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 2jkt_1_A DATA FIRST_RESID 3 DATA SEQUENCE AVSKGDGMRG LAVFISDIRN CKSKEAEIKR INKELANIRS KFKGDKALDG DATA SEQUENCE YSKKKYVCKL LFIFLLGHDI DFGHMEAVNL LSSNRYTEKQ IGYLFISVLV DATA SEQUENCE NSNSELIRLI NNAIKNDLAS RNPTFMGLAL HCIANVGSRE MAEAFAGEIP DATA SEQUENCE KILVAGDTMD SVKQSAALCL LRLYRTSPDL VPMGDWTSRV VHLLNDQHLG DATA SEQUENCE VVTAATSLIT TLAQKNPEEF KTSVSLAVSR LSRIVTSAST DLQDYTYYFV DATA SEQUENCE PAPWLSVKLL RLLQCYPPPE DPAVRGRLTE CLETILNKAQ EPPKSKKVQH DATA SEQUENCE SNAKNAVLFE AISLIIHHDS EPNLLVRACN QLGQFLQHRE TNLRYLALES DATA SEQUENCE MCTLASSEFS HEAVKTHIET VINALKTERD VSVRQRAVDL LYAMCDRSNA DATA SEQUENCE QQIVAEMLSY LETADYSIRE EIVLKVAILA EKYAVDYTWY VDTILNLIRI DATA SEQUENCE AGDYVSEEVW YRVIQIVINR DDVQGYAAKT VFEALQAPAC HENLVKVGGY DATA SEQUENCE ILGEFGNLIA GDPRSSPLIQ FNLLHSKFHL CSVPTRALLL STYIKFVNLF DATA SEQUENCE PEVKATIQDV LRSDSQLKNA DVELQQRAVE YLRLSTVAST DILATVLEEM DATA SEQUENCE PPFPERESSI LAKLKKKKGG S 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.579 177.584 -0.008 0.000 1.274 3 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 3 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 4 V N 0.717 120.624 119.914 -0.010 0.000 3.096 4 V HA 0.759 4.879 4.120 0.000 0.000 0.319 4 V C 1.350 177.441 176.094 -0.005 0.000 1.082 4 V CA 0.008 62.303 62.300 -0.009 0.000 1.022 4 V CB 1.737 33.551 31.823 -0.014 0.000 1.103 4 V HN 1.223 nan 8.190 nan 0.000 0.455 5 S N 0.838 116.537 115.700 -0.001 0.000 2.634 5 S HA 0.343 4.813 4.470 0.000 0.000 0.254 5 S C -0.321 174.282 174.600 0.005 0.000 1.299 5 S CA -0.289 57.913 58.200 0.004 0.000 0.974 5 S CB 0.294 63.499 63.200 0.009 0.000 1.001 5 S HN 0.788 nan 8.310 nan 0.000 0.584 6 K N 0.990 121.397 120.400 0.012 0.000 2.690 6 K HA 0.491 4.812 4.320 0.000 0.000 0.243 6 K C -0.488 176.129 176.600 0.028 0.000 0.982 6 K CA -0.802 55.494 56.287 0.016 0.000 0.955 6 K CB 0.958 33.465 32.500 0.012 0.000 1.185 6 K HN 0.542 nan 8.250 nan 0.000 0.467 7 G N 1.657 110.480 108.800 0.040 0.000 2.388 7 G HA2 0.598 4.558 3.960 0.000 0.000 0.330 7 G HA3 0.598 4.558 3.960 0.000 0.000 0.330 7 G C -1.224 173.717 174.900 0.068 0.000 1.142 7 G CA -0.060 45.073 45.100 0.056 0.000 0.908 7 G HN 0.585 nan 8.290 nan 0.000 0.473 8 D N -0.757 119.686 120.400 0.071 0.000 3.008 8 D HA 0.494 5.135 4.640 0.000 0.000 0.264 8 D C -0.231 176.107 176.300 0.062 0.000 1.035 8 D CA 1.012 55.053 54.000 0.069 0.000 0.749 8 D CB 0.878 41.715 40.800 0.062 0.000 2.193 8 D HN 1.504 nan 8.370 nan 0.000 0.466 9 G N 0.631 109.462 108.800 0.052 0.000 2.333 9 G HA2 0.525 4.485 3.960 0.000 0.000 0.330 9 G HA3 0.525 4.485 3.960 0.000 0.000 0.330 9 G C -1.339 173.589 174.900 0.046 0.000 1.465 9 G CA -0.281 44.848 45.100 0.049 0.000 0.996 9 G HN 0.665 nan 8.290 nan 0.000 0.655 10 M N 1.072 120.690 119.600 0.030 0.000 2.659 10 M HA 0.259 4.739 4.480 0.000 0.000 0.164 10 M C 0.943 177.243 176.300 -0.000 0.000 0.989 10 M CA -0.503 54.796 55.300 -0.001 0.000 0.803 10 M CB 0.743 33.261 32.600 -0.137 0.000 3.145 10 M HN 0.806 nan 8.290 nan 0.000 0.350 11 R N 0.988 121.515 120.500 0.045 0.000 2.133 11 R HA -0.175 4.165 4.340 0.000 0.000 0.245 11 R C 1.623 177.915 176.300 -0.013 0.000 1.137 11 R CA 2.875 58.985 56.100 0.016 0.000 0.947 11 R CB -0.424 29.893 30.300 0.028 0.000 0.865 11 R HN 0.849 nan 8.270 nan 0.000 0.437 12 G N 0.989 109.772 108.800 -0.028 0.000 2.503 12 G HA2 -0.321 3.640 3.960 0.000 0.000 0.221 12 G HA3 -0.321 3.640 3.960 0.000 0.000 0.221 12 G C 1.298 176.168 174.900 -0.050 0.000 1.131 12 G CA 1.037 46.099 45.100 -0.063 0.000 0.756 12 G HN 0.329 nan 8.290 nan 0.000 0.572 13 L N 1.272 122.451 121.223 -0.072 0.000 1.976 13 L HA 0.138 4.479 4.340 0.000 0.000 0.209 13 L C 3.212 180.023 176.870 -0.099 0.000 1.071 13 L CA 2.313 57.109 54.840 -0.073 0.000 0.746 13 L CB -0.904 41.099 42.059 -0.094 0.000 0.890 13 L HN 0.249 nan 8.230 nan 0.000 0.432 14 A N -1.268 121.502 122.820 -0.083 0.000 1.958 14 A HA -0.213 4.107 4.320 0.000 0.000 0.221 14 A C 2.254 179.797 177.584 -0.067 0.000 1.178 14 A CA 2.297 54.285 52.037 -0.081 0.000 0.642 14 A CB -1.164 17.810 19.000 -0.043 0.000 0.816 14 A HN 0.365 nan 8.150 nan 0.000 0.453 15 V N -1.559 118.338 119.914 -0.027 0.000 2.323 15 V HA -0.158 3.962 4.120 0.000 0.000 0.244 15 V C 2.219 178.342 176.094 0.048 0.000 1.041 15 V CA 1.754 64.057 62.300 0.006 0.000 1.025 15 V CB -0.918 30.917 31.823 0.020 0.000 0.656 15 V HN 0.625 nan 8.190 nan 0.000 0.451 16 F N 0.542 120.414 119.950 -0.131 0.000 2.250 16 F HA -0.153 4.375 4.527 0.000 0.000 0.301 16 F C 1.944 177.630 175.800 -0.191 0.000 1.077 16 F CA 1.124 59.042 58.000 -0.137 0.000 1.348 16 F CB -0.324 38.586 39.000 -0.151 0.000 1.040 16 F HN 0.088 nan 8.300 nan 0.000 0.509 17 I N -1.422 118.943 120.570 -0.343 0.000 2.235 17 I HA -0.237 3.933 4.170 0.000 0.000 0.241 17 I C 2.500 178.501 176.117 -0.194 0.000 1.085 17 I CA 1.136 62.173 61.300 -0.439 0.000 1.378 17 I CB -0.790 36.956 38.000 -0.423 0.000 1.076 17 I HN -0.087 nan 8.210 nan 0.000 0.415 18 S N 0.591 116.225 115.700 -0.110 0.000 2.368 18 S HA -0.196 4.275 4.470 0.000 0.000 0.225 18 S C 1.550 176.130 174.600 -0.035 0.000 1.030 18 S CA 1.480 59.648 58.200 -0.054 0.000 0.999 18 S CB -0.328 62.853 63.200 -0.032 0.000 0.844 18 S HN 0.400 nan 8.310 nan 0.000 0.459 19 D N 0.850 121.239 120.400 -0.018 0.000 2.218 19 D HA -0.016 4.625 4.640 0.000 0.000 0.204 19 D C 1.696 177.991 176.300 -0.007 0.000 0.976 19 D CA 0.703 54.712 54.000 0.014 0.000 0.853 19 D CB -0.109 40.736 40.800 0.075 0.000 0.939 19 D HN 0.354 nan 8.370 nan 0.000 0.481 20 I N 0.029 120.556 120.570 -0.072 0.000 2.556 20 I HA -0.075 4.095 4.170 0.000 0.000 0.251 20 I C 1.770 177.859 176.117 -0.046 0.000 1.105 20 I CA 0.109 61.355 61.300 -0.090 0.000 1.436 20 I CB 0.317 38.161 38.000 -0.260 0.000 1.139 20 I HN -0.217 nan 8.210 nan 0.000 0.438 21 R N 1.115 121.590 120.500 -0.040 0.000 2.341 21 R HA -0.082 4.258 4.340 0.000 0.000 0.213 21 R C 1.261 177.554 176.300 -0.012 0.000 1.082 21 R CA 0.473 56.567 56.100 -0.011 0.000 1.017 21 R CB -1.312 28.986 30.300 -0.003 0.000 0.860 21 R HN 0.417 nan 8.270 nan 0.000 0.473 22 N N 0.026 118.717 118.700 -0.015 0.000 2.024 22 N HA -0.004 4.736 4.740 0.000 0.000 0.207 22 N C -0.289 175.218 175.510 -0.004 0.000 1.076 22 N CA 0.448 53.494 53.050 -0.007 0.000 1.022 22 N CB -0.113 38.372 38.487 -0.003 0.000 1.266 22 N HN 0.075 nan 8.380 nan 0.000 0.508 23 C N 0.848 120.149 119.300 0.001 0.000 1.590 23 C HA -0.076 4.384 4.460 0.000 0.000 0.220 23 C C 0.687 175.677 174.990 0.001 0.000 0.769 23 C CA -0.548 58.472 59.018 0.003 0.000 3.283 23 C CB -0.997 26.743 27.740 0.001 0.000 1.854 23 C HN 0.508 nan 8.230 nan 0.000 0.237 24 K N 1.448 121.849 120.400 0.003 0.000 2.665 24 K HA 0.043 4.363 4.320 0.000 0.000 0.196 24 K C 0.933 177.533 176.600 0.000 0.000 1.021 24 K CA 1.081 57.368 56.287 0.001 0.000 1.066 24 K CB -0.220 32.281 32.500 0.003 0.000 0.849 24 K HN 1.081 nan 8.250 nan 0.000 0.500 25 S N -1.708 113.992 115.700 -0.001 0.000 2.643 25 S HA 0.249 4.719 4.470 0.000 0.000 0.266 25 S C -0.392 174.205 174.600 -0.005 0.000 1.130 25 S CA -0.987 57.211 58.200 -0.002 0.000 0.817 25 S CB 1.137 64.337 63.200 -0.000 0.000 1.107 25 S HN -0.056 nan 8.310 nan 0.000 0.471 26 K N 0.352 120.748 120.400 -0.006 0.000 2.469 26 K HA 0.360 4.680 4.320 0.000 0.000 0.201 26 K C 0.824 177.420 176.600 -0.008 0.000 1.028 26 K CA 0.473 56.754 56.287 -0.009 0.000 1.170 26 K CB -0.034 32.459 32.500 -0.011 0.000 0.874 26 K HN 0.581 nan 8.250 nan 0.000 0.507 27 E N -1.525 118.672 120.200 -0.004 0.000 2.603 27 E HA 0.157 4.507 4.350 0.000 0.000 0.224 27 E C 1.027 177.628 176.600 0.002 0.000 0.896 27 E CA 0.371 56.770 56.400 -0.002 0.000 1.224 27 E CB 0.475 30.176 29.700 0.001 0.000 1.206 27 E HN 0.238 nan 8.360 nan 0.000 0.576 28 A N 1.513 124.336 122.820 0.005 0.000 1.929 28 A HA -0.134 4.186 4.320 0.000 0.000 0.216 28 A C 2.006 179.600 177.584 0.016 0.000 1.176 28 A CA 1.474 53.519 52.037 0.012 0.000 0.628 28 A CB -0.422 18.585 19.000 0.012 0.000 0.816 28 A HN 0.335 nan 8.150 nan 0.000 0.444 29 E N 0.293 120.497 120.200 0.007 0.000 2.086 29 E HA -0.232 4.118 4.350 0.000 0.000 0.200 29 E C 1.768 178.368 176.600 0.001 0.000 1.012 29 E CA 1.831 58.233 56.400 0.003 0.000 0.812 29 E CB -0.287 29.405 29.700 -0.013 0.000 0.743 29 E HN 0.690 nan 8.360 nan 0.000 0.453 30 I N 0.476 121.037 120.570 -0.015 0.000 2.546 30 I HA -0.189 3.982 4.170 0.000 0.000 0.255 30 I C 2.698 178.800 176.117 -0.025 0.000 1.163 30 I CA 0.881 62.154 61.300 -0.044 0.000 1.457 30 I CB -0.290 37.688 38.000 -0.036 0.000 1.092 30 I HN 0.102 nan 8.210 nan 0.000 0.434 31 K N 1.063 121.467 120.400 0.007 0.000 2.021 31 K HA -0.111 4.209 4.320 0.000 0.000 0.205 31 K C 2.449 179.078 176.600 0.048 0.000 1.047 31 K CA 0.688 56.988 56.287 0.021 0.000 0.943 31 K CB 0.018 32.532 32.500 0.022 0.000 0.725 31 K HN -0.038 nan 8.250 nan 0.000 0.439 32 R N 1.046 121.591 120.500 0.076 0.000 2.159 32 R HA -0.091 4.250 4.340 0.000 0.000 0.237 32 R C 1.998 178.431 176.300 0.221 0.000 1.131 32 R CA 0.799 56.983 56.100 0.140 0.000 0.982 32 R CB -0.557 29.841 30.300 0.165 0.000 0.868 32 R HN 0.250 nan 8.270 nan 0.000 0.453 33 I N 1.477 122.160 120.570 0.187 0.000 2.133 33 I HA -0.255 3.916 4.170 0.000 0.000 0.238 33 I C 1.718 177.904 176.117 0.114 0.000 1.074 33 I CA 1.320 62.751 61.300 0.217 0.000 1.342 33 I CB -0.823 37.214 38.000 0.062 0.000 1.053 33 I HN 0.101 nan 8.210 nan 0.000 0.404 34 N N 0.687 119.417 118.700 0.051 0.000 2.348 34 N HA -0.173 4.567 4.740 0.000 0.000 0.185 34 N C 1.605 177.142 175.510 0.045 0.000 1.019 34 N CA 0.930 54.013 53.050 0.055 0.000 0.880 34 N CB -0.183 38.328 38.487 0.039 0.000 0.965 34 N HN 0.510 nan 8.380 nan 0.000 0.437 35 K N 0.294 120.717 120.400 0.037 0.000 2.166 35 K HA -0.016 4.304 4.320 0.000 0.000 0.201 35 K C 1.651 178.229 176.600 -0.037 0.000 1.052 35 K CA 0.557 56.850 56.287 0.010 0.000 0.969 35 K CB 0.154 32.669 32.500 0.024 0.000 0.761 35 K HN -0.006 nan 8.250 nan 0.000 0.459 36 E N 1.590 121.738 120.200 -0.086 0.000 2.122 36 E HA 0.010 4.361 4.350 0.000 0.000 0.190 36 E C 1.843 178.371 176.600 -0.119 0.000 0.977 36 E CA 0.606 56.859 56.400 -0.245 0.000 0.820 36 E CB -0.070 29.153 29.700 -0.795 0.000 0.770 36 E HN 0.106 nan 8.360 nan 0.000 0.462 37 L N -0.107 121.118 121.223 0.002 0.000 2.127 37 L HA -0.163 4.177 4.340 0.000 0.000 0.211 37 L C 2.286 179.220 176.870 0.107 0.000 1.089 37 L CA 1.221 56.148 54.840 0.145 0.000 0.757 37 L CB -0.448 41.744 42.059 0.222 0.000 0.899 37 L HN 0.215 nan 8.230 nan 0.000 0.434 38 A N -0.192 122.644 122.820 0.027 0.000 1.970 38 A HA -0.193 4.127 4.320 0.000 0.000 0.216 38 A C 1.990 179.520 177.584 -0.090 0.000 1.170 38 A CA 1.670 53.691 52.037 -0.027 0.000 0.645 38 A CB -0.494 18.496 19.000 -0.016 0.000 0.816 38 A HN 0.477 nan 8.150 nan 0.000 0.447 39 N N 0.297 118.940 118.700 -0.095 0.000 2.207 39 N HA -0.044 4.696 4.740 0.000 0.000 0.182 39 N C 1.472 176.831 175.510 -0.251 0.000 1.020 39 N CA 1.617 54.584 53.050 -0.138 0.000 0.858 39 N CB -0.360 38.070 38.487 -0.095 0.000 0.991 39 N HN 0.466 nan 8.380 nan 0.000 0.427 40 I N 0.138 120.570 120.570 -0.230 0.000 2.142 40 I HA -0.195 3.975 4.170 0.000 0.000 0.240 40 I C 1.570 177.305 176.117 -0.636 0.000 1.078 40 I CA 0.647 61.681 61.300 -0.443 0.000 1.343 40 I CB -0.382 37.557 38.000 -0.103 0.000 1.046 40 I HN 0.164 nan 8.210 nan 0.000 0.405 41 R N 1.499 121.779 120.500 -0.367 0.000 2.734 41 R HA -0.023 4.317 4.340 0.000 0.000 0.266 41 R C 0.950 177.021 176.300 -0.383 0.000 1.044 41 R CA 1.060 56.845 56.100 -0.526 0.000 1.128 41 R CB 0.456 30.357 30.300 -0.665 0.000 1.010 41 R HN 0.465 nan 8.270 nan 0.000 0.461 42 S N 0.738 116.250 115.700 -0.315 0.000 3.593 42 S HA -0.126 4.344 4.470 0.000 0.000 0.301 42 S C 0.058 174.496 174.600 -0.270 0.000 1.209 42 S CA 1.384 59.446 58.200 -0.230 0.000 0.878 42 S CB -0.819 62.271 63.200 -0.184 0.000 1.000 42 S HN 0.861 nan 8.310 nan 0.000 0.578 43 K N -0.844 119.330 120.400 -0.377 0.000 2.665 43 K HA 0.368 4.688 4.320 0.000 0.000 0.197 43 K C 1.129 177.589 176.600 -0.233 0.000 1.463 43 K CA 0.838 56.881 56.287 -0.407 0.000 1.107 43 K CB -0.577 31.461 32.500 -0.771 0.000 1.584 43 K HN 0.350 nan 8.250 nan 0.000 0.558 44 F N 2.259 122.082 119.950 -0.210 0.000 2.113 44 F HA 0.057 4.584 4.527 0.000 0.000 0.297 44 F C 1.630 177.352 175.800 -0.130 0.000 1.103 44 F CA 0.865 58.782 58.000 -0.138 0.000 1.248 44 F CB -0.551 38.391 39.000 -0.096 0.000 0.999 44 F HN -0.142 nan 8.300 nan 0.000 0.475 45 K N 0.910 121.313 120.400 0.006 0.000 3.322 45 K HA 0.321 4.641 4.320 0.000 0.000 0.291 45 K C 0.190 176.752 176.600 -0.064 0.000 1.131 45 K CA -0.063 56.193 56.287 -0.052 0.000 1.185 45 K CB -0.817 31.608 32.500 -0.125 0.000 1.338 45 K HN 0.309 nan 8.250 nan 0.000 0.380 46 G N 0.174 108.950 108.800 -0.040 0.000 2.798 46 G HA2 0.107 4.067 3.960 0.000 0.000 0.286 46 G HA3 0.107 4.067 3.960 0.000 0.000 0.286 46 G C -0.297 174.587 174.900 -0.026 0.000 1.389 46 G CA -0.612 44.461 45.100 -0.045 0.000 0.894 46 G HN 0.335 nan 8.290 nan 0.000 0.488 47 D N -0.011 120.373 120.400 -0.026 0.000 2.137 47 D HA -0.116 4.524 4.640 0.000 0.000 0.193 47 D C 0.523 176.816 176.300 -0.011 0.000 0.993 47 D CA 0.994 54.983 54.000 -0.018 0.000 0.846 47 D CB -0.186 40.603 40.800 -0.018 0.000 0.990 47 D HN 0.344 nan 8.370 nan 0.000 0.448 48 K N 1.108 121.502 120.400 -0.010 0.000 2.349 48 K HA 0.469 4.789 4.320 0.000 0.000 0.289 48 K C -0.177 176.428 176.600 0.008 0.000 1.064 48 K CA -0.438 55.848 56.287 -0.002 0.000 0.947 48 K CB 1.242 33.741 32.500 -0.000 0.000 1.007 48 K HN 0.316 nan 8.250 nan 0.000 0.478 49 A N 3.870 126.698 122.820 0.012 0.000 2.520 49 A HA 0.118 4.438 4.320 0.000 0.000 0.235 49 A C 0.103 177.711 177.584 0.040 0.000 1.065 49 A CA -0.278 51.775 52.037 0.027 0.000 0.764 49 A CB -0.045 18.962 19.000 0.010 0.000 1.002 49 A HN 0.571 nan 8.150 nan 0.000 0.502 50 L N 1.624 122.890 121.223 0.071 0.000 2.469 50 L HA 0.334 4.674 4.340 0.000 0.000 0.253 50 L C 1.006 177.928 176.870 0.086 0.000 1.143 50 L CA -0.617 54.277 54.840 0.090 0.000 0.804 50 L CB 0.032 42.179 42.059 0.145 0.000 1.214 50 L HN 0.806 nan 8.230 nan 0.000 0.476 51 D N -0.372 120.089 120.400 0.101 0.000 2.433 51 D HA 0.091 4.731 4.640 0.000 0.000 0.255 51 D C 1.130 177.494 176.300 0.107 0.000 1.226 51 D CA 0.022 54.076 54.000 0.090 0.000 1.015 51 D CB 0.326 41.181 40.800 0.091 0.000 1.091 51 D HN 0.555 nan 8.370 nan 0.000 0.527 52 G N -0.785 108.069 108.800 0.090 0.000 2.446 52 G HA2 -0.349 3.611 3.960 0.000 0.000 0.217 52 G HA3 -0.349 3.611 3.960 0.000 0.000 0.217 52 G C 1.404 176.368 174.900 0.106 0.000 1.168 52 G CA 0.947 46.092 45.100 0.075 0.000 0.771 52 G HN 0.598 nan 8.290 nan 0.000 0.551 53 Y N 1.718 122.035 120.300 0.028 0.000 2.097 53 Y HA -0.172 4.378 4.550 0.000 0.000 0.282 53 Y C 3.248 179.169 175.900 0.035 0.000 1.152 53 Y CA 2.174 60.287 58.100 0.022 0.000 1.136 53 Y CB -0.184 38.286 38.460 0.016 0.000 0.975 53 Y HN 0.235 nan 8.280 nan 0.000 0.498 54 S N -0.148 115.728 115.700 0.293 0.000 2.402 54 S HA -0.150 4.320 4.470 0.000 0.000 0.229 54 S C 1.905 176.721 174.600 0.361 0.000 1.021 54 S CA 1.092 59.469 58.200 0.295 0.000 0.974 54 S CB -0.190 63.246 63.200 0.393 0.000 0.800 54 S HN 0.374 nan 8.310 nan 0.000 0.484 55 K N 1.367 121.923 120.400 0.260 0.000 1.973 55 K HA -0.136 4.184 4.320 0.000 0.000 0.212 55 K C 2.239 178.920 176.600 0.134 0.000 1.047 55 K CA 1.337 57.771 56.287 0.245 0.000 0.937 55 K CB -0.298 32.251 32.500 0.083 0.000 0.721 55 K HN 0.210 nan 8.250 nan 0.000 0.440 56 K N 1.672 122.074 120.400 0.004 0.000 2.071 56 K HA -0.299 4.022 4.320 0.000 0.000 0.217 56 K C 2.108 178.656 176.600 -0.086 0.000 1.054 56 K CA 2.371 58.611 56.287 -0.078 0.000 0.937 56 K CB -0.159 32.247 32.500 -0.157 0.000 0.719 56 K HN 0.040 nan 8.250 nan 0.000 0.454 57 K N -0.735 119.572 120.400 -0.156 0.000 2.103 57 K HA -0.151 4.169 4.320 0.000 0.000 0.204 57 K C 1.877 178.379 176.600 -0.164 0.000 1.052 57 K CA 1.426 57.569 56.287 -0.240 0.000 0.945 57 K CB -0.172 32.086 32.500 -0.404 0.000 0.722 57 K HN 0.293 nan 8.250 nan 0.000 0.443 58 Y N 0.471 120.803 120.300 0.053 0.000 2.395 58 Y HA -0.105 4.446 4.550 0.000 0.000 0.293 58 Y C 2.164 178.179 175.900 0.191 0.000 1.123 58 Y CA 0.413 58.566 58.100 0.087 0.000 1.227 58 Y CB 0.192 38.673 38.460 0.035 0.000 1.012 58 Y HN -0.142 nan 8.280 nan 0.000 0.552 59 V N -1.344 118.745 119.914 0.292 0.000 2.237 59 V HA -0.349 3.772 4.120 0.000 0.000 0.245 59 V C 2.423 178.663 176.094 0.242 0.000 1.046 59 V CA 1.746 64.143 62.300 0.162 0.000 1.007 59 V CB -1.000 30.800 31.823 -0.039 0.000 0.638 59 V HN 0.572 nan 8.190 nan 0.000 0.445 60 C N 0.108 119.501 119.300 0.154 0.000 2.403 60 C HA -0.215 4.245 4.460 0.000 0.000 0.277 60 C C 2.854 177.974 174.990 0.216 0.000 1.248 60 C CA 1.578 60.687 59.018 0.152 0.000 1.762 60 C CB -1.130 26.638 27.740 0.047 0.000 2.014 60 C HN 0.537 nan 8.230 nan 0.000 0.486 61 K N -0.177 120.347 120.400 0.206 0.000 2.103 61 K HA -0.031 4.290 4.320 0.000 0.000 0.204 61 K C 1.944 178.786 176.600 0.403 0.000 1.052 61 K CA 1.049 57.512 56.287 0.295 0.000 0.945 61 K CB -0.220 32.373 32.500 0.155 0.000 0.722 61 K HN 0.526 nan 8.250 nan 0.000 0.443 62 L N 0.672 122.095 121.223 0.334 0.000 1.994 62 L HA -0.206 4.134 4.340 0.000 0.000 0.208 62 L C 2.460 179.509 176.870 0.298 0.000 1.071 62 L CA 0.725 55.755 54.840 0.315 0.000 0.745 62 L CB -0.559 41.693 42.059 0.321 0.000 0.892 62 L HN 0.165 nan 8.230 nan 0.000 0.431 63 L N -0.302 121.089 121.223 0.280 0.000 2.089 63 L HA -0.292 4.048 4.340 0.000 0.000 0.213 63 L C 2.346 179.350 176.870 0.224 0.000 1.079 63 L CA 1.874 56.791 54.840 0.128 0.000 0.758 63 L CB -0.645 41.503 42.059 0.150 0.000 0.891 63 L HN 0.114 nan 8.230 nan 0.000 0.433 64 F N -0.464 119.573 119.950 0.146 0.000 2.128 64 F HA -0.161 4.366 4.527 0.000 0.000 0.295 64 F C 2.268 178.140 175.800 0.120 0.000 1.100 64 F CA 1.681 59.748 58.000 0.113 0.000 1.260 64 F CB -0.173 38.888 39.000 0.101 0.000 1.009 64 F HN 0.015 nan 8.300 nan 0.000 0.476 65 I N -0.435 120.392 120.570 0.429 0.000 2.248 65 I HA -0.342 3.828 4.170 0.000 0.000 0.248 65 I C 2.344 178.560 176.117 0.166 0.000 1.107 65 I CA 1.632 63.112 61.300 0.301 0.000 1.373 65 I CB -0.630 37.622 38.000 0.420 0.000 1.055 65 I HN 0.235 nan 8.210 nan 0.000 0.418 66 F N 1.552 121.512 119.950 0.016 0.000 2.075 66 F HA -0.195 4.332 4.527 0.000 0.000 0.297 66 F C 2.009 177.745 175.800 -0.107 0.000 1.113 66 F CA 1.538 59.504 58.000 -0.057 0.000 1.218 66 F CB -0.093 38.826 39.000 -0.136 0.000 0.984 66 F HN -0.127 nan 8.300 nan 0.000 0.472 67 L N 0.728 121.900 121.223 -0.085 0.000 2.786 67 L HA -0.128 4.212 4.340 0.000 0.000 0.250 67 L C 1.374 178.025 176.870 -0.364 0.000 1.151 67 L CA 0.038 54.732 54.840 -0.244 0.000 0.910 67 L CB -0.543 41.405 42.059 -0.186 0.000 1.082 67 L HN 0.386 nan 8.230 nan 0.000 0.433 68 L N -1.315 119.713 121.223 -0.326 0.000 2.467 68 L HA 0.282 4.622 4.340 0.000 0.000 0.213 68 L C 1.622 178.373 176.870 -0.199 0.000 1.053 68 L CA 1.026 55.700 54.840 -0.278 0.000 0.847 68 L CB 0.183 42.111 42.059 -0.218 0.000 1.075 68 L HN 0.419 nan 8.230 nan 0.000 0.479 69 G N -1.983 106.695 108.800 -0.203 0.000 3.246 69 G HA2 -0.149 3.811 3.960 0.000 0.000 0.218 69 G HA3 -0.149 3.811 3.960 0.000 0.000 0.218 69 G C -0.065 174.780 174.900 -0.092 0.000 0.978 69 G CA -0.553 44.443 45.100 -0.173 0.000 0.825 69 G HN 0.256 nan 8.290 nan 0.000 0.546 70 H N 1.905 120.898 119.070 -0.127 0.000 2.551 70 H HA 0.565 5.121 4.556 0.000 0.000 0.358 70 H C -0.108 175.222 175.328 0.002 0.000 1.151 70 H CA 0.300 56.329 56.048 -0.032 0.000 1.374 70 H CB 0.834 30.620 29.762 0.041 0.000 1.473 70 H HN 0.124 nan 8.280 nan 0.000 0.574 71 D N 2.290 122.538 120.400 -0.254 0.000 2.423 71 D HA 0.247 4.887 4.640 0.000 0.000 0.255 71 D C -0.054 176.282 176.300 0.060 0.000 1.174 71 D CA -0.082 53.908 54.000 -0.017 0.000 1.008 71 D CB 1.229 41.988 40.800 -0.069 0.000 1.101 71 D HN 0.293 nan 8.370 nan 0.000 0.516 72 I N 1.616 122.263 120.570 0.128 0.000 2.534 72 I HA 0.026 4.196 4.170 0.000 0.000 0.286 72 I C -0.181 175.991 176.117 0.092 0.000 1.094 72 I CA -0.566 60.771 61.300 0.061 0.000 1.055 72 I CB 1.791 39.774 38.000 -0.028 0.000 1.225 72 I HN 0.295 nan 8.210 nan 0.000 0.435 73 D N 5.794 126.285 120.400 0.152 0.000 2.395 73 D HA 0.153 4.794 4.640 0.000 0.000 0.226 73 D C -0.109 176.410 176.300 0.365 0.000 1.146 73 D CA -0.002 54.136 54.000 0.229 0.000 0.830 73 D CB 0.082 41.009 40.800 0.212 0.000 0.958 73 D HN 0.318 nan 8.370 nan 0.000 0.501 74 F N -3.887 116.209 119.950 0.243 0.000 2.900 74 F HA 0.562 5.089 4.527 0.000 0.000 0.321 74 F C 0.697 176.628 175.800 0.220 0.000 1.160 74 F CA -0.378 57.762 58.000 0.233 0.000 0.890 74 F CB 0.939 40.041 39.000 0.171 0.000 1.334 74 F HN -0.087 nan 8.300 nan 0.000 0.459 75 G N 0.538 109.573 108.800 0.392 0.000 2.259 75 G HA2 -0.291 3.669 3.960 0.000 0.000 0.217 75 G HA3 -0.291 3.669 3.960 0.000 0.000 0.217 75 G C 0.700 175.384 174.900 -0.359 0.000 1.001 75 G CA 0.459 45.552 45.100 -0.012 0.000 0.627 75 G HN 1.156 nan 8.290 nan 0.000 0.501 76 H N -0.411 118.573 119.070 -0.143 0.000 2.431 76 H HA 0.007 4.564 4.556 0.000 0.000 0.297 76 H C 2.536 177.726 175.328 -0.229 0.000 1.115 76 H CA 2.178 58.141 56.048 -0.142 0.000 1.277 76 H CB -0.133 29.647 29.762 0.030 0.000 1.372 76 H HN 0.454 nan 8.280 nan 0.000 0.516 77 M N 0.165 119.712 119.600 -0.089 0.000 2.156 77 M HA -0.078 4.402 4.480 0.000 0.000 0.264 77 M C 1.715 177.848 176.300 -0.277 0.000 1.067 77 M CA 1.437 56.652 55.300 -0.141 0.000 1.131 77 M CB 0.184 32.726 32.600 -0.097 0.000 1.368 77 M HN 0.009 nan 8.290 nan 0.000 0.416 78 E N -0.183 119.738 120.200 -0.465 0.000 2.153 78 E HA -0.066 4.284 4.350 0.000 0.000 0.194 78 E C 1.928 178.237 176.600 -0.485 0.000 0.988 78 E CA 1.396 57.437 56.400 -0.598 0.000 0.811 78 E CB -0.458 28.517 29.700 -1.209 0.000 0.746 78 E HN 0.559 nan 8.360 nan 0.000 0.466 79 A N 0.031 122.521 122.820 -0.550 0.000 1.929 79 A HA -0.098 4.222 4.320 0.000 0.000 0.216 79 A C 2.297 179.693 177.584 -0.314 0.000 1.176 79 A CA 1.177 52.921 52.037 -0.489 0.000 0.628 79 A CB -0.354 18.240 19.000 -0.678 0.000 0.816 79 A HN 0.158 nan 8.150 nan 0.000 0.444 80 V N 0.879 120.643 119.914 -0.250 0.000 2.809 80 V HA -0.179 3.942 4.120 0.000 0.000 0.256 80 V C 2.082 178.060 176.094 -0.194 0.000 1.080 80 V CA 1.726 63.910 62.300 -0.194 0.000 1.102 80 V CB -1.133 30.617 31.823 -0.121 0.000 0.705 80 V HN 0.482 nan 8.190 nan 0.000 0.475 81 N N 0.879 119.458 118.700 -0.201 0.000 2.058 81 N HA -0.093 4.647 4.740 0.000 0.000 0.191 81 N C 1.731 177.134 175.510 -0.179 0.000 1.037 81 N CA 1.403 54.351 53.050 -0.171 0.000 0.848 81 N CB -0.524 37.864 38.487 -0.165 0.000 1.021 81 N HN 0.384 nan 8.380 nan 0.000 0.422 82 L N 0.520 121.618 121.223 -0.207 0.000 2.127 82 L HA -0.127 4.213 4.340 0.000 0.000 0.211 82 L C 1.908 178.626 176.870 -0.255 0.000 1.089 82 L CA 0.674 55.391 54.840 -0.204 0.000 0.757 82 L CB -0.433 41.501 42.059 -0.209 0.000 0.899 82 L HN 0.177 nan 8.230 nan 0.000 0.434 83 L N -1.090 119.940 121.223 -0.322 0.000 2.450 83 L HA -0.153 4.187 4.340 0.000 0.000 0.224 83 L C 2.172 178.848 176.870 -0.324 0.000 1.149 83 L CA 0.672 55.241 54.840 -0.452 0.000 0.816 83 L CB -0.288 41.472 42.059 -0.499 0.000 0.932 83 L HN 0.224 nan 8.230 nan 0.000 0.449 84 S N -1.961 113.599 115.700 -0.234 0.000 2.497 84 S HA 0.011 4.481 4.470 0.000 0.000 0.221 84 S C 1.021 175.508 174.600 -0.187 0.000 1.037 84 S CA -0.119 57.969 58.200 -0.187 0.000 0.920 84 S CB 0.255 63.376 63.200 -0.132 0.000 0.800 84 S HN 0.386 nan 8.310 nan 0.000 0.505 85 S N 2.205 117.804 115.700 -0.168 0.000 2.540 85 S HA -0.019 4.451 4.470 0.000 0.000 0.272 85 S C 0.889 175.402 174.600 -0.146 0.000 1.357 85 S CA -0.020 58.107 58.200 -0.121 0.000 1.011 85 S CB 0.140 63.284 63.200 -0.093 0.000 0.852 85 S HN 0.345 nan 8.310 nan 0.000 0.535 86 N N 1.393 120.066 118.700 -0.046 0.000 2.336 86 N HA 0.100 4.840 4.740 0.000 0.000 0.189 86 N C -0.228 175.388 175.510 0.176 0.000 1.113 86 N CA 0.244 53.320 53.050 0.043 0.000 0.858 86 N CB 0.078 38.621 38.487 0.094 0.000 0.970 86 N HN 0.483 nan 8.380 nan 0.000 0.471 87 R N 0.504 121.067 120.500 0.106 0.000 2.297 87 R HA 0.092 4.432 4.340 0.000 0.000 0.308 87 R C 0.689 177.110 176.300 0.202 0.000 1.029 87 R CA -0.514 55.682 56.100 0.160 0.000 0.929 87 R CB 0.948 31.304 30.300 0.093 0.000 1.046 87 R HN 0.092 nan 8.270 nan 0.000 0.461 88 Y N 3.423 123.833 120.300 0.183 0.000 2.081 88 Y HA -0.329 4.221 4.550 0.000 0.000 0.280 88 Y C 2.464 178.429 175.900 0.108 0.000 1.163 88 Y CA 2.604 60.816 58.100 0.188 0.000 1.135 88 Y CB -0.340 38.196 38.460 0.126 0.000 0.970 88 Y HN 0.729 nan 8.280 nan 0.000 0.498 89 T N -2.081 112.429 114.554 -0.073 0.000 2.929 89 T HA -0.157 4.193 4.350 0.000 0.000 0.271 89 T C 1.481 176.071 174.700 -0.184 0.000 1.085 89 T CA 1.710 63.691 62.100 -0.199 0.000 1.125 89 T CB -0.403 68.466 68.868 0.001 0.000 0.874 89 T HN 0.645 nan 8.240 nan 0.000 0.494 90 E N 0.744 120.874 120.200 -0.117 0.000 2.122 90 E HA 0.049 4.400 4.350 0.000 0.000 0.190 90 E C 2.402 178.907 176.600 -0.158 0.000 0.977 90 E CA 0.559 56.889 56.400 -0.117 0.000 0.820 90 E CB 0.040 29.696 29.700 -0.074 0.000 0.770 90 E HN 0.520 nan 8.360 nan 0.000 0.462 91 K N 0.976 121.283 120.400 -0.156 0.000 2.097 91 K HA -0.155 4.166 4.320 0.000 0.000 0.206 91 K C 2.301 178.844 176.600 -0.095 0.000 1.049 91 K CA 0.890 57.084 56.287 -0.156 0.000 0.933 91 K CB -0.027 32.440 32.500 -0.055 0.000 0.717 91 K HN 0.066 nan 8.250 nan 0.000 0.442 92 Q N 0.914 120.582 119.800 -0.220 0.000 2.061 92 Q HA -0.180 4.160 4.340 0.000 0.000 0.204 92 Q C 2.086 178.042 176.000 -0.074 0.000 0.984 92 Q CA 1.408 57.084 55.803 -0.212 0.000 0.846 92 Q CB 0.024 28.460 28.738 -0.504 0.000 0.902 92 Q HN 0.345 nan 8.270 nan 0.000 0.421 93 I N -0.171 120.336 120.570 -0.104 0.000 2.315 93 I HA -0.178 3.993 4.170 0.000 0.000 0.248 93 I C 2.321 178.427 176.117 -0.018 0.000 1.117 93 I CA 1.150 62.426 61.300 -0.040 0.000 1.404 93 I CB -0.938 37.028 38.000 -0.057 0.000 1.071 93 I HN 0.306 nan 8.210 nan 0.000 0.419 94 G N 0.207 108.939 108.800 -0.114 0.000 2.459 94 G HA2 -0.276 3.684 3.960 0.000 0.000 0.217 94 G HA3 -0.276 3.684 3.960 0.000 0.000 0.217 94 G C 1.613 176.454 174.900 -0.098 0.000 1.183 94 G CA 0.641 45.632 45.100 -0.181 0.000 0.776 94 G HN 0.299 nan 8.290 nan 0.000 0.552 95 Y N -0.382 119.903 120.300 -0.025 0.000 2.181 95 Y HA -0.063 4.487 4.550 0.000 0.000 0.288 95 Y C 2.671 178.584 175.900 0.021 0.000 1.146 95 Y CA 0.673 58.770 58.100 -0.005 0.000 1.164 95 Y CB -0.204 38.241 38.460 -0.025 0.000 0.982 95 Y HN 0.197 nan 8.280 nan 0.000 0.515 96 L N -0.503 120.823 121.223 0.171 0.000 2.042 96 L HA -0.249 4.091 4.340 0.000 0.000 0.210 96 L C 2.120 179.039 176.870 0.080 0.000 1.076 96 L CA 1.631 56.534 54.840 0.104 0.000 0.749 96 L CB -1.050 41.053 42.059 0.073 0.000 0.893 96 L HN 0.268 nan 8.230 nan 0.000 0.432 97 F N 0.291 120.212 119.950 -0.048 0.000 2.134 97 F HA -0.198 4.329 4.527 0.000 0.000 0.299 97 F C 2.191 177.915 175.800 -0.127 0.000 1.097 97 F CA 1.985 59.916 58.000 -0.115 0.000 1.264 97 F CB -0.058 38.851 39.000 -0.152 0.000 1.001 97 F HN 0.241 nan 8.300 nan 0.000 0.479 98 I N -3.014 117.686 120.570 0.217 0.000 3.419 98 I HA 0.044 4.214 4.170 0.000 0.000 0.286 98 I C 1.801 177.967 176.117 0.081 0.000 1.268 98 I CA 0.791 62.193 61.300 0.170 0.000 1.414 98 I CB -0.378 37.724 38.000 0.171 0.000 1.074 98 I HN -0.092 nan 8.210 nan 0.000 0.457 99 S N 0.987 116.726 115.700 0.065 0.000 2.395 99 S HA 0.024 4.495 4.470 0.000 0.000 0.225 99 S C 1.947 176.533 174.600 -0.024 0.000 1.027 99 S CA 1.115 59.337 58.200 0.037 0.000 0.965 99 S CB 0.023 63.255 63.200 0.055 0.000 0.812 99 S HN 0.364 nan 8.310 nan 0.000 0.482 100 V N 1.330 121.185 119.914 -0.097 0.000 2.331 100 V HA 0.098 4.218 4.120 0.000 0.000 0.242 100 V C 0.145 176.091 176.094 -0.248 0.000 1.034 100 V CA 1.050 63.264 62.300 -0.143 0.000 1.027 100 V CB -0.340 31.372 31.823 -0.186 0.000 0.667 100 V HN 0.284 nan 8.190 nan 0.000 0.457 101 L N 1.032 121.971 121.223 -0.473 0.000 2.264 101 L HA 0.471 4.811 4.340 0.000 0.000 0.287 101 L C -0.300 176.504 176.870 -0.110 0.000 1.039 101 L CA 0.283 54.830 54.840 -0.489 0.000 0.829 101 L CB 0.732 42.232 42.059 -0.932 0.000 1.211 101 L HN -0.046 nan 8.230 nan 0.000 0.427 102 V N 1.407 121.300 119.914 -0.036 0.000 3.267 102 V HA 0.712 4.832 4.120 0.000 0.000 0.317 102 V C -0.086 176.005 176.094 -0.006 0.000 1.131 102 V CA -0.865 61.447 62.300 0.021 0.000 1.031 102 V CB 1.897 33.730 31.823 0.017 0.000 1.159 102 V HN 0.933 nan 8.190 nan 0.000 0.454 103 N N -1.690 116.991 118.700 -0.031 0.000 2.927 103 N HA 0.209 4.949 4.740 0.000 0.000 0.248 103 N C -0.271 175.211 175.510 -0.046 0.000 1.443 103 N CA -0.477 52.530 53.050 -0.072 0.000 0.870 103 N CB 1.818 40.189 38.487 -0.193 0.000 1.444 103 N HN 0.384 nan 8.380 nan 0.000 0.519 104 S N -0.707 114.966 115.700 -0.045 0.000 2.593 104 S HA -0.030 4.440 4.470 0.000 0.000 0.217 104 S C 0.592 175.173 174.600 -0.032 0.000 0.966 104 S CA -0.330 57.854 58.200 -0.028 0.000 0.914 104 S CB -0.780 62.407 63.200 -0.021 0.000 0.776 104 S HN 0.605 nan 8.310 nan 0.000 0.523 105 N N 2.581 121.250 118.700 -0.052 0.000 2.399 105 N HA -0.041 4.699 4.740 0.000 0.000 0.284 105 N C 1.026 176.520 175.510 -0.028 0.000 1.283 105 N CA 0.003 53.025 53.050 -0.047 0.000 0.972 105 N CB 0.392 38.836 38.487 -0.072 0.000 1.328 105 N HN 0.275 nan 8.380 nan 0.000 0.486 106 S N 2.405 118.094 115.700 -0.019 0.000 2.441 106 S HA -0.276 4.194 4.470 0.000 0.000 0.242 106 S C 1.479 176.073 174.600 -0.009 0.000 1.018 106 S CA 1.316 59.509 58.200 -0.012 0.000 0.988 106 S CB -0.115 63.078 63.200 -0.011 0.000 0.778 106 S HN 0.783 nan 8.310 nan 0.000 0.498 107 E N 1.951 122.143 120.200 -0.013 0.000 2.014 107 E HA 0.027 4.377 4.350 0.000 0.000 0.190 107 E C 1.947 178.543 176.600 -0.007 0.000 0.980 107 E CA 0.909 57.303 56.400 -0.011 0.000 0.807 107 E CB -0.640 29.051 29.700 -0.014 0.000 0.770 107 E HN 0.491 nan 8.360 nan 0.000 0.451 108 L N 0.313 121.529 121.223 -0.012 0.000 2.021 108 L HA -0.232 4.108 4.340 0.000 0.000 0.215 108 L C 2.549 179.428 176.870 0.015 0.000 1.074 108 L CA 1.026 55.865 54.840 -0.003 0.000 0.760 108 L CB -0.638 41.415 42.059 -0.010 0.000 0.889 108 L HN 0.263 nan 8.230 nan 0.000 0.433 109 I N -0.457 120.121 120.570 0.014 0.000 2.236 109 I HA -0.316 3.854 4.170 0.000 0.000 0.249 109 I C 2.652 178.796 176.117 0.045 0.000 1.102 109 I CA 1.630 62.950 61.300 0.032 0.000 1.365 109 I CB -0.457 37.556 38.000 0.021 0.000 1.051 109 I HN 0.161 nan 8.210 nan 0.000 0.420 110 R N -0.661 119.855 120.500 0.027 0.000 2.290 110 R HA 0.172 4.512 4.340 0.000 0.000 0.197 110 R C 2.085 178.405 176.300 0.032 0.000 0.913 110 R CA 0.087 56.204 56.100 0.027 0.000 1.040 110 R CB 0.201 30.505 30.300 0.006 0.000 0.992 110 R HN 0.312 nan 8.270 nan 0.000 0.500 111 L N 0.202 121.440 121.223 0.024 0.000 2.095 111 L HA -0.081 4.259 4.340 0.000 0.000 0.204 111 L C 2.072 178.960 176.870 0.030 0.000 1.080 111 L CA 1.150 55.998 54.840 0.014 0.000 0.759 111 L CB -0.113 41.944 42.059 -0.005 0.000 0.914 111 L HN 0.177 nan 8.230 nan 0.000 0.439 112 I N -0.117 120.480 120.570 0.046 0.000 2.202 112 I HA -0.291 3.879 4.170 0.000 0.000 0.242 112 I C 2.000 178.204 176.117 0.146 0.000 1.091 112 I CA 1.010 62.355 61.300 0.074 0.000 1.368 112 I CB -0.386 37.666 38.000 0.087 0.000 1.058 112 I HN 0.309 nan 8.210 nan 0.000 0.410 113 N N 1.011 119.819 118.700 0.180 0.000 2.334 113 N HA -0.210 4.531 4.740 0.000 0.000 0.187 113 N C 1.496 177.184 175.510 0.296 0.000 1.016 113 N CA 1.252 54.494 53.050 0.320 0.000 0.879 113 N CB -0.551 38.049 38.487 0.189 0.000 0.965 113 N HN 0.372 nan 8.380 nan 0.000 0.438 114 N N 0.108 118.900 118.700 0.152 0.000 2.182 114 N HA 0.090 4.831 4.740 0.000 0.000 0.186 114 N C 1.603 177.175 175.510 0.103 0.000 1.036 114 N CA 1.194 54.310 53.050 0.110 0.000 0.850 114 N CB -0.286 38.231 38.487 0.050 0.000 1.010 114 N HN 0.161 nan 8.380 nan 0.000 0.432 115 A N 1.013 123.872 122.820 0.065 0.000 1.892 115 A HA -0.175 4.145 4.320 0.000 0.000 0.218 115 A C 2.205 179.852 177.584 0.106 0.000 1.188 115 A CA 1.405 53.464 52.037 0.037 0.000 0.631 115 A CB -1.076 17.898 19.000 -0.044 0.000 0.822 115 A HN 0.374 nan 8.150 nan 0.000 0.447 116 I N -0.294 120.368 120.570 0.154 0.000 2.208 116 I HA -0.324 3.846 4.170 0.000 0.000 0.245 116 I C 2.584 178.746 176.117 0.075 0.000 1.097 116 I CA 2.025 63.375 61.300 0.083 0.000 1.363 116 I CB -0.356 37.605 38.000 -0.065 0.000 1.051 116 I HN 0.492 nan 8.210 nan 0.000 0.413 117 K N 1.279 121.833 120.400 0.256 0.000 2.032 117 K HA -0.249 4.071 4.320 0.000 0.000 0.209 117 K C 1.860 178.557 176.600 0.161 0.000 1.048 117 K CA 2.160 58.635 56.287 0.313 0.000 0.927 117 K CB -0.124 32.532 32.500 0.259 0.000 0.712 117 K HN 0.236 nan 8.250 nan 0.000 0.441 118 N N 1.399 120.166 118.700 0.111 0.000 2.058 118 N HA -0.139 4.601 4.740 0.000 0.000 0.191 118 N C 1.408 176.966 175.510 0.080 0.000 1.037 118 N CA 1.708 54.803 53.050 0.075 0.000 0.848 118 N CB -0.517 37.993 38.487 0.039 0.000 1.021 118 N HN 0.276 nan 8.380 nan 0.000 0.422 119 D N 0.617 121.064 120.400 0.077 0.000 2.104 119 D HA -0.107 4.533 4.640 0.000 0.000 0.194 119 D C 2.096 178.463 176.300 0.112 0.000 0.994 119 D CA 0.558 54.624 54.000 0.111 0.000 0.830 119 D CB -0.501 40.372 40.800 0.121 0.000 0.959 119 D HN 0.200 nan 8.370 nan 0.000 0.452 120 L N 0.487 121.748 121.223 0.062 0.000 2.129 120 L HA -0.230 4.110 4.340 0.000 0.000 0.212 120 L C 2.323 179.235 176.870 0.070 0.000 1.087 120 L CA 1.309 56.176 54.840 0.044 0.000 0.757 120 L CB -0.244 41.831 42.059 0.028 0.000 0.896 120 L HN 0.017 nan 8.230 nan 0.000 0.434 121 A N -0.860 122.011 122.820 0.086 0.000 2.030 121 A HA -0.091 4.230 4.320 0.000 0.000 0.215 121 A C 2.318 179.952 177.584 0.082 0.000 1.164 121 A CA 0.930 53.014 52.037 0.079 0.000 0.697 121 A CB -0.380 18.666 19.000 0.078 0.000 0.827 121 A HN 0.475 nan 8.150 nan 0.000 0.457 122 S N -0.365 115.401 115.700 0.110 0.000 2.584 122 S HA -0.137 4.333 4.470 0.000 0.000 0.240 122 S C 1.029 175.692 174.600 0.104 0.000 0.975 122 S CA 0.772 59.052 58.200 0.133 0.000 0.949 122 S CB -0.626 62.718 63.200 0.239 0.000 0.761 122 S HN 0.544 nan 8.310 nan 0.000 0.536 123 R N 0.559 121.105 120.500 0.076 0.000 3.804 123 R HA -0.182 4.158 4.340 0.000 0.000 0.286 123 R C -0.356 175.957 176.300 0.022 0.000 1.192 123 R CA 0.919 57.045 56.100 0.043 0.000 0.801 123 R CB -2.098 28.222 30.300 0.033 0.000 1.180 123 R HN 0.669 nan 8.270 nan 0.000 0.509 124 N N 0.492 119.214 118.700 0.036 0.000 2.426 124 N HA 0.164 4.904 4.740 0.000 0.000 0.275 124 N C -1.806 173.649 175.510 -0.092 0.000 1.019 124 N CA -2.434 50.575 53.050 -0.070 0.000 0.941 124 N CB 1.534 39.934 38.487 -0.145 0.000 1.123 124 N HN -0.246 nan 8.380 nan 0.000 0.486 125 P HA -0.007 nan 4.420 nan 0.000 0.217 125 P C 0.858 178.093 177.300 -0.109 0.000 1.151 125 P CA 1.257 64.300 63.100 -0.096 0.000 0.828 125 P CB 0.245 31.885 31.700 -0.099 0.000 0.788 126 T N -1.164 113.266 114.554 -0.206 0.000 2.821 126 T HA -0.064 4.287 4.350 0.000 0.000 0.267 126 T C 1.521 176.253 174.700 0.052 0.000 1.046 126 T CA 1.196 63.205 62.100 -0.151 0.000 1.139 126 T CB -0.929 67.787 68.868 -0.253 0.000 0.871 126 T HN 0.115 nan 8.240 nan 0.000 0.454 127 F N 0.822 120.792 119.950 0.033 0.000 2.149 127 F HA 0.084 4.611 4.527 0.000 0.000 0.294 127 F C 2.662 178.453 175.800 -0.014 0.000 1.095 127 F CA 0.321 58.347 58.000 0.043 0.000 1.276 127 F CB -0.469 38.567 39.000 0.060 0.000 1.023 127 F HN 0.009 nan 8.300 nan 0.000 0.480 128 M N 0.657 120.350 119.600 0.155 0.000 2.108 128 M HA -0.201 4.279 4.480 0.000 0.000 0.257 128 M C 2.509 178.805 176.300 -0.005 0.000 1.071 128 M CA 1.950 57.281 55.300 0.052 0.000 1.093 128 M CB -1.239 31.375 32.600 0.022 0.000 1.345 128 M HN 0.325 nan 8.290 nan 0.000 0.403 129 G N 0.411 109.200 108.800 -0.018 0.000 2.453 129 G HA2 -0.204 3.756 3.960 0.000 0.000 0.215 129 G HA3 -0.204 3.756 3.960 0.000 0.000 0.215 129 G C 1.448 176.257 174.900 -0.152 0.000 1.201 129 G CA 0.586 45.642 45.100 -0.073 0.000 0.784 129 G HN 0.354 nan 8.290 nan 0.000 0.545 130 L N 0.699 121.827 121.223 -0.157 0.000 2.103 130 L HA -0.235 4.105 4.340 0.000 0.000 0.215 130 L C 3.341 179.845 176.870 -0.611 0.000 1.080 130 L CA 1.325 55.984 54.840 -0.301 0.000 0.764 130 L CB -0.265 41.736 42.059 -0.096 0.000 0.890 130 L HN 0.370 nan 8.230 nan 0.000 0.435 131 A N -0.429 122.132 122.820 -0.431 0.000 1.855 131 A HA -0.097 4.223 4.320 0.000 0.000 0.213 131 A C 2.150 179.553 177.584 -0.301 0.000 1.195 131 A CA 0.865 52.633 52.037 -0.448 0.000 0.610 131 A CB -0.639 18.224 19.000 -0.229 0.000 0.837 131 A HN 0.314 nan 8.150 nan 0.000 0.444 132 L N -0.849 120.277 121.223 -0.161 0.000 2.129 132 L HA -0.272 4.068 4.340 0.000 0.000 0.212 132 L C 2.569 179.405 176.870 -0.057 0.000 1.087 132 L CA 1.576 56.359 54.840 -0.094 0.000 0.757 132 L CB -0.713 41.344 42.059 -0.003 0.000 0.896 132 L HN 0.559 nan 8.230 nan 0.000 0.434 133 H N -2.161 116.789 119.070 -0.200 0.000 2.403 133 H HA -0.149 4.407 4.556 0.000 0.000 0.298 133 H C 2.421 177.648 175.328 -0.169 0.000 1.059 133 H CA 1.366 57.319 56.048 -0.159 0.000 1.363 133 H CB 0.154 29.835 29.762 -0.135 0.000 1.410 133 H HN 0.457 nan 8.280 nan 0.000 0.528 134 C N 1.005 120.221 119.300 -0.139 0.000 2.429 134 C HA -0.100 4.360 4.460 0.000 0.000 0.277 134 C C 2.732 177.673 174.990 -0.083 0.000 1.262 134 C CA 0.442 59.387 59.018 -0.121 0.000 1.733 134 C CB -1.268 26.348 27.740 -0.207 0.000 2.010 134 C HN 0.406 nan 8.230 nan 0.000 0.483 135 I N 1.497 121.983 120.570 -0.140 0.000 2.151 135 I HA -0.219 3.951 4.170 0.000 0.000 0.243 135 I C 2.825 178.900 176.117 -0.070 0.000 1.080 135 I CA 1.947 63.178 61.300 -0.114 0.000 1.339 135 I CB -0.508 37.377 38.000 -0.192 0.000 1.039 135 I HN 0.439 nan 8.210 nan 0.000 0.409 136 A N 0.342 123.104 122.820 -0.096 0.000 2.014 136 A HA -0.128 4.192 4.320 0.000 0.000 0.218 136 A C 1.955 179.495 177.584 -0.074 0.000 1.163 136 A CA 1.419 53.397 52.037 -0.099 0.000 0.652 136 A CB -0.436 18.462 19.000 -0.170 0.000 0.808 136 A HN 0.399 nan 8.150 nan 0.000 0.449 137 N N -0.339 118.325 118.700 -0.059 0.000 2.333 137 N HA -0.020 4.720 4.740 0.000 0.000 0.178 137 N C 1.543 177.046 175.510 -0.012 0.000 1.018 137 N CA 1.363 54.394 53.050 -0.032 0.000 0.882 137 N CB -0.050 38.429 38.487 -0.013 0.000 0.984 137 N HN 0.291 nan 8.380 nan 0.000 0.434 138 V N -0.364 119.547 119.914 -0.005 0.000 2.391 138 V HA 0.183 4.303 4.120 0.000 0.000 0.237 138 V C 1.495 177.598 176.094 0.013 0.000 1.046 138 V CA 1.239 63.546 62.300 0.012 0.000 1.053 138 V CB -1.049 30.791 31.823 0.029 0.000 0.704 138 V HN 0.348 nan 8.190 nan 0.000 0.475 139 G N 1.916 110.726 108.800 0.016 0.000 2.225 139 G HA2 -0.289 3.671 3.960 0.000 0.000 0.267 139 G HA3 -0.289 3.671 3.960 0.000 0.000 0.267 139 G C 0.394 175.313 174.900 0.032 0.000 1.024 139 G CA 0.573 45.687 45.100 0.023 0.000 0.784 139 G HN 0.943 nan 8.290 nan 0.000 0.507 140 S N -1.094 114.631 115.700 0.041 0.000 2.568 140 S HA 0.348 4.819 4.470 0.000 0.000 0.282 140 S C 1.510 176.135 174.600 0.042 0.000 1.338 140 S CA 0.621 58.844 58.200 0.039 0.000 1.045 140 S CB 1.435 64.661 63.200 0.044 0.000 0.873 140 S HN 0.735 nan 8.310 nan 0.000 0.516 141 R N 1.623 122.140 120.500 0.028 0.000 2.117 141 R HA -0.157 4.183 4.340 0.000 0.000 0.243 141 R C 1.758 178.074 176.300 0.028 0.000 1.143 141 R CA 2.237 58.351 56.100 0.023 0.000 0.968 141 R CB -0.912 29.395 30.300 0.011 0.000 0.863 141 R HN 0.849 nan 8.270 nan 0.000 0.444 142 E N -0.108 120.110 120.200 0.031 0.000 2.070 142 E HA -0.221 4.130 4.350 0.000 0.000 0.197 142 E C 1.946 178.572 176.600 0.045 0.000 1.004 142 E CA 2.289 58.706 56.400 0.028 0.000 0.805 142 E CB -0.194 29.526 29.700 0.035 0.000 0.744 142 E HN 0.426 nan 8.360 nan 0.000 0.451 143 M N -0.382 119.283 119.600 0.107 0.000 2.098 143 M HA -0.046 4.435 4.480 0.000 0.000 0.262 143 M C 2.435 178.854 176.300 0.198 0.000 1.072 143 M CA 1.268 56.707 55.300 0.231 0.000 1.133 143 M CB -0.420 32.347 32.600 0.278 0.000 1.344 143 M HN 0.173 nan 8.290 nan 0.000 0.414 144 A N 0.862 123.758 122.820 0.126 0.000 1.929 144 A HA -0.266 4.054 4.320 0.000 0.000 0.221 144 A C 1.958 179.570 177.584 0.047 0.000 1.211 144 A CA 2.289 54.379 52.037 0.089 0.000 0.657 144 A CB -0.983 18.047 19.000 0.051 0.000 0.827 144 A HN 0.593 nan 8.150 nan 0.000 0.462 145 E N -0.941 119.262 120.200 0.005 0.000 2.110 145 E HA -0.106 4.244 4.350 0.000 0.000 0.193 145 E C 2.286 178.812 176.600 -0.123 0.000 0.988 145 E CA 1.030 57.405 56.400 -0.041 0.000 0.804 145 E CB -0.246 29.429 29.700 -0.041 0.000 0.745 145 E HN 0.671 nan 8.360 nan 0.000 0.458 146 A N -0.114 122.556 122.820 -0.250 0.000 2.021 146 A HA -0.007 4.314 4.320 0.000 0.000 0.216 146 A C 1.404 178.534 177.584 -0.757 0.000 1.163 146 A CA 0.751 52.422 52.037 -0.610 0.000 0.676 146 A CB -0.082 18.332 19.000 -0.977 0.000 0.818 146 A HN 0.191 nan 8.150 nan 0.000 0.453 147 F N -2.077 117.876 119.950 0.005 0.000 2.817 147 F HA 0.376 4.903 4.527 0.000 0.000 0.333 147 F C 2.206 177.998 175.800 -0.013 0.000 1.085 147 F CA 0.081 58.079 58.000 -0.003 0.000 1.170 147 F CB 0.028 39.026 39.000 -0.005 0.000 1.066 147 F HN 0.142 nan 8.300 nan 0.000 0.564 148 A N 0.961 123.858 122.820 0.127 0.000 1.997 148 A HA -0.171 4.149 4.320 0.000 0.000 0.221 148 A C 2.471 180.084 177.584 0.048 0.000 1.172 148 A CA 2.208 54.290 52.037 0.075 0.000 0.645 148 A CB -1.415 17.620 19.000 0.059 0.000 0.813 148 A HN 0.431 nan 8.150 nan 0.000 0.454 149 G N -1.216 107.613 108.800 0.049 0.000 2.403 149 G HA2 -0.103 3.857 3.960 0.000 0.000 0.216 149 G HA3 -0.103 3.857 3.960 0.000 0.000 0.216 149 G C 1.446 176.368 174.900 0.036 0.000 1.154 149 G CA 0.933 46.060 45.100 0.044 0.000 0.784 149 G HN 0.638 nan 8.290 nan 0.000 0.538 150 E N -0.336 119.901 120.200 0.061 0.000 2.340 150 E HA 0.117 4.467 4.350 0.000 0.000 0.194 150 E C 2.405 179.010 176.600 0.009 0.000 0.996 150 E CA -0.302 56.132 56.400 0.056 0.000 0.869 150 E CB 0.158 29.928 29.700 0.117 0.000 0.835 150 E HN 0.257 nan 8.360 nan 0.000 0.493 151 I N 1.530 122.093 120.570 -0.011 0.000 2.226 151 I HA -0.149 4.022 4.170 0.000 0.000 0.245 151 I C -0.774 175.241 176.117 -0.170 0.000 1.100 151 I CA 1.306 62.561 61.300 -0.075 0.000 1.374 151 I CB -2.236 35.717 38.000 -0.078 0.000 1.057 151 I HN 0.040 nan 8.210 nan 0.000 0.413 152 P HA -0.148 nan 4.420 nan 0.000 0.214 152 P C 1.670 178.838 177.300 -0.221 0.000 1.162 152 P CA 1.521 64.324 63.100 -0.496 0.000 0.879 152 P CB -0.123 31.044 31.700 -0.888 0.000 0.786 153 K N -0.601 119.737 120.400 -0.104 0.000 2.127 153 K HA -0.204 4.116 4.320 0.000 0.000 0.212 153 K C 2.036 178.634 176.600 -0.004 0.000 1.050 153 K CA 1.587 57.871 56.287 -0.006 0.000 0.929 153 K CB -0.810 31.703 32.500 0.021 0.000 0.715 153 K HN 0.201 nan 8.250 nan 0.000 0.457 154 I N 0.289 120.843 120.570 -0.026 0.000 2.162 154 I HA -0.258 3.912 4.170 0.000 0.000 0.238 154 I C 2.308 178.412 176.117 -0.022 0.000 1.076 154 I CA 0.525 61.814 61.300 -0.018 0.000 1.353 154 I CB -0.350 37.634 38.000 -0.027 0.000 1.063 154 I HN 0.086 nan 8.210 nan 0.000 0.408 155 L N 1.275 122.466 121.223 -0.052 0.000 2.034 155 L HA -0.218 4.122 4.340 0.000 0.000 0.217 155 L C 2.475 179.348 176.870 0.005 0.000 1.077 155 L CA 2.364 57.177 54.840 -0.044 0.000 0.769 155 L CB -0.693 41.309 42.059 -0.095 0.000 0.890 155 L HN 0.298 nan 8.230 nan 0.000 0.435 156 V N -2.616 117.316 119.914 0.030 0.000 2.788 156 V HA 0.294 4.414 4.120 0.000 0.000 0.251 156 V C 1.506 177.643 176.094 0.071 0.000 1.068 156 V CA 0.204 62.556 62.300 0.086 0.000 1.090 156 V CB -1.895 30.018 31.823 0.150 0.000 0.710 156 V HN 0.453 nan 8.190 nan 0.000 0.467 157 A N 1.365 124.215 122.820 0.049 0.000 2.587 157 A HA 0.416 4.736 4.320 0.000 0.000 0.233 157 A C 1.729 179.338 177.584 0.041 0.000 1.049 157 A CA 0.675 52.738 52.037 0.043 0.000 0.754 157 A CB -0.091 18.927 19.000 0.030 0.000 0.977 157 A HN 0.663 nan 8.150 nan 0.000 0.509 158 G N 0.828 109.653 108.800 0.041 0.000 2.408 158 G HA2 -0.179 3.781 3.960 0.000 0.000 0.217 158 G HA3 -0.179 3.781 3.960 0.000 0.000 0.217 158 G C 0.908 175.826 174.900 0.029 0.000 1.150 158 G CA 1.105 46.230 45.100 0.041 0.000 0.776 158 G HN 0.912 nan 8.290 nan 0.000 0.542 159 D N 0.482 120.895 120.400 0.022 0.000 2.355 159 D HA -0.026 4.615 4.640 0.000 0.000 0.218 159 D C 0.394 176.697 176.300 0.005 0.000 1.004 159 D CA 0.235 54.243 54.000 0.014 0.000 0.880 159 D CB -0.684 40.124 40.800 0.014 0.000 0.911 159 D HN 0.108 nan 8.370 nan 0.000 0.528 160 T N 2.321 116.878 114.554 0.004 0.000 2.928 160 T HA 0.068 4.418 4.350 0.000 0.000 0.305 160 T C 0.933 175.620 174.700 -0.021 0.000 1.035 160 T CA -0.417 61.678 62.100 -0.008 0.000 1.145 160 T CB 0.806 69.669 68.868 -0.008 0.000 0.963 160 T HN 0.018 nan 8.240 nan 0.000 0.545 161 M N 2.773 122.353 119.600 -0.033 0.000 2.252 161 M HA 0.011 4.491 4.480 0.000 0.000 0.329 161 M C 1.139 177.392 176.300 -0.078 0.000 1.101 161 M CA -0.050 55.220 55.300 -0.050 0.000 1.117 161 M CB 0.135 32.702 32.600 -0.055 0.000 1.563 161 M HN 0.595 nan 8.290 nan 0.000 0.445 162 D N 0.862 121.193 120.400 -0.116 0.000 2.117 162 D HA -0.128 4.512 4.640 0.000 0.000 0.197 162 D C 1.954 178.107 176.300 -0.244 0.000 0.987 162 D CA 1.820 55.685 54.000 -0.225 0.000 0.829 162 D CB -0.063 40.514 40.800 -0.372 0.000 0.961 162 D HN 0.765 nan 8.370 nan 0.000 0.460 163 S N -0.082 115.513 115.700 -0.175 0.000 2.382 163 S HA -0.129 4.341 4.470 0.000 0.000 0.228 163 S C 2.122 176.685 174.600 -0.061 0.000 1.027 163 S CA 1.199 59.334 58.200 -0.108 0.000 0.991 163 S CB -0.431 62.727 63.200 -0.071 0.000 0.823 163 S HN 0.090 nan 8.310 nan 0.000 0.469 164 V N 1.686 121.564 119.914 -0.060 0.000 2.407 164 V HA -0.038 4.082 4.120 0.000 0.000 0.245 164 V C 2.731 178.801 176.094 -0.042 0.000 1.041 164 V CA 1.743 64.022 62.300 -0.035 0.000 1.040 164 V CB -0.712 31.091 31.823 -0.034 0.000 0.671 164 V HN 0.461 nan 8.190 nan 0.000 0.455 165 K N -0.229 120.136 120.400 -0.058 0.000 2.034 165 K HA -0.295 4.026 4.320 0.000 0.000 0.214 165 K C 2.339 178.905 176.600 -0.056 0.000 1.051 165 K CA 2.142 58.397 56.287 -0.054 0.000 0.931 165 K CB -0.255 32.209 32.500 -0.059 0.000 0.715 165 K HN 0.503 nan 8.250 nan 0.000 0.446 166 Q N -0.095 119.665 119.800 -0.067 0.000 2.029 166 Q HA -0.194 4.146 4.340 0.000 0.000 0.209 166 Q C 2.302 178.277 176.000 -0.043 0.000 0.999 166 Q CA 2.130 57.905 55.803 -0.047 0.000 0.857 166 Q CB -0.156 28.560 28.738 -0.036 0.000 0.926 166 Q HN 0.235 nan 8.270 nan 0.000 0.415 167 S N 0.245 115.932 115.700 -0.023 0.000 2.383 167 S HA -0.110 4.360 4.470 0.000 0.000 0.227 167 S C 1.979 176.537 174.600 -0.070 0.000 1.026 167 S CA 0.803 58.980 58.200 -0.039 0.000 0.981 167 S CB -0.243 63.010 63.200 0.089 0.000 0.818 167 S HN 0.493 nan 8.310 nan 0.000 0.472 168 A N 1.751 124.538 122.820 -0.055 0.000 1.892 168 A HA -0.038 4.282 4.320 0.000 0.000 0.218 168 A C 2.352 179.879 177.584 -0.094 0.000 1.188 168 A CA 1.916 53.909 52.037 -0.073 0.000 0.631 168 A CB -1.153 17.807 19.000 -0.066 0.000 0.822 168 A HN 0.529 nan 8.150 nan 0.000 0.447 169 A N -0.439 122.329 122.820 -0.086 0.000 1.877 169 A HA -0.004 4.316 4.320 0.000 0.000 0.216 169 A C 2.080 179.608 177.584 -0.095 0.000 1.186 169 A CA 1.461 53.443 52.037 -0.092 0.000 0.620 169 A CB -0.562 18.397 19.000 -0.069 0.000 0.822 169 A HN 0.462 nan 8.150 nan 0.000 0.443 170 L N -0.967 120.199 121.223 -0.095 0.000 2.376 170 L HA -0.137 4.204 4.340 0.000 0.000 0.219 170 L C 2.597 179.402 176.870 -0.108 0.000 1.133 170 L CA 0.696 55.475 54.840 -0.102 0.000 0.816 170 L CB -0.629 41.360 42.059 -0.117 0.000 0.933 170 L HN 0.681 nan 8.230 nan 0.000 0.449 171 C N -0.123 119.111 119.300 -0.111 0.000 2.522 171 C HA -0.075 4.385 4.460 0.000 0.000 0.280 171 C C 2.654 177.603 174.990 -0.068 0.000 1.303 171 C CA 0.108 59.065 59.018 -0.102 0.000 1.709 171 C CB -0.472 27.204 27.740 -0.106 0.000 2.071 171 C HN 0.469 nan 8.230 nan 0.000 0.492 172 L N 1.047 122.222 121.223 -0.080 0.000 2.081 172 L HA -0.085 4.255 4.340 0.000 0.000 0.212 172 L C 2.150 179.013 176.870 -0.012 0.000 1.080 172 L CA 1.826 56.623 54.840 -0.072 0.000 0.754 172 L CB -1.102 40.862 42.059 -0.157 0.000 0.893 172 L HN 0.381 nan 8.230 nan 0.000 0.433 173 L N -0.659 120.545 121.223 -0.032 0.000 2.141 173 L HA -0.157 4.183 4.340 0.000 0.000 0.209 173 L C 2.650 179.550 176.870 0.051 0.000 1.094 173 L CA 1.632 56.471 54.840 -0.002 0.000 0.763 173 L CB -0.655 41.373 42.059 -0.051 0.000 0.908 173 L HN 0.305 nan 8.230 nan 0.000 0.437 174 R N -0.418 120.090 120.500 0.014 0.000 2.092 174 R HA -0.057 4.283 4.340 0.000 0.000 0.231 174 R C 2.035 178.362 176.300 0.046 0.000 1.119 174 R CA 1.646 57.758 56.100 0.020 0.000 0.970 174 R CB -0.803 29.487 30.300 -0.016 0.000 0.864 174 R HN 0.447 nan 8.270 nan 0.000 0.440 175 L N -0.584 120.669 121.223 0.051 0.000 2.141 175 L HA -0.118 4.222 4.340 0.000 0.000 0.209 175 L C 2.079 179.009 176.870 0.099 0.000 1.094 175 L CA 1.310 56.188 54.840 0.063 0.000 0.763 175 L CB -0.498 41.595 42.059 0.056 0.000 0.908 175 L HN 0.248 nan 8.230 nan 0.000 0.437 176 Y N 0.694 121.002 120.300 0.014 0.000 2.395 176 Y HA -0.091 4.460 4.550 0.000 0.000 0.293 176 Y C 2.572 178.490 175.900 0.030 0.000 1.123 176 Y CA 1.092 59.214 58.100 0.038 0.000 1.227 176 Y CB 0.073 38.564 38.460 0.053 0.000 1.012 176 Y HN -0.028 nan 8.280 nan 0.000 0.552 177 R N -1.174 119.430 120.500 0.174 0.000 2.240 177 R HA -0.013 4.327 4.340 0.000 0.000 0.203 177 R C 1.848 178.151 176.300 0.004 0.000 1.011 177 R CA 1.298 57.448 56.100 0.084 0.000 1.007 177 R CB -0.119 30.238 30.300 0.096 0.000 0.911 177 R HN 0.242 nan 8.270 nan 0.000 0.468 178 T N -0.098 114.459 114.554 0.005 0.000 2.866 178 T HA 0.036 4.386 4.350 0.000 0.000 0.250 178 T C 0.542 175.225 174.700 -0.028 0.000 1.033 178 T CA 0.888 62.986 62.100 -0.004 0.000 1.145 178 T CB 0.266 69.143 68.868 0.014 0.000 0.866 178 T HN 0.063 nan 8.240 nan 0.000 0.434 179 S N 1.350 117.024 115.700 -0.043 0.000 2.293 179 S HA 0.321 4.791 4.470 0.000 0.000 0.154 179 S C -2.399 172.137 174.600 -0.106 0.000 1.602 179 S CA -0.839 57.328 58.200 -0.055 0.000 1.260 179 S CB 1.633 64.823 63.200 -0.017 0.000 1.270 179 S HN 0.128 nan 8.310 nan 0.000 0.416 180 P HA -0.185 nan 4.420 nan 0.000 0.218 180 P C 1.174 178.368 177.300 -0.178 0.000 1.146 180 P CA 1.243 64.094 63.100 -0.416 0.000 0.813 180 P CB 0.025 31.421 31.700 -0.508 0.000 0.778 181 D N 0.154 120.499 120.400 -0.091 0.000 2.092 181 D HA -0.167 4.473 4.640 0.000 0.000 0.193 181 D C 1.991 178.301 176.300 0.018 0.000 0.994 181 D CA 1.086 55.072 54.000 -0.024 0.000 0.828 181 D CB -1.114 39.675 40.800 -0.018 0.000 0.963 181 D HN 0.218 nan 8.370 nan 0.000 0.450 182 L N 0.811 122.044 121.223 0.018 0.000 2.353 182 L HA -0.063 4.277 4.340 0.000 0.000 0.220 182 L C 0.483 177.411 176.870 0.098 0.000 1.133 182 L CA 0.389 55.258 54.840 0.048 0.000 0.798 182 L CB 0.045 42.124 42.059 0.034 0.000 0.922 182 L HN -0.095 nan 8.230 nan 0.000 0.445 183 V N -0.287 119.704 119.914 0.128 0.000 2.334 183 V HA 0.237 4.357 4.120 0.000 0.000 0.267 183 V C -1.760 174.519 176.094 0.308 0.000 1.040 183 V CA -1.583 60.870 62.300 0.254 0.000 0.866 183 V CB 0.248 32.279 31.823 0.348 0.000 1.019 183 V HN 0.007 nan 8.190 nan 0.000 0.468 184 P HA 0.372 nan 4.420 nan 0.000 0.339 184 P C 0.026 177.488 177.300 0.271 0.000 1.376 184 P CA -0.143 63.109 63.100 0.254 0.000 0.797 184 P CB 0.393 32.229 31.700 0.226 0.000 1.872 185 M N -1.347 118.274 119.600 0.035 0.000 4.145 185 M HA 0.279 4.759 4.480 0.000 0.000 0.493 185 M C 0.532 176.494 176.300 -0.563 0.000 1.957 185 M CA -0.372 54.765 55.300 -0.272 0.000 0.584 185 M CB -0.099 32.407 32.600 -0.158 0.000 1.446 185 M HN 0.284 nan 8.290 nan 0.000 0.557 186 G N 1.714 110.116 108.800 -0.663 0.000 2.335 186 G HA2 -0.013 3.948 3.960 0.000 0.000 0.285 186 G HA3 -0.013 3.948 3.960 0.000 0.000 0.285 186 G C 0.544 175.048 174.900 -0.662 0.000 1.448 186 G CA 0.789 45.565 45.100 -0.540 0.000 1.070 186 G HN 0.582 nan 8.290 nan 0.000 0.564 187 D N -1.689 118.489 120.400 -0.369 0.000 2.289 187 D HA -0.107 4.534 4.640 0.000 0.000 0.207 187 D C 2.044 178.273 176.300 -0.118 0.000 0.966 187 D CA 1.064 54.950 54.000 -0.189 0.000 0.868 187 D CB -0.410 40.370 40.800 -0.034 0.000 0.943 187 D HN 0.700 nan 8.370 nan 0.000 0.514 188 W N 1.055 122.383 121.300 0.047 0.000 2.421 188 W HA -0.047 4.613 4.660 0.000 0.000 0.270 188 W C 0.910 177.485 176.519 0.093 0.000 1.233 188 W CA 0.733 58.117 57.345 0.065 0.000 1.226 188 W CB -1.517 27.985 29.460 0.071 0.000 1.121 188 W HN -0.125 nan 8.180 nan 0.000 0.579 189 T N 2.673 117.096 114.554 -0.219 0.000 2.536 189 T HA -0.357 3.993 4.350 0.000 0.000 0.263 189 T C 2.172 176.944 174.700 0.119 0.000 1.115 189 T CA 3.832 65.887 62.100 -0.075 0.000 1.180 189 T CB -0.835 67.784 68.868 -0.416 0.000 0.864 189 T HN 0.390 nan 8.240 nan 0.000 0.419 190 S N 1.062 116.765 115.700 0.005 0.000 2.440 190 S HA -0.073 4.397 4.470 0.000 0.000 0.238 190 S C 1.864 176.541 174.600 0.128 0.000 1.010 190 S CA 0.937 59.168 58.200 0.052 0.000 0.972 190 S CB -0.357 62.835 63.200 -0.013 0.000 0.774 190 S HN 0.404 nan 8.310 nan 0.000 0.501 191 R N -0.069 120.525 120.500 0.156 0.000 2.317 191 R HA 0.306 4.646 4.340 0.000 0.000 0.208 191 R C 1.232 177.682 176.300 0.250 0.000 0.914 191 R CA 0.248 56.462 56.100 0.191 0.000 1.060 191 R CB 0.126 30.516 30.300 0.149 0.000 1.015 191 R HN 0.360 nan 8.270 nan 0.000 0.498 192 V N -0.459 119.627 119.914 0.287 0.000 2.685 192 V HA -0.102 4.018 4.120 0.000 0.000 0.244 192 V C 2.076 178.294 176.094 0.207 0.000 1.054 192 V CA 0.854 63.309 62.300 0.257 0.000 1.076 192 V CB 0.413 32.443 31.823 0.345 0.000 0.725 192 V HN 0.021 nan 8.190 nan 0.000 0.467 193 V N 0.350 120.415 119.914 0.251 0.000 2.332 193 V HA -0.338 3.783 4.120 0.000 0.000 0.248 193 V C 2.430 178.623 176.094 0.164 0.000 1.055 193 V CA 2.653 65.079 62.300 0.210 0.000 1.038 193 V CB -0.939 31.029 31.823 0.241 0.000 0.651 193 V HN 0.744 nan 8.190 nan 0.000 0.450 194 H N -0.276 118.848 119.070 0.090 0.000 2.489 194 H HA -0.077 4.480 4.556 0.000 0.000 0.293 194 H C 1.906 177.266 175.328 0.054 0.000 1.066 194 H CA 1.283 57.369 56.048 0.063 0.000 1.305 194 H CB -0.271 29.527 29.762 0.060 0.000 1.386 194 H HN 0.374 nan 8.280 nan 0.000 0.551 195 L N -0.121 121.115 121.223 0.021 0.000 2.353 195 L HA -0.139 4.201 4.340 0.000 0.000 0.220 195 L C 1.960 178.786 176.870 -0.073 0.000 1.133 195 L CA 0.434 55.254 54.840 -0.034 0.000 0.798 195 L CB -0.208 41.868 42.059 0.028 0.000 0.922 195 L HN 0.391 nan 8.230 nan 0.000 0.445 196 L N -0.469 120.716 121.223 -0.063 0.000 2.201 196 L HA -0.173 4.167 4.340 0.000 0.000 0.212 196 L C 1.513 178.331 176.870 -0.087 0.000 1.105 196 L CA 0.752 55.559 54.840 -0.055 0.000 0.775 196 L CB -0.407 41.639 42.059 -0.023 0.000 0.913 196 L HN 0.367 nan 8.230 nan 0.000 0.440 197 N N -0.668 117.936 118.700 -0.160 0.000 2.383 197 N HA -0.029 4.711 4.740 0.000 0.000 0.192 197 N C 0.312 175.735 175.510 -0.144 0.000 1.141 197 N CA 0.213 53.165 53.050 -0.162 0.000 0.851 197 N CB -0.246 38.106 38.487 -0.224 0.000 0.976 197 N HN 0.284 nan 8.380 nan 0.000 0.465 198 D N 0.764 121.093 120.400 -0.120 0.000 2.400 198 D HA -0.069 4.571 4.640 0.000 0.000 0.238 198 D C 0.933 177.226 176.300 -0.012 0.000 1.157 198 D CA 0.156 54.123 54.000 -0.055 0.000 0.889 198 D CB 1.377 42.168 40.800 -0.015 0.000 1.199 198 D HN 0.114 nan 8.370 nan 0.000 0.436 199 Q N 1.802 121.616 119.800 0.023 0.000 2.020 199 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 199 Q C 0.326 176.363 176.000 0.061 0.000 0.982 199 Q CA 1.007 56.834 55.803 0.040 0.000 0.838 199 Q CB -0.062 28.710 28.738 0.058 0.000 0.899 199 Q HN 0.570 nan 8.270 nan 0.000 0.423 200 H N 0.298 119.371 119.070 0.004 0.000 2.975 200 H HA 0.017 4.574 4.556 0.000 0.000 0.303 200 H C 0.994 176.291 175.328 -0.053 0.000 1.023 200 H CA -0.079 55.983 56.048 0.023 0.000 1.473 200 H CB 0.486 30.271 29.762 0.038 0.000 1.498 200 H HN 0.224 nan 8.280 nan 0.000 0.549 201 L N 3.781 124.794 121.223 -0.349 0.000 2.156 201 L HA -0.044 4.296 4.340 0.000 0.000 0.208 201 L C 2.413 179.057 176.870 -0.376 0.000 1.095 201 L CA 1.168 55.714 54.840 -0.491 0.000 0.770 201 L CB -0.421 41.035 42.059 -1.005 0.000 0.914 201 L HN 0.917 nan 8.230 nan 0.000 0.439 202 G N -0.829 107.871 108.800 -0.166 0.000 2.471 202 G HA2 -0.132 3.829 3.960 0.000 0.000 0.219 202 G HA3 -0.132 3.829 3.960 0.000 0.000 0.219 202 G C 1.584 176.628 174.900 0.241 0.000 1.125 202 G CA 0.449 45.680 45.100 0.219 0.000 0.775 202 G HN 0.174 nan 8.290 nan 0.000 0.548 203 V N 0.529 120.656 119.914 0.356 0.000 2.307 203 V HA -0.159 3.962 4.120 0.000 0.000 0.245 203 V C 2.995 179.107 176.094 0.030 0.000 1.045 203 V CA 1.426 63.782 62.300 0.094 0.000 1.024 203 V CB -0.278 31.581 31.823 0.060 0.000 0.651 203 V HN 0.246 nan 8.190 nan 0.000 0.449 204 V N -0.181 119.737 119.914 0.006 0.000 2.287 204 V HA -0.322 3.798 4.120 0.000 0.000 0.248 204 V C 2.574 178.645 176.094 -0.038 0.000 1.053 204 V CA 2.742 65.021 62.300 -0.036 0.000 1.027 204 V CB -1.132 30.649 31.823 -0.070 0.000 0.646 204 V HN 0.601 nan 8.190 nan 0.000 0.447 205 T N 0.077 114.603 114.554 -0.047 0.000 2.759 205 T HA -0.173 4.177 4.350 0.000 0.000 0.269 205 T C 1.959 176.645 174.700 -0.023 0.000 1.042 205 T CA 1.692 63.773 62.100 -0.032 0.000 1.140 205 T CB -0.344 68.508 68.868 -0.027 0.000 0.864 205 T HN 0.601 nan 8.240 nan 0.000 0.455 206 A N 1.022 123.831 122.820 -0.018 0.000 1.898 206 A HA 0.383 4.703 4.320 0.000 0.000 0.214 206 A C 2.612 180.170 177.584 -0.043 0.000 1.183 206 A CA 1.403 53.421 52.037 -0.032 0.000 0.622 206 A CB -0.935 18.048 19.000 -0.028 0.000 0.824 206 A HN 0.473 nan 8.150 nan 0.000 0.444 207 A N -0.875 121.924 122.820 -0.034 0.000 1.933 207 A HA -0.086 4.234 4.320 0.000 0.000 0.218 207 A C 2.237 179.787 177.584 -0.057 0.000 1.175 207 A CA 2.248 54.264 52.037 -0.036 0.000 0.628 207 A CB -1.136 17.855 19.000 -0.015 0.000 0.814 207 A HN 0.395 nan 8.150 nan 0.000 0.444 208 T N -0.175 114.349 114.554 -0.050 0.000 2.951 208 T HA -0.044 4.306 4.350 0.000 0.000 0.268 208 T C 2.166 176.822 174.700 -0.074 0.000 1.073 208 T CA 1.452 63.519 62.100 -0.056 0.000 1.134 208 T CB -0.163 68.683 68.868 -0.036 0.000 0.884 208 T HN 0.502 nan 8.240 nan 0.000 0.479 209 S N 1.346 117.003 115.700 -0.071 0.000 2.387 209 S HA 0.038 4.508 4.470 0.000 0.000 0.226 209 S C 1.862 176.391 174.600 -0.118 0.000 1.026 209 S CA 0.395 58.547 58.200 -0.079 0.000 0.972 209 S CB -0.344 62.818 63.200 -0.063 0.000 0.814 209 S HN 0.232 nan 8.310 nan 0.000 0.477 210 L N 1.995 123.141 121.223 -0.128 0.000 2.056 210 L HA 0.105 4.445 4.340 0.000 0.000 0.207 210 L C 1.875 178.576 176.870 -0.281 0.000 1.078 210 L CA 1.556 56.290 54.840 -0.176 0.000 0.749 210 L CB -0.548 41.430 42.059 -0.134 0.000 0.901 210 L HN 0.269 nan 8.230 nan 0.000 0.433 211 I N -1.326 119.082 120.570 -0.271 0.000 2.394 211 I HA -0.246 3.924 4.170 0.000 0.000 0.251 211 I C 2.007 177.898 176.117 -0.376 0.000 1.136 211 I CA 1.342 62.387 61.300 -0.426 0.000 1.425 211 I CB -0.401 37.449 38.000 -0.249 0.000 1.079 211 I HN 0.249 nan 8.210 nan 0.000 0.425 212 T N -0.512 113.906 114.554 -0.227 0.000 2.942 212 T HA -0.091 4.259 4.350 0.000 0.000 0.265 212 T C 1.849 176.438 174.700 -0.185 0.000 1.062 212 T CA 1.483 63.479 62.100 -0.173 0.000 1.139 212 T CB -0.040 68.760 68.868 -0.113 0.000 0.883 212 T HN 0.295 nan 8.240 nan 0.000 0.468 213 T N 1.945 116.373 114.554 -0.210 0.000 3.014 213 T HA 0.240 4.591 4.350 0.000 0.000 0.263 213 T C 1.871 176.393 174.700 -0.296 0.000 1.078 213 T CA 0.382 62.369 62.100 -0.187 0.000 1.135 213 T CB -0.083 68.701 68.868 -0.139 0.000 0.895 213 T HN 0.236 nan 8.240 nan 0.000 0.480 214 L N 0.843 121.795 121.223 -0.453 0.000 2.044 214 L HA 0.068 4.409 4.340 0.000 0.000 0.205 214 L C 3.069 179.880 176.870 -0.098 0.000 1.075 214 L CA 1.111 55.689 54.840 -0.436 0.000 0.747 214 L CB -0.778 40.943 42.059 -0.563 0.000 0.903 214 L HN 0.206 nan 8.230 nan 0.000 0.435 215 A N -0.453 122.252 122.820 -0.191 0.000 2.084 215 A HA -0.239 4.081 4.320 0.000 0.000 0.221 215 A C 2.110 179.695 177.584 0.002 0.000 1.161 215 A CA 1.404 53.486 52.037 0.075 0.000 0.653 215 A CB -0.462 18.513 19.000 -0.042 0.000 0.802 215 A HN 0.521 nan 8.150 nan 0.000 0.457 216 Q N -1.135 118.642 119.800 -0.038 0.000 2.488 216 Q HA -0.023 4.317 4.340 0.000 0.000 0.211 216 Q C 0.753 176.785 176.000 0.053 0.000 0.967 216 Q CA 1.020 56.811 55.803 -0.020 0.000 0.926 216 Q CB 0.052 28.779 28.738 -0.018 0.000 0.992 216 Q HN 0.678 nan 8.270 nan 0.000 0.506 217 K N -0.661 119.808 120.400 0.116 0.000 2.585 217 K HA 0.170 4.490 4.320 0.000 0.000 0.210 217 K C -0.108 176.593 176.600 0.167 0.000 1.294 217 K CA -0.023 56.351 56.287 0.145 0.000 1.025 217 K CB 0.990 33.609 32.500 0.199 0.000 1.076 217 K HN -0.021 nan 8.250 nan 0.000 0.613 218 N N 1.065 119.887 118.700 0.203 0.000 2.628 218 N HA 0.124 4.864 4.740 0.000 0.000 0.299 218 N C -2.573 173.079 175.510 0.237 0.000 1.834 218 N CA -0.936 52.234 53.050 0.201 0.000 0.871 218 N CB 1.346 39.984 38.487 0.251 0.000 1.377 218 N HN -0.121 nan 8.380 nan 0.000 0.493 219 P HA -0.140 nan 4.420 nan 0.000 0.216 219 P C 1.285 178.787 177.300 0.337 0.000 1.150 219 P CA 1.416 64.670 63.100 0.258 0.000 0.843 219 P CB 0.522 32.315 31.700 0.155 0.000 0.787 220 E N -0.577 119.715 120.200 0.154 0.000 2.152 220 E HA -0.160 4.190 4.350 0.000 0.000 0.192 220 E C 1.968 178.542 176.600 -0.043 0.000 0.983 220 E CA 0.882 57.322 56.400 0.068 0.000 0.818 220 E CB -0.571 29.142 29.700 0.022 0.000 0.758 220 E HN 0.378 nan 8.360 nan 0.000 0.467 221 E N -0.506 119.587 120.200 -0.179 0.000 2.204 221 E HA -0.093 4.257 4.350 0.000 0.000 0.194 221 E C 0.711 176.950 176.600 -0.601 0.000 0.989 221 E CA 0.803 56.897 56.400 -0.510 0.000 0.824 221 E CB -0.006 29.175 29.700 -0.865 0.000 0.756 221 E HN 0.195 nan 8.360 nan 0.000 0.477 222 F N -0.736 119.272 119.950 0.096 0.000 2.661 222 F HA 0.291 4.818 4.527 0.000 0.000 0.306 222 F C 1.506 177.344 175.800 0.064 0.000 1.094 222 F CA -0.418 57.653 58.000 0.118 0.000 1.254 222 F CB 0.374 39.481 39.000 0.178 0.000 1.040 222 F HN -0.154 nan 8.300 nan 0.000 0.562 223 K N 0.701 121.138 120.400 0.061 0.000 2.520 223 K HA -0.131 4.190 4.320 0.000 0.000 0.197 223 K C 1.163 177.623 176.600 -0.232 0.000 1.043 223 K CA 1.554 57.655 56.287 -0.310 0.000 0.944 223 K CB -0.160 32.239 32.500 -0.168 0.000 0.770 223 K HN 0.237 nan 8.250 nan 0.000 0.480 224 T N -0.728 113.786 114.554 -0.066 0.000 3.055 224 T HA -0.083 4.267 4.350 0.000 0.000 0.265 224 T C 1.767 176.462 174.700 -0.008 0.000 1.111 224 T CA 1.066 63.148 62.100 -0.031 0.000 1.118 224 T CB 0.011 68.889 68.868 0.016 0.000 0.909 224 T HN 0.324 nan 8.240 nan 0.000 0.501 225 S N 1.080 116.794 115.700 0.022 0.000 2.489 225 S HA 0.023 4.493 4.470 0.000 0.000 0.228 225 S C 1.997 176.602 174.600 0.008 0.000 0.995 225 S CA 0.084 58.318 58.200 0.057 0.000 0.934 225 S CB -0.681 62.603 63.200 0.140 0.000 0.771 225 S HN 0.291 nan 8.310 nan 0.000 0.522 226 V N 2.363 122.225 119.914 -0.088 0.000 2.358 226 V HA -0.123 3.997 4.120 0.000 0.000 0.246 226 V C 3.064 179.141 176.094 -0.029 0.000 1.047 226 V CA 1.900 64.159 62.300 -0.069 0.000 1.035 226 V CB -1.175 30.541 31.823 -0.177 0.000 0.658 226 V HN 0.745 nan 8.190 nan 0.000 0.452 227 S N -0.303 115.372 115.700 -0.041 0.000 2.402 227 S HA -0.182 4.289 4.470 0.000 0.000 0.233 227 S C 1.861 176.459 174.600 -0.002 0.000 1.030 227 S CA 1.887 60.076 58.200 -0.019 0.000 1.003 227 S CB -0.286 62.903 63.200 -0.019 0.000 0.813 227 S HN 0.536 nan 8.310 nan 0.000 0.477 228 L N 0.617 121.842 121.223 0.003 0.000 2.130 228 L HA 0.266 4.607 4.340 0.000 0.000 0.200 228 L C 3.131 180.004 176.870 0.005 0.000 1.075 228 L CA 0.801 55.645 54.840 0.007 0.000 0.768 228 L CB -0.898 41.168 42.059 0.012 0.000 0.933 228 L HN 0.377 nan 8.230 nan 0.000 0.451 229 A N -0.069 122.758 122.820 0.011 0.000 1.986 229 A HA -0.173 4.147 4.320 0.000 0.000 0.220 229 A C 2.351 179.940 177.584 0.009 0.000 1.171 229 A CA 1.898 53.942 52.037 0.012 0.000 0.640 229 A CB -0.828 18.189 19.000 0.027 0.000 0.811 229 A HN 0.202 nan 8.150 nan 0.000 0.451 230 V N -0.570 119.352 119.914 0.013 0.000 2.255 230 V HA -0.192 3.928 4.120 0.000 0.000 0.243 230 V C 2.751 178.849 176.094 0.006 0.000 1.038 230 V CA 2.306 64.613 62.300 0.012 0.000 1.008 230 V CB -0.710 31.124 31.823 0.017 0.000 0.645 230 V HN 0.573 nan 8.190 nan 0.000 0.449 231 S N -0.535 115.168 115.700 0.004 0.000 2.420 231 S HA -0.193 4.277 4.470 0.000 0.000 0.237 231 S C 2.032 176.631 174.600 -0.001 0.000 1.023 231 S CA 1.241 59.443 58.200 0.002 0.000 0.991 231 S CB -0.248 62.954 63.200 0.003 0.000 0.792 231 S HN 0.415 nan 8.310 nan 0.000 0.488 232 R N 0.316 120.813 120.500 -0.005 0.000 2.075 232 R HA 0.227 4.568 4.340 0.000 0.000 0.220 232 R C 2.242 178.537 176.300 -0.008 0.000 1.118 232 R CA 0.446 56.539 56.100 -0.011 0.000 0.986 232 R CB -1.197 29.091 30.300 -0.021 0.000 0.884 232 R HN 0.337 nan 8.270 nan 0.000 0.439 233 L N 1.327 122.546 121.223 -0.006 0.000 2.127 233 L HA -0.129 4.211 4.340 0.000 0.000 0.211 233 L C 2.237 179.106 176.870 -0.001 0.000 1.089 233 L CA 1.477 56.313 54.840 -0.005 0.000 0.757 233 L CB -0.368 41.688 42.059 -0.005 0.000 0.899 233 L HN 0.050 nan 8.230 nan 0.000 0.434 234 S N -0.750 114.951 115.700 0.002 0.000 2.355 234 S HA -0.148 4.322 4.470 0.000 0.000 0.222 234 S C 2.029 176.633 174.600 0.006 0.000 1.031 234 S CA 1.260 59.463 58.200 0.004 0.000 0.993 234 S CB -0.143 63.060 63.200 0.005 0.000 0.859 234 S HN 0.446 nan 8.310 nan 0.000 0.453 235 R N 0.143 120.646 120.500 0.005 0.000 2.189 235 R HA 0.142 4.482 4.340 0.000 0.000 0.218 235 R C 1.981 178.288 176.300 0.011 0.000 1.074 235 R CA 0.760 56.865 56.100 0.007 0.000 0.991 235 R CB -0.198 30.104 30.300 0.004 0.000 0.883 235 R HN 0.418 nan 8.270 nan 0.000 0.457 236 I N 0.063 120.638 120.570 0.008 0.000 2.235 236 I HA -0.180 3.990 4.170 0.000 0.000 0.241 236 I C 1.932 178.063 176.117 0.024 0.000 1.085 236 I CA 0.918 62.227 61.300 0.015 0.000 1.378 236 I CB -0.021 37.982 38.000 0.006 0.000 1.076 236 I HN 0.002 nan 8.210 nan 0.000 0.415 237 V N -1.598 118.326 119.914 0.017 0.000 3.510 237 V HA -0.054 4.066 4.120 0.000 0.000 0.270 237 V C 1.845 177.952 176.094 0.022 0.000 1.201 237 V CA 1.268 63.580 62.300 0.020 0.000 1.166 237 V CB -1.844 29.985 31.823 0.010 0.000 0.825 237 V HN 0.533 nan 8.190 nan 0.000 0.484 238 T N -0.654 113.913 114.554 0.022 0.000 3.207 238 T HA 0.074 4.424 4.350 0.000 0.000 0.229 238 T C 1.103 175.820 174.700 0.029 0.000 0.999 238 T CA 0.738 62.850 62.100 0.021 0.000 1.386 238 T CB -1.069 67.809 68.868 0.016 0.000 1.130 238 T HN 0.681 nan 8.240 nan 0.000 0.435 239 S N 2.854 118.571 115.700 0.029 0.000 2.784 239 S HA 0.425 4.896 4.470 0.000 0.000 0.322 239 S C 0.898 175.527 174.600 0.049 0.000 1.234 239 S CA -0.461 57.760 58.200 0.035 0.000 1.064 239 S CB -0.193 63.028 63.200 0.034 0.000 0.787 239 S HN 0.851 nan 8.310 nan 0.000 0.506 240 A N 4.117 126.965 122.820 0.048 0.000 2.847 240 A HA 0.255 4.575 4.320 0.000 0.000 0.194 240 A C 1.974 179.612 177.584 0.089 0.000 1.893 240 A CA 0.592 52.666 52.037 0.060 0.000 0.983 240 A CB -1.034 17.991 19.000 0.042 0.000 1.762 240 A HN 0.790 nan 8.150 nan 0.000 0.802 241 S N -1.085 114.676 115.700 0.100 0.000 2.446 241 S HA -0.048 4.422 4.470 0.000 0.000 0.225 241 S C 1.985 176.656 174.600 0.118 0.000 1.016 241 S CA 1.378 59.667 58.200 0.149 0.000 0.943 241 S CB -0.398 62.928 63.200 0.210 0.000 0.786 241 S HN 0.914 nan 8.310 nan 0.000 0.508 242 T N 0.196 114.800 114.554 0.083 0.000 2.942 242 T HA 0.018 4.368 4.350 0.000 0.000 0.265 242 T C 0.624 175.361 174.700 0.061 0.000 1.062 242 T CA 0.449 62.589 62.100 0.066 0.000 1.139 242 T CB -0.296 68.601 68.868 0.048 0.000 0.883 242 T HN 0.104 nan 8.240 nan 0.000 0.468 243 D N 1.706 122.143 120.400 0.062 0.000 2.314 243 D HA 0.200 4.841 4.640 0.000 0.000 0.252 243 D C 1.020 177.366 176.300 0.077 0.000 1.295 243 D CA -0.500 53.536 54.000 0.060 0.000 0.995 243 D CB -0.006 40.825 40.800 0.052 0.000 1.125 243 D HN 0.312 nan 8.370 nan 0.000 0.537 244 L N -0.117 121.154 121.223 0.081 0.000 4.191 244 L HA -0.317 4.023 4.340 0.000 0.000 0.480 244 L C 1.648 178.596 176.870 0.129 0.000 1.095 244 L CA 0.190 55.100 54.840 0.116 0.000 0.747 244 L CB -1.481 40.651 42.059 0.122 0.000 1.700 244 L HN 0.389 nan 8.230 nan 0.000 0.835 245 Q N 0.762 120.616 119.800 0.090 0.000 1.935 245 Q HA -0.255 4.085 4.340 0.000 0.000 0.212 245 Q C 1.533 177.561 176.000 0.045 0.000 1.008 245 Q CA 2.527 58.368 55.803 0.063 0.000 0.868 245 Q CB -0.010 28.749 28.738 0.036 0.000 0.946 245 Q HN 0.696 nan 8.270 nan 0.000 0.418 246 D N -0.868 119.529 120.400 -0.006 0.000 2.218 246 D HA -0.148 4.492 4.640 0.000 0.000 0.204 246 D C 1.369 177.544 176.300 -0.208 0.000 0.976 246 D CA 1.203 55.117 54.000 -0.144 0.000 0.853 246 D CB -0.158 40.478 40.800 -0.274 0.000 0.939 246 D HN 0.383 nan 8.370 nan 0.000 0.481 247 Y N 0.504 120.833 120.300 0.049 0.000 2.466 247 Y HA 0.090 4.640 4.550 0.000 0.000 0.272 247 Y C 0.782 176.773 175.900 0.151 0.000 1.169 247 Y CA 0.145 58.297 58.100 0.086 0.000 1.285 247 Y CB 0.382 38.871 38.460 0.048 0.000 1.078 247 Y HN -0.276 nan 8.280 nan 0.000 0.523 248 T N 1.330 116.023 114.554 0.231 0.000 2.752 248 T HA -0.002 4.349 4.350 0.000 0.000 0.295 248 T C -1.092 173.755 174.700 0.246 0.000 0.923 248 T CA 0.027 62.260 62.100 0.223 0.000 1.112 248 T CB -0.216 68.751 68.868 0.166 0.000 0.884 248 T HN 0.160 nan 8.240 nan 0.000 0.525 249 Y N 4.399 124.794 120.300 0.159 0.000 2.464 249 Y HA 0.338 4.889 4.550 0.000 0.000 0.326 249 Y C -0.535 175.503 175.900 0.230 0.000 0.969 249 Y CA -1.065 57.144 58.100 0.182 0.000 1.270 249 Y CB 0.189 38.784 38.460 0.224 0.000 1.103 249 Y HN 0.679 nan 8.280 nan 0.000 0.491 250 Y N 6.243 126.298 120.300 -0.409 0.000 3.929 250 Y HA -0.373 4.177 4.550 0.000 0.000 0.225 250 Y C 0.397 176.244 175.900 -0.088 0.000 1.200 250 Y CA 1.157 58.989 58.100 -0.446 0.000 1.791 250 Y CB -2.686 35.555 38.460 -0.365 0.000 1.561 250 Y HN 0.945 nan 8.280 nan 0.000 0.657 251 F N -4.668 115.427 119.950 0.242 0.000 2.411 251 F HA -0.255 4.272 4.527 0.000 0.000 0.393 251 F C 0.215 176.151 175.800 0.228 0.000 0.576 251 F CA 0.227 58.353 58.000 0.210 0.000 1.609 251 F CB -1.426 37.678 39.000 0.173 0.000 2.186 251 F HN -0.137 nan 8.300 nan 0.000 0.274 252 V N 2.545 122.666 119.914 0.346 0.000 2.304 252 V HA 0.276 4.396 4.120 0.000 0.000 0.269 252 V C -1.813 174.383 176.094 0.170 0.000 1.036 252 V CA -1.538 60.880 62.300 0.196 0.000 0.840 252 V CB 0.885 32.759 31.823 0.085 0.000 1.036 252 V HN -0.151 nan 8.190 nan 0.000 0.466 253 P HA 0.173 nan 4.420 nan 0.000 0.268 253 P C 0.333 177.702 177.300 0.116 0.000 1.282 253 P CA 0.655 63.841 63.100 0.142 0.000 0.880 253 P CB 0.685 32.452 31.700 0.112 0.000 0.971 254 A N 5.152 128.078 122.820 0.177 0.000 2.303 254 A HA -0.137 4.183 4.320 0.000 0.000 0.286 254 A C -1.472 176.153 177.584 0.068 0.000 1.429 254 A CA -0.056 52.085 52.037 0.175 0.000 0.738 254 A CB -2.123 16.931 19.000 0.090 0.000 1.149 254 A HN 0.369 nan 8.150 nan 0.000 0.364 255 P HA -0.128 nan 4.420 nan 0.000 0.215 255 P C 1.688 178.832 177.300 -0.259 0.000 1.157 255 P CA 1.379 64.307 63.100 -0.287 0.000 0.859 255 P CB -0.112 31.155 31.700 -0.722 0.000 0.786 256 W N -0.331 120.933 121.300 -0.060 0.000 2.354 256 W HA -0.089 4.571 4.660 0.000 0.000 0.315 256 W C 2.115 178.601 176.519 -0.055 0.000 1.206 256 W CA 0.452 57.758 57.345 -0.066 0.000 1.290 256 W CB -1.428 27.986 29.460 -0.075 0.000 1.152 256 W HN -0.069 nan 8.180 nan 0.000 0.489 257 L N 1.202 122.526 121.223 0.168 0.000 2.043 257 L HA -0.237 4.103 4.340 0.000 0.000 0.212 257 L C 2.366 179.243 176.870 0.013 0.000 1.075 257 L CA 2.217 57.085 54.840 0.046 0.000 0.752 257 L CB -1.162 40.882 42.059 -0.026 0.000 0.891 257 L HN -0.257 nan 8.230 nan 0.000 0.432 258 S N -1.303 114.396 115.700 -0.001 0.000 2.368 258 S HA -0.149 4.321 4.470 0.000 0.000 0.225 258 S C 1.948 176.532 174.600 -0.028 0.000 1.030 258 S CA 1.373 59.559 58.200 -0.022 0.000 0.999 258 S CB -0.418 62.761 63.200 -0.037 0.000 0.844 258 S HN 0.357 nan 8.310 nan 0.000 0.459 259 V N 1.716 121.608 119.914 -0.037 0.000 2.626 259 V HA -0.119 4.001 4.120 0.000 0.000 0.252 259 V C 2.171 178.259 176.094 -0.009 0.000 1.067 259 V CA 1.476 63.756 62.300 -0.033 0.000 1.081 259 V CB -0.426 31.362 31.823 -0.058 0.000 0.686 259 V HN 0.418 nan 8.190 nan 0.000 0.468 260 K N -0.428 119.976 120.400 0.008 0.000 2.167 260 K HA 0.066 4.386 4.320 0.000 0.000 0.203 260 K C 2.006 178.598 176.600 -0.013 0.000 1.052 260 K CA 0.873 57.161 56.287 0.002 0.000 0.956 260 K CB -0.084 32.424 32.500 0.014 0.000 0.735 260 K HN 0.370 nan 8.250 nan 0.000 0.451 261 L N 0.828 122.044 121.223 -0.013 0.000 2.156 261 L HA -0.122 4.218 4.340 0.000 0.000 0.208 261 L C 2.169 179.029 176.870 -0.017 0.000 1.095 261 L CA 0.840 55.673 54.840 -0.011 0.000 0.770 261 L CB -0.354 41.698 42.059 -0.011 0.000 0.914 261 L HN 0.137 nan 8.230 nan 0.000 0.439 262 L N -0.576 120.630 121.223 -0.028 0.000 2.109 262 L HA -0.124 4.216 4.340 0.000 0.000 0.207 262 L C 2.722 179.552 176.870 -0.066 0.000 1.086 262 L CA 0.731 55.543 54.840 -0.046 0.000 0.760 262 L CB -0.320 41.713 42.059 -0.044 0.000 0.910 262 L HN 0.144 nan 8.230 nan 0.000 0.437 263 R N 0.332 120.800 120.500 -0.054 0.000 2.148 263 R HA -0.149 4.191 4.340 0.000 0.000 0.227 263 R C 2.032 178.286 176.300 -0.077 0.000 1.103 263 R CA 1.030 57.088 56.100 -0.069 0.000 0.983 263 R CB -0.320 29.952 30.300 -0.046 0.000 0.874 263 R HN 0.212 nan 8.270 nan 0.000 0.451 264 L N -0.161 121.035 121.223 -0.045 0.000 2.109 264 L HA 0.047 4.387 4.340 0.000 0.000 0.207 264 L C 1.541 178.428 176.870 0.030 0.000 1.086 264 L CA 1.598 56.427 54.840 -0.018 0.000 0.760 264 L CB -0.243 41.824 42.059 0.012 0.000 0.910 264 L HN 0.220 nan 8.230 nan 0.000 0.437 265 L N -0.719 120.518 121.223 0.023 0.000 2.456 265 L HA -0.155 4.185 4.340 0.000 0.000 0.224 265 L C 2.272 179.137 176.870 -0.008 0.000 1.148 265 L CA 0.789 55.670 54.840 0.069 0.000 0.825 265 L CB -0.488 41.584 42.059 0.021 0.000 0.937 265 L HN 0.465 nan 8.230 nan 0.000 0.450 266 Q N -1.334 118.365 119.800 -0.168 0.000 2.432 266 Q HA -0.058 4.282 4.340 0.000 0.000 0.205 266 Q C 2.063 177.848 176.000 -0.358 0.000 0.945 266 Q CA 0.573 56.113 55.803 -0.438 0.000 0.924 266 Q CB 0.101 28.541 28.738 -0.497 0.000 1.016 266 Q HN 0.552 nan 8.270 nan 0.000 0.503 267 C N 0.313 119.481 119.300 -0.219 0.000 2.539 267 C HA 0.085 4.545 4.460 0.000 0.000 0.271 267 C C 0.427 175.133 174.990 -0.473 0.000 1.412 267 C CA 0.046 58.863 59.018 -0.335 0.000 1.729 267 C CB -1.452 26.022 27.740 -0.442 0.000 1.739 267 C HN 0.304 nan 8.230 nan 0.000 0.570 268 Y N -0.784 119.559 120.300 0.072 0.000 2.638 268 Y HA 0.468 5.018 4.550 0.000 0.000 0.339 268 Y C -2.388 173.651 175.900 0.232 0.000 1.084 268 Y CA -2.372 55.807 58.100 0.132 0.000 1.068 268 Y CB 0.893 39.415 38.460 0.104 0.000 1.294 268 Y HN -0.201 nan 8.280 nan 0.000 0.480 269 P HA 0.240 nan 4.420 nan 0.000 0.277 269 P C -2.724 174.596 177.300 0.034 0.000 1.271 269 P CA -1.488 61.727 63.100 0.192 0.000 0.795 269 P CB -0.005 31.755 31.700 0.101 0.000 1.101 270 P HA 0.111 nan 4.420 nan 0.000 0.266 270 P C -2.315 174.903 177.300 -0.137 0.000 1.195 270 P CA -0.677 62.084 63.100 -0.566 0.000 0.768 270 P CB -1.265 30.097 31.700 -0.564 0.000 0.838 271 P HA -0.113 nan 4.420 nan 0.000 0.258 271 P C 1.081 178.355 177.300 -0.043 0.000 1.172 271 P CA 0.565 63.654 63.100 -0.020 0.000 0.762 271 P CB 0.264 31.965 31.700 0.002 0.000 0.764 272 E N 2.278 122.452 120.200 -0.043 0.000 2.085 272 E HA -0.195 4.155 4.350 0.000 0.000 0.194 272 E C 0.521 177.100 176.600 -0.035 0.000 0.994 272 E CA 1.231 57.607 56.400 -0.039 0.000 0.801 272 E CB -0.700 28.978 29.700 -0.036 0.000 0.743 272 E HN 0.433 nan 8.360 nan 0.000 0.453 273 D N 1.875 122.256 120.400 -0.032 0.000 2.317 273 D HA 0.079 4.719 4.640 0.000 0.000 0.252 273 D C -1.815 174.472 176.300 -0.023 0.000 1.174 273 D CA -2.647 51.337 54.000 -0.026 0.000 0.866 273 D CB 1.579 42.365 40.800 -0.023 0.000 1.127 273 D HN -0.282 nan 8.370 nan 0.000 0.467 274 P HA -0.184 nan 4.420 nan 0.000 0.217 274 P C 0.877 178.169 177.300 -0.014 0.000 1.148 274 P CA 1.864 64.953 63.100 -0.020 0.000 0.834 274 P CB 0.183 31.872 31.700 -0.019 0.000 0.783 275 A N -0.988 121.826 122.820 -0.011 0.000 1.873 275 A HA -0.132 4.188 4.320 0.000 0.000 0.215 275 A C 2.319 179.900 177.584 -0.004 0.000 1.186 275 A CA 1.750 53.782 52.037 -0.007 0.000 0.616 275 A CB -1.515 17.481 19.000 -0.006 0.000 0.823 275 A HN 0.032 nan 8.150 nan 0.000 0.442 276 V N -0.038 119.872 119.914 -0.006 0.000 2.270 276 V HA -0.211 3.909 4.120 0.000 0.000 0.245 276 V C 2.595 178.693 176.094 0.006 0.000 1.043 276 V CA 2.086 64.385 62.300 -0.001 0.000 1.014 276 V CB -0.815 31.004 31.823 -0.007 0.000 0.645 276 V HN 0.608 nan 8.190 nan 0.000 0.447 277 R N 0.172 120.672 120.500 -0.001 0.000 2.170 277 R HA -0.171 4.169 4.340 0.000 0.000 0.242 277 R C 2.222 178.526 176.300 0.007 0.000 1.145 277 R CA 1.583 57.685 56.100 0.003 0.000 0.984 277 R CB -0.600 29.687 30.300 -0.022 0.000 0.869 277 R HN 0.597 nan 8.270 nan 0.000 0.455 278 G N 0.082 108.883 108.800 0.001 0.000 2.434 278 G HA2 -0.267 3.694 3.960 0.000 0.000 0.214 278 G HA3 -0.267 3.694 3.960 0.000 0.000 0.214 278 G C 1.467 176.371 174.900 0.007 0.000 1.202 278 G CA 0.498 45.599 45.100 0.001 0.000 0.788 278 G HN 0.276 nan 8.290 nan 0.000 0.539 279 R N -0.265 120.239 120.500 0.008 0.000 2.081 279 R HA 0.020 4.360 4.340 0.000 0.000 0.235 279 R C 2.589 178.898 176.300 0.015 0.000 1.131 279 R CA 1.332 57.438 56.100 0.009 0.000 0.960 279 R CB -0.413 29.891 30.300 0.008 0.000 0.856 279 R HN 0.374 nan 8.270 nan 0.000 0.436 280 L N 0.144 121.381 121.223 0.023 0.000 2.079 280 L HA -0.155 4.185 4.340 0.000 0.000 0.210 280 L C 1.871 178.760 176.870 0.033 0.000 1.081 280 L CA 1.995 56.855 54.840 0.034 0.000 0.752 280 L CB -0.408 41.688 42.059 0.061 0.000 0.896 280 L HN 0.081 nan 8.230 nan 0.000 0.433 281 T N -0.767 113.806 114.554 0.032 0.000 3.023 281 T HA -0.068 4.282 4.350 0.000 0.000 0.266 281 T C 1.630 176.338 174.700 0.014 0.000 1.093 281 T CA 1.149 63.265 62.100 0.027 0.000 1.129 281 T CB -0.081 68.802 68.868 0.025 0.000 0.899 281 T HN 0.484 nan 8.240 nan 0.000 0.491 282 E N 0.123 120.329 120.200 0.011 0.000 2.072 282 E HA -0.098 4.252 4.350 0.000 0.000 0.190 282 E C 2.440 179.043 176.600 0.005 0.000 0.982 282 E CA 0.861 57.265 56.400 0.006 0.000 0.803 282 E CB -0.222 29.481 29.700 0.005 0.000 0.755 282 E HN 0.442 nan 8.360 nan 0.000 0.453 283 C N 0.811 120.115 119.300 0.006 0.000 2.425 283 C HA -0.083 4.377 4.460 0.000 0.000 0.277 283 C C 2.506 177.495 174.990 -0.001 0.000 1.280 283 C CA 0.599 59.620 59.018 0.004 0.000 1.744 283 C CB -0.934 26.809 27.740 0.005 0.000 1.989 283 C HN 0.338 nan 8.230 nan 0.000 0.491 284 L N 0.460 121.683 121.223 -0.000 0.000 2.156 284 L HA -0.049 4.291 4.340 0.000 0.000 0.208 284 L C 2.867 179.730 176.870 -0.011 0.000 1.095 284 L CA 1.280 56.115 54.840 -0.009 0.000 0.770 284 L CB -0.763 41.293 42.059 -0.005 0.000 0.914 284 L HN 0.329 nan 8.230 nan 0.000 0.439 285 E N -0.253 119.944 120.200 -0.005 0.000 2.130 285 E HA -0.225 4.125 4.350 0.000 0.000 0.196 285 E C 2.136 178.730 176.600 -0.008 0.000 0.998 285 E CA 1.857 58.253 56.400 -0.006 0.000 0.806 285 E CB -0.119 29.581 29.700 -0.001 0.000 0.738 285 E HN 0.413 nan 8.360 nan 0.000 0.459 286 T N 0.971 115.521 114.554 -0.006 0.000 2.809 286 T HA 0.020 4.370 4.350 0.000 0.000 0.260 286 T C 2.056 176.751 174.700 -0.008 0.000 1.039 286 T CA 0.324 62.422 62.100 -0.004 0.000 1.141 286 T CB -0.059 68.810 68.868 0.001 0.000 0.869 286 T HN 0.093 nan 8.240 nan 0.000 0.437 287 I N 1.123 121.686 120.570 -0.012 0.000 2.194 287 I HA -0.210 3.960 4.170 0.000 0.000 0.246 287 I C 2.165 178.266 176.117 -0.027 0.000 1.093 287 I CA 1.413 62.702 61.300 -0.018 0.000 1.355 287 I CB -0.348 37.636 38.000 -0.026 0.000 1.046 287 I HN 0.252 nan 8.210 nan 0.000 0.413 288 L N 0.099 121.300 121.223 -0.036 0.000 2.141 288 L HA -0.188 4.153 4.340 0.000 0.000 0.209 288 L C 2.272 179.123 176.870 -0.033 0.000 1.094 288 L CA 0.912 55.722 54.840 -0.050 0.000 0.763 288 L CB -0.694 41.331 42.059 -0.057 0.000 0.908 288 L HN 0.314 nan 8.230 nan 0.000 0.437 289 N N 0.468 119.156 118.700 -0.018 0.000 2.043 289 N HA -0.173 4.567 4.740 0.000 0.000 0.193 289 N C 1.726 177.235 175.510 -0.001 0.000 1.037 289 N CA 1.248 54.293 53.050 -0.008 0.000 0.851 289 N CB -0.156 38.329 38.487 -0.003 0.000 1.027 289 N HN 0.250 nan 8.380 nan 0.000 0.422 290 K N 0.888 121.290 120.400 0.004 0.000 2.211 290 K HA 0.056 4.377 4.320 0.000 0.000 0.203 290 K C 1.935 178.549 176.600 0.024 0.000 1.050 290 K CA 0.702 56.999 56.287 0.017 0.000 0.945 290 K CB -0.183 32.330 32.500 0.022 0.000 0.732 290 K HN 0.144 nan 8.250 nan 0.000 0.451 291 A N 1.771 124.597 122.820 0.009 0.000 1.883 291 A HA -0.223 4.098 4.320 0.000 0.000 0.217 291 A C 2.092 179.694 177.584 0.029 0.000 1.186 291 A CA 1.434 53.483 52.037 0.019 0.000 0.624 291 A CB -0.468 18.523 19.000 -0.014 0.000 0.822 291 A HN 0.341 nan 8.150 nan 0.000 0.444 292 Q N -0.162 119.646 119.800 0.012 0.000 2.369 292 Q HA -0.025 4.315 4.340 0.000 0.000 0.206 292 Q C 0.052 176.068 176.000 0.027 0.000 0.963 292 Q CA 0.207 56.020 55.803 0.017 0.000 0.894 292 Q CB 0.069 28.810 28.738 0.005 0.000 0.965 292 Q HN 0.734 nan 8.270 nan 0.000 0.475 293 E N 1.867 122.083 120.200 0.027 0.000 2.408 293 E HA 0.055 4.405 4.350 0.000 0.000 0.259 293 E C -2.289 174.332 176.600 0.035 0.000 1.110 293 E CA -1.700 54.716 56.400 0.026 0.000 0.929 293 E CB 0.265 29.977 29.700 0.021 0.000 0.971 293 E HN 0.063 nan 8.360 nan 0.000 0.438 294 P HA 0.083 nan 4.420 nan 0.000 0.265 294 P C -2.447 174.860 177.300 0.012 0.000 1.222 294 P CA -1.006 62.106 63.100 0.020 0.000 0.767 294 P CB -0.380 31.321 31.700 0.003 0.000 0.801 295 P HA -0.008 nan 4.420 nan 0.000 0.261 295 P C 1.069 178.296 177.300 -0.120 0.000 1.165 295 P CA 0.375 63.496 63.100 0.036 0.000 0.759 295 P CB 0.407 32.141 31.700 0.057 0.000 0.772 296 K N 0.528 120.786 120.400 -0.236 0.000 2.362 296 K HA 0.007 4.328 4.320 0.000 0.000 0.200 296 K C 0.976 177.290 176.600 -0.476 0.000 1.046 296 K CA 0.800 56.845 56.287 -0.404 0.000 0.952 296 K CB 0.153 32.385 32.500 -0.447 0.000 0.753 296 K HN 0.510 nan 8.250 nan 0.000 0.466 297 S N -1.348 114.047 115.700 -0.508 0.000 2.727 297 S HA 0.341 4.812 4.470 0.000 0.000 0.278 297 S C -0.840 173.675 174.600 -0.142 0.000 1.186 297 S CA -0.816 57.237 58.200 -0.245 0.000 0.836 297 S CB 1.258 64.419 63.200 -0.066 0.000 1.186 297 S HN 0.011 nan 8.310 nan 0.000 0.499 298 K N 0.057 120.447 120.400 -0.018 0.000 2.521 298 K HA 0.288 4.608 4.320 0.000 0.000 0.213 298 K C -0.655 176.000 176.600 0.091 0.000 1.223 298 K CA -0.154 56.164 56.287 0.050 0.000 1.013 298 K CB 0.480 32.999 32.500 0.031 0.000 1.017 298 K HN 0.372 nan 8.250 nan 0.000 0.591 299 K N 1.464 121.920 120.400 0.094 0.000 2.489 299 K HA -0.044 4.276 4.320 0.000 0.000 0.278 299 K C 1.147 177.856 176.600 0.183 0.000 1.000 299 K CA -0.070 56.292 56.287 0.123 0.000 1.012 299 K CB 1.017 33.584 32.500 0.112 0.000 0.903 299 K HN -0.150 nan 8.250 nan 0.000 0.485 300 V N 2.862 122.863 119.914 0.144 0.000 2.546 300 V HA -0.341 3.779 4.120 0.000 0.000 0.254 300 V C 1.562 177.750 176.094 0.156 0.000 1.076 300 V CA 1.918 64.293 62.300 0.125 0.000 1.087 300 V CB -0.252 31.622 31.823 0.085 0.000 0.674 300 V HN 0.741 nan 8.190 nan 0.000 0.470 301 Q N -0.183 119.755 119.800 0.230 0.000 1.990 301 Q HA -0.171 4.169 4.340 0.000 0.000 0.200 301 Q C 2.081 178.253 176.000 0.286 0.000 0.980 301 Q CA 2.452 58.392 55.803 0.229 0.000 0.832 301 Q CB -0.658 28.139 28.738 0.098 0.000 0.897 301 Q HN 0.968 nan 8.270 nan 0.000 0.427 302 H N -0.314 118.933 119.070 0.295 0.000 2.265 302 H HA -0.162 4.395 4.556 0.000 0.000 0.295 302 H C 2.170 177.585 175.328 0.146 0.000 1.084 302 H CA 2.260 58.456 56.048 0.246 0.000 1.261 302 H CB -0.474 29.441 29.762 0.254 0.000 1.360 302 H HN 0.237 nan 8.280 nan 0.000 0.487 303 S N -0.381 115.405 115.700 0.144 0.000 2.380 303 S HA -0.260 4.210 4.470 0.000 0.000 0.229 303 S C 2.007 176.569 174.600 -0.065 0.000 1.043 303 S CA 1.944 60.150 58.200 0.011 0.000 1.038 303 S CB -0.396 62.845 63.200 0.068 0.000 0.872 303 S HN 0.607 nan 8.310 nan 0.000 0.456 304 N N 1.295 119.984 118.700 -0.019 0.000 2.250 304 N HA 0.193 4.933 4.740 0.000 0.000 0.181 304 N C 1.906 177.347 175.510 -0.114 0.000 1.017 304 N CA 1.246 54.267 53.050 -0.049 0.000 0.866 304 N CB -0.909 37.569 38.487 -0.016 0.000 0.985 304 N HN 0.534 nan 8.380 nan 0.000 0.429 305 A N 1.096 123.837 122.820 -0.131 0.000 1.873 305 A HA -0.116 4.205 4.320 0.000 0.000 0.215 305 A C 2.151 179.594 177.584 -0.235 0.000 1.186 305 A CA 1.299 53.172 52.037 -0.274 0.000 0.616 305 A CB -0.435 18.453 19.000 -0.185 0.000 0.823 305 A HN 0.203 nan 8.150 nan 0.000 0.442 306 K N -0.439 119.834 120.400 -0.212 0.000 2.032 306 K HA -0.184 4.136 4.320 0.000 0.000 0.209 306 K C 1.384 177.939 176.600 -0.074 0.000 1.048 306 K CA 1.705 57.888 56.287 -0.174 0.000 0.927 306 K CB -0.181 32.155 32.500 -0.274 0.000 0.712 306 K HN 0.401 nan 8.250 nan 0.000 0.441 307 N N 0.177 118.855 118.700 -0.035 0.000 2.512 307 N HA -0.056 4.685 4.740 0.000 0.000 0.183 307 N C 1.155 176.785 175.510 0.200 0.000 1.073 307 N CA 0.836 53.961 53.050 0.124 0.000 0.911 307 N CB 0.062 38.615 38.487 0.110 0.000 0.964 307 N HN 0.249 nan 8.380 nan 0.000 0.447 308 A N 0.026 122.853 122.820 0.012 0.000 1.898 308 A HA 0.030 4.350 4.320 0.000 0.000 0.214 308 A C 2.331 179.911 177.584 -0.006 0.000 1.183 308 A CA 0.678 52.703 52.037 -0.019 0.000 0.622 308 A CB -0.540 18.347 19.000 -0.188 0.000 0.824 308 A HN 0.081 nan 8.150 nan 0.000 0.444 309 V N -0.300 119.573 119.914 -0.069 0.000 2.427 309 V HA -0.189 3.932 4.120 0.000 0.000 0.248 309 V C 2.467 178.558 176.094 -0.006 0.000 1.051 309 V CA 1.894 64.161 62.300 -0.055 0.000 1.048 309 V CB -0.418 31.352 31.823 -0.088 0.000 0.666 309 V HN 0.559 nan 8.190 nan 0.000 0.456 310 L N -1.064 120.171 121.223 0.021 0.000 2.072 310 L HA -0.048 4.292 4.340 0.000 0.000 0.205 310 L C 2.077 178.927 176.870 -0.034 0.000 1.079 310 L CA 1.953 56.784 54.840 -0.015 0.000 0.752 310 L CB -0.656 41.401 42.059 -0.002 0.000 0.906 310 L HN 0.259 nan 8.230 nan 0.000 0.436 311 F N -0.161 119.802 119.950 0.023 0.000 2.171 311 F HA -0.208 4.319 4.527 0.000 0.000 0.300 311 F C 2.554 178.348 175.800 -0.010 0.000 1.090 311 F CA 1.598 59.611 58.000 0.023 0.000 1.293 311 F CB -0.075 38.957 39.000 0.053 0.000 1.013 311 F HN 0.176 nan 8.300 nan 0.000 0.486 312 E N 0.100 120.385 120.200 0.142 0.000 2.112 312 E HA -0.069 4.281 4.350 0.000 0.000 0.190 312 E C 2.135 178.738 176.600 0.004 0.000 0.979 312 E CA 1.038 57.473 56.400 0.059 0.000 0.814 312 E CB -0.257 29.456 29.700 0.022 0.000 0.762 312 E HN 0.229 nan 8.360 nan 0.000 0.460 313 A N 0.402 123.213 122.820 -0.015 0.000 2.015 313 A HA -0.081 4.239 4.320 0.000 0.000 0.219 313 A C 2.197 179.751 177.584 -0.049 0.000 1.163 313 A CA 0.883 52.895 52.037 -0.041 0.000 0.646 313 A CB -0.501 18.473 19.000 -0.043 0.000 0.806 313 A HN 0.340 nan 8.150 nan 0.000 0.448 314 I N -0.960 119.577 120.570 -0.055 0.000 2.439 314 I HA -0.151 4.019 4.170 0.000 0.000 0.251 314 I C 2.717 178.827 176.117 -0.012 0.000 1.139 314 I CA 1.373 62.634 61.300 -0.065 0.000 1.438 314 I CB -0.087 37.826 38.000 -0.145 0.000 1.085 314 I HN 0.418 nan 8.210 nan 0.000 0.427 315 S N 0.909 116.622 115.700 0.021 0.000 2.406 315 S HA -0.147 4.323 4.470 0.000 0.000 0.228 315 S C 1.946 176.557 174.600 0.019 0.000 1.020 315 S CA 0.940 59.166 58.200 0.043 0.000 0.965 315 S CB -0.165 63.070 63.200 0.059 0.000 0.798 315 S HN 0.365 nan 8.310 nan 0.000 0.488 316 L N 1.286 122.481 121.223 -0.047 0.000 2.156 316 L HA 0.194 4.535 4.340 0.000 0.000 0.208 316 L C 1.878 178.673 176.870 -0.125 0.000 1.095 316 L CA 1.494 56.247 54.840 -0.145 0.000 0.770 316 L CB -0.399 41.541 42.059 -0.199 0.000 0.914 316 L HN 0.369 nan 8.230 nan 0.000 0.439 317 I N -0.867 119.679 120.570 -0.041 0.000 2.286 317 I HA -0.264 3.906 4.170 0.000 0.000 0.245 317 I C 2.319 178.478 176.117 0.070 0.000 1.104 317 I CA 1.348 62.657 61.300 0.016 0.000 1.397 317 I CB -0.197 37.806 38.000 0.004 0.000 1.072 317 I HN 0.215 nan 8.210 nan 0.000 0.417 318 I N 0.173 120.780 120.570 0.062 0.000 2.394 318 I HA -0.322 3.848 4.170 0.000 0.000 0.251 318 I C 2.591 178.777 176.117 0.114 0.000 1.136 318 I CA 1.412 62.759 61.300 0.078 0.000 1.425 318 I CB -0.487 37.550 38.000 0.062 0.000 1.079 318 I HN 0.309 nan 8.210 nan 0.000 0.425 319 H N -0.029 119.058 119.070 0.029 0.000 2.363 319 H HA -0.149 4.407 4.556 0.000 0.000 0.301 319 H C 2.287 177.703 175.328 0.147 0.000 1.074 319 H CA 1.916 57.995 56.048 0.053 0.000 1.354 319 H CB -0.003 29.760 29.762 0.001 0.000 1.397 319 H HN 0.368 nan 8.280 nan 0.000 0.516 320 H N -0.958 118.238 119.070 0.210 0.000 2.333 320 H HA -0.079 4.477 4.556 0.000 0.000 0.302 320 H C 0.241 175.605 175.328 0.060 0.000 1.075 320 H CA 0.481 56.609 56.048 0.134 0.000 1.348 320 H CB 0.259 30.090 29.762 0.117 0.000 1.393 320 H HN 0.363 nan 8.280 nan 0.000 0.509 321 D N 0.337 120.860 120.400 0.204 0.000 3.187 321 D HA -0.134 4.507 4.640 0.000 0.000 0.244 321 D C -1.204 175.165 176.300 0.115 0.000 1.114 321 D CA 0.684 54.784 54.000 0.168 0.000 0.920 321 D CB -0.745 40.159 40.800 0.174 0.000 0.970 321 D HN 0.250 nan 8.370 nan 0.000 0.418 322 S N 0.902 116.629 115.700 0.044 0.000 2.615 322 S HA 0.584 5.054 4.470 0.000 0.000 0.269 322 S C -1.122 173.430 174.600 -0.080 0.000 1.161 322 S CA -0.897 57.235 58.200 -0.114 0.000 0.817 322 S CB 1.495 64.633 63.200 -0.103 0.000 1.131 322 S HN 0.250 nan 8.310 nan 0.000 0.467 323 E N 0.830 120.946 120.200 -0.141 0.000 2.280 323 E HA -0.156 4.195 4.350 0.000 0.000 0.315 323 E C -2.414 174.171 176.600 -0.025 0.000 1.847 323 E CA 0.320 56.675 56.400 -0.075 0.000 1.170 323 E CB -0.965 28.717 29.700 -0.031 0.000 0.678 323 E HN 0.263 nan 8.360 nan 0.000 0.344 324 P HA -0.245 nan 4.420 nan 0.000 0.216 324 P C 1.177 178.524 177.300 0.079 0.000 1.153 324 P CA 1.652 64.777 63.100 0.042 0.000 0.858 324 P CB 0.124 31.884 31.700 0.100 0.000 0.789 325 N N -0.227 118.517 118.700 0.074 0.000 2.049 325 N HA -0.199 4.541 4.740 0.000 0.000 0.198 325 N C 1.636 177.170 175.510 0.039 0.000 1.030 325 N CA 1.595 54.681 53.050 0.060 0.000 0.870 325 N CB -1.014 37.495 38.487 0.037 0.000 1.045 325 N HN 0.025 nan 8.380 nan 0.000 0.434 326 L N -0.216 121.023 121.223 0.026 0.000 2.201 326 L HA -0.093 4.248 4.340 0.000 0.000 0.212 326 L C 2.181 179.059 176.870 0.013 0.000 1.105 326 L CA 0.620 55.468 54.840 0.014 0.000 0.775 326 L CB -0.345 41.723 42.059 0.015 0.000 0.913 326 L HN 0.331 nan 8.230 nan 0.000 0.440 327 L N -1.283 119.959 121.223 0.032 0.000 2.156 327 L HA -0.151 4.189 4.340 0.000 0.000 0.208 327 L C 2.386 179.279 176.870 0.037 0.000 1.095 327 L CA 0.533 55.394 54.840 0.034 0.000 0.770 327 L CB -0.151 41.939 42.059 0.052 0.000 0.914 327 L HN 0.038 nan 8.230 nan 0.000 0.439 328 V N -0.552 119.397 119.914 0.059 0.000 2.407 328 V HA -0.162 3.958 4.120 0.000 0.000 0.245 328 V C 2.627 178.740 176.094 0.032 0.000 1.041 328 V CA 1.237 63.580 62.300 0.071 0.000 1.040 328 V CB -0.454 31.431 31.823 0.103 0.000 0.671 328 V HN 0.390 nan 8.190 nan 0.000 0.455 329 R N 0.684 121.189 120.500 0.009 0.000 2.094 329 R HA -0.169 4.171 4.340 0.000 0.000 0.239 329 R C 2.389 178.647 176.300 -0.070 0.000 1.137 329 R CA 1.751 57.836 56.100 -0.024 0.000 0.943 329 R CB -1.212 29.071 30.300 -0.029 0.000 0.850 329 R HN 0.516 nan 8.270 nan 0.000 0.433 330 A N 0.440 123.212 122.820 -0.079 0.000 1.978 330 A HA -0.186 4.134 4.320 0.000 0.000 0.220 330 A C 2.437 179.920 177.584 -0.169 0.000 1.170 330 A CA 1.583 53.534 52.037 -0.143 0.000 0.636 330 A CB -0.825 18.110 19.000 -0.110 0.000 0.810 330 A HN 0.507 nan 8.150 nan 0.000 0.448 331 C N -0.464 118.785 119.300 -0.086 0.000 2.562 331 C HA 0.127 4.587 4.460 0.000 0.000 0.266 331 C C 2.138 177.074 174.990 -0.091 0.000 1.382 331 C CA 0.760 59.732 59.018 -0.076 0.000 1.742 331 C CB -1.568 26.197 27.740 0.041 0.000 1.812 331 C HN 0.594 nan 8.230 nan 0.000 0.559 332 N N 0.327 118.989 118.700 -0.063 0.000 2.409 332 N HA -0.006 4.734 4.740 0.000 0.000 0.174 332 N C 1.737 177.150 175.510 -0.162 0.000 1.037 332 N CA 0.636 53.670 53.050 -0.027 0.000 0.898 332 N CB -0.324 38.181 38.487 0.031 0.000 1.010 332 N HN 0.555 nan 8.380 nan 0.000 0.445 333 Q N 0.818 120.461 119.800 -0.262 0.000 2.062 333 Q HA 0.163 4.503 4.340 0.000 0.000 0.196 333 Q C 1.897 177.481 176.000 -0.694 0.000 0.967 333 Q CA 0.967 56.509 55.803 -0.435 0.000 0.832 333 Q CB -0.258 28.187 28.738 -0.488 0.000 0.899 333 Q HN 0.262 nan 8.270 nan 0.000 0.442 334 L N -0.375 120.471 121.223 -0.629 0.000 2.187 334 L HA -0.141 4.200 4.340 0.000 0.000 0.213 334 L C 2.104 178.744 176.870 -0.383 0.000 1.100 334 L CA 1.188 55.693 54.840 -0.558 0.000 0.765 334 L CB -0.779 41.065 42.059 -0.358 0.000 0.904 334 L HN 0.461 nan 8.230 nan 0.000 0.437 335 G N -1.114 107.412 108.800 -0.457 0.000 2.402 335 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 335 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 335 G C 1.463 176.281 174.900 -0.136 0.000 1.162 335 G CA 0.145 44.952 45.100 -0.488 0.000 0.777 335 G HN 0.371 nan 8.290 nan 0.000 0.539 336 Q N -0.548 119.201 119.800 -0.085 0.000 2.167 336 Q HA 0.032 4.372 4.340 0.000 0.000 0.202 336 Q C 2.281 178.458 176.000 0.295 0.000 0.970 336 Q CA 0.679 56.546 55.803 0.106 0.000 0.855 336 Q CB -0.230 28.558 28.738 0.083 0.000 0.911 336 Q HN 0.644 nan 8.270 nan 0.000 0.438 337 F N 0.447 120.385 119.950 -0.019 0.000 2.146 337 F HA -0.201 4.326 4.527 0.000 0.000 0.298 337 F C 2.059 177.906 175.800 0.079 0.000 1.096 337 F CA 0.327 58.343 58.000 0.026 0.000 1.275 337 F CB -0.008 39.011 39.000 0.033 0.000 1.008 337 F HN 0.077 nan 8.300 nan 0.000 0.480 338 L N -0.293 121.070 121.223 0.234 0.000 2.131 338 L HA -0.232 4.108 4.340 0.000 0.000 0.210 338 L C 2.316 179.266 176.870 0.132 0.000 1.092 338 L CA 1.206 56.131 54.840 0.142 0.000 0.759 338 L CB -0.722 41.376 42.059 0.066 0.000 0.903 338 L HN 0.190 nan 8.230 nan 0.000 0.435 339 Q N -1.163 118.729 119.800 0.152 0.000 2.046 339 Q HA -0.060 4.280 4.340 0.000 0.000 0.200 339 Q C 0.641 176.715 176.000 0.123 0.000 0.975 339 Q CA 0.717 56.595 55.803 0.125 0.000 0.836 339 Q CB 0.011 28.828 28.738 0.131 0.000 0.896 339 Q HN 0.449 nan 8.270 nan 0.000 0.428 340 H N 2.019 121.139 119.070 0.084 0.000 3.091 340 H HA 0.009 4.565 4.556 0.000 0.000 0.289 340 H C -0.249 175.103 175.328 0.040 0.000 0.995 340 H CA -0.362 55.722 56.048 0.059 0.000 1.461 340 H CB 0.387 30.183 29.762 0.057 0.000 1.510 340 H HN 0.135 nan 8.280 nan 0.000 0.546 341 R N 3.307 123.836 120.500 0.048 0.000 2.485 341 R HA 0.032 4.372 4.340 0.000 0.000 0.304 341 R C 0.299 176.636 176.300 0.062 0.000 0.934 341 R CA 0.301 56.426 56.100 0.041 0.000 1.102 341 R CB 0.062 30.365 30.300 0.005 0.000 0.906 341 R HN 0.691 nan 8.270 nan 0.000 0.407 342 E N 0.474 120.707 120.200 0.054 0.000 1.975 342 E HA 0.151 4.502 4.350 0.000 0.000 0.240 342 E C -0.604 176.024 176.600 0.046 0.000 1.652 342 E CA -0.164 56.263 56.400 0.045 0.000 0.996 342 E CB 0.752 30.476 29.700 0.039 0.000 1.487 342 E HN 0.499 nan 8.360 nan 0.000 0.533 343 T N -0.420 114.158 114.554 0.040 0.000 3.100 343 T HA 0.093 4.443 4.350 0.000 0.000 0.255 343 T C 0.892 175.631 174.700 0.064 0.000 0.893 343 T CA -0.070 62.063 62.100 0.054 0.000 0.882 343 T CB 0.035 68.927 68.868 0.039 0.000 1.266 343 T HN 0.133 nan 8.240 nan 0.000 0.528 344 N N 1.736 120.452 118.700 0.027 0.000 2.173 344 N HA 0.189 4.930 4.740 0.000 0.000 0.184 344 N C 1.791 177.321 175.510 0.033 0.000 1.025 344 N CA 0.893 53.948 53.050 0.008 0.000 0.852 344 N CB -0.249 38.215 38.487 -0.038 0.000 0.998 344 N HN 0.305 nan 8.380 nan 0.000 0.427 345 L N 0.607 121.839 121.223 0.016 0.000 2.027 345 L HA -0.060 4.280 4.340 0.000 0.000 0.206 345 L C 2.345 179.319 176.870 0.173 0.000 1.074 345 L CA 0.972 55.847 54.840 0.058 0.000 0.745 345 L CB -0.405 41.584 42.059 -0.116 0.000 0.898 345 L HN 0.116 nan 8.230 nan 0.000 0.433 346 R N -0.822 119.757 120.500 0.132 0.000 2.119 346 R HA -0.266 4.074 4.340 0.000 0.000 0.246 346 R C 2.281 178.651 176.300 0.116 0.000 1.146 346 R CA 2.204 58.381 56.100 0.128 0.000 0.962 346 R CB -0.643 29.712 30.300 0.093 0.000 0.863 346 R HN 0.307 nan 8.270 nan 0.000 0.442 347 Y N 0.687 121.003 120.300 0.026 0.000 2.133 347 Y HA -0.223 4.327 4.550 0.000 0.000 0.287 347 Y C 1.911 177.812 175.900 0.001 0.000 1.134 347 Y CA 1.338 59.439 58.100 0.003 0.000 1.133 347 Y CB -0.116 38.328 38.460 -0.027 0.000 0.987 347 Y HN -0.079 nan 8.280 nan 0.000 0.502 348 L N 0.335 121.681 121.223 0.205 0.000 2.083 348 L HA -0.176 4.164 4.340 0.000 0.000 0.209 348 L C 2.655 179.643 176.870 0.197 0.000 1.083 348 L CA 1.901 56.729 54.840 -0.019 0.000 0.752 348 L CB -1.696 39.987 42.059 -0.627 0.000 0.899 348 L HN 0.388 nan 8.230 nan 0.000 0.433 349 A N -0.864 122.208 122.820 0.419 0.000 1.902 349 A HA -0.149 4.171 4.320 0.000 0.000 0.217 349 A C 2.292 179.972 177.584 0.159 0.000 1.181 349 A CA 1.449 53.749 52.037 0.439 0.000 0.623 349 A CB -0.727 18.503 19.000 0.383 0.000 0.818 349 A HN 0.387 nan 8.150 nan 0.000 0.443 350 L N -0.939 120.304 121.223 0.034 0.000 2.275 350 L HA -0.150 4.190 4.340 0.000 0.000 0.215 350 L C 2.542 179.355 176.870 -0.096 0.000 1.119 350 L CA 1.411 56.212 54.840 -0.065 0.000 0.790 350 L CB -0.343 41.625 42.059 -0.151 0.000 0.919 350 L HN 0.553 nan 8.230 nan 0.000 0.443 351 E N -0.515 119.618 120.200 -0.111 0.000 2.028 351 E HA -0.180 4.170 4.350 0.000 0.000 0.190 351 E C 2.338 178.958 176.600 0.032 0.000 0.984 351 E CA 1.092 57.446 56.400 -0.076 0.000 0.800 351 E CB 0.137 29.806 29.700 -0.052 0.000 0.758 351 E HN 0.215 nan 8.360 nan 0.000 0.448 352 S N 0.079 115.852 115.700 0.122 0.000 2.383 352 S HA -0.124 4.346 4.470 0.000 0.000 0.227 352 S C 1.895 176.533 174.600 0.065 0.000 1.026 352 S CA 1.096 59.385 58.200 0.148 0.000 0.981 352 S CB -0.124 63.258 63.200 0.303 0.000 0.818 352 S HN 0.283 nan 8.310 nan 0.000 0.472 353 M N 0.001 119.623 119.600 0.037 0.000 2.132 353 M HA -0.088 4.392 4.480 0.000 0.000 0.263 353 M C 2.354 178.663 176.300 0.015 0.000 1.065 353 M CA 1.363 56.664 55.300 0.002 0.000 1.122 353 M CB -0.397 32.189 32.600 -0.022 0.000 1.365 353 M HN 0.473 nan 8.290 nan 0.000 0.411 354 C N 0.231 119.539 119.300 0.013 0.000 2.419 354 C HA -0.111 4.349 4.460 0.000 0.000 0.283 354 C C 2.526 177.534 174.990 0.029 0.000 1.373 354 C CA 1.708 60.738 59.018 0.018 0.000 1.781 354 C CB -1.118 26.623 27.740 0.002 0.000 1.886 354 C HN 0.626 nan 8.230 nan 0.000 0.520 355 T N -0.156 114.417 114.554 0.032 0.000 2.976 355 T HA 0.013 4.363 4.350 0.000 0.000 0.257 355 T C 1.556 176.277 174.700 0.035 0.000 1.051 355 T CA 0.704 62.827 62.100 0.039 0.000 1.141 355 T CB -0.187 68.711 68.868 0.051 0.000 0.881 355 T HN 0.551 nan 8.240 nan 0.000 0.461 356 L N 1.065 122.305 121.223 0.030 0.000 2.275 356 L HA 0.075 4.415 4.340 0.000 0.000 0.215 356 L C 2.551 179.434 176.870 0.022 0.000 1.119 356 L CA 0.796 55.651 54.840 0.024 0.000 0.790 356 L CB -0.362 41.705 42.059 0.014 0.000 0.919 356 L HN 0.223 nan 8.230 nan 0.000 0.443 357 A N -0.763 122.071 122.820 0.024 0.000 2.032 357 A HA -0.190 4.131 4.320 0.000 0.000 0.221 357 A C 2.010 179.601 177.584 0.011 0.000 1.165 357 A CA 1.819 53.869 52.037 0.022 0.000 0.645 357 A CB -0.564 18.455 19.000 0.032 0.000 0.807 357 A HN 0.570 nan 8.150 nan 0.000 0.453 358 S N -0.559 115.148 115.700 0.013 0.000 2.583 358 S HA 0.324 4.794 4.470 0.000 0.000 0.239 358 S C 0.438 175.030 174.600 -0.013 0.000 0.966 358 S CA 0.177 58.378 58.200 0.002 0.000 0.973 358 S CB -0.217 62.991 63.200 0.012 0.000 0.794 358 S HN 0.459 nan 8.310 nan 0.000 0.463 359 S N 1.224 116.915 115.700 -0.015 0.000 2.554 359 S HA 0.336 4.807 4.470 0.000 0.000 0.278 359 S C 0.208 174.749 174.600 -0.098 0.000 1.242 359 S CA -0.556 57.632 58.200 -0.020 0.000 1.051 359 S CB 1.183 64.394 63.200 0.019 0.000 0.986 359 S HN 0.402 nan 8.310 nan 0.000 0.502 360 E N 2.810 122.887 120.200 -0.204 0.000 2.585 360 E HA 0.246 4.596 4.350 0.000 0.000 0.206 360 E C -0.957 175.097 176.600 -0.909 0.000 1.007 360 E CA 0.061 56.168 56.400 -0.488 0.000 1.028 360 E CB 0.234 29.605 29.700 -0.548 0.000 1.087 360 E HN 0.779 nan 8.360 nan 0.000 0.455 361 F N -1.167 118.707 119.950 -0.126 0.000 2.944 361 F HA 0.032 4.559 4.527 0.000 0.000 0.332 361 F C 1.773 177.374 175.800 -0.332 0.000 1.215 361 F CA -0.186 57.670 58.000 -0.239 0.000 1.079 361 F CB 0.590 39.492 39.000 -0.163 0.000 1.272 361 F HN -0.032 nan 8.300 nan 0.000 0.509 362 S N -1.105 114.537 115.700 -0.097 0.000 2.481 362 S HA -0.134 4.337 4.470 0.000 0.000 0.231 362 S C 0.850 175.440 174.600 -0.016 0.000 0.996 362 S CA 1.088 59.264 58.200 -0.041 0.000 0.942 362 S CB -0.492 62.715 63.200 0.013 0.000 0.768 362 S HN 0.537 nan 8.310 nan 0.000 0.520 363 H N 0.828 119.917 119.070 0.030 0.000 3.237 363 H HA -0.142 4.414 4.556 0.000 0.000 0.231 363 H C 0.009 175.331 175.328 -0.010 0.000 1.148 363 H CA 1.082 57.136 56.048 0.009 0.000 1.155 363 H CB -2.310 27.461 29.762 0.016 0.000 1.210 363 H HN 0.771 nan 8.280 nan 0.000 0.317 364 E N -2.275 117.957 120.200 0.053 0.000 2.553 364 E HA -0.229 4.121 4.350 0.000 0.000 0.264 364 E C 1.204 177.831 176.600 0.045 0.000 1.068 364 E CA 0.579 56.996 56.400 0.029 0.000 0.774 364 E CB -1.270 28.435 29.700 0.009 0.000 1.349 364 E HN 0.669 nan 8.360 nan 0.000 0.404 365 A N -0.004 122.860 122.820 0.074 0.000 2.194 365 A HA -0.139 4.181 4.320 0.000 0.000 0.220 365 A C 2.118 179.751 177.584 0.082 0.000 1.162 365 A CA 1.522 53.602 52.037 0.071 0.000 0.674 365 A CB -0.079 18.984 19.000 0.105 0.000 0.789 365 A HN 0.240 nan 8.150 nan 0.000 0.470 366 V N 0.122 120.090 119.914 0.091 0.000 2.343 366 V HA -0.260 3.860 4.120 0.000 0.000 0.247 366 V C 2.214 178.360 176.094 0.086 0.000 1.051 366 V CA 2.268 64.647 62.300 0.132 0.000 1.036 366 V CB -0.512 31.354 31.823 0.072 0.000 0.654 366 V HN 0.598 nan 8.190 nan 0.000 0.451 367 K N -0.378 120.027 120.400 0.009 0.000 2.585 367 K HA -0.094 4.226 4.320 0.000 0.000 0.194 367 K C 1.818 178.368 176.600 -0.084 0.000 1.037 367 K CA 1.220 57.488 56.287 -0.031 0.000 0.964 367 K CB -0.259 32.213 32.500 -0.047 0.000 0.787 367 K HN 0.442 nan 8.250 nan 0.000 0.488 368 T N 0.112 114.563 114.554 -0.172 0.000 3.067 368 T HA -0.020 4.330 4.350 0.000 0.000 0.261 368 T C 0.851 175.285 174.700 -0.442 0.000 1.110 368 T CA 0.689 62.579 62.100 -0.350 0.000 1.113 368 T CB 0.010 68.565 68.868 -0.520 0.000 0.917 368 T HN 0.328 nan 8.240 nan 0.000 0.499 369 H N 0.188 119.250 119.070 -0.012 0.000 2.505 369 H HA 0.350 4.907 4.556 0.000 0.000 0.286 369 H C 1.668 176.992 175.328 -0.007 0.000 1.072 369 H CA -0.204 55.840 56.048 -0.007 0.000 1.141 369 H CB 0.067 29.826 29.762 -0.005 0.000 1.550 369 H HN 0.366 nan 8.280 nan 0.000 0.547 370 I N 0.599 121.193 120.570 0.041 0.000 2.236 370 I HA -0.294 3.876 4.170 0.000 0.000 0.249 370 I C 2.209 178.343 176.117 0.029 0.000 1.102 370 I CA 1.278 62.593 61.300 0.025 0.000 1.365 370 I CB -0.053 37.942 38.000 -0.009 0.000 1.051 370 I HN 0.164 nan 8.210 nan 0.000 0.420 371 E N 0.775 120.991 120.200 0.026 0.000 2.015 371 E HA -0.150 4.200 4.350 0.000 0.000 0.191 371 E C 2.283 178.908 176.600 0.042 0.000 0.991 371 E CA 1.831 58.246 56.400 0.026 0.000 0.802 371 E CB -0.729 28.982 29.700 0.018 0.000 0.759 371 E HN 0.428 nan 8.360 nan 0.000 0.447 372 T N 1.688 116.284 114.554 0.069 0.000 2.737 372 T HA -0.146 4.204 4.350 0.000 0.000 0.269 372 T C 2.026 176.757 174.700 0.051 0.000 1.040 372 T CA 1.797 63.939 62.100 0.071 0.000 1.142 372 T CB -0.276 68.656 68.868 0.106 0.000 0.861 372 T HN 0.192 nan 8.240 nan 0.000 0.456 373 V N -0.342 119.602 119.914 0.050 0.000 2.878 373 V HA 0.206 4.326 4.120 0.000 0.000 0.250 373 V C 2.031 178.129 176.094 0.008 0.000 1.075 373 V CA 0.705 63.020 62.300 0.024 0.000 1.096 373 V CB -0.588 31.249 31.823 0.023 0.000 0.724 373 V HN 0.491 nan 8.190 nan 0.000 0.467 374 I N 1.591 122.170 120.570 0.015 0.000 2.394 374 I HA -0.172 3.998 4.170 0.000 0.000 0.251 374 I C 2.674 178.794 176.117 0.005 0.000 1.136 374 I CA 1.821 63.126 61.300 0.008 0.000 1.425 374 I CB -0.403 37.606 38.000 0.016 0.000 1.079 374 I HN 0.556 nan 8.210 nan 0.000 0.425 375 N N 1.860 120.567 118.700 0.013 0.000 2.062 375 N HA -0.197 4.543 4.740 0.000 0.000 0.191 375 N C 1.973 177.486 175.510 0.005 0.000 1.042 375 N CA 1.952 55.009 53.050 0.013 0.000 0.845 375 N CB -0.151 38.348 38.487 0.021 0.000 1.024 375 N HN 0.272 nan 8.380 nan 0.000 0.424 376 A N 1.785 124.608 122.820 0.006 0.000 1.909 376 A HA -0.223 4.097 4.320 0.000 0.000 0.221 376 A C 2.380 179.947 177.584 -0.028 0.000 1.223 376 A CA 2.070 54.105 52.037 -0.002 0.000 0.658 376 A CB -1.246 17.753 19.000 -0.001 0.000 0.831 376 A HN 0.496 nan 8.150 nan 0.000 0.462 377 L N -0.787 120.402 121.223 -0.057 0.000 2.083 377 L HA -0.126 4.214 4.340 0.000 0.000 0.209 377 L C 2.193 179.022 176.870 -0.069 0.000 1.083 377 L CA 2.754 57.524 54.840 -0.116 0.000 0.752 377 L CB -0.443 41.528 42.059 -0.147 0.000 0.899 377 L HN 0.416 nan 8.230 nan 0.000 0.433 378 K N -1.162 119.225 120.400 -0.021 0.000 2.031 378 K HA -0.119 4.201 4.320 0.000 0.000 0.205 378 K C 2.089 178.700 176.600 0.019 0.000 1.049 378 K CA 1.707 58.000 56.287 0.010 0.000 0.939 378 K CB -0.196 32.315 32.500 0.017 0.000 0.717 378 K HN 0.665 nan 8.250 nan 0.000 0.438 379 T N -0.835 113.728 114.554 0.014 0.000 2.739 379 T HA -0.019 4.332 4.350 0.000 0.000 0.249 379 T C 0.539 175.253 174.700 0.022 0.000 1.050 379 T CA 0.098 62.210 62.100 0.020 0.000 1.165 379 T CB -0.347 68.532 68.868 0.019 0.000 0.872 379 T HN -0.029 nan 8.240 nan 0.000 0.411 380 E N 3.013 123.223 120.200 0.017 0.000 3.025 380 E HA -0.027 4.323 4.350 0.000 0.000 0.248 380 E C 0.303 176.921 176.600 0.031 0.000 0.938 380 E CA 0.458 56.872 56.400 0.022 0.000 0.958 380 E CB 0.296 30.006 29.700 0.016 0.000 0.898 380 E HN 0.592 nan 8.360 nan 0.000 0.537 381 R N 2.206 122.729 120.500 0.039 0.000 2.580 381 R HA 0.309 4.649 4.340 0.000 0.000 0.267 381 R C -0.058 176.273 176.300 0.051 0.000 1.125 381 R CA -0.629 55.501 56.100 0.049 0.000 1.188 381 R CB 0.392 30.717 30.300 0.042 0.000 1.155 381 R HN 0.423 nan 8.270 nan 0.000 0.586 382 D N -0.867 119.568 120.400 0.058 0.000 3.625 382 D HA -0.107 4.533 4.640 0.000 0.000 0.217 382 D C 0.101 176.451 176.300 0.083 0.000 1.064 382 D CA 0.104 54.141 54.000 0.061 0.000 0.989 382 D CB -0.645 40.190 40.800 0.057 0.000 0.789 382 D HN 0.278 nan 8.370 nan 0.000 0.376 383 V N 2.436 122.405 119.914 0.092 0.000 2.636 383 V HA -0.296 3.825 4.120 0.000 0.000 0.258 383 V C 2.567 178.737 176.094 0.127 0.000 1.092 383 V CA 2.420 64.797 62.300 0.129 0.000 1.110 383 V CB -0.886 31.012 31.823 0.125 0.000 0.685 383 V HN 0.759 nan 8.190 nan 0.000 0.481 384 S N -0.255 115.521 115.700 0.126 0.000 2.343 384 S HA -0.176 4.295 4.470 0.000 0.000 0.219 384 S C 1.944 176.681 174.600 0.229 0.000 1.033 384 S CA 1.655 59.975 58.200 0.200 0.000 1.014 384 S CB -0.689 62.628 63.200 0.195 0.000 0.915 384 S HN 0.307 nan 8.310 nan 0.000 0.435 385 V N 2.427 122.470 119.914 0.214 0.000 2.407 385 V HA -0.146 3.974 4.120 0.000 0.000 0.248 385 V C 2.974 179.049 176.094 -0.033 0.000 1.055 385 V CA 2.170 64.530 62.300 0.100 0.000 1.049 385 V CB -0.897 30.991 31.823 0.108 0.000 0.662 385 V HN 0.429 nan 8.190 nan 0.000 0.455 386 R N -0.640 119.837 120.500 -0.037 0.000 2.105 386 R HA -0.218 4.122 4.340 0.000 0.000 0.239 386 R C 2.413 178.533 176.300 -0.301 0.000 1.135 386 R CA 1.799 57.778 56.100 -0.202 0.000 0.967 386 R CB -0.259 29.941 30.300 -0.167 0.000 0.861 386 R HN 0.603 nan 8.270 nan 0.000 0.442 387 Q N -0.489 119.252 119.800 -0.098 0.000 2.020 387 Q HA -0.033 4.308 4.340 0.000 0.000 0.198 387 Q C 1.962 177.911 176.000 -0.085 0.000 0.974 387 Q CA 0.806 56.580 55.803 -0.048 0.000 0.829 387 Q CB 0.147 28.921 28.738 0.059 0.000 0.894 387 Q HN 0.106 nan 8.270 nan 0.000 0.433 388 R N 0.174 120.605 120.500 -0.114 0.000 2.211 388 R HA -0.124 4.216 4.340 0.000 0.000 0.240 388 R C 1.773 177.988 176.300 -0.142 0.000 1.144 388 R CA 1.198 57.189 56.100 -0.182 0.000 0.992 388 R CB -0.640 29.401 30.300 -0.431 0.000 0.869 388 R HN 0.283 nan 8.270 nan 0.000 0.462 389 A N 0.011 122.749 122.820 -0.137 0.000 1.878 389 A HA -0.009 4.312 4.320 0.000 0.000 0.213 389 A C 2.408 179.945 177.584 -0.078 0.000 1.192 389 A CA 0.689 52.662 52.037 -0.106 0.000 0.619 389 A CB -0.504 18.421 19.000 -0.124 0.000 0.837 389 A HN 0.077 nan 8.150 nan 0.000 0.446 390 V N 0.991 120.836 119.914 -0.114 0.000 2.392 390 V HA -0.258 3.862 4.120 0.000 0.000 0.249 390 V C 2.076 178.189 176.094 0.031 0.000 1.059 390 V CA 2.539 64.811 62.300 -0.046 0.000 1.051 390 V CB -0.747 31.042 31.823 -0.057 0.000 0.658 390 V HN 0.526 nan 8.190 nan 0.000 0.455 391 D N -0.450 119.954 120.400 0.006 0.000 2.117 391 D HA -0.153 4.487 4.640 0.000 0.000 0.197 391 D C 1.876 178.225 176.300 0.082 0.000 0.987 391 D CA 1.145 55.164 54.000 0.033 0.000 0.829 391 D CB -0.328 40.468 40.800 -0.007 0.000 0.961 391 D HN 0.397 nan 8.370 nan 0.000 0.460 392 L N 0.363 121.609 121.223 0.038 0.000 2.083 392 L HA -0.079 4.261 4.340 0.000 0.000 0.209 392 L C 2.021 178.931 176.870 0.067 0.000 1.083 392 L CA 1.306 56.173 54.840 0.044 0.000 0.752 392 L CB -0.332 41.732 42.059 0.009 0.000 0.899 392 L HN 0.008 nan 8.230 nan 0.000 0.433 393 L N -1.903 119.363 121.223 0.071 0.000 2.141 393 L HA -0.214 4.126 4.340 0.000 0.000 0.209 393 L C 2.424 179.364 176.870 0.117 0.000 1.094 393 L CA 1.277 56.162 54.840 0.075 0.000 0.763 393 L CB -0.656 41.442 42.059 0.066 0.000 0.908 393 L HN 0.352 nan 8.230 nan 0.000 0.437 394 Y N 0.665 120.990 120.300 0.041 0.000 2.242 394 Y HA -0.169 4.381 4.550 0.000 0.000 0.291 394 Y C 2.228 178.169 175.900 0.068 0.000 1.137 394 Y CA 1.279 59.420 58.100 0.068 0.000 1.181 394 Y CB 0.022 38.521 38.460 0.065 0.000 0.989 394 Y HN 0.084 nan 8.280 nan 0.000 0.527 395 A N 0.210 123.150 122.820 0.200 0.000 2.302 395 A HA 0.177 4.498 4.320 0.000 0.000 0.219 395 A C 1.269 178.875 177.584 0.036 0.000 1.243 395 A CA 0.520 52.627 52.037 0.117 0.000 0.856 395 A CB -0.983 18.104 19.000 0.145 0.000 0.893 395 A HN 0.648 nan 8.150 nan 0.000 0.491 396 M N -2.956 116.646 119.600 0.004 0.000 2.821 396 M HA 0.375 4.855 4.480 0.000 0.000 0.432 396 M C -0.453 175.788 176.300 -0.098 0.000 1.291 396 M CA -0.496 54.784 55.300 -0.033 0.000 0.838 396 M CB -0.333 32.263 32.600 -0.008 0.000 1.505 396 M HN 0.014 nan 8.290 nan 0.000 0.523 397 C N 3.482 122.698 119.300 -0.139 0.000 2.632 397 C HA 0.555 5.015 4.460 0.000 0.000 0.415 397 C C -0.031 174.592 174.990 -0.611 0.000 1.332 397 C CA 0.319 59.165 59.018 -0.286 0.000 1.874 397 C CB -0.090 27.541 27.740 -0.183 0.000 2.596 397 C HN 0.827 nan 8.230 nan 0.000 0.590 398 D N 3.124 123.093 120.400 -0.718 0.000 2.714 398 D HA 0.324 4.964 4.640 0.000 0.000 0.278 398 D C 0.558 176.369 176.300 -0.814 0.000 1.102 398 D CA -0.880 52.593 54.000 -0.877 0.000 1.108 398 D CB 0.452 41.041 40.800 -0.351 0.000 1.444 398 D HN 0.494 nan 8.370 nan 0.000 0.568 399 R N -0.362 119.901 120.500 -0.394 0.000 2.241 399 R HA -0.004 4.337 4.340 0.000 0.000 0.224 399 R C 1.522 177.733 176.300 -0.149 0.000 1.101 399 R CA 1.410 57.446 56.100 -0.108 0.000 0.995 399 R CB -0.394 29.939 30.300 0.054 0.000 0.870 399 R HN 0.454 nan 8.270 nan 0.000 0.463 400 S N 1.256 116.851 115.700 -0.176 0.000 2.404 400 S HA -0.058 4.412 4.470 0.000 0.000 0.223 400 S C 1.437 175.949 174.600 -0.146 0.000 1.040 400 S CA 0.812 58.926 58.200 -0.142 0.000 0.957 400 S CB -0.231 62.899 63.200 -0.116 0.000 0.826 400 S HN 0.562 nan 8.310 nan 0.000 0.491 401 N N 1.619 120.229 118.700 -0.151 0.000 2.280 401 N HA 0.287 5.027 4.740 0.000 0.000 0.192 401 N C 1.628 177.078 175.510 -0.100 0.000 1.109 401 N CA 0.547 53.528 53.050 -0.115 0.000 0.855 401 N CB 0.043 38.474 38.487 -0.093 0.000 0.974 401 N HN 0.350 nan 8.380 nan 0.000 0.482 402 A N 2.176 124.916 122.820 -0.133 0.000 1.873 402 A HA -0.259 4.062 4.320 0.000 0.000 0.218 402 A C 2.294 179.900 177.584 0.036 0.000 1.193 402 A CA 1.517 53.539 52.037 -0.025 0.000 0.629 402 A CB -0.786 18.232 19.000 0.030 0.000 0.826 402 A HN 0.342 nan 8.150 nan 0.000 0.447 403 Q N -1.113 118.562 119.800 -0.210 0.000 2.096 403 Q HA -0.230 4.110 4.340 0.000 0.000 0.204 403 Q C 2.453 178.467 176.000 0.023 0.000 0.982 403 Q CA 1.587 57.264 55.803 -0.209 0.000 0.850 403 Q CB -0.200 28.206 28.738 -0.553 0.000 0.901 403 Q HN 0.694 nan 8.270 nan 0.000 0.422 404 Q N 0.292 120.075 119.800 -0.028 0.000 2.014 404 Q HA -0.220 4.121 4.340 0.000 0.000 0.207 404 Q C 2.145 178.178 176.000 0.054 0.000 0.993 404 Q CA 1.564 57.370 55.803 0.006 0.000 0.850 404 Q CB -0.197 28.527 28.738 -0.024 0.000 0.916 404 Q HN 0.464 nan 8.270 nan 0.000 0.417 405 I N -0.046 120.562 120.570 0.063 0.000 2.202 405 I HA -0.241 3.929 4.170 0.000 0.000 0.242 405 I C 2.352 178.551 176.117 0.137 0.000 1.091 405 I CA 0.707 62.059 61.300 0.087 0.000 1.368 405 I CB -0.348 37.698 38.000 0.076 0.000 1.058 405 I HN 0.013 nan 8.210 nan 0.000 0.410 406 V N 1.380 121.416 119.914 0.203 0.000 2.453 406 V HA -0.345 3.775 4.120 0.000 0.000 0.252 406 V C 2.679 178.883 176.094 0.183 0.000 1.068 406 V CA 1.957 64.396 62.300 0.232 0.000 1.070 406 V CB -1.421 30.631 31.823 0.383 0.000 0.664 406 V HN 0.504 nan 8.190 nan 0.000 0.461 407 A N 0.026 122.955 122.820 0.182 0.000 1.835 407 A HA -0.234 4.087 4.320 0.000 0.000 0.215 407 A C 2.201 179.849 177.584 0.106 0.000 1.199 407 A CA 1.896 54.015 52.037 0.137 0.000 0.615 407 A CB -0.665 18.407 19.000 0.120 0.000 0.838 407 A HN 0.470 nan 8.150 nan 0.000 0.444 408 E N -0.441 119.817 120.200 0.096 0.000 2.130 408 E HA -0.186 4.165 4.350 0.000 0.000 0.196 408 E C 2.003 178.670 176.600 0.112 0.000 0.998 408 E CA 1.621 58.072 56.400 0.086 0.000 0.806 408 E CB -0.326 29.413 29.700 0.065 0.000 0.738 408 E HN 0.642 nan 8.360 nan 0.000 0.459 409 M N -0.802 118.873 119.600 0.124 0.000 2.254 409 M HA -0.063 4.418 4.480 0.000 0.000 0.265 409 M C 1.891 178.266 176.300 0.125 0.000 1.066 409 M CA 0.784 56.176 55.300 0.153 0.000 1.123 409 M CB -0.002 32.688 32.600 0.150 0.000 1.388 409 M HN 0.137 nan 8.290 nan 0.000 0.425 410 L N -0.293 120.985 121.223 0.092 0.000 2.291 410 L HA -0.139 4.201 4.340 0.000 0.000 0.214 410 L C 2.546 179.444 176.870 0.046 0.000 1.120 410 L CA 1.185 56.056 54.840 0.052 0.000 0.799 410 L CB -0.366 41.718 42.059 0.043 0.000 0.925 410 L HN 0.398 nan 8.230 nan 0.000 0.446 411 S N -1.765 113.981 115.700 0.077 0.000 2.439 411 S HA -0.178 4.293 4.470 0.000 0.000 0.224 411 S C 1.901 176.564 174.600 0.104 0.000 1.029 411 S CA 0.075 58.319 58.200 0.073 0.000 0.946 411 S CB -0.564 62.680 63.200 0.074 0.000 0.797 411 S HN 0.419 nan 8.310 nan 0.000 0.504 412 Y N 2.499 122.803 120.300 0.007 0.000 2.421 412 Y HA 0.175 4.726 4.550 0.000 0.000 0.292 412 Y C 1.852 177.741 175.900 -0.018 0.000 1.136 412 Y CA 0.620 58.721 58.100 0.001 0.000 1.255 412 Y CB -0.387 38.078 38.460 0.008 0.000 0.991 412 Y HN 0.363 nan 8.280 nan 0.000 0.552 413 L N 0.040 121.195 121.223 -0.114 0.000 2.131 413 L HA -0.061 4.279 4.340 0.000 0.000 0.206 413 L C 2.103 178.856 176.870 -0.196 0.000 1.087 413 L CA 1.676 56.384 54.840 -0.221 0.000 0.767 413 L CB -0.616 41.367 42.059 -0.127 0.000 0.917 413 L HN 0.099 nan 8.230 nan 0.000 0.441 414 E N -0.507 119.630 120.200 -0.104 0.000 2.187 414 E HA -0.241 4.110 4.350 0.000 0.000 0.199 414 E C 0.892 177.443 176.600 -0.083 0.000 1.004 414 E CA 1.693 58.046 56.400 -0.078 0.000 0.813 414 E CB -0.081 29.602 29.700 -0.027 0.000 0.736 414 E HN 0.677 nan 8.360 nan 0.000 0.468 415 T N -2.745 111.751 114.554 -0.096 0.000 3.415 415 T HA 0.615 4.965 4.350 0.000 0.000 0.282 415 T C -0.339 174.294 174.700 -0.111 0.000 1.007 415 T CA -0.286 61.779 62.100 -0.059 0.000 0.958 415 T CB 0.739 69.606 68.868 -0.002 0.000 1.171 415 T HN 0.114 nan 8.240 nan 0.000 0.500 416 A N 1.004 123.698 122.820 -0.209 0.000 2.320 416 A HA 0.739 5.059 4.320 0.000 0.000 0.334 416 A C -0.265 177.268 177.584 -0.085 0.000 1.147 416 A CA -0.850 51.023 52.037 -0.274 0.000 0.820 416 A CB 0.610 19.257 19.000 -0.587 0.000 1.218 416 A HN 0.591 nan 8.150 nan 0.000 0.482 417 D N -0.219 120.158 120.400 -0.037 0.000 2.341 417 D HA 0.020 4.660 4.640 0.000 0.000 0.233 417 D C 0.135 176.544 176.300 0.180 0.000 1.270 417 D CA 0.523 54.570 54.000 0.078 0.000 0.883 417 D CB 0.085 40.895 40.800 0.017 0.000 1.207 417 D HN 0.466 nan 8.370 nan 0.000 0.471 418 Y N -0.545 119.669 120.300 -0.144 0.000 2.448 418 Y HA -0.025 4.525 4.550 0.000 0.000 0.289 418 Y C 2.497 178.291 175.900 -0.177 0.000 1.114 418 Y CA 0.505 58.490 58.100 -0.192 0.000 1.235 418 Y CB -0.912 37.523 38.460 -0.041 0.000 1.045 418 Y HN 0.325 nan 8.280 nan 0.000 0.554 419 S N -0.537 115.202 115.700 0.064 0.000 2.469 419 S HA -0.119 4.351 4.470 0.000 0.000 0.238 419 S C 1.655 176.231 174.600 -0.041 0.000 0.998 419 S CA 1.124 59.338 58.200 0.023 0.000 0.957 419 S CB -0.360 62.857 63.200 0.027 0.000 0.764 419 S HN 0.211 nan 8.310 nan 0.000 0.514 420 I N 1.339 121.847 120.570 -0.104 0.000 3.081 420 I HA 0.160 4.330 4.170 0.000 0.000 0.274 420 I C 2.391 178.365 176.117 -0.239 0.000 1.178 420 I CA 0.132 61.348 61.300 -0.140 0.000 1.460 420 I CB -1.048 36.863 38.000 -0.149 0.000 1.137 420 I HN 0.156 nan 8.210 nan 0.000 0.443 421 R N 1.097 121.335 120.500 -0.436 0.000 2.154 421 R HA -0.264 4.076 4.340 0.000 0.000 0.236 421 R C 2.078 178.173 176.300 -0.342 0.000 1.121 421 R CA 2.081 57.802 56.100 -0.631 0.000 0.915 421 R CB -1.008 28.337 30.300 -1.591 0.000 0.856 421 R HN 0.477 nan 8.270 nan 0.000 0.431 422 E N 0.912 120.992 120.200 -0.199 0.000 2.153 422 E HA -0.203 4.148 4.350 0.000 0.000 0.194 422 E C 1.759 178.359 176.600 0.001 0.000 0.988 422 E CA 1.573 58.006 56.400 0.055 0.000 0.811 422 E CB 0.047 29.872 29.700 0.207 0.000 0.746 422 E HN 0.587 nan 8.360 nan 0.000 0.466 423 E N -0.008 120.171 120.200 -0.035 0.000 2.358 423 E HA -0.093 4.257 4.350 0.000 0.000 0.195 423 E C 1.883 178.457 176.600 -0.043 0.000 1.010 423 E CA 0.646 57.025 56.400 -0.035 0.000 0.856 423 E CB -0.067 29.611 29.700 -0.038 0.000 0.795 423 E HN 0.361 nan 8.360 nan 0.000 0.504 424 I N 0.521 121.059 120.570 -0.053 0.000 2.400 424 I HA -0.149 4.021 4.170 0.000 0.000 0.248 424 I C 2.213 178.328 176.117 -0.004 0.000 1.109 424 I CA 0.285 61.570 61.300 -0.024 0.000 1.425 424 I CB -0.059 37.910 38.000 -0.053 0.000 1.094 424 I HN 0.073 nan 8.210 nan 0.000 0.425 425 V N 1.355 121.255 119.914 -0.023 0.000 2.278 425 V HA -0.325 3.796 4.120 0.000 0.000 0.251 425 V C 2.463 178.575 176.094 0.029 0.000 1.062 425 V CA 1.873 64.175 62.300 0.003 0.000 1.038 425 V CB -0.443 31.394 31.823 0.023 0.000 0.646 425 V HN 0.284 nan 8.190 nan 0.000 0.447 426 L N -0.513 120.730 121.223 0.032 0.000 2.027 426 L HA -0.137 4.203 4.340 0.000 0.000 0.206 426 L C 2.310 179.241 176.870 0.103 0.000 1.074 426 L CA 1.770 56.641 54.840 0.051 0.000 0.745 426 L CB -1.168 40.910 42.059 0.032 0.000 0.898 426 L HN 0.279 nan 8.230 nan 0.000 0.433 427 K N -0.901 119.557 120.400 0.097 0.000 2.152 427 K HA -0.117 4.204 4.320 0.000 0.000 0.206 427 K C 2.037 178.819 176.600 0.303 0.000 1.048 427 K CA 1.024 57.460 56.287 0.247 0.000 0.933 427 K CB -0.159 32.372 32.500 0.051 0.000 0.721 427 K HN 0.150 nan 8.250 nan 0.000 0.447 428 V N 0.891 120.903 119.914 0.163 0.000 2.346 428 V HA -0.168 3.952 4.120 0.000 0.000 0.244 428 V C 2.281 178.423 176.094 0.080 0.000 1.037 428 V CA 1.722 64.094 62.300 0.121 0.000 1.029 428 V CB -0.433 31.427 31.823 0.061 0.000 0.663 428 V HN 0.315 nan 8.190 nan 0.000 0.454 429 A N 0.368 123.223 122.820 0.059 0.000 1.884 429 A HA -0.271 4.049 4.320 0.000 0.000 0.219 429 A C 2.103 179.747 177.584 0.100 0.000 1.197 429 A CA 2.443 54.513 52.037 0.055 0.000 0.637 429 A CB -0.714 18.319 19.000 0.056 0.000 0.827 429 A HN 0.408 nan 8.150 nan 0.000 0.450 430 I N 0.035 120.677 120.570 0.120 0.000 2.091 430 I HA -0.283 3.888 4.170 0.000 0.000 0.239 430 I C 2.470 178.621 176.117 0.057 0.000 1.061 430 I CA 1.444 62.802 61.300 0.096 0.000 1.317 430 I CB -0.561 37.538 38.000 0.165 0.000 1.031 430 I HN 0.322 nan 8.210 nan 0.000 0.401 431 L N -0.472 120.821 121.223 0.117 0.000 2.131 431 L HA -0.218 4.122 4.340 0.000 0.000 0.210 431 L C 2.551 179.582 176.870 0.269 0.000 1.092 431 L CA 1.294 56.249 54.840 0.192 0.000 0.759 431 L CB -0.898 41.300 42.059 0.233 0.000 0.903 431 L HN 0.296 nan 8.230 nan 0.000 0.435 432 A N 0.928 123.847 122.820 0.164 0.000 1.843 432 A HA -0.207 4.114 4.320 0.000 0.000 0.213 432 A C 2.164 179.843 177.584 0.159 0.000 1.202 432 A CA 1.266 53.354 52.037 0.085 0.000 0.607 432 A CB -0.527 18.296 19.000 -0.295 0.000 0.847 432 A HN 0.499 nan 8.150 nan 0.000 0.445 433 E N -0.023 120.267 120.200 0.150 0.000 2.463 433 E HA -0.185 4.165 4.350 0.000 0.000 0.201 433 E C 1.668 178.187 176.600 -0.135 0.000 1.045 433 E CA 1.544 57.868 56.400 -0.126 0.000 0.872 433 E CB -0.099 29.567 29.700 -0.057 0.000 0.797 433 E HN 0.666 nan 8.360 nan 0.000 0.538 434 K N -0.758 119.579 120.400 -0.105 0.000 2.329 434 K HA 0.018 4.339 4.320 0.000 0.000 0.198 434 K C 0.628 177.049 176.600 -0.299 0.000 1.085 434 K CA 0.233 56.349 56.287 -0.285 0.000 0.961 434 K CB 0.192 32.381 32.500 -0.520 0.000 0.971 434 K HN 0.224 nan 8.250 nan 0.000 0.502 435 Y N 0.661 121.031 120.300 0.118 0.000 2.531 435 Y HA 0.421 4.971 4.550 0.000 0.000 0.249 435 Y C 0.172 176.165 175.900 0.155 0.000 1.168 435 Y CA -0.861 57.306 58.100 0.111 0.000 1.226 435 Y CB 1.183 39.695 38.460 0.086 0.000 1.177 435 Y HN 0.046 nan 8.280 nan 0.000 0.527 436 A N 0.710 123.739 122.820 0.347 0.000 2.477 436 A HA 0.345 4.665 4.320 0.000 0.000 0.246 436 A C 1.149 178.864 177.584 0.218 0.000 1.078 436 A CA 0.116 52.374 52.037 0.368 0.000 0.770 436 A CB 0.320 19.405 19.000 0.143 0.000 1.011 436 A HN 0.266 nan 8.150 nan 0.000 0.494 437 V N -0.330 119.679 119.914 0.158 0.000 2.721 437 V HA 0.149 4.269 4.120 0.000 0.000 0.236 437 V C 0.737 176.993 176.094 0.270 0.000 1.116 437 V CA 0.739 63.149 62.300 0.183 0.000 1.148 437 V CB -0.960 30.887 31.823 0.040 0.000 0.886 437 V HN 0.706 nan 8.190 nan 0.000 0.490 438 D N -0.317 120.187 120.400 0.174 0.000 2.344 438 D HA 0.125 4.765 4.640 0.000 0.000 0.253 438 D C 0.284 176.784 176.300 0.334 0.000 1.255 438 D CA -0.118 54.008 54.000 0.210 0.000 0.894 438 D CB 0.735 41.593 40.800 0.097 0.000 1.067 438 D HN 0.358 nan 8.370 nan 0.000 0.492 439 Y N 1.573 121.975 120.300 0.170 0.000 2.583 439 Y HA -0.089 4.461 4.550 0.000 0.000 0.293 439 Y C 2.519 178.554 175.900 0.224 0.000 1.157 439 Y CA 1.103 59.334 58.100 0.217 0.000 1.315 439 Y CB 0.008 38.550 38.460 0.137 0.000 1.021 439 Y HN 0.489 nan 8.280 nan 0.000 0.536 440 T N -4.440 110.227 114.554 0.190 0.000 3.023 440 T HA -0.189 4.162 4.350 0.000 0.000 0.266 440 T C 1.646 176.418 174.700 0.119 0.000 1.093 440 T CA 0.671 62.764 62.100 -0.011 0.000 1.129 440 T CB -0.518 67.951 68.868 -0.664 0.000 0.899 440 T HN 0.537 nan 8.240 nan 0.000 0.491 441 W N 0.602 121.898 121.300 -0.007 0.000 2.494 441 W HA 0.094 4.754 4.660 0.000 0.000 0.286 441 W C 1.902 178.440 176.519 0.032 0.000 1.218 441 W CA 0.234 57.588 57.345 0.016 0.000 1.313 441 W CB -0.501 28.960 29.460 0.001 0.000 1.105 441 W HN 0.235 nan 8.180 nan 0.000 0.561 442 Y N 1.232 121.422 120.300 -0.183 0.000 2.030 442 Y HA -0.337 4.213 4.550 0.000 0.000 0.274 442 Y C 2.356 178.095 175.900 -0.268 0.000 1.153 442 Y CA 3.206 61.024 58.100 -0.470 0.000 1.115 442 Y CB -1.146 37.052 38.460 -0.436 0.000 0.969 442 Y HN -0.165 nan 8.280 nan 0.000 0.488 443 V N 0.945 120.813 119.914 -0.078 0.000 2.317 443 V HA -0.371 3.749 4.120 0.000 0.000 0.251 443 V C 2.203 178.230 176.094 -0.112 0.000 1.065 443 V CA 2.328 64.588 62.300 -0.067 0.000 1.049 443 V CB -0.836 31.139 31.823 0.254 0.000 0.651 443 V HN 0.473 nan 8.190 nan 0.000 0.450 444 D N -0.425 119.974 120.400 -0.002 0.000 2.078 444 D HA -0.129 4.511 4.640 0.000 0.000 0.193 444 D C 2.284 178.475 176.300 -0.183 0.000 0.990 444 D CA 1.923 55.932 54.000 0.014 0.000 0.827 444 D CB -0.439 40.446 40.800 0.141 0.000 0.975 444 D HN 0.444 nan 8.370 nan 0.000 0.451 445 T N 1.567 115.869 114.554 -0.419 0.000 2.536 445 T HA -0.210 4.141 4.350 0.000 0.000 0.263 445 T C 1.999 176.485 174.700 -0.358 0.000 1.115 445 T CA 1.311 63.124 62.100 -0.479 0.000 1.180 445 T CB -0.400 67.960 68.868 -0.848 0.000 0.864 445 T HN 0.076 nan 8.240 nan 0.000 0.419 446 I N 1.818 122.096 120.570 -0.485 0.000 2.091 446 I HA -0.154 4.016 4.170 0.000 0.000 0.240 446 I C 2.059 178.060 176.117 -0.193 0.000 1.046 446 I CA 1.442 62.527 61.300 -0.358 0.000 1.306 446 I CB -1.577 36.133 38.000 -0.484 0.000 1.018 446 I HN 0.348 nan 8.210 nan 0.000 0.404 447 L N -0.660 120.465 121.223 -0.164 0.000 2.737 447 L HA 0.117 4.458 4.340 0.000 0.000 0.246 447 L C 1.309 178.137 176.870 -0.070 0.000 1.153 447 L CA 0.798 55.586 54.840 -0.087 0.000 0.920 447 L CB -2.215 39.811 42.059 -0.055 0.000 1.090 447 L HN 0.072 nan 8.230 nan 0.000 0.430 448 N N 0.201 118.850 118.700 -0.086 0.000 2.258 448 N HA 0.034 4.774 4.740 0.000 0.000 0.183 448 N C 1.539 177.017 175.510 -0.054 0.000 1.029 448 N CA 1.073 54.087 53.050 -0.060 0.000 0.857 448 N CB -0.271 38.180 38.487 -0.060 0.000 1.008 448 N HN 0.254 nan 8.380 nan 0.000 0.433 449 L N 1.112 122.296 121.223 -0.064 0.000 2.013 449 L HA -0.133 4.207 4.340 0.000 0.000 0.212 449 L C 2.009 178.862 176.870 -0.028 0.000 1.073 449 L CA 1.321 56.133 54.840 -0.046 0.000 0.753 449 L CB -0.797 41.236 42.059 -0.044 0.000 0.890 449 L HN 0.212 nan 8.230 nan 0.000 0.432 450 I N -1.251 119.304 120.570 -0.026 0.000 2.163 450 I HA -0.325 3.846 4.170 0.000 0.000 0.243 450 I C 2.807 178.920 176.117 -0.006 0.000 1.085 450 I CA 1.209 62.506 61.300 -0.006 0.000 1.347 450 I CB -0.336 37.648 38.000 -0.027 0.000 1.044 450 I HN 0.250 nan 8.210 nan 0.000 0.408 451 R N 1.063 121.548 120.500 -0.025 0.000 2.127 451 R HA -0.056 4.284 4.340 0.000 0.000 0.228 451 R C 0.753 177.037 176.300 -0.026 0.000 1.125 451 R CA 1.437 57.523 56.100 -0.024 0.000 0.904 451 R CB -0.011 30.271 30.300 -0.029 0.000 0.831 451 R HN 0.201 nan 8.270 nan 0.000 0.431 452 I N -0.038 120.509 120.570 -0.037 0.000 2.460 452 I HA 0.282 4.453 4.170 0.000 0.000 0.277 452 I C -0.506 175.570 176.117 -0.068 0.000 1.057 452 I CA -0.081 61.189 61.300 -0.050 0.000 1.179 452 I CB 1.733 39.709 38.000 -0.040 0.000 1.329 452 I HN 0.586 nan 8.210 nan 0.000 0.478 453 A N 3.925 126.695 122.820 -0.082 0.000 2.770 453 A HA -0.008 4.312 4.320 0.000 0.000 0.213 453 A C 1.344 178.914 177.584 -0.023 0.000 2.774 453 A CA 0.214 52.205 52.037 -0.077 0.000 1.608 453 A CB -1.550 17.389 19.000 -0.102 0.000 0.194 453 A HN 0.717 nan 8.150 nan 0.000 0.597 454 G N 0.289 109.019 108.800 -0.117 0.000 2.432 454 G HA2 -0.140 3.821 3.960 0.000 0.000 0.219 454 G HA3 -0.140 3.821 3.960 0.000 0.000 0.219 454 G C 0.933 175.683 174.900 -0.250 0.000 1.135 454 G CA 1.451 46.492 45.100 -0.099 0.000 0.767 454 G HN 0.494 nan 8.290 nan 0.000 0.550 455 D N -0.326 119.682 120.400 -0.654 0.000 2.322 455 D HA -0.104 4.536 4.640 0.000 0.000 0.210 455 D C 1.249 177.206 176.300 -0.572 0.000 0.983 455 D CA 0.885 54.462 54.000 -0.705 0.000 0.902 455 D CB -0.041 40.267 40.800 -0.821 0.000 0.905 455 D HN 0.545 nan 8.370 nan 0.000 0.483 456 Y N -0.883 119.338 120.300 -0.132 0.000 2.467 456 Y HA 0.182 4.732 4.550 0.000 0.000 0.250 456 Y C 0.688 176.569 175.900 -0.032 0.000 1.155 456 Y CA -0.330 57.721 58.100 -0.082 0.000 1.249 456 Y CB 0.669 39.052 38.460 -0.127 0.000 1.146 456 Y HN -0.274 nan 8.280 nan 0.000 0.524 457 V N 2.346 122.317 119.914 0.095 0.000 2.439 457 V HA 0.221 4.342 4.120 0.000 0.000 0.271 457 V C 0.398 176.559 176.094 0.111 0.000 1.040 457 V CA -0.549 61.809 62.300 0.097 0.000 1.002 457 V CB -0.166 31.718 31.823 0.102 0.000 1.000 457 V HN 0.368 nan 8.190 nan 0.000 0.477 458 S N 5.823 121.559 115.700 0.060 0.000 2.626 458 S HA 0.263 4.733 4.470 0.000 0.000 0.257 458 S C 1.036 175.595 174.600 -0.067 0.000 1.288 458 S CA -0.471 57.731 58.200 0.003 0.000 0.980 458 S CB 0.522 63.696 63.200 -0.043 0.000 0.975 458 S HN 0.795 nan 8.310 nan 0.000 0.577 459 E N 1.176 121.206 120.200 -0.283 0.000 2.051 459 E HA -0.164 4.186 4.350 0.000 0.000 0.192 459 E C 1.965 177.829 176.600 -1.226 0.000 0.991 459 E CA 1.276 57.119 56.400 -0.928 0.000 0.799 459 E CB -0.495 28.676 29.700 -0.882 0.000 0.748 459 E HN 0.662 nan 8.360 nan 0.000 0.449 460 E N 0.506 120.337 120.200 -0.615 0.000 2.114 460 E HA -0.181 4.169 4.350 0.000 0.000 0.199 460 E C 2.229 178.666 176.600 -0.272 0.000 1.008 460 E CA 1.598 57.782 56.400 -0.361 0.000 0.810 460 E CB -0.333 29.277 29.700 -0.150 0.000 0.739 460 E HN 0.149 nan 8.360 nan 0.000 0.456 461 V N 0.519 120.322 119.914 -0.186 0.000 2.358 461 V HA -0.193 3.927 4.120 0.000 0.000 0.246 461 V C 2.132 178.250 176.094 0.039 0.000 1.047 461 V CA 1.861 64.145 62.300 -0.027 0.000 1.035 461 V CB -1.139 30.703 31.823 0.033 0.000 0.658 461 V HN 0.542 nan 8.190 nan 0.000 0.452 462 W N -1.110 120.125 121.300 -0.108 0.000 2.863 462 W HA 0.098 4.758 4.660 0.000 0.000 0.258 462 W C 2.085 178.640 176.519 0.059 0.000 1.298 462 W CA -0.079 57.239 57.345 -0.044 0.000 1.451 462 W CB -0.899 28.522 29.460 -0.065 0.000 1.107 462 W HN 0.272 nan 8.180 nan 0.000 0.641 463 Y N 1.775 121.725 120.300 -0.583 0.000 2.128 463 Y HA -0.277 4.273 4.550 0.000 0.000 0.284 463 Y C 2.942 178.688 175.900 -0.258 0.000 1.154 463 Y CA 1.618 59.385 58.100 -0.554 0.000 1.149 463 Y CB -0.438 37.662 38.460 -0.601 0.000 0.976 463 Y HN -0.122 nan 8.280 nan 0.000 0.505 464 R N 0.962 121.473 120.500 0.018 0.000 2.189 464 R HA -0.115 4.225 4.340 0.000 0.000 0.223 464 R C 1.983 178.387 176.300 0.173 0.000 1.092 464 R CA 1.271 57.392 56.100 0.035 0.000 0.989 464 R CB -0.641 29.689 30.300 0.048 0.000 0.876 464 R HN 0.364 nan 8.270 nan 0.000 0.457 465 V N -1.963 118.111 119.914 0.267 0.000 2.323 465 V HA -0.083 4.038 4.120 0.000 0.000 0.244 465 V C 2.105 178.393 176.094 0.323 0.000 1.041 465 V CA 1.486 64.014 62.300 0.380 0.000 1.025 465 V CB -0.613 31.357 31.823 0.244 0.000 0.656 465 V HN 0.210 nan 8.190 nan 0.000 0.451 466 I N 0.253 121.000 120.570 0.295 0.000 2.118 466 I HA -0.332 3.838 4.170 0.000 0.000 0.241 466 I C 2.922 179.193 176.117 0.257 0.000 1.070 466 I CA 2.517 64.021 61.300 0.341 0.000 1.327 466 I CB -0.433 37.753 38.000 0.309 0.000 1.034 466 I HN 0.428 nan 8.210 nan 0.000 0.405 467 Q N 0.958 120.753 119.800 -0.009 0.000 1.998 467 Q HA -0.260 4.080 4.340 0.000 0.000 0.209 467 Q C 2.244 178.314 176.000 0.118 0.000 1.002 467 Q CA 2.353 58.048 55.803 -0.180 0.000 0.858 467 Q CB -0.156 28.341 28.738 -0.402 0.000 0.932 467 Q HN 0.486 nan 8.270 nan 0.000 0.416 468 I N -0.414 120.242 120.570 0.143 0.000 2.361 468 I HA -0.242 3.928 4.170 0.000 0.000 0.251 468 I C 2.110 178.370 176.117 0.239 0.000 1.133 468 I CA 0.684 62.091 61.300 0.178 0.000 1.413 468 I CB -0.175 37.920 38.000 0.158 0.000 1.073 468 I HN 0.151 nan 8.210 nan 0.000 0.424 469 V N 1.001 121.096 119.914 0.303 0.000 2.667 469 V HA -0.203 3.917 4.120 0.000 0.000 0.252 469 V C 2.181 178.441 176.094 0.277 0.000 1.065 469 V CA 1.469 63.941 62.300 0.287 0.000 1.083 469 V CB -0.141 31.895 31.823 0.355 0.000 0.692 469 V HN 0.335 nan 8.190 nan 0.000 0.468 470 I N 0.062 120.871 120.570 0.399 0.000 2.406 470 I HA -0.127 4.043 4.170 0.000 0.000 0.249 470 I C 2.191 178.475 176.117 0.278 0.000 1.122 470 I CA 0.931 62.511 61.300 0.466 0.000 1.431 470 I CB -0.303 38.008 38.000 0.518 0.000 1.087 470 I HN 0.369 nan 8.210 nan 0.000 0.424 471 N N 0.978 119.806 118.700 0.212 0.000 2.083 471 N HA -0.020 4.720 4.740 0.000 0.000 0.190 471 N C 0.581 176.122 175.510 0.053 0.000 1.047 471 N CA 0.888 54.012 53.050 0.123 0.000 0.845 471 N CB -0.279 38.267 38.487 0.098 0.000 1.025 471 N HN 0.085 nan 8.380 nan 0.000 0.428 472 R N 1.972 122.487 120.500 0.024 0.000 2.449 472 R HA 0.003 4.343 4.340 0.000 0.000 0.296 472 R C 0.444 176.731 176.300 -0.022 0.000 1.047 472 R CA 0.123 56.203 56.100 -0.034 0.000 1.018 472 R CB 0.497 30.762 30.300 -0.058 0.000 0.962 472 R HN 0.315 nan 8.270 nan 0.000 0.428 473 D N 1.459 121.834 120.400 -0.042 0.000 2.324 473 D HA -0.111 4.529 4.640 0.000 0.000 0.212 473 D C 0.765 177.031 176.300 -0.057 0.000 0.984 473 D CA 0.553 54.511 54.000 -0.070 0.000 0.885 473 D CB 0.268 41.041 40.800 -0.045 0.000 0.996 473 D HN 0.582 nan 8.370 nan 0.000 0.505 474 D N 0.816 121.202 120.400 -0.023 0.000 2.420 474 D HA -0.118 4.522 4.640 0.000 0.000 0.233 474 D C 1.441 177.765 176.300 0.040 0.000 1.017 474 D CA 0.641 54.643 54.000 0.004 0.000 0.951 474 D CB 0.030 40.833 40.800 0.006 0.000 0.877 474 D HN 0.282 nan 8.370 nan 0.000 0.528 475 V N -4.850 115.091 119.914 0.044 0.000 3.382 475 V HA 0.159 4.279 4.120 0.000 0.000 0.296 475 V C 1.881 178.009 176.094 0.056 0.000 1.529 475 V CA -0.313 62.062 62.300 0.126 0.000 1.048 475 V CB -0.112 31.844 31.823 0.221 0.000 0.878 475 V HN -0.099 nan 8.190 nan 0.000 0.442 476 Q N 1.697 121.411 119.800 -0.144 0.000 2.291 476 Q HA 0.045 4.386 4.340 0.000 0.000 0.205 476 Q C 2.119 178.020 176.000 -0.166 0.000 0.970 476 Q CA 1.845 57.395 55.803 -0.423 0.000 0.876 476 Q CB -0.123 28.023 28.738 -0.987 0.000 0.935 476 Q HN 0.790 nan 8.270 nan 0.000 0.455 477 G N 0.197 108.978 108.800 -0.032 0.000 2.456 477 G HA2 -0.292 3.668 3.960 0.000 0.000 0.213 477 G HA3 -0.292 3.668 3.960 0.000 0.000 0.213 477 G C 1.114 176.078 174.900 0.106 0.000 1.215 477 G CA 0.512 45.640 45.100 0.047 0.000 0.805 477 G HN 0.356 nan 8.290 nan 0.000 0.537 478 Y N 2.245 122.565 120.300 0.034 0.000 2.139 478 Y HA -0.209 4.342 4.550 0.000 0.000 0.282 478 Y C 2.906 178.857 175.900 0.084 0.000 1.179 478 Y CA 1.851 59.989 58.100 0.063 0.000 1.161 478 Y CB -0.418 38.084 38.460 0.071 0.000 0.970 478 Y HN 0.251 nan 8.280 nan 0.000 0.511 479 A N 0.374 123.245 122.820 0.086 0.000 1.877 479 A HA -0.110 4.210 4.320 0.000 0.000 0.216 479 A C 2.460 180.071 177.584 0.045 0.000 1.186 479 A CA 2.049 54.110 52.037 0.040 0.000 0.620 479 A CB -1.572 17.525 19.000 0.161 0.000 0.822 479 A HN 0.644 nan 8.150 nan 0.000 0.443 480 A N -0.521 122.360 122.820 0.102 0.000 1.933 480 A HA -0.163 4.158 4.320 0.000 0.000 0.218 480 A C 2.138 179.782 177.584 0.101 0.000 1.175 480 A CA 1.999 54.124 52.037 0.146 0.000 0.628 480 A CB -0.402 18.698 19.000 0.166 0.000 0.814 480 A HN 0.562 nan 8.150 nan 0.000 0.444 481 K N -1.042 119.376 120.400 0.031 0.000 1.991 481 K HA -0.104 4.216 4.320 0.000 0.000 0.207 481 K C 2.121 178.734 176.600 0.022 0.000 1.045 481 K CA 1.757 58.063 56.287 0.032 0.000 0.937 481 K CB -0.387 32.111 32.500 -0.004 0.000 0.720 481 K HN 0.407 nan 8.250 nan 0.000 0.438 482 T N 1.008 115.452 114.554 -0.183 0.000 2.684 482 T HA -0.146 4.204 4.350 0.000 0.000 0.267 482 T C 1.822 176.486 174.700 -0.060 0.000 1.036 482 T CA 1.406 63.375 62.100 -0.220 0.000 1.148 482 T CB -0.239 68.321 68.868 -0.514 0.000 0.863 482 T HN 0.005 nan 8.240 nan 0.000 0.436 483 V N 0.870 120.783 119.914 -0.002 0.000 2.469 483 V HA -0.118 4.003 4.120 0.000 0.000 0.251 483 V C 1.911 178.066 176.094 0.102 0.000 1.064 483 V CA 1.489 63.823 62.300 0.056 0.000 1.066 483 V CB -0.594 31.295 31.823 0.110 0.000 0.667 483 V HN 0.527 nan 8.190 nan 0.000 0.461 484 F N 0.857 120.809 119.950 0.004 0.000 2.456 484 F HA -0.047 4.480 4.527 0.000 0.000 0.298 484 F C 2.136 177.938 175.800 0.002 0.000 1.104 484 F CA 1.586 59.597 58.000 0.019 0.000 1.435 484 F CB 0.048 39.064 39.000 0.027 0.000 1.078 484 F HN 0.250 nan 8.300 nan 0.000 0.546 485 E N -0.122 120.047 120.200 -0.051 0.000 2.140 485 E HA 0.027 4.377 4.350 0.000 0.000 0.191 485 E C 2.335 178.849 176.600 -0.142 0.000 0.973 485 E CA 0.665 56.984 56.400 -0.136 0.000 0.829 485 E CB -0.236 29.460 29.700 -0.007 0.000 0.781 485 E HN 0.402 nan 8.360 nan 0.000 0.466 486 A N 1.426 124.191 122.820 -0.092 0.000 1.930 486 A HA -0.089 4.231 4.320 0.000 0.000 0.217 486 A C 2.067 179.590 177.584 -0.102 0.000 1.175 486 A CA 0.730 52.719 52.037 -0.079 0.000 0.627 486 A CB -0.560 18.408 19.000 -0.053 0.000 0.815 486 A HN 0.155 nan 8.150 nan 0.000 0.443 487 L N -0.078 121.071 121.223 -0.123 0.000 2.642 487 L HA -0.167 4.174 4.340 0.000 0.000 0.236 487 L C 2.284 179.045 176.870 -0.182 0.000 1.169 487 L CA 0.466 55.227 54.840 -0.132 0.000 0.851 487 L CB -0.258 41.733 42.059 -0.113 0.000 0.968 487 L HN 0.466 nan 8.230 nan 0.000 0.453 488 Q N -0.181 119.490 119.800 -0.214 0.000 2.269 488 Q HA 0.136 4.476 4.340 0.000 0.000 0.201 488 Q C 1.096 177.024 176.000 -0.120 0.000 0.946 488 Q CA 0.498 56.178 55.803 -0.206 0.000 0.877 488 Q CB 0.013 28.610 28.738 -0.235 0.000 0.963 488 Q HN 0.436 nan 8.270 nan 0.000 0.472 489 A N 2.222 124.986 122.820 -0.093 0.000 2.466 489 A HA 0.168 4.488 4.320 0.000 0.000 0.238 489 A C -1.468 176.082 177.584 -0.056 0.000 1.074 489 A CA -0.788 51.212 52.037 -0.062 0.000 0.774 489 A CB -0.018 18.953 19.000 -0.049 0.000 1.015 489 A HN 0.032 nan 8.150 nan 0.000 0.498 490 P HA 0.115 nan 4.420 nan 0.000 0.224 490 P C 1.262 178.543 177.300 -0.031 0.000 1.159 490 P CA 1.359 64.437 63.100 -0.036 0.000 0.824 490 P CB 0.242 31.925 31.700 -0.028 0.000 0.833 491 A N 0.768 123.573 122.820 -0.025 0.000 1.832 491 A HA 0.055 4.375 4.320 0.000 0.000 0.214 491 A C 0.783 178.357 177.584 -0.017 0.000 1.242 491 A CA 1.107 53.134 52.037 -0.016 0.000 0.603 491 A CB -1.471 17.524 19.000 -0.008 0.000 0.902 491 A HN 0.488 nan 8.150 nan 0.000 0.455 492 C N 0.296 119.588 119.300 -0.014 0.000 1.365 492 C HA -0.176 4.284 4.460 0.000 0.000 0.200 492 C C 0.417 175.413 174.990 0.010 0.000 0.807 492 C CA -0.077 58.934 59.018 -0.012 0.000 3.459 492 C CB -2.936 24.778 27.740 -0.043 0.000 2.073 492 C HN 0.871 nan 8.230 nan 0.000 0.195 493 H N 2.306 121.324 119.070 -0.087 0.000 2.983 493 H HA -0.000 4.556 4.556 0.001 0.000 0.361 493 H C 1.209 176.458 175.328 -0.132 0.000 1.145 493 H CA 1.196 57.182 56.048 -0.103 0.000 1.404 493 H CB 0.515 30.214 29.762 -0.105 0.000 1.356 493 H HN 0.955 nan 8.280 nan 0.000 0.612 494 E N 1.992 121.761 120.200 -0.718 0.000 2.204 494 E HA -0.191 4.159 4.350 0.000 0.000 0.195 494 E C 1.238 177.514 176.600 -0.540 0.000 0.990 494 E CA 1.022 57.095 56.400 -0.544 0.000 0.821 494 E CB 0.107 29.498 29.700 -0.514 0.000 0.750 494 E HN 0.551 nan 8.360 nan 0.000 0.477 495 N N 0.249 118.565 118.700 -0.640 0.000 2.453 495 N HA -0.124 4.617 4.740 0.000 0.000 0.183 495 N C 1.541 176.780 175.510 -0.452 0.000 1.041 495 N CA 0.444 53.147 53.050 -0.580 0.000 0.900 495 N CB -0.058 38.182 38.487 -0.411 0.000 0.961 495 N HN 0.244 nan 8.380 nan 0.000 0.443 496 L N 0.160 121.221 121.223 -0.271 0.000 2.023 496 L HA -0.044 4.297 4.340 0.000 0.000 0.205 496 L C 1.910 178.673 176.870 -0.180 0.000 1.073 496 L CA 0.864 55.598 54.840 -0.177 0.000 0.745 496 L CB -0.339 41.659 42.059 -0.101 0.000 0.900 496 L HN -0.144 nan 8.230 nan 0.000 0.435 497 V N -0.164 119.639 119.914 -0.186 0.000 2.546 497 V HA -0.358 3.762 4.120 0.000 0.000 0.254 497 V C 2.485 178.482 176.094 -0.161 0.000 1.076 497 V CA 1.956 64.172 62.300 -0.141 0.000 1.087 497 V CB -0.817 30.923 31.823 -0.139 0.000 0.674 497 V HN 0.431 nan 8.190 nan 0.000 0.470 498 K N -0.319 119.890 120.400 -0.319 0.000 1.980 498 K HA -0.074 4.246 4.320 0.000 0.000 0.208 498 K C 2.070 178.538 176.600 -0.221 0.000 1.043 498 K CA 1.385 57.431 56.287 -0.400 0.000 0.938 498 K CB -0.425 31.499 32.500 -0.960 0.000 0.724 498 K HN 0.300 nan 8.250 nan 0.000 0.438 499 V N 0.985 120.737 119.914 -0.270 0.000 2.392 499 V HA -0.229 3.891 4.120 0.000 0.000 0.249 499 V C 2.255 178.437 176.094 0.146 0.000 1.059 499 V CA 2.217 64.551 62.300 0.056 0.000 1.051 499 V CB -1.036 30.822 31.823 0.059 0.000 0.658 499 V HN 0.558 nan 8.190 nan 0.000 0.455 500 G N 0.039 108.878 108.800 0.065 0.000 2.404 500 G HA2 -0.076 3.884 3.960 0.000 0.000 0.214 500 G HA3 -0.076 3.884 3.960 0.000 0.000 0.214 500 G C 1.651 176.646 174.900 0.157 0.000 1.189 500 G CA 0.773 45.938 45.100 0.110 0.000 0.789 500 G HN 0.566 nan 8.290 nan 0.000 0.533 501 G N -0.274 108.603 108.800 0.128 0.000 2.442 501 G HA2 -0.282 3.679 3.960 0.000 0.000 0.219 501 G HA3 -0.282 3.679 3.960 0.000 0.000 0.219 501 G C 1.663 176.679 174.900 0.192 0.000 1.141 501 G CA 1.189 46.376 45.100 0.146 0.000 0.763 501 G HN 0.400 nan 8.290 nan 0.000 0.554 502 Y N 1.069 121.431 120.300 0.103 0.000 2.163 502 Y HA 0.057 4.607 4.550 0.000 0.000 0.288 502 Y C 2.646 178.609 175.900 0.106 0.000 1.136 502 Y CA 0.871 59.038 58.100 0.113 0.000 1.147 502 Y CB -0.172 38.390 38.460 0.170 0.000 0.987 502 Y HN 0.130 nan 8.280 nan 0.000 0.509 503 I N -0.119 120.583 120.570 0.221 0.000 2.335 503 I HA -0.311 3.859 4.170 0.000 0.000 0.251 503 I C 1.903 178.126 176.117 0.175 0.000 1.129 503 I CA 1.361 62.788 61.300 0.212 0.000 1.402 503 I CB -0.359 37.835 38.000 0.323 0.000 1.069 503 I HN 0.311 nan 8.210 nan 0.000 0.424 504 L N -0.241 121.100 121.223 0.196 0.000 2.509 504 L HA 0.053 4.393 4.340 0.000 0.000 0.222 504 L C 2.414 179.499 176.870 0.357 0.000 1.123 504 L CA 0.590 55.605 54.840 0.291 0.000 0.856 504 L CB -0.530 41.758 42.059 0.381 0.000 0.985 504 L HN 0.233 nan 8.230 nan 0.000 0.456 505 G N -0.645 108.236 108.800 0.135 0.000 2.411 505 G HA2 -0.138 3.822 3.960 0.000 0.000 0.213 505 G HA3 -0.138 3.822 3.960 0.000 0.000 0.213 505 G C 1.469 176.287 174.900 -0.136 0.000 1.166 505 G CA 0.071 45.227 45.100 0.094 0.000 0.802 505 G HN 0.136 nan 8.290 nan 0.000 0.533 506 E N 0.285 120.192 120.200 -0.489 0.000 2.014 506 E HA 0.106 4.456 4.350 0.000 0.000 0.190 506 E C 0.974 177.206 176.600 -0.613 0.000 0.980 506 E CA 0.488 56.412 56.400 -0.794 0.000 0.807 506 E CB -0.209 28.565 29.700 -1.542 0.000 0.770 506 E HN 0.442 nan 8.360 nan 0.000 0.451 507 F N -1.337 118.616 119.950 0.004 0.000 2.511 507 F HA 0.487 5.014 4.527 0.000 0.000 0.340 507 F C 1.845 177.696 175.800 0.085 0.000 1.094 507 F CA -0.291 57.733 58.000 0.041 0.000 1.119 507 F CB -0.061 38.972 39.000 0.055 0.000 1.775 507 F HN 0.198 nan 8.300 nan 0.000 0.536 508 G N 0.363 109.342 108.800 0.298 0.000 2.304 508 G HA2 -0.437 3.523 3.960 0.000 0.000 0.252 508 G HA3 -0.437 3.523 3.960 0.000 0.000 0.252 508 G C 0.844 175.841 174.900 0.162 0.000 1.014 508 G CA 0.869 46.081 45.100 0.187 0.000 0.619 508 G HN 0.889 nan 8.290 nan 0.000 0.525 509 N N 0.682 119.513 118.700 0.219 0.000 2.453 509 N HA 0.161 4.901 4.740 0.000 0.000 0.183 509 N C 1.671 177.278 175.510 0.161 0.000 1.041 509 N CA 1.519 54.747 53.050 0.296 0.000 0.900 509 N CB -0.253 38.264 38.487 0.049 0.000 0.961 509 N HN 0.730 nan 8.380 nan 0.000 0.443 510 L N -2.110 119.186 121.223 0.122 0.000 2.783 510 L HA 0.476 4.816 4.340 0.000 0.000 0.236 510 L C 0.563 177.454 176.870 0.035 0.000 1.225 510 L CA 0.258 55.144 54.840 0.076 0.000 1.026 510 L CB -0.476 41.634 42.059 0.085 0.000 1.314 510 L HN 0.281 nan 8.230 nan 0.000 0.489 511 I N -0.606 119.961 120.570 -0.005 0.000 4.661 511 I HA 0.232 4.402 4.170 0.000 0.000 0.372 511 I C 1.377 177.401 176.117 -0.155 0.000 1.209 511 I CA 0.359 61.616 61.300 -0.073 0.000 1.313 511 I CB 0.730 38.678 38.000 -0.087 0.000 1.949 511 I HN 0.239 nan 8.210 nan 0.000 0.651 512 A N 0.332 123.064 122.820 -0.147 0.000 2.259 512 A HA 0.346 4.666 4.320 0.000 0.000 0.208 512 A C 1.829 179.303 177.584 -0.184 0.000 1.201 512 A CA 0.903 52.781 52.037 -0.266 0.000 0.824 512 A CB -0.616 18.116 19.000 -0.446 0.000 0.838 512 A HN 0.429 nan 8.150 nan 0.000 0.485 513 G N -0.219 108.516 108.800 -0.108 0.000 2.551 513 G HA2 -0.053 3.908 3.960 0.000 0.000 0.214 513 G HA3 -0.053 3.908 3.960 0.000 0.000 0.214 513 G C 0.419 175.270 174.900 -0.082 0.000 1.250 513 G CA 0.526 45.582 45.100 -0.075 0.000 0.825 513 G HN 0.445 nan 8.290 nan 0.000 0.549 514 D N 1.274 121.629 120.400 -0.076 0.000 2.586 514 D HA 0.084 4.724 4.640 0.000 0.000 0.234 514 D C -1.417 174.824 176.300 -0.098 0.000 1.132 514 D CA -1.309 52.650 54.000 -0.070 0.000 0.860 514 D CB 1.569 42.333 40.800 -0.060 0.000 1.159 514 D HN 0.025 nan 8.370 nan 0.000 0.490 515 P HA 0.045 nan 4.420 nan 0.000 0.236 515 P C 1.307 178.573 177.300 -0.058 0.000 1.177 515 P CA 0.084 63.139 63.100 -0.076 0.000 0.773 515 P CB 0.278 31.950 31.700 -0.048 0.000 0.878 516 R N 0.720 121.198 120.500 -0.037 0.000 2.178 516 R HA -0.120 4.220 4.340 0.000 0.000 0.257 516 R C 0.639 176.929 176.300 -0.016 0.000 1.163 516 R CA 2.054 58.161 56.100 0.012 0.000 0.981 516 R CB -0.799 29.517 30.300 0.027 0.000 0.878 516 R HN 0.307 nan 8.270 nan 0.000 0.454 517 S N -0.722 114.850 115.700 -0.214 0.000 2.399 517 S HA 0.137 4.607 4.470 0.000 0.000 0.198 517 S C -0.122 174.239 174.600 -0.397 0.000 1.294 517 S CA -0.636 57.236 58.200 -0.546 0.000 1.237 517 S CB 0.904 63.446 63.200 -1.098 0.000 1.286 517 S HN 0.216 nan 8.310 nan 0.000 0.404 518 S N 2.758 118.313 115.700 -0.241 0.000 2.563 518 S HA 0.186 4.656 4.470 0.000 0.000 0.269 518 S C -0.771 173.608 174.600 -0.367 0.000 1.364 518 S CA -0.438 57.606 58.200 -0.259 0.000 1.010 518 S CB 0.386 63.490 63.200 -0.158 0.000 0.877 518 S HN 0.345 nan 8.310 nan 0.000 0.549 519 P HA -0.115 nan 4.420 nan 0.000 0.216 519 P C 1.653 178.750 177.300 -0.338 0.000 1.150 519 P CA 0.916 63.481 63.100 -0.893 0.000 0.837 519 P CB -0.074 30.859 31.700 -1.278 0.000 0.786 520 L N -1.345 119.768 121.223 -0.183 0.000 2.179 520 L HA 0.001 4.341 4.340 0.000 0.000 0.208 520 L C 2.228 179.153 176.870 0.092 0.000 1.096 520 L CA 1.299 56.138 54.840 -0.003 0.000 0.779 520 L CB -0.854 41.193 42.059 -0.019 0.000 0.922 520 L HN -0.245 nan 8.230 nan 0.000 0.443 521 I N -0.157 120.433 120.570 0.033 0.000 2.394 521 I HA -0.219 3.951 4.170 0.000 0.000 0.251 521 I C 2.421 178.664 176.117 0.211 0.000 1.136 521 I CA 1.280 62.645 61.300 0.108 0.000 1.425 521 I CB -1.105 36.946 38.000 0.085 0.000 1.079 521 I HN 0.494 nan 8.210 nan 0.000 0.425 522 Q N -0.730 119.186 119.800 0.194 0.000 2.049 522 Q HA -0.191 4.150 4.340 0.000 0.000 0.198 522 Q C 2.261 178.489 176.000 0.379 0.000 0.971 522 Q CA 1.322 57.330 55.803 0.342 0.000 0.833 522 Q CB -0.329 28.577 28.738 0.280 0.000 0.896 522 Q HN 0.430 nan 8.270 nan 0.000 0.434 523 F N 2.263 122.371 119.950 0.263 0.000 2.171 523 F HA -0.159 4.369 4.527 0.001 0.000 0.300 523 F C 1.666 177.486 175.800 0.033 0.000 1.090 523 F CA 1.133 59.198 58.000 0.107 0.000 1.293 523 F CB -0.102 38.927 39.000 0.048 0.000 1.013 523 F HN 0.007 nan 8.300 nan 0.000 0.486 524 N N 0.806 119.528 118.700 0.035 0.000 2.223 524 N HA -0.152 4.589 4.740 0.000 0.000 0.185 524 N C 1.879 177.360 175.510 -0.047 0.000 1.016 524 N CA 1.337 54.353 53.050 -0.056 0.000 0.863 524 N CB -0.532 38.006 38.487 0.085 0.000 0.983 524 N HN 0.383 nan 8.380 nan 0.000 0.429 525 L N 0.891 122.136 121.223 0.036 0.000 2.044 525 L HA 0.064 4.404 4.340 0.000 0.000 0.205 525 L C 1.933 178.810 176.870 0.012 0.000 1.075 525 L CA 1.289 56.153 54.840 0.039 0.000 0.747 525 L CB -0.722 41.401 42.059 0.108 0.000 0.903 525 L HN 0.052 nan 8.230 nan 0.000 0.435 526 L N -0.935 120.306 121.223 0.030 0.000 2.093 526 L HA -0.212 4.128 4.340 0.000 0.000 0.208 526 L C 2.634 179.544 176.870 0.067 0.000 1.085 526 L CA 1.429 56.309 54.840 0.066 0.000 0.755 526 L CB -0.845 41.295 42.059 0.135 0.000 0.904 526 L HN 0.482 nan 8.230 nan 0.000 0.435 527 H N -0.347 118.587 119.070 -0.226 0.000 2.524 527 H HA -0.088 4.468 4.556 0.001 0.000 0.282 527 H C 2.321 177.615 175.328 -0.058 0.000 1.016 527 H CA 1.159 57.072 56.048 -0.224 0.000 1.270 527 H CB 0.538 29.852 29.762 -0.747 0.000 1.394 527 H HN 0.381 nan 8.280 nan 0.000 0.568 528 S N 0.293 115.936 115.700 -0.095 0.000 2.406 528 S HA -0.048 4.422 4.470 0.000 0.000 0.228 528 S C 1.756 176.324 174.600 -0.053 0.000 1.020 528 S CA 0.421 58.574 58.200 -0.079 0.000 0.965 528 S CB -0.018 63.159 63.200 -0.038 0.000 0.798 528 S HN 0.346 nan 8.310 nan 0.000 0.488 529 K N -0.199 120.185 120.400 -0.028 0.000 2.418 529 K HA 0.152 4.472 4.320 0.000 0.000 0.195 529 K C 1.425 178.012 176.600 -0.022 0.000 1.035 529 K CA 0.254 56.524 56.287 -0.027 0.000 1.003 529 K CB -0.243 32.239 32.500 -0.030 0.000 0.793 529 K HN 0.422 nan 8.250 nan 0.000 0.494 530 F N 2.143 121.985 119.950 -0.180 0.000 2.014 530 F HA -0.165 4.363 4.527 0.001 0.000 0.295 530 F C 1.565 177.238 175.800 -0.210 0.000 1.145 530 F CA 1.452 59.316 58.000 -0.227 0.000 1.178 530 F CB -0.193 38.612 39.000 -0.324 0.000 0.972 530 F HN 0.120 nan 8.300 nan 0.000 0.476 531 H N 3.309 122.399 119.070 0.032 0.000 4.288 531 H HA 0.158 4.715 4.556 0.000 0.000 0.184 531 H C 0.372 175.641 175.328 -0.098 0.000 1.451 531 H CA 1.141 57.168 56.048 -0.035 0.000 1.364 531 H CB -1.133 28.641 29.762 0.018 0.000 1.615 531 H HN 0.497 nan 8.280 nan 0.000 0.800 532 L N -2.912 118.274 121.223 -0.062 0.000 4.292 532 L HA 0.142 4.482 4.340 0.000 0.000 0.456 532 L C -1.214 175.578 176.870 -0.130 0.000 1.071 532 L CA -0.196 54.600 54.840 -0.073 0.000 1.614 532 L CB -0.987 41.049 42.059 -0.039 0.000 1.447 532 L HN 0.044 nan 8.230 nan 0.000 0.552 533 C N 1.689 120.860 119.300 -0.214 0.000 2.454 533 C HA 0.705 5.166 4.460 0.000 0.000 0.336 533 C C 1.520 176.371 174.990 -0.232 0.000 1.189 533 C CA 0.236 59.118 59.018 -0.226 0.000 1.877 533 C CB 1.792 29.377 27.740 -0.259 0.000 2.348 533 C HN 0.694 nan 8.230 nan 0.000 0.508 534 S N 1.598 117.189 115.700 -0.182 0.000 2.553 534 S HA 0.044 4.515 4.470 0.000 0.000 0.271 534 S C 1.063 175.559 174.600 -0.173 0.000 1.362 534 S CA -0.126 57.985 58.200 -0.147 0.000 1.010 534 S CB 0.296 63.428 63.200 -0.113 0.000 0.865 534 S HN 0.562 nan 8.310 nan 0.000 0.543 535 V N 2.763 122.599 119.914 -0.131 0.000 2.255 535 V HA -0.092 4.028 4.120 0.000 0.000 0.247 535 V C -0.535 175.499 176.094 -0.099 0.000 1.051 535 V CA 2.160 64.386 62.300 -0.124 0.000 1.018 535 V CB -1.982 29.797 31.823 -0.074 0.000 0.641 535 V HN 0.783 nan 8.190 nan 0.000 0.445 536 P HA -0.124 nan 4.420 nan 0.000 0.220 536 P C 1.563 178.852 177.300 -0.018 0.000 1.144 536 P CA 1.603 64.698 63.100 -0.009 0.000 0.800 536 P CB -0.167 31.549 31.700 0.027 0.000 0.772 537 T N -1.714 112.789 114.554 -0.086 0.000 3.035 537 T HA 0.078 4.428 4.350 0.000 0.000 0.259 537 T C 1.764 176.381 174.700 -0.138 0.000 1.078 537 T CA 0.563 62.595 62.100 -0.114 0.000 1.132 537 T CB -0.175 68.588 68.868 -0.175 0.000 0.900 537 T HN 0.117 nan 8.240 nan 0.000 0.480 538 R N 0.862 121.225 120.500 -0.229 0.000 2.119 538 R HA 0.203 4.543 4.340 0.000 0.000 0.222 538 R C 2.674 178.969 176.300 -0.007 0.000 1.088 538 R CA 0.935 56.843 56.100 -0.319 0.000 0.984 538 R CB -0.198 29.670 30.300 -0.719 0.000 0.884 538 R HN 0.288 nan 8.270 nan 0.000 0.447 539 A N 1.349 124.157 122.820 -0.021 0.000 1.897 539 A HA -0.128 4.192 4.320 0.000 0.000 0.215 539 A C 1.991 179.611 177.584 0.061 0.000 1.181 539 A CA 0.849 52.901 52.037 0.026 0.000 0.620 539 A CB -0.396 18.611 19.000 0.013 0.000 0.821 539 A HN 0.212 nan 8.150 nan 0.000 0.443 540 L N -0.664 120.593 121.223 0.057 0.000 2.083 540 L HA -0.093 4.248 4.340 0.000 0.000 0.209 540 L C 1.999 178.916 176.870 0.079 0.000 1.083 540 L CA 1.637 56.536 54.840 0.097 0.000 0.752 540 L CB -0.952 41.168 42.059 0.101 0.000 0.899 540 L HN 0.236 nan 8.230 nan 0.000 0.433 541 L N -0.829 120.409 121.223 0.024 0.000 2.056 541 L HA -0.149 4.191 4.340 0.000 0.000 0.207 541 L C 2.547 179.230 176.870 -0.311 0.000 1.078 541 L CA 1.502 56.300 54.840 -0.071 0.000 0.749 541 L CB -1.046 41.031 42.059 0.031 0.000 0.901 541 L HN 0.263 nan 8.230 nan 0.000 0.433 542 L N -1.582 119.523 121.223 -0.196 0.000 2.012 542 L HA -0.254 4.086 4.340 0.000 0.000 0.210 542 L C 2.555 179.568 176.870 0.238 0.000 1.073 542 L CA 1.297 56.081 54.840 -0.094 0.000 0.748 542 L CB -0.644 41.447 42.059 0.053 0.000 0.891 542 L HN 0.216 nan 8.230 nan 0.000 0.431 543 S N -0.713 115.178 115.700 0.318 0.000 2.380 543 S HA -0.229 4.241 4.470 0.000 0.000 0.229 543 S C 1.944 176.539 174.600 -0.009 0.000 1.043 543 S CA 2.063 60.376 58.200 0.189 0.000 1.038 543 S CB -0.309 63.019 63.200 0.212 0.000 0.872 543 S HN 0.482 nan 8.310 nan 0.000 0.456 544 T N 0.694 115.264 114.554 0.028 0.000 2.821 544 T HA -0.037 4.313 4.350 0.000 0.000 0.267 544 T C 1.420 176.074 174.700 -0.078 0.000 1.046 544 T CA 1.051 63.133 62.100 -0.031 0.000 1.139 544 T CB -0.438 68.416 68.868 -0.023 0.000 0.871 544 T HN 0.549 nan 8.240 nan 0.000 0.454 545 Y N 0.037 120.222 120.300 -0.191 0.000 2.207 545 Y HA -0.119 4.431 4.550 0.000 0.000 0.287 545 Y C 2.398 178.238 175.900 -0.101 0.000 1.156 545 Y CA 0.177 58.187 58.100 -0.150 0.000 1.182 545 Y CB -0.133 38.330 38.460 0.004 0.000 0.979 545 Y HN 0.149 nan 8.280 nan 0.000 0.521 546 I N 0.442 121.002 120.570 -0.016 0.000 2.584 546 I HA -0.183 3.987 4.170 0.000 0.000 0.255 546 I C 1.888 177.939 176.117 -0.110 0.000 1.145 546 I CA 1.253 62.461 61.300 -0.154 0.000 1.462 546 I CB -0.259 37.400 38.000 -0.568 0.000 1.102 546 I HN -0.045 nan 8.210 nan 0.000 0.433 547 K N -0.413 119.935 120.400 -0.087 0.000 2.211 547 K HA -0.178 4.142 4.320 0.000 0.000 0.204 547 K C 1.923 178.584 176.600 0.101 0.000 1.047 547 K CA 1.258 57.533 56.287 -0.021 0.000 0.935 547 K CB -0.279 32.220 32.500 -0.003 0.000 0.728 547 K HN 0.218 nan 8.250 nan 0.000 0.452 548 F N 0.706 120.597 119.950 -0.098 0.000 2.128 548 F HA -0.120 4.407 4.527 0.000 0.000 0.295 548 F C 2.294 178.017 175.800 -0.128 0.000 1.100 548 F CA 0.359 58.316 58.000 -0.071 0.000 1.260 548 F CB -0.910 38.158 39.000 0.113 0.000 1.009 548 F HN -0.282 nan 8.300 nan 0.000 0.476 549 V N 0.289 120.258 119.914 0.093 0.000 2.453 549 V HA -0.357 3.763 4.120 0.000 0.000 0.252 549 V C 2.192 178.244 176.094 -0.070 0.000 1.068 549 V CA 2.137 64.431 62.300 -0.010 0.000 1.070 549 V CB -1.078 30.731 31.823 -0.024 0.000 0.664 549 V HN 0.473 nan 8.190 nan 0.000 0.461 550 N N -0.166 118.469 118.700 -0.109 0.000 2.092 550 N HA -0.126 4.614 4.740 0.000 0.000 0.189 550 N C 1.816 177.183 175.510 -0.238 0.000 1.040 550 N CA 1.089 54.049 53.050 -0.150 0.000 0.845 550 N CB -0.003 38.394 38.487 -0.150 0.000 1.017 550 N HN 0.291 nan 8.380 nan 0.000 0.426 551 L N 0.204 121.166 121.223 -0.435 0.000 2.056 551 L HA -0.001 4.339 4.340 0.000 0.000 0.207 551 L C 0.110 176.533 176.870 -0.746 0.000 1.078 551 L CA 1.441 55.809 54.840 -0.786 0.000 0.749 551 L CB -0.478 40.699 42.059 -1.470 0.000 0.901 551 L HN 0.160 nan 8.230 nan 0.000 0.433 552 F N -1.198 118.668 119.950 -0.141 0.000 2.564 552 F HA 0.334 4.861 4.527 0.000 0.000 0.361 552 F C -1.655 174.079 175.800 -0.109 0.000 1.161 552 F CA -1.721 56.192 58.000 -0.146 0.000 1.198 552 F CB 0.600 39.469 39.000 -0.217 0.000 1.424 552 F HN -0.122 nan 8.300 nan 0.000 0.517 553 P HA -0.185 nan 4.420 nan 0.000 0.229 553 P C 1.147 178.446 177.300 -0.001 0.000 1.150 553 P CA 1.198 64.295 63.100 -0.004 0.000 0.765 553 P CB 0.112 31.802 31.700 -0.017 0.000 0.783 554 E N -0.243 119.968 120.200 0.018 0.000 2.072 554 E HA -0.090 4.260 4.350 0.000 0.000 0.190 554 E C 1.582 178.159 176.600 -0.037 0.000 0.982 554 E CA 1.532 57.925 56.400 -0.011 0.000 0.803 554 E CB -0.936 28.755 29.700 -0.015 0.000 0.755 554 E HN 0.244 nan 8.360 nan 0.000 0.453 555 V N -0.588 119.303 119.914 -0.038 0.000 3.633 555 V HA 0.137 4.257 4.120 0.000 0.000 0.283 555 V C 2.112 178.118 176.094 -0.147 0.000 1.305 555 V CA 0.627 62.860 62.300 -0.111 0.000 1.153 555 V CB -0.356 31.387 31.823 -0.133 0.000 0.950 555 V HN 0.072 nan 8.190 nan 0.000 0.432 556 K N 1.544 121.895 120.400 -0.082 0.000 2.057 556 K HA -0.115 4.205 4.320 0.000 0.000 0.207 556 K C 2.185 178.724 176.600 -0.100 0.000 1.049 556 K CA 1.749 57.986 56.287 -0.083 0.000 0.931 556 K CB -0.462 32.009 32.500 -0.049 0.000 0.714 556 K HN 0.544 nan 8.250 nan 0.000 0.440 557 A N 0.650 123.419 122.820 -0.086 0.000 1.892 557 A HA -0.202 4.118 4.320 0.000 0.000 0.218 557 A C 2.213 179.734 177.584 -0.104 0.000 1.188 557 A CA 2.431 54.423 52.037 -0.075 0.000 0.631 557 A CB -1.194 17.772 19.000 -0.058 0.000 0.822 557 A HN 0.485 nan 8.150 nan 0.000 0.447 558 T N 0.078 114.536 114.554 -0.159 0.000 2.643 558 T HA -0.015 4.336 4.350 0.000 0.000 0.256 558 T C 1.842 176.358 174.700 -0.308 0.000 1.061 558 T CA 1.288 63.264 62.100 -0.207 0.000 1.163 558 T CB -0.459 68.254 68.868 -0.260 0.000 0.865 558 T HN 0.373 nan 8.240 nan 0.000 0.407 559 I N 1.258 121.491 120.570 -0.562 0.000 2.300 559 I HA -0.316 3.854 4.170 0.000 0.000 0.252 559 I C 2.803 178.792 176.117 -0.214 0.000 1.119 559 I CA 1.446 62.390 61.300 -0.593 0.000 1.384 559 I CB -0.445 37.211 38.000 -0.573 0.000 1.062 559 I HN 0.365 nan 8.210 nan 0.000 0.426 560 Q N 1.106 120.818 119.800 -0.147 0.000 2.030 560 Q HA -0.254 4.086 4.340 0.000 0.000 0.204 560 Q C 0.935 176.918 176.000 -0.029 0.000 0.986 560 Q CA 2.236 58.004 55.803 -0.058 0.000 0.843 560 Q CB 0.018 28.728 28.738 -0.047 0.000 0.904 560 Q HN 0.712 nan 8.270 nan 0.000 0.420 561 D N -1.396 118.981 120.400 -0.038 0.000 2.395 561 D HA 0.017 4.658 4.640 0.000 0.000 0.226 561 D C 0.791 177.096 176.300 0.008 0.000 1.146 561 D CA -0.018 53.978 54.000 -0.005 0.000 0.830 561 D CB 0.569 41.369 40.800 0.000 0.000 0.958 561 D HN 0.024 nan 8.370 nan 0.000 0.501 562 V N 0.030 119.940 119.914 -0.007 0.000 2.825 562 V HA 0.005 4.125 4.120 0.000 0.000 0.246 562 V C 1.989 178.116 176.094 0.054 0.000 1.068 562 V CA 0.751 63.058 62.300 0.011 0.000 1.088 562 V CB -0.114 31.672 31.823 -0.061 0.000 0.733 562 V HN 0.366 nan 8.190 nan 0.000 0.468 563 L N -0.585 120.673 121.223 0.058 0.000 2.418 563 L HA 0.071 4.411 4.340 0.000 0.000 0.218 563 L C 2.459 179.365 176.870 0.060 0.000 1.125 563 L CA 0.906 55.791 54.840 0.076 0.000 0.835 563 L CB -0.362 41.755 42.059 0.097 0.000 0.953 563 L HN 0.191 nan 8.230 nan 0.000 0.454 564 R N 0.365 120.894 120.500 0.048 0.000 2.189 564 R HA 0.033 4.374 4.340 0.000 0.000 0.203 564 R C 1.108 177.438 176.300 0.049 0.000 1.012 564 R CA 0.254 56.379 56.100 0.041 0.000 1.015 564 R CB 0.386 30.703 30.300 0.028 0.000 0.938 564 R HN 0.343 nan 8.270 nan 0.000 0.472 565 S N 0.701 116.438 115.700 0.062 0.000 2.572 565 S HA 0.003 4.473 4.470 0.000 0.000 0.279 565 S C 0.631 175.281 174.600 0.082 0.000 1.341 565 S CA -0.629 57.615 58.200 0.073 0.000 1.043 565 S CB 1.033 64.290 63.200 0.094 0.000 0.887 565 S HN 0.147 nan 8.310 nan 0.000 0.516 566 D N 2.754 123.196 120.400 0.071 0.000 2.157 566 D HA -0.170 4.470 4.640 0.000 0.000 0.191 566 D C 2.017 178.372 176.300 0.091 0.000 1.004 566 D CA 1.898 55.939 54.000 0.067 0.000 0.854 566 D CB -0.862 39.969 40.800 0.053 0.000 0.936 566 D HN 0.677 nan 8.370 nan 0.000 0.446 567 S N 0.725 116.498 115.700 0.122 0.000 2.409 567 S HA -0.255 4.216 4.470 0.000 0.000 0.237 567 S C 1.935 176.652 174.600 0.195 0.000 1.060 567 S CA 1.536 59.843 58.200 0.178 0.000 1.052 567 S CB -0.197 63.171 63.200 0.281 0.000 0.871 567 S HN 0.260 nan 8.310 nan 0.000 0.465 568 Q N 0.155 120.053 119.800 0.163 0.000 2.287 568 Q HA 0.350 4.690 4.340 0.000 0.000 0.201 568 Q C 2.140 178.188 176.000 0.080 0.000 0.946 568 Q CA 0.605 56.487 55.803 0.132 0.000 0.868 568 Q CB -0.316 28.487 28.738 0.109 0.000 0.967 568 Q HN 0.424 nan 8.270 nan 0.000 0.516 569 L N 0.079 121.342 121.223 0.066 0.000 2.217 569 L HA -0.048 4.292 4.340 0.000 0.000 0.211 569 L C 1.117 178.009 176.870 0.036 0.000 1.107 569 L CA 1.091 55.957 54.840 0.042 0.000 0.783 569 L CB 0.031 42.113 42.059 0.038 0.000 0.919 569 L HN 0.111 nan 8.230 nan 0.000 0.442 570 K N -0.935 119.492 120.400 0.045 0.000 2.373 570 K HA 0.088 4.408 4.320 0.000 0.000 0.202 570 K C 0.368 176.993 176.600 0.041 0.000 1.025 570 K CA -0.386 55.923 56.287 0.037 0.000 1.115 570 K CB 0.185 32.706 32.500 0.035 0.000 0.858 570 K HN 0.083 nan 8.250 nan 0.000 0.525 571 N N 1.557 120.290 118.700 0.054 0.000 2.232 571 N HA -0.143 4.597 4.740 0.000 0.000 0.251 571 N C 0.665 176.196 175.510 0.035 0.000 1.242 571 N CA 0.380 53.465 53.050 0.059 0.000 0.837 571 N CB 0.914 39.442 38.487 0.070 0.000 1.079 571 N HN 0.241 nan 8.380 nan 0.000 0.461 572 A N 2.472 125.310 122.820 0.030 0.000 2.123 572 A HA -0.035 4.285 4.320 0.000 0.000 0.214 572 A C 0.694 178.284 177.584 0.009 0.000 1.152 572 A CA 0.425 52.472 52.037 0.017 0.000 0.728 572 A CB -0.035 18.973 19.000 0.014 0.000 0.814 572 A HN 0.735 nan 8.150 nan 0.000 0.464 573 D N -0.003 120.402 120.400 0.008 0.000 2.304 573 D HA 0.257 4.897 4.640 0.000 0.000 0.250 573 D C 1.698 177.997 176.300 -0.003 0.000 1.107 573 D CA 0.474 54.474 54.000 -0.001 0.000 0.885 573 D CB 1.653 42.449 40.800 -0.006 0.000 1.192 573 D HN 0.116 nan 8.370 nan 0.000 0.436 574 V N 2.661 122.571 119.914 -0.007 0.000 2.233 574 V HA -0.202 3.918 4.120 0.000 0.000 0.247 574 V C 2.033 178.115 176.094 -0.019 0.000 1.050 574 V CA 1.917 64.210 62.300 -0.011 0.000 1.010 574 V CB -0.943 30.873 31.823 -0.011 0.000 0.637 574 V HN 0.552 nan 8.190 nan 0.000 0.444 575 E N 0.479 120.668 120.200 -0.020 0.000 2.085 575 E HA -0.186 4.164 4.350 0.000 0.000 0.194 575 E C 1.868 178.445 176.600 -0.038 0.000 0.994 575 E CA 1.656 58.039 56.400 -0.028 0.000 0.801 575 E CB -0.525 29.164 29.700 -0.019 0.000 0.743 575 E HN 0.527 nan 8.360 nan 0.000 0.453 576 L N 0.663 121.873 121.223 -0.021 0.000 2.083 576 L HA -0.101 4.239 4.340 0.000 0.000 0.209 576 L C 2.414 179.274 176.870 -0.017 0.000 1.083 576 L CA 1.761 56.597 54.840 -0.007 0.000 0.752 576 L CB -0.852 41.220 42.059 0.022 0.000 0.899 576 L HN 0.304 nan 8.230 nan 0.000 0.433 577 Q N -1.681 118.109 119.800 -0.017 0.000 2.245 577 Q HA -0.146 4.194 4.340 0.000 0.000 0.201 577 Q C 2.018 177.987 176.000 -0.052 0.000 0.955 577 Q CA 0.657 56.450 55.803 -0.018 0.000 0.870 577 Q CB 0.285 29.020 28.738 -0.004 0.000 0.945 577 Q HN 0.480 nan 8.270 nan 0.000 0.461 578 Q N 0.516 120.273 119.800 -0.072 0.000 1.965 578 Q HA -0.141 4.199 4.340 0.000 0.000 0.200 578 Q C 2.080 177.958 176.000 -0.202 0.000 0.981 578 Q CA 1.390 57.131 55.803 -0.104 0.000 0.834 578 Q CB -0.239 28.444 28.738 -0.091 0.000 0.900 578 Q HN 0.242 nan 8.270 nan 0.000 0.426 579 R N 0.556 120.893 120.500 -0.272 0.000 2.133 579 R HA -0.183 4.157 4.340 0.000 0.000 0.247 579 R C 2.173 178.126 176.300 -0.579 0.000 1.151 579 R CA 1.648 57.394 56.100 -0.590 0.000 0.971 579 R CB -0.619 29.425 30.300 -0.426 0.000 0.866 579 R HN 0.335 nan 8.270 nan 0.000 0.447 580 A N -0.105 122.577 122.820 -0.230 0.000 1.832 580 A HA -0.103 4.217 4.320 0.000 0.000 0.214 580 A C 2.296 179.847 177.584 -0.055 0.000 1.200 580 A CA 1.558 53.543 52.037 -0.087 0.000 0.610 580 A CB -0.831 18.163 19.000 -0.011 0.000 0.842 580 A HN 0.104 nan 8.150 nan 0.000 0.444 581 V N 0.425 120.307 119.914 -0.054 0.000 2.278 581 V HA -0.347 3.773 4.120 0.000 0.000 0.251 581 V C 2.464 178.547 176.094 -0.019 0.000 1.062 581 V CA 2.557 64.843 62.300 -0.024 0.000 1.038 581 V CB -1.051 30.758 31.823 -0.024 0.000 0.646 581 V HN 0.640 nan 8.190 nan 0.000 0.447 582 E N -0.898 119.257 120.200 -0.075 0.000 2.017 582 E HA -0.212 4.138 4.350 0.000 0.000 0.193 582 E C 2.283 178.957 176.600 0.123 0.000 0.997 582 E CA 1.722 58.108 56.400 -0.023 0.000 0.804 582 E CB -0.259 29.377 29.700 -0.106 0.000 0.757 582 E HN 0.647 nan 8.360 nan 0.000 0.448 583 Y N 0.372 120.683 120.300 0.018 0.000 2.224 583 Y HA -0.159 4.391 4.550 0.000 0.000 0.289 583 Y C 2.215 178.125 175.900 0.017 0.000 1.146 583 Y CA 0.496 58.608 58.100 0.020 0.000 1.182 583 Y CB -0.832 37.646 38.460 0.030 0.000 0.983 583 Y HN 0.127 nan 8.280 nan 0.000 0.524 584 L N 0.340 121.664 121.223 0.169 0.000 2.027 584 L HA -0.098 4.242 4.340 0.000 0.000 0.206 584 L C 2.417 179.328 176.870 0.069 0.000 1.074 584 L CA 1.616 56.513 54.840 0.096 0.000 0.745 584 L CB -0.687 41.410 42.059 0.065 0.000 0.898 584 L HN -0.109 nan 8.230 nan 0.000 0.433 585 R N 0.134 120.672 120.500 0.063 0.000 2.096 585 R HA -0.155 4.185 4.340 0.000 0.000 0.240 585 R C 2.154 178.483 176.300 0.048 0.000 1.139 585 R CA 2.249 58.376 56.100 0.046 0.000 0.952 585 R CB -1.053 29.270 30.300 0.038 0.000 0.854 585 R HN 0.611 nan 8.270 nan 0.000 0.436 586 L N -0.437 120.828 121.223 0.071 0.000 2.492 586 L HA 0.208 4.548 4.340 0.000 0.000 0.223 586 L C 1.689 178.581 176.870 0.037 0.000 1.132 586 L CA 1.704 56.577 54.840 0.055 0.000 0.850 586 L CB -0.662 41.440 42.059 0.070 0.000 0.966 586 L HN 0.155 nan 8.230 nan 0.000 0.454 587 S N -1.907 113.820 115.700 0.044 0.000 2.481 587 S HA -0.085 4.386 4.470 0.000 0.000 0.231 587 S C 1.597 176.204 174.600 0.010 0.000 0.996 587 S CA 1.204 59.416 58.200 0.019 0.000 0.942 587 S CB -0.680 62.533 63.200 0.022 0.000 0.768 587 S HN 0.564 nan 8.310 nan 0.000 0.520 588 T N 1.033 115.597 114.554 0.017 0.000 2.980 588 T HA 0.227 4.577 4.350 0.000 0.000 0.239 588 T C 1.773 176.478 174.700 0.008 0.000 1.011 588 T CA 0.891 62.998 62.100 0.010 0.000 1.171 588 T CB -0.261 68.615 68.868 0.013 0.000 0.873 588 T HN 0.223 nan 8.240 nan 0.000 0.431 589 V N 1.891 121.813 119.914 0.013 0.000 2.488 589 V HA 0.229 4.349 4.120 0.000 0.000 0.246 589 V C 1.509 177.606 176.094 0.006 0.000 1.046 589 V CA 0.598 62.903 62.300 0.009 0.000 1.053 589 V CB -0.851 30.980 31.823 0.012 0.000 0.679 589 V HN 0.509 nan 8.190 nan 0.000 0.458 590 A N 0.633 123.457 122.820 0.007 0.000 2.531 590 A HA 0.282 4.602 4.320 0.000 0.000 0.236 590 A C 0.795 178.376 177.584 -0.005 0.000 1.062 590 A CA 0.119 52.157 52.037 0.002 0.000 0.760 590 A CB -0.057 18.944 19.000 0.002 0.000 0.995 590 A HN 0.435 nan 8.150 nan 0.000 0.501 591 S N 1.393 117.089 115.700 -0.007 0.000 2.568 591 S HA 0.119 4.590 4.470 0.000 0.000 0.282 591 S C 1.442 176.033 174.600 -0.015 0.000 1.338 591 S CA 0.147 58.341 58.200 -0.010 0.000 1.045 591 S CB 0.808 64.002 63.200 -0.010 0.000 0.873 591 S HN 0.752 nan 8.310 nan 0.000 0.516 592 T N 1.904 116.447 114.554 -0.018 0.000 2.929 592 T HA -0.100 4.250 4.350 0.000 0.000 0.271 592 T C 1.010 175.694 174.700 -0.027 0.000 1.085 592 T CA 1.283 63.368 62.100 -0.024 0.000 1.125 592 T CB -0.260 68.593 68.868 -0.024 0.000 0.874 592 T HN 0.518 nan 8.240 nan 0.000 0.494 593 D N 0.812 121.199 120.400 -0.022 0.000 2.106 593 D HA 0.034 4.675 4.640 0.000 0.000 0.203 593 D C 1.956 178.243 176.300 -0.022 0.000 0.977 593 D CA 0.366 54.353 54.000 -0.022 0.000 0.844 593 D CB -0.411 40.379 40.800 -0.017 0.000 1.002 593 D HN 0.145 nan 8.370 nan 0.000 0.461 594 I N 0.888 121.447 120.570 -0.018 0.000 2.264 594 I HA -0.180 3.990 4.170 0.000 0.000 0.248 594 I C 2.188 178.293 176.117 -0.020 0.000 1.111 594 I CA 0.854 62.145 61.300 -0.016 0.000 1.382 594 I CB -0.370 37.624 38.000 -0.010 0.000 1.060 594 I HN 0.025 nan 8.210 nan 0.000 0.418 595 L N 0.033 121.242 121.223 -0.024 0.000 1.994 595 L HA -0.200 4.140 4.340 0.000 0.000 0.208 595 L C 2.502 179.345 176.870 -0.045 0.000 1.071 595 L CA 1.835 56.655 54.840 -0.032 0.000 0.745 595 L CB -0.556 41.482 42.059 -0.035 0.000 0.892 595 L HN 0.255 nan 8.230 nan 0.000 0.431 596 A N -1.010 121.781 122.820 -0.048 0.000 2.076 596 A HA -0.212 4.108 4.320 0.000 0.000 0.220 596 A C 2.136 179.691 177.584 -0.048 0.000 1.160 596 A CA 2.261 54.264 52.037 -0.057 0.000 0.653 596 A CB -0.941 18.027 19.000 -0.054 0.000 0.801 596 A HN 0.601 nan 8.150 nan 0.000 0.455 597 T N -1.067 113.465 114.554 -0.037 0.000 2.851 597 T HA -0.036 4.315 4.350 0.000 0.000 0.262 597 T C 1.817 176.498 174.700 -0.030 0.000 1.043 597 T CA 1.164 63.246 62.100 -0.030 0.000 1.140 597 T CB -0.453 68.402 68.868 -0.022 0.000 0.872 597 T HN 0.128 nan 8.240 nan 0.000 0.446 598 V N 1.501 121.398 119.914 -0.029 0.000 2.343 598 V HA -0.007 4.114 4.120 0.000 0.000 0.247 598 V C 1.845 177.915 176.094 -0.039 0.000 1.051 598 V CA 1.428 63.713 62.300 -0.025 0.000 1.036 598 V CB -0.540 31.273 31.823 -0.017 0.000 0.654 598 V HN 0.434 nan 8.190 nan 0.000 0.451 599 L N -0.231 120.958 121.223 -0.057 0.000 2.848 599 L HA 0.232 4.572 4.340 0.000 0.000 0.240 599 L C 0.992 177.816 176.870 -0.076 0.000 1.232 599 L CA -0.079 54.715 54.840 -0.077 0.000 1.031 599 L CB -0.329 41.668 42.059 -0.104 0.000 1.338 599 L HN 0.307 nan 8.230 nan 0.000 0.509 600 E N 1.162 121.328 120.200 -0.057 0.000 2.665 600 E HA -0.155 4.195 4.350 0.000 0.000 0.269 600 E C 0.788 177.355 176.600 -0.056 0.000 1.432 600 E CA 0.470 56.840 56.400 -0.051 0.000 1.176 600 E CB 0.424 30.103 29.700 -0.035 0.000 0.966 600 E HN 0.417 nan 8.360 nan 0.000 0.581 601 E N 0.551 120.728 120.200 -0.039 0.000 2.463 601 E HA -0.003 4.347 4.350 0.000 0.000 0.191 601 E C -0.410 176.171 176.600 -0.032 0.000 1.083 601 E CA -0.031 56.345 56.400 -0.039 0.000 0.872 601 E CB -0.068 29.637 29.700 0.008 0.000 0.966 601 E HN 0.266 nan 8.360 nan 0.000 0.491 602 M N 0.190 119.771 119.600 -0.031 0.000 4.047 602 M HA -0.119 4.361 4.480 0.000 0.000 0.157 602 M C -2.305 173.991 176.300 -0.007 0.000 1.532 602 M CA 0.070 55.355 55.300 -0.025 0.000 1.097 602 M CB -1.379 31.214 32.600 -0.011 0.000 1.346 602 M HN 0.065 nan 8.290 nan 0.000 0.191 603 P HA 0.372 nan 4.420 nan 0.000 0.274 603 P C -2.185 175.108 177.300 -0.010 0.000 1.264 603 P CA -0.634 62.450 63.100 -0.026 0.000 0.795 603 P CB -0.112 31.550 31.700 -0.063 0.000 1.064 604 P HA 0.180 nan 4.420 nan 0.000 0.274 604 P C -0.765 176.551 177.300 0.028 0.000 1.256 604 P CA -0.037 63.114 63.100 0.084 0.000 0.795 604 P CB 0.249 31.999 31.700 0.084 0.000 1.038 605 F N 1.121 121.107 119.950 0.060 0.000 2.411 605 F HA 0.286 4.813 4.527 0.000 0.000 0.350 605 F C -1.543 174.271 175.800 0.023 0.000 1.114 605 F CA -1.777 56.246 58.000 0.039 0.000 1.135 605 F CB 0.390 39.417 39.000 0.045 0.000 1.120 605 F HN 0.163 nan 8.300 nan 0.000 0.495 606 P HA -0.038 nan 4.420 nan 0.000 0.261 606 P C -0.629 176.747 177.300 0.127 0.000 1.203 606 P CA 0.069 63.229 63.100 0.100 0.000 0.767 606 P CB 0.329 32.062 31.700 0.055 0.000 0.785 607 E N 4.252 124.503 120.200 0.086 0.000 1.896 607 E HA -0.024 4.327 4.350 0.000 0.000 0.276 607 E C 0.331 176.960 176.600 0.049 0.000 1.171 607 E CA 0.191 56.630 56.400 0.065 0.000 1.118 607 E CB -0.246 29.478 29.700 0.041 0.000 1.077 607 E HN 0.332 nan 8.360 nan 0.000 0.452 608 R N 1.991 122.526 120.500 0.057 0.000 2.587 608 R HA -0.128 4.212 4.340 0.000 0.000 0.268 608 R C 0.819 177.135 176.300 0.025 0.000 0.978 608 R CA 1.014 57.139 56.100 0.041 0.000 1.097 608 R CB 0.273 30.598 30.300 0.041 0.000 0.917 608 R HN 0.514 nan 8.270 nan 0.000 0.414 609 E N 0.970 121.182 120.200 0.020 0.000 2.393 609 E HA 0.328 4.678 4.350 0.000 0.000 0.273 609 E C -1.198 175.409 176.600 0.011 0.000 0.918 609 E CA -1.008 55.401 56.400 0.014 0.000 0.773 609 E CB 1.456 31.163 29.700 0.013 0.000 1.275 609 E HN 0.347 nan 8.360 nan 0.000 0.451 610 S N 1.320 117.026 115.700 0.009 0.000 2.560 610 S HA 0.160 4.630 4.470 0.000 0.000 0.284 610 S C -0.075 174.530 174.600 0.008 0.000 1.327 610 S CA -0.341 57.864 58.200 0.008 0.000 1.055 610 S CB 0.432 63.636 63.200 0.007 0.000 0.868 610 S HN 0.558 nan 8.310 nan 0.000 0.506 611 S N 1.971 117.676 115.700 0.008 0.000 2.525 611 S HA 0.498 4.968 4.470 0.000 0.000 0.278 611 S C -0.180 174.424 174.600 0.007 0.000 1.234 611 S CA -0.908 57.296 58.200 0.007 0.000 1.058 611 S CB 0.173 63.378 63.200 0.007 0.000 0.983 611 S HN 0.562 nan 8.310 nan 0.000 0.495 612 I N 3.725 124.298 120.570 0.006 0.000 2.329 612 I HA 0.073 4.243 4.170 0.000 0.000 0.295 612 I C 1.109 177.230 176.117 0.007 0.000 1.109 612 I CA -0.283 61.020 61.300 0.006 0.000 1.297 612 I CB 0.190 38.194 38.000 0.006 0.000 1.433 612 I HN 0.681 nan 8.210 nan 0.000 0.509 613 L N 5.676 126.903 121.223 0.007 0.000 2.217 613 L HA 0.107 4.447 4.340 0.000 0.000 0.211 613 L C 0.951 177.825 176.870 0.007 0.000 1.107 613 L CA 0.638 55.482 54.840 0.007 0.000 0.783 613 L CB -0.181 41.883 42.059 0.008 0.000 0.919 613 L HN 0.756 nan 8.230 nan 0.000 0.442 614 A N 0.015 122.839 122.820 0.007 0.000 2.530 614 A HA 0.503 4.824 4.320 0.000 0.000 0.297 614 A C -0.946 176.643 177.584 0.007 0.000 1.059 614 A CA -0.602 51.439 52.037 0.007 0.000 0.782 614 A CB 1.407 20.412 19.000 0.008 0.000 1.301 614 A HN 0.003 nan 8.150 nan 0.000 0.394 615 K N 2.182 122.586 120.400 0.007 0.000 2.426 615 K HA 0.614 4.935 4.320 0.000 0.000 0.251 615 K C -1.339 175.265 176.600 0.006 0.000 0.941 615 K CA -0.950 55.341 56.287 0.006 0.000 0.808 615 K CB 1.568 34.071 32.500 0.006 0.000 1.265 615 K HN 0.577 nan 8.250 nan 0.000 0.432 616 L N 4.741 125.967 121.223 0.006 0.000 2.600 616 L HA 0.060 4.400 4.340 0.000 0.000 0.278 616 L C 0.383 177.257 176.870 0.006 0.000 1.139 616 L CA 1.050 55.894 54.840 0.007 0.000 0.933 616 L CB -0.224 41.839 42.059 0.007 0.000 1.266 616 L HN 0.685 nan 8.230 nan 0.000 0.471 617 K N 2.766 123.170 120.400 0.006 0.000 4.501 617 K HA 0.163 4.483 4.320 0.000 0.000 0.199 617 K C 0.358 176.961 176.600 0.005 0.000 1.152 617 K CA -0.662 55.628 56.287 0.005 0.000 1.896 617 K CB -0.009 32.494 32.500 0.005 0.000 2.663 617 K HN 0.189 nan 8.250 nan 0.000 0.544 618 K N 2.942 123.345 120.400 0.005 0.000 3.296 618 K HA -0.107 4.214 4.320 0.000 0.000 0.275 618 K C -0.455 176.148 176.600 0.006 0.000 0.901 618 K CA 0.625 56.915 56.287 0.005 0.000 1.049 618 K CB -0.977 31.526 32.500 0.005 0.000 1.134 618 K HN 0.436 nan 8.250 nan 0.000 0.318 619 K N -0.334 120.069 120.400 0.006 0.000 3.129 619 K HA -0.262 4.059 4.320 0.000 0.000 0.273 619 K C -1.450 175.154 176.600 0.007 0.000 1.123 619 K CA 1.761 58.052 56.287 0.006 0.000 0.800 619 K CB -2.143 30.361 32.500 0.006 0.000 1.238 619 K HN 0.569 nan 8.250 nan 0.000 0.492 620 K N -2.681 117.723 120.400 0.007 0.000 2.597 620 K HA 0.464 4.784 4.320 0.000 0.000 0.282 620 K C 0.925 177.530 176.600 0.008 0.000 0.975 620 K CA -0.773 55.518 56.287 0.008 0.000 0.867 620 K CB 1.101 33.605 32.500 0.008 0.000 1.465 620 K HN -0.036 nan 8.250 nan 0.000 0.417 621 G N 1.820 110.625 108.800 0.009 0.000 2.875 621 G HA2 -0.292 3.669 3.960 0.000 0.000 0.227 621 G HA3 -0.292 3.669 3.960 0.000 0.000 0.227 621 G C 0.699 175.604 174.900 0.008 0.000 1.259 621 G CA 1.033 46.138 45.100 0.009 0.000 0.780 621 G HN 0.846 nan 8.290 nan 0.000 0.685 622 G N -0.454 108.350 108.800 0.008 0.000 2.391 622 G HA2 0.365 4.325 3.960 0.000 0.000 0.234 622 G HA3 0.365 4.325 3.960 0.000 0.000 0.234 622 G C 0.259 175.163 174.900 0.007 0.000 1.284 622 G CA 0.791 45.896 45.100 0.007 0.000 0.873 622 G HN 0.649 nan 8.290 nan 0.000 0.549 623 S N 0.000 115.704 115.700 0.007 0.000 2.498 623 S HA 0.000 4.470 4.470 0.000 0.000 0.327 623 S CA 0.000 58.204 58.200 0.006 0.000 1.107 623 S CB 0.000 63.204 63.200 0.006 0.000 0.593 623 S HN 0.000 nan 8.310 nan 0.000 0.517