0.238 576 G HA3 -0.243 3.717 3.960 0.000 0.000 0.238 576 G C 0.036 175.081 174.900 0.241 0.000 1.039 576 G CA -0.090 45.046 45.100 0.060 0.000 0.759 576 G HN 0.423 nan 8.290 nan 0.000 0.501 577 F N -0.401 119.575 119.950 0.043 0.000 2.553 577 F HA 0.167 4.694 4.527 0.000 0.000 0.356 577 F C 1.657 177.490 175.800 0.055 0.000 1.142 577 F CA -0.555 57.471 58.000 0.043 0.000 1.322 577 F CB 0.537 39.555 39.000 0.029 0.000 1.126 577 F HN 0.051 nan 8.300 nan 0.000 0.599 578 R N 3.814 124.460 120.500 0.244 0.000 4.154 578 R HA 0.083 4.423 4.340 0.000 0.000 0.186 578 R C -0.451 175.947 176.300 0.164 0.000 1.750 578 R CA -0.568 55.630 56.100 0.164 0.000 1.431 578 R CB -0.567 29.801 30.300 0.113 0.000 1.383 578 R HN 0.443 nan 8.270 nan 0.000 0.788 579 L N 3.408 124.738 121.223 0.178 0.000 2.615 579 L HA -0.015 4.325 4.340 0.000 0.000 0.284 579 L C 0.108 177.062 176.870 0.140 0.000 1.237 579 L CA 1.258 56.182 54.840 0.141 0.000 0.905 579 L CB 0.101 42.219 42.059 0.098 0.000 1.149 579 L HN 0.542 nan 8.230 nan 0.000 0.499 580 L N 5.331 126.650 121.223 0.159 0.000 2.409 580 L HA 0.539 4.879 4.340 0.000 0.000 0.255 580 L C -2.327 174.686 176.870 0.238 0.000 1.027 580 L CA -1.723 53.221 54.840 0.174 0.000 0.834 580 L CB 2.927 45.088 42.059 0.171 0.000 1.426 580 L HN 0.441 nan 8.230 nan 0.000 0.411 581 P HA 0.142 nan 4.420 nan 0.000 0.275 581 P C -2.338 175.015 177.300 0.088 0.000 1.228 581 P CA -1.404 61.809 63.100 0.189 0.000 0.786 581 P CB 0.708 32.465 31.700 0.095 0.000 0.927 582 P HA -0.225 nan 4.420 nan 0.000 0.217 582 P C 1.252 178.522 177.300 -0.051 0.000 1.151 582 P CA 1.839 64.475 63.100 -0.772 0.000 0.849 582 P CB -0.096 30.537 31.700 -1.779 0.000 0.787 583 E N 1.207 121.386 120.200 -0.035 0.000 2.409 583 E HA -0.187 4.163 4.350 0.000 0.000 0.198 583 E C 1.460 178.135 176.600 0.124 0.000 1.024 583 E CA 1.196 57.644 56.400 0.080 0.000 0.861 583 E CB -0.533 29.177 29.700 0.017 0.000 0.788 583 E HN 0.584 nan 8.360 nan 0.000 0.521 584 E N 0.290 120.567 120.200 0.127 0.000 2.541 584 E HA 0.354 4.704 4.350 0.000 0.000 0.219 584 E C 0.339 177.037 176.600 0.163 0.000 0.922 584 E CA 0.016 56.492 56.400 0.127 0.000 1.095 584 E CB 0.430 30.185 29.700 0.093 0.000 1.112 584 E HN 0.158 nan 8.360 nan 0.000 0.516 585 A N 1.121 124.082 122.820 0.235 0.000 2.309 585 A HA 0.565 4.885 4.320 0.000 0.000 0.298 585 A C 0.975 178.735 177.584 0.295 0.000 1.165 585 A CA -0.019 52.178 52.037 0.266 0.000 0.821 585 A CB 0.954 20.157 19.000 0.339 0.000 1.102 585 A HN 0.294 nan 8.150 nan 0.000 0.500 586 G N 0.727 109.625 108.800 0.163 0.000 3.088 586 G HA2 0.379 4.339 3.960 0.000 0.000 0.212 586 G HA3 0.379 4.339 3.960 0.000 0.000 0.212 586 G C -0.090 174.812 174.900 0.003 0.000 1.173 586 G CA 0.364 45.501 45.100 0.060 0.000 0.779 586 G HN 0.606 nan 8.290 nan 0.000 0.540 587 L N 0.087 121.390 121.223 0.133 0.000 2.438 587 L HA 0.762 5.102 4.340 0.000 0.000 0.270 587 L C -2.031 175.101 176.870 0.437 0.000 0.972 587 L CA -1.429 53.492 54.840 0.135 0.000 0.831 587 L CB 1.486 43.600 42.059 0.092 0.000 1.273 587 L HN -0.031 nan 8.230 nan 0.000 0.405 588 W N 5.846 127.241 121.300 0.158 0.000 2.736 588 W HA 0.539 5.199 4.660 0.000 0.000 0.335 588 W C 0.123 176.756 176.519 0.190 0.000 1.059 588 W CA -0.932 56.566 57.345 0.255 0.000 1.226 588 W CB 1.563 31.185 29.460 0.269 0.000 1.416 588 W HN 0.387 nan 8.180 nan 0.000 0.505 589 L N 2.340 123.804 121.223 0.402 0.000 2.693 589 L HA 0.462 4.802 4.340 0.000 0.000 0.235 589 L C 0.935 177.913 176.870 0.179 0.000 1.127 589 L CA 0.217 55.187 54.840 0.217 0.000 0.914 589 L CB -0.024 42.116 42.059 0.135 0.000 1.193 589 L HN 0.497 nan 8.230 nan 0.000 0.502 590 G N -0.251 108.720 108.800 0.284 0.000 2.606 590 G HA2 0.527 4.487 3.960 0.000 0.000 0.300 590 G HA3 0.527 4.487 3.960 0.000 0.000 0.300 590 G C -1.634 173.474 174.900 0.347 0.000 1.360 590 G CA -0.690 44.535 45.100 0.208 0.000 0.783 590 G HN -0.128 nan 8.290 nan 0.000 0.484 591 L N 2.043 123.414 121.223 0.246 0.000 2.275 591 L HA 0.415 4.755 4.340 0.000 0.000 0.288 591 L C -1.897 175.194 176.870 0.369 0.000 1.046 591 L CA -1.749 53.274 54.840 0.305 0.000 0.805 591 L CB 1.789 43.898 42.059 0.084 0.000 1.193 591 L HN 0.278 nan 8.230 nan 0.000 0.426 592 P HA 0.132 nan 4.420 nan 0.000 0.271 592 P C -2.173 175.302 177.300 0.291 0.000 1.218 592 P CA -1.420 61.766 63.100 0.142 0.000 0.780 592 P CB 0.460 31.911 31.700 -0.415 0.000 0.901 593 P HA -0.032 nan 4.420 nan 0.000 0.222 593 P C 0.485 177.774 177.300 -0.019 0.000 1.153 593 P CA 1.231 64.417 63.100 0.143 0.000 0.798 593 P CB 0.749 32.489 31.700 0.066 0.000 0.796 594 R N 0.294 120.598 120.500 -0.325 0.000 2.803 594 R HA 0.464 4.805 4.340 0.000 0.000 0.276 594 R C -2.522 173.047 176.300 -1.218 0.000 0.978 594 R CA -2.687 53.085 56.100 -0.547 0.000 0.939 594 R CB 1.794 31.905 30.300 -0.315 0.000 1.179 594 R HN -0.144 nan 8.270 nan 0.000 0.472 595 P HA -0.039 nan 4.420 nan 0.000 0.266 595 P C -0.907 175.975 177.300 -0.697 0.000 1.193 595 P CA 0.077 62.215 63.100 -1.603 0.000 0.770 595 P CB 0.632 31.825 31.700 -0.845 0.000 0.836 596 V N 3.750 123.466 119.914 -0.331 0.000 2.538 596 V HA 0.142 4.262 4.120 0.000 0.000 0.265 596 V C 0.100 176.208 176.094 0.023 0.000 0.977 596 V CA -0.522 61.734 62.300 -0.073 0.000 0.852 596 V CB 1.048 32.897 31.823 0.043 0.000 1.058 596 V HN 0.363 nan 8.190 nan 0.000 0.462 597 L N 1.712 122.870 121.223 -0.108 0.000 2.416 597 L HA 0.801 5.141 4.340 0.000 0.000 0.263 597 L C 1.460 178.275 176.870 -0.092 0.000 1.065 597 L CA 0.580 55.290 54.840 -0.216 0.000 0.798 597 L CB 0.561 42.486 42.059 -0.223 0.000 1.267 597 L HN 0.786 nan 8.230 nan 0.000 0.467 598 G N 0.847 109.596 108.800 -0.085 0.000 2.160 598 G HA2 -0.250 3.710 3.960 0.000 0.000 0.251 598 G HA3 -0.250 3.710 3.960 0.000 0.000 0.251 598 G C 0.406 175.332 174.900 0.044 0.000 1.008 598 G CA -0.095 45.001 45.100 -0.006 0.000 0.724 598 G HN 0.426 nan 8.290 nan 0.000 0.514 599 R N 0.081 120.623 120.500 0.070 0.000 2.443 599 R HA 0.235 4.575 4.340 0.000 0.000 0.287 599 R C 0.080 176.504 176.300 0.207 0.000 1.425 599 R CA -0.908 55.281 56.100 0.149 0.000 1.300 599 R CB 0.783 31.226 30.300 0.237 0.000 1.129 599 R HN 0.194 nan 8.270 nan 0.000 0.577 600 R N 3.340 123.934 120.500 0.157 0.000 2.357 600 R HA 0.101 4.441 4.340 0.000 0.000 0.330 600 R C -0.299 176.025 176.300 0.040 0.000 1.102 600 R CA 0.223 56.423 56.100 0.166 0.000 0.974 600 R CB -0.300 30.055 30.300 0.091 0.000 1.002 600 R HN 0.350 nan 8.270 nan 0.000 0.463 601 V N 0.519 120.434 119.914 0.002 0.000 3.126 601 V HA 0.613 4.733 4.120 0.000 0.000 0.314 601 V C -0.413 175.561 176.094 -0.201 0.000 1.138 601 V CA -1.058 61.106 62.300 -0.226 0.000 1.034 601 V CB 2.406 33.834 31.823 -0.658 0.000 1.075 601 V HN 0.563 nan 8.190 nan 0.000 0.442 602 E N 0.932 120.984 120.200 -0.247 0.000 2.145 602 E HA 0.660 5.010 4.350 0.000 0.000 0.270 602 E C -1.413 175.100 176.600 -0.144 0.000 0.906 602 E CA -0.613 55.699 56.400 -0.147 0.000 0.761 602 E CB 2.232 31.865 29.700 -0.111 0.000 1.116 602 E HN 0.630 nan 8.360 nan 0.000 0.408 603 V N 1.835 121.702 119.914 -0.079 0.000 2.555 603 V HA 0.760 4.880 4.120 0.000 0.000 0.302 603 V C -0.247 175.921 176.094 0.123 0.000 1.038 603 V CA -0.714 61.635 62.300 0.081 0.000 0.887 603 V CB 1.599 33.560 31.823 0.231 0.000 0.991 603 V HN 0.768 nan 8.190 nan 0.000 0.434 604 A N 3.453 126.400 122.820 0.212 0.000 2.454 604 A HA 0.890 5.210 4.320 0.000 0.000 0.302 604 A C -0.188 177.463 177.584 0.112 0.000 1.079 604 A CA -0.466 51.722 52.037 0.251 0.000 0.731 604 A CB 1.713 20.803 19.000 0.150 0.000 1.299 604 A HN 0.744 nan 8.150 nan 0.000 0.413 605 L N 0.880 122.033 121.223 -0.117 0.000 2.590 605 L HA 0.571 4.911 4.340 0.000 0.000 0.181 605 L C 1.386 178.164 176.870 -0.153 0.000 1.134 605 L CA 0.829 55.492 54.840 -0.294 0.000 0.850 605 L CB 0.184 41.785 42.059 -0.762 0.000 1.172 605 L HN 1.083 nan 8.230 nan 0.000 0.498 606 G N -0.857 107.861 108.800 -0.137 0.000 2.384 606 G HA2 0.037 3.997 3.960 0.000 0.000 0.150 606 G HA3 0.037 3.997 3.960 0.000 0.000 0.150 606 G C -0.272 174.613 174.900 -0.025 0.000 1.269 606 G CA 0.196 45.266 45.100 -0.049 0.000 1.094 606 G HN 0.070 nan 8.290 nan 0.000 0.467 607 R N -1.741 118.739 120.500 -0.034 0.000 4.137 607 R HA 0.297 4.637 4.340 0.000 0.000 0.082 607 R C 1.579 177.863 176.300 -0.026 0.000 0.716 607 R CA 1.479 57.570 56.100 -0.016 0.000 1.733 607 R CB -0.624 29.676 30.300 -0.001 0.000 1.564 607 R HN 0.360 nan 8.270 nan 0.000 0.427 608 E N 1.125 121.305 120.200 -0.033 0.000 2.364 608 E HA 0.461 4.811 4.350 0.000 0.000 0.196 608 E C 0.035 176.609 176.600 -0.044 0.000 0.990 608 E CA 0.612 56.993 56.400 -0.032 0.000 0.886 608 E CB 0.367 30.048 29.700 -0.033 0.000 0.866 608 E HN 0.441 nan 8.360 nan 0.000 0.493 609 A N 1.677 124.463 122.820 -0.056 0.000 2.622 609 A HA -0.195 4.125 4.320 0.000 0.000 0.235 609 A C 1.168 178.718 177.584 -0.057 0.000 1.013 609 A CA 0.478 52.476 52.037 -0.064 0.000 0.765 609 A CB 0.268 19.224 19.000 -0.074 0.000 0.921 609 A HN 0.118 nan 8.150 nan 0.000 0.506 610 R N 2.289 122.760 120.500 -0.050 0.000 2.148 610 R HA -0.124 4.216 4.340 0.000 0.000 0.227 610 R C 2.354 178.627 176.300 -0.045 0.000 1.103 610 R CA 1.346 57.423 56.100 -0.039 0.000 0.983 610 R CB -0.642 29.640 30.300 -0.030 0.000 0.874 610 R HN 0.866 nan 8.270 nan 0.000 0.451 611 A N 1.317 124.103 122.820 -0.057 0.000 1.877 611 A HA -0.173 4.147 4.320 0.000 0.000 0.216 611 A C 2.077 179.595 177.584 -0.111 0.000 1.186 611 A CA 1.125 53.120 52.037 -0.070 0.000 0.620 611 A CB -0.539 18.422 19.000 -0.066 0.000 0.822 611 A HN 0.192 nan 8.150 nan 0.000 0.443 612 R N -0.248 120.176 120.500 -0.127 0.000 2.417 612 R HA -0.061 4.279 4.340 0.000 0.000 0.220 612 R C -0.124 176.118 176.300 -0.097 0.000 1.128 612 R CA 0.227 56.241 56.100 -0.144 0.000 1.048 612 R CB -0.343 29.883 30.300 -0.124 0.000 0.835 612 R HN 0.302 nan 8.270 nan 0.000 0.483 613 L N 1.195 122.371 121.223 -0.078 0.000 2.955 613 L HA 0.086 4.426 4.340 0.000 0.000 0.238 613 L C 0.328 177.159 176.870 -0.065 0.000 1.359 613 L CA 0.795 55.605 54.840 -0.049 0.000 1.214 613 L CB 0.346 42.389 42.059 -0.027 0.000 1.600 613 L HN 0.053 nan 8.230 nan 0.000 0.442 614 S N -0.420 115.216 115.700 -0.106 0.000 2.572 614 S HA 0.185 4.655 4.470 0.000 0.000 0.228 614 S C 1.727 176.330 174.600 0.004 0.000 0.963 614 S CA 0.340 58.433 58.200 -0.179 0.000 0.939 614 S CB 0.805 63.844 63.200 -0.268 0.000 0.804 614 S HN 0.533 nan 8.310 nan 0.000 0.480 615 A N 2.325 125.150 122.820 0.009 0.000 2.169 615 A HA 0.253 4.573 4.320 0.000 0.000 0.210 615 A C -1.450 176.163 177.584 0.049 0.000 1.168 615 A CA -0.018 52.041 52.037 0.037 0.000 0.813 615 A CB -0.596 18.415 19.000 0.017 0.000 0.861 615 A HN 0.396 nan 8.150 nan 0.000 0.481 616 P HA 0.421 nan 4.420 nan 0.000 0.292 616 P C -2.747 174.575 177.300 0.036 0.000 1.283 616 P CA -1.099 62.025 63.100 0.039 0.000 0.835 616 P CB 1.210 32.927 31.700 0.028 0.000 1.017 617 P HA 0.107 nan 4.420 nan 0.000 0.275 617 P C 0.127 177.364 177.300 -0.104 0.000 1.270 617 P CA -0.266 62.802 63.100 -0.054 0.000 0.791 617 P CB 0.674 32.362 31.700 -0.019 0.000 1.089 618 V N -2.590 117.177 119.914 -0.245 0.000 7.022 618 V HA 0.405 4.525 4.120 0.000 0.000 0.242 618 V C 0.375 176.344 176.094 -0.208 0.000 1.627 618 V CA -0.630 61.552 62.300 -0.197 0.000 0.737 618 V CB -0.173 31.544 31.823 -0.177 0.000 1.827 618 V HN 0.278 nan 8.190 nan 0.000 0.336 619 L N 1.278 122.390 121.223 -0.185 0.000 2.839 619 L HA 0.518 4.858 4.340 0.000 0.000 0.259 619 L C 0.949 177.784 176.870 -0.058 0.000 1.369 619 L CA -0.639 54.150 54.840 -0.085 0.000 0.845 619 L CB -0.528 41.505 42.059 -0.043 0.000 1.181 619 L HN 0.645 nan 8.230 nan 0.000 0.529 620 H N 0.913 119.967 119.070 -0.027 0.000 1.455 620 H HA -0.408 4.148 4.556 0.000 0.000 0.090 620 H C 1.975 177.282 175.328 -0.035 0.000 0.954 620 H CA 2.277 58.306 56.048 -0.032 0.000 1.901 620 H CB -0.622 29.125 29.762 -0.026 0.000 2.257 620 H HN 0.534 nan 8.280 nan 0.000 0.961 621 T N 0.832 115.481 114.554 0.159 0.000 9.700 621 T HA -0.269 4.082 4.350 0.000 0.000 0.364 621 T C -1.547 173.167 174.700 0.023 0.000 1.428 621 T CA 2.639 64.776 62.100 0.061 0.000 2.245 621 T CB -1.669 67.223 68.868 0.040 0.000 2.685 621 T HN 0.400 nan 8.240 nan 0.000 1.033 622 P HA 0.260 nan 4.420 nan 0.000 0.318 622 P C 0.376 177.645 177.300 -0.053 0.000 1.309 622 P CA 0.253 63.338 63.100 -0.024 0.000 0.736 622 P CB 0.023 31.705 31.700 -0.030 0.000 1.440 623 E N -0.534 119.620 120.200 -0.077 0.000 2.428 623 E HA -0.023 4.327 4.350 0.000 0.000 0.199 623 E C 1.005 177.516 176.600 -0.149 0.000 1.172 623 E CA 0.539 56.864 56.400 -0.126 0.000 0.941 623 E CB -0.957 28.666 29.700 -0.129 0.000 1.001 623 E HN 0.273 nan 8.360 nan 0.000 0.501 624 A N 1.073 123.821 122.820 -0.120 0.000 2.021 624 A HA 0.045 4.365 4.320 0.000 0.000 0.216 624 A C 2.102 179.589 177.584 -0.161 0.000 1.163 624 A CA 0.341 52.292 52.037 -0.143 0.000 0.676 624 A CB -0.084 18.844 19.000 -0.121 0.000 0.818 624 A HN 0.204 nan 8.150 nan 0.000 0.453 625 R N -0.556 119.876 120.500 -0.115 0.000 2.189 625 R HA 0.015 4.355 4.340 0.000 0.000 0.223 625 R C 1.917 178.130 176.300 -0.145 0.000 1.092 625 R CA 0.790 56.840 56.100 -0.083 0.000 0.989 625 R CB -0.378 29.913 30.300 -0.016 0.000 0.876 625 R HN 0.547 nan 8.270 nan 0.000 0.457 626 L N 1.145 122.229 121.223 -0.231 0.000 2.023 626 L HA -0.185 4.155 4.340 0.000 0.000 0.205 626 L C 2.544 179.200 176.870 -0.356 0.000 1.073 626 L CA 1.553 56.164 54.840 -0.382 0.000 0.745 626 L CB -0.321 41.451 42.059 -0.478 0.000 0.900 626 L HN 0.090 nan 8.230 nan 0.000 0.435 627 K N 0.046 120.244 120.400 -0.337 0.000 2.063 627 K HA -0.213 4.107 4.320 0.000 0.000 0.208 627 K C 1.904 178.184 176.600 -0.533 0.000 1.048 627 K CA 1.551 57.578 56.287 -0.433 0.000 0.928 627 K CB -0.140 32.107 32.500 -0.422 0.000 0.713 627 K HN 0.393 nan 8.250 nan 0.000 0.442 628 A N 1.675 124.286 122.820 -0.348 0.000 1.933 628 A HA -0.131 4.189 4.320 0.000 0.000 0.218 628 A C 2.142 179.684 177.584 -0.070 0.000 1.175 628 A CA 1.398 53.313 52.037 -0.202 0.000 0.628 628 A CB -0.599 18.330 19.000 -0.118 0.000 0.814 628 A HN 0.501 nan 8.150 nan 0.000 0.444 629 L N -0.195 120.988 121.223 -0.068 0.000 2.056 629 L HA -0.117 4.223 4.340 0.000 0.000 0.207 629 L C 2.292 179.204 176.870 0.069 0.000 1.078 629 L CA 1.556 56.415 54.840 0.031 0.000 0.749 629 L CB -0.257 41.837 42.059 0.059 0.000 0.901 629 L HN 0.196 nan 8.230 nan 0.000 0.433 630 V N 0.051 119.969 119.914 0.007 0.000 2.287 630 V HA -0.345 3.775 4.120 0.000 0.000 0.248 630 V C 2.321 178.544 176.094 0.214 0.000 1.053 630 V CA 2.333 64.694 62.300 0.102 0.000 1.027 630 V CB -1.101 30.762 31.823 0.066 0.000 0.646 630 V HN 0.589 nan 8.190 nan 0.000 0.447 631 H N -0.286 118.831 119.070 0.077 0.000 2.353 631 H HA -0.173 4.383 4.556 0.000 0.000 0.300 631 H C 2.619 177.992 175.328 0.076 0.000 1.090 631 H CA 1.497 57.592 56.048 0.078 0.000 1.327 631 H CB 0.002 29.806 29.762 0.070 0.000 1.383 631 H HN 0.278 nan 8.280 nan 0.000 0.508 632 R N 1.252 121.878 120.500 0.209 0.000 2.091 632 R HA -0.143 4.197 4.340 0.000 0.000 0.238 632 R C 2.185 178.600 176.300 0.191 0.000 1.136 632 R CA 1.008 57.208 56.100 0.166 0.000 0.959 632 R CB -0.022 30.352 30.300 0.124 0.000 0.856 632 R HN 0.168 nan 8.270 nan 0.000 0.437 633 R N 0.933 121.542 120.500 0.182 0.000 2.070 633 R HA -0.090 4.251 4.340 0.000 0.000 0.233 633 R C 2.441 178.881 176.300 0.233 0.000 1.137 633 R CA 1.358 57.579 56.100 0.203 0.000 0.945 633 R CB -0.981 29.416 30.300 0.162 0.000 0.845 633 R HN 0.337 nan 8.270 nan 0.000 0.430 634 L N 0.570 121.890 121.223 0.163 0.000 1.997 634 L HA -0.264 4.076 4.340 0.000 0.000 0.216 634 L C 2.474 179.498 176.870 0.256 0.000 1.074 634 L CA 1.188 56.117 54.840 0.149 0.000 0.763 634 L CB -0.517 41.531 42.059 -0.019 0.000 0.890 634 L HN 0.199 nan 8.230 nan 0.000 0.434 635 L N -1.197 120.132 121.223 0.178 0.000 2.079 635 L HA -0.279 4.061 4.340 0.000 0.000 0.210 635 L C 2.496 179.477 176.870 0.186 0.000 1.081 635 L CA 1.920 56.857 54.840 0.161 0.000 0.752 635 L CB -1.200 40.928 42.059 0.115 0.000 0.896 635 L HN 0.241 nan 8.230 nan 0.000 0.433 636 F N 0.809 120.801 119.950 0.070 0.000 2.075 636 F HA -0.187 4.340 4.527 -0.000 0.000 0.297 636 F C 2.436 178.229 175.800 -0.011 0.000 1.113 636 F CA 1.525 59.521 58.000 -0.007 0.000 1.218 636 F CB -0.268 38.726 39.000 -0.010 0.000 0.984 636 F HN 0.039 nan 8.300 nan 0.000 0.472 637 A N -0.960 121.888 122.820 0.046 0.000 1.969 637 A HA -0.220 4.100 4.320 0.000 0.000 0.218 637 A C 2.125 179.645 177.584 -0.106 0.000 1.169 637 A CA 1.522 53.551 52.037 -0.013 0.000 0.635 637 A CB -1.616 17.529 19.000 0.241 0.000 0.810 637 A HN 0.648 nan 8.150 nan 0.000 0.445 638 Y N 0.821 121.045 120.300 -0.127 0.000 2.163 638 Y HA -0.184 4.366 4.550 0.000 0.000 0.288 638 Y C 2.237 177.952 175.900 -0.309 0.000 1.136 638 Y CA 2.271 60.172 58.100 -0.332 0.000 1.147 638 Y CB -0.188 38.153 38.460 -0.198 0.000 0.987 638 Y HN 0.454 nan 8.280 nan 0.000 0.509 639 E N -0.385 119.704 120.200 -0.184 0.000 2.106 639 E HA -0.176 4.174 4.350 0.000 0.000 0.192 639 E C 1.882 178.227 176.600 -0.425 0.000 0.984 639 E CA 0.885 57.116 56.400 -0.282 0.000 0.806 639 E CB -0.060 29.536 29.700 -0.173 0.000 0.750 639 E HN 0.224 nan 8.360 nan 0.000 0.458 640 R N 0.416 120.587 120.500 -0.548 0.000 2.313 640 R HA 0.119 4.459 4.340 0.000 0.000 0.199 640 R C -0.257 175.846 176.300 -0.328 0.000 0.958 640 R CA 0.020 55.827 56.100 -0.489 0.000 1.047 640 R CB -0.036 29.851 30.300 -0.689 0.000 0.955 640 R HN -0.052 nan 8.270 nan 0.000 0.481 641 R N 0.303 120.570 120.500 -0.389 0.000 3.264 641 R HA -0.211 4.129 4.340 0.000 0.000 0.251 641 R C -0.929 175.227 176.300 -0.240 0.000 0.971 641 R CA 0.583 56.466 56.100 -0.361 0.000 0.658 641 R CB -2.216 27.901 30.300 -0.305 0.000 1.095 641 R HN 0.331 nan 8.270 nan 0.000 0.443 642 H N -0.281 118.624 119.070 -0.276 0.000 2.661 642 H HA 0.220 4.776 4.556 0.000 0.000 0.290 642 H C -1.795 173.435 175.328 -0.164 0.000 1.082 642 H CA -2.527 53.417 56.048 -0.174 0.000 1.234 642 H CB 1.416 31.109 29.762 -0.114 0.000 1.387 642 H HN -0.044 nan 8.280 nan 0.000 0.476 643 P HA -0.120 nan 4.420 nan 0.000 0.215 643 P C 1.540 178.742 177.300 -0.164 0.000 1.157 643 P CA 1.705 64.581 63.100 -0.375 0.000 0.868 643 P CB 0.179 31.406 31.700 -0.788 0.000 0.788 644 G N -0.280 108.514 108.800 -0.010 0.000 2.433 644 G HA2 -0.220 3.740 3.960 0.000 0.000 0.216 644 G HA3 -0.220 3.740 3.960 0.000 0.000 0.216 644 G C 1.480 176.467 174.900 0.144 0.000 1.186 644 G CA 0.600 45.757 45.100 0.095 0.000 0.779 644 G HN 0.214 nan 8.290 nan 0.000 0.543 645 L N -0.901 120.478 121.223 0.261 0.000 2.141 645 L HA 0.090 4.430 4.340 0.000 0.000 0.209 645 L C 2.506 179.440 176.870 0.107 0.000 1.094 645 L CA 0.550 55.444 54.840 0.089 0.000 0.763 645 L CB -0.302 41.708 42.059 -0.082 0.000 0.908 645 L HN 0.225 nan 8.230 nan 0.000 0.437 646 F N 0.256 120.179 119.950 -0.044 0.000 2.128 646 F HA -0.164 4.363 4.527 -0.000 0.000 0.295 646 F C 2.603 178.288 175.800 -0.192 0.000 1.100 646 F CA 1.504 59.434 58.000 -0.117 0.000 1.260 646 F CB -0.210 38.690 39.000 -0.166 0.000 1.009 646 F HN -0.093 nan 8.300 nan 0.000 0.476 647 S N -0.071 115.505 115.700 -0.207 0.000 2.368 647 S HA -0.249 4.221 4.470 0.000 0.000 0.225 647 S C 2.007 176.555 174.600 -0.086 0.000 1.030 647 S CA 1.491 59.473 58.200 -0.364 0.000 0.999 647 S CB -0.510 62.512 63.200 -0.297 0.000 0.844 647 S HN 0.577 nan 8.310 nan 0.000 0.459 648 E N 1.192 121.378 120.200 -0.024 0.000 2.047 648 E HA -0.117 4.233 4.350 0.000 0.000 0.191 648 E C 2.133 178.720 176.600 -0.023 0.000 0.987 648 E CA 0.964 57.380 56.400 0.026 0.000 0.799 648 E CB -0.247 29.478 29.700 0.041 0.000 0.752 648 E HN 0.465 nan 8.360 nan 0.000 0.449 649 A N 1.027 123.799 122.820 -0.079 0.000 2.019 649 A HA -0.144 4.176 4.320 0.000 0.000 0.219 649 A C 2.078 179.528 177.584 -0.224 0.000 1.164 649 A CA 1.057 53.040 52.037 -0.089 0.000 0.644 649 A CB -0.463 18.495 19.000 -0.070 0.000 0.805 649 A HN 0.382 nan 8.150 nan 0.000 0.449 650 L N -0.394 120.565 121.223 -0.441 0.000 2.109 650 L HA 0.019 4.359 4.340 0.000 0.000 0.207 650 L C 2.169 178.669 176.870 -0.617 0.000 1.086 650 L CA 1.397 55.828 54.840 -0.681 0.000 0.760 650 L CB -0.534 41.025 42.059 -0.835 0.000 0.910 650 L HN 0.388 nan 8.230 nan 0.000 0.437 651 L N -0.551 120.548 121.223 -0.208 0.000 2.017 651 L HA -0.162 4.178 4.340 0.000 0.000 0.208 651 L C 2.654 179.566 176.870 0.070 0.000 1.073 651 L CA 1.235 56.088 54.840 0.022 0.000 0.745 651 L CB -0.990 41.174 42.059 0.175 0.000 0.894 651 L HN 0.345 nan 8.230 nan 0.000 0.432 652 A N -0.815 122.037 122.820 0.054 0.000 1.972 652 A HA -0.279 4.041 4.320 0.000 0.000 0.219 652 A C 2.187 179.831 177.584 0.099 0.000 1.169 652 A CA 1.429 53.529 52.037 0.106 0.000 0.635 652 A CB -0.840 18.252 19.000 0.154 0.000 0.810 652 A HN 0.510 nan 8.150 nan 0.000 0.446 653 Y N -1.005 119.236 120.300 -0.098 0.000 2.181 653 Y HA -0.250 4.300 4.550 -0.000 0.000 0.288 653 Y C 2.132 178.082 175.900 0.084 0.000 1.146 653 Y CA 1.710 59.769 58.100 -0.069 0.000 1.164 653 Y CB -0.409 37.911 38.460 -0.233 0.000 0.982 653 Y HN 0.486 nan 8.280 nan 0.000 0.515 654 W N 0.406 121.811 121.300 0.175 0.000 2.333 654 W HA -0.224 4.436 4.660 -0.000 0.000 0.316 654 W C 2.457 178.955 176.519 -0.036 0.000 1.215 654 W CA 0.896 58.281 57.345 0.066 0.000 1.278 654 W CB -0.419 29.106 29.460 0.108 0.000 1.154 654 W HN 0.059 nan 8.180 nan 0.000 0.486 655 E N 0.644 120.992 120.200 0.246 0.000 2.106 655 E HA -0.178 4.172 4.350 0.000 0.000 0.192 655 E C 1.873 178.482 176.600 0.014 0.000 0.984 655 E CA 1.635 58.101 56.400 0.110 0.000 0.806 655 E CB -0.366 29.397 29.700 0.106 0.000 0.750 655 E HN 0.121 nan 8.360 nan 0.000 0.458 656 V N -0.633 119.260 119.914 -0.036 0.000 3.593 656 V HA 0.127 4.247 4.120 0.000 0.000 0.275 656 V C 0.662 176.674 176.094 -0.138 0.000 1.237 656 V CA 0.877 63.111 62.300 -0.111 0.000 1.194 656 V CB -0.556 31.170 31.823 -0.161 0.000 0.949 656 V HN 0.151 nan 8.190 nan 0.000 0.467 657 N N 0.143 118.779 118.700 -0.107 0.000 2.166 657 N HA 0.153 4.893 4.740 0.000 0.000 0.222 657 N C 1.057 176.537 175.510 -0.050 0.000 1.282 657 N CA -0.191 52.793 53.050 -0.111 0.000 0.890 657 N CB 0.619 38.992 38.487 -0.189 0.000 1.114 657 N HN 0.527 nan 8.380 nan 0.000 0.494 658 R N 0.000 120.487 120.500 -0.021 0.000 2.786 658 R HA 0.000 4.340 4.340 0.000 0.000 0.208 658 R CA 0.000 56.093 56.100 -0.012 0.000 0.921 658 R CB 0.000 30.301 30.300 0.002 0.000 0.687 658 R HN 0.000 nan 8.270 nan 0.000 0.535