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 1h2u_1_B DATA FIRST_RESID 27 DATA SEQUENCE TEDHLESLIC KVGEKSACSL ESNLEGLAGV LEADLPNYKS KILRLLCTVA DATA SEQUENCE RLLPEKLTIY TTLVGLLNAR NYNFGGEFVE AMIRQLKESL KANNYNEAVY DATA SEQUENCE LVRFLSDLVN CHVIAAPSMV AMFENFVSVT QEEDVPQVRR DWYVYAFLSS DATA SEQUENCE LPWVGKELYE KKDAEMDRIF ANTESYLKRR QKTHVPMLQV WTADKPHPQE DATA SEQUENCE EYLDCLWAQI QKLKKDRWQE RHILRPYLAF DSILCEALQH NLPPFTPPPH DATA SEQUENCE TEDSVYPMPR VIFRMFDYTD DPEGPVMPGS HSVERFVIEE NLHCIIKSHW DATA SEQUENCE KERKTCAAQL VSYPGKNKIP LNYHIVEVIF AELFQLPAPP HIDVMYTTLL DATA SEQUENCE IELCKLQPGS LPQVLAQATE MLYMRLDTMN TTCVDRFINW FSHHLSNFQF DATA SEQUENCE RWSWEDWSDC LSQDPESPKP KFVREVLEKC MRLSYHQRIL DIVPPTFSAL DATA SEQUENCE CPSNPTCIYK YGDESSNSLP GHSVALCLAV AFKSKATNDE IFSILKDVPN DATA SEQUENCE PXXXXXXXXX XSFNPLKIEV FVQTLLHLAA KSFSHSFSAL AKFHEVFKTL DATA SEQUENCE AESDEGKLHV LRVMFEVWRN HPQMIAVLVD KMIRTQIVDC AAVANWIFSS DATA SEQUENCE ELSRDFTRLF VWEILHSTIR KMNKHVGXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXAQSEQ KNLFLVIFQR FIMILTEHLV DATA SEQUENCE RCETDGTSVL TPWYKNCIER LQQIFLQHHQ IIQQYMVTLE NLLFTAELDP DATA SEQUENCE HILAVFQQFC ALQA 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 27 T HA 0.000 nan 4.350 nan 0.000 0.228 27 T C 0.000 174.614 174.700 -0.143 0.000 1.109 27 T CA 0.000 62.064 62.100 -0.060 0.000 1.349 27 T CB 0.000 68.864 68.868 -0.008 0.000 0.612 28 E N 0.075 120.211 120.200 -0.106 0.000 2.274 28 E HA -0.076 4.273 4.350 -0.002 0.000 0.194 28 E C 0.884 177.451 176.600 -0.055 0.000 0.996 28 E CA 0.973 57.305 56.400 -0.113 0.000 0.840 28 E CB -0.045 29.649 29.700 -0.010 0.000 0.772 28 E HN 0.564 nan 8.360 nan 0.000 0.491 29 D N 0.057 120.449 120.400 -0.014 0.000 2.097 29 D HA -0.172 4.467 4.640 -0.002 0.000 0.195 29 D C 1.784 178.096 176.300 0.020 0.000 0.989 29 D CA 1.141 55.145 54.000 0.007 0.000 0.827 29 D CB -0.329 40.484 40.800 0.022 0.000 0.966 29 D HN 0.208 nan 8.370 nan 0.000 0.456 30 H N 0.050 119.080 119.070 -0.067 0.000 2.352 30 H HA -0.099 4.456 4.556 -0.002 0.000 0.299 30 H C 1.942 177.230 175.328 -0.067 0.000 1.097 30 H CA 1.142 57.153 56.048 -0.062 0.000 1.311 30 H CB -0.438 29.279 29.762 -0.075 0.000 1.377 30 H HN 0.002 nan 8.280 nan 0.000 0.504 31 L N 0.914 122.051 121.223 -0.143 0.000 2.012 31 L HA -0.147 4.192 4.340 -0.002 0.000 0.210 31 L C 2.595 179.383 176.870 -0.136 0.000 1.073 31 L CA 2.322 57.051 54.840 -0.185 0.000 0.748 31 L CB -0.943 41.016 42.059 -0.168 0.000 0.891 31 L HN 0.517 nan 8.230 nan 0.000 0.431 32 E N -1.586 118.563 120.200 -0.086 0.000 2.077 32 E HA -0.248 4.101 4.350 -0.002 0.000 0.193 32 E C 2.324 178.892 176.600 -0.054 0.000 0.989 32 E CA 1.406 57.774 56.400 -0.053 0.000 0.800 32 E CB -0.124 29.558 29.700 -0.031 0.000 0.746 32 E HN 0.434 nan 8.360 nan 0.000 0.452 33 S N 0.155 115.813 115.700 -0.070 0.000 2.353 33 S HA -0.160 4.309 4.470 -0.002 0.000 0.222 33 S C 2.052 176.605 174.600 -0.079 0.000 1.035 33 S CA 1.355 59.520 58.200 -0.058 0.000 1.025 33 S CB -0.397 62.774 63.200 -0.049 0.000 0.902 33 S HN 0.348 nan 8.310 nan 0.000 0.440 34 L N 0.900 122.016 121.223 -0.179 0.000 2.013 34 L HA -0.179 4.160 4.340 -0.002 0.000 0.212 34 L C 2.432 179.278 176.870 -0.039 0.000 1.073 34 L CA 1.659 56.406 54.840 -0.156 0.000 0.753 34 L CB -0.683 41.220 42.059 -0.260 0.000 0.890 34 L HN 0.397 nan 8.230 nan 0.000 0.432 35 I N -1.015 119.545 120.570 -0.016 0.000 2.252 35 I HA -0.300 3.869 4.170 -0.002 0.000 0.245 35 I C 2.565 178.787 176.117 0.175 0.000 1.102 35 I CA 1.054 62.404 61.300 0.083 0.000 1.385 35 I CB -0.330 37.690 38.000 0.033 0.000 1.064 35 I HN 0.393 nan 8.210 nan 0.000 0.414 36 C N 0.563 119.919 119.300 0.094 0.000 2.450 36 C HA -0.076 4.383 4.460 -0.002 0.000 0.279 36 C C 2.550 177.622 174.990 0.137 0.000 1.335 36 C CA 0.606 59.703 59.018 0.132 0.000 1.749 36 C CB -0.873 26.904 27.740 0.062 0.000 1.963 36 C HN 0.401 nan 8.230 nan 0.000 0.501 37 K N 0.351 120.797 120.400 0.076 0.000 2.400 37 K HA 0.085 4.404 4.320 -0.002 0.000 0.194 37 K C 0.722 177.344 176.600 0.037 0.000 1.033 37 K CA 0.057 56.374 56.287 0.051 0.000 1.021 37 K CB 0.060 32.574 32.500 0.022 0.000 0.808 37 K HN 0.310 nan 8.250 nan 0.000 0.505 38 V N 0.980 120.919 119.914 0.041 0.000 2.673 38 V HA 0.115 4.234 4.120 -0.002 0.000 0.303 38 V C 1.001 177.065 176.094 -0.051 0.000 1.046 38 V CA 1.606 63.903 62.300 -0.006 0.000 1.126 38 V CB 0.337 32.154 31.823 -0.011 0.000 0.934 38 V HN 0.740 nan 8.190 nan 0.000 0.487 39 G N 3.885 112.653 108.800 -0.053 0.000 2.195 39 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.246 39 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.246 39 G C 0.126 175.009 174.900 -0.029 0.000 0.984 39 G CA 0.369 45.430 45.100 -0.066 0.000 0.633 39 G HN 0.796 nan 8.290 nan 0.000 0.525 40 E N 0.744 120.939 120.200 -0.007 0.000 2.602 40 E HA 0.436 4.785 4.350 -0.002 0.000 0.255 40 E C 0.562 177.161 176.600 -0.003 0.000 1.268 40 E CA -0.573 55.829 56.400 0.004 0.000 1.007 40 E CB 0.475 30.185 29.700 0.017 0.000 1.208 40 E HN 0.522 nan 8.360 nan 0.000 0.584 41 K N 0.417 120.817 120.400 -0.001 0.000 2.530 41 K HA 0.064 4.382 4.320 -0.002 0.000 0.280 41 K C -0.327 176.272 176.600 -0.002 0.000 1.004 41 K CA 0.242 56.528 56.287 -0.003 0.000 1.071 41 K CB 0.438 32.937 32.500 -0.002 0.000 0.876 41 K HN 0.296 nan 8.250 nan 0.000 0.487 42 S N 1.084 116.782 115.700 -0.003 0.000 2.567 42 S HA 0.498 4.967 4.470 -0.002 0.000 0.270 42 S C -0.003 174.595 174.600 -0.002 0.000 1.152 42 S CA -0.245 57.954 58.200 -0.001 0.000 0.835 42 S CB 1.533 64.733 63.200 -0.001 0.000 1.115 42 S HN 0.692 nan 8.310 nan 0.000 0.459 43 A N 1.199 124.019 122.820 -0.000 0.000 2.072 43 A HA 0.290 4.609 4.320 -0.002 0.000 0.216 43 A C 0.933 178.516 177.584 -0.002 0.000 1.156 43 A CA 0.543 52.580 52.037 -0.001 0.000 0.701 43 A CB -0.723 18.277 19.000 0.001 0.000 0.816 43 A HN 0.756 nan 8.150 nan 0.000 0.458 44 C N 0.539 119.839 119.300 0.000 0.000 2.351 44 C HA 0.585 5.043 4.460 -0.002 0.000 0.359 44 C C 1.313 176.302 174.990 -0.001 0.000 1.193 44 C CA -0.366 58.653 59.018 0.001 0.000 2.270 44 C CB 1.107 28.852 27.740 0.007 0.000 2.369 44 C HN 0.641 nan 8.230 nan 0.000 0.553 45 S N 1.578 117.277 115.700 -0.003 0.000 2.593 45 S HA 0.168 4.637 4.470 -0.002 0.000 0.269 45 S C 0.838 175.442 174.600 0.006 0.000 1.334 45 S CA -0.427 57.769 58.200 -0.007 0.000 1.015 45 S CB 0.343 63.533 63.200 -0.016 0.000 0.912 45 S HN 0.661 nan 8.310 nan 0.000 0.541 46 L N 1.164 122.387 121.223 0.001 0.000 2.042 46 L HA -0.025 4.314 4.340 -0.002 0.000 0.210 46 L C 2.284 179.195 176.870 0.068 0.000 1.076 46 L CA 2.031 56.879 54.840 0.012 0.000 0.749 46 L CB -1.286 40.767 42.059 -0.009 0.000 0.893 46 L HN 0.850 nan 8.230 nan 0.000 0.432 47 E N -0.678 119.573 120.200 0.085 0.000 2.038 47 E HA -0.230 4.119 4.350 -0.002 0.000 0.195 47 E C 2.419 179.153 176.600 0.224 0.000 1.000 47 E CA 1.608 58.128 56.400 0.200 0.000 0.803 47 E CB -0.737 28.940 29.700 -0.039 0.000 0.750 47 E HN 0.529 nan 8.360 nan 0.000 0.448 48 S N 0.107 115.863 115.700 0.093 0.000 2.365 48 S HA -0.244 4.225 4.470 -0.002 0.000 0.225 48 S C 1.744 176.392 174.600 0.079 0.000 1.039 48 S CA 1.905 60.152 58.200 0.078 0.000 1.033 48 S CB -0.457 62.763 63.200 0.033 0.000 0.887 48 S HN 0.312 nan 8.310 nan 0.000 0.447 49 N N 0.385 119.119 118.700 0.057 0.000 2.120 49 N HA -0.009 4.729 4.740 -0.002 0.000 0.188 49 N C 1.819 177.349 175.510 0.033 0.000 1.024 49 N CA 1.443 54.514 53.050 0.035 0.000 0.852 49 N CB -0.240 38.256 38.487 0.015 0.000 1.003 49 N HN 0.347 nan 8.380 nan 0.000 0.424 50 L N 0.676 121.931 121.223 0.052 0.000 2.056 50 L HA -0.157 4.182 4.340 -0.002 0.000 0.207 50 L C 2.489 179.354 176.870 -0.007 0.000 1.078 50 L CA 0.991 55.833 54.840 0.003 0.000 0.749 50 L CB -0.291 41.758 42.059 -0.017 0.000 0.901 50 L HN 0.182 nan 8.230 nan 0.000 0.433 51 E N 0.455 120.709 120.200 0.091 0.000 2.038 51 E HA -0.193 4.156 4.350 -0.002 0.000 0.195 51 E C 2.110 178.735 176.600 0.042 0.000 1.000 51 E CA 1.719 58.180 56.400 0.102 0.000 0.803 51 E CB -0.479 29.344 29.700 0.204 0.000 0.750 51 E HN 0.336 nan 8.360 nan 0.000 0.448 52 G N 0.673 109.498 108.800 0.043 0.000 2.459 52 G HA2 -0.269 3.690 3.960 -0.002 0.000 0.217 52 G HA3 -0.269 3.690 3.960 -0.002 0.000 0.217 52 G C 1.512 176.415 174.900 0.004 0.000 1.183 52 G CA 0.973 46.087 45.100 0.024 0.000 0.776 52 G HN 0.346 nan 8.290 nan 0.000 0.552 53 L N 1.553 122.773 121.223 -0.004 0.000 2.079 53 L HA 0.075 4.414 4.340 -0.002 0.000 0.210 53 L C 3.054 179.904 176.870 -0.034 0.000 1.081 53 L CA 2.020 56.849 54.840 -0.018 0.000 0.752 53 L CB -0.831 41.220 42.059 -0.013 0.000 0.896 53 L HN 0.264 nan 8.230 nan 0.000 0.433 54 A N -0.591 122.204 122.820 -0.042 0.000 1.883 54 A HA -0.115 4.204 4.320 -0.002 0.000 0.217 54 A C 2.373 179.921 177.584 -0.060 0.000 1.186 54 A CA 1.714 53.712 52.037 -0.066 0.000 0.624 54 A CB -1.577 17.376 19.000 -0.078 0.000 0.822 54 A HN 0.521 nan 8.150 nan 0.000 0.444 55 G N -0.566 108.215 108.800 -0.031 0.000 2.459 55 G HA2 -0.142 3.817 3.960 -0.002 0.000 0.217 55 G HA3 -0.142 3.817 3.960 -0.002 0.000 0.217 55 G C 1.548 176.434 174.900 -0.024 0.000 1.183 55 G CA 1.314 46.401 45.100 -0.021 0.000 0.776 55 G HN 0.322 nan 8.290 nan 0.000 0.552 56 V N 1.048 120.952 119.914 -0.017 0.000 2.255 56 V HA -0.178 3.941 4.120 -0.002 0.000 0.247 56 V C 2.966 179.043 176.094 -0.028 0.000 1.051 56 V CA 1.760 64.054 62.300 -0.009 0.000 1.018 56 V CB -0.541 31.279 31.823 -0.004 0.000 0.641 56 V HN 0.355 nan 8.190 nan 0.000 0.445 57 L N -0.280 120.908 121.223 -0.058 0.000 2.042 57 L HA -0.239 4.100 4.340 -0.002 0.000 0.210 57 L C 2.623 179.412 176.870 -0.135 0.000 1.076 57 L CA 2.072 56.856 54.840 -0.094 0.000 0.749 57 L CB -0.628 41.356 42.059 -0.126 0.000 0.893 57 L HN 0.472 nan 8.230 nan 0.000 0.432 58 E N 0.449 120.566 120.200 -0.138 0.000 2.058 58 E HA -0.265 4.084 4.350 -0.002 0.000 0.194 58 E C 2.173 178.728 176.600 -0.075 0.000 0.997 58 E CA 1.341 57.654 56.400 -0.144 0.000 0.801 58 E CB -0.015 29.627 29.700 -0.098 0.000 0.746 58 E HN 0.471 nan 8.360 nan 0.000 0.450 59 A N 0.700 123.501 122.820 -0.033 0.000 2.067 59 A HA -0.146 4.173 4.320 -0.002 0.000 0.219 59 A C 1.599 179.204 177.584 0.035 0.000 1.158 59 A CA 1.500 53.538 52.037 0.003 0.000 0.661 59 A CB -0.119 18.889 19.000 0.015 0.000 0.801 59 A HN 0.219 nan 8.150 nan 0.000 0.452 60 D N -0.576 119.852 120.400 0.046 0.000 2.350 60 D HA 0.109 4.747 4.640 -0.002 0.000 0.213 60 D C 1.757 178.145 176.300 0.146 0.000 1.031 60 D CA 0.095 54.185 54.000 0.151 0.000 0.861 60 D CB 0.016 40.905 40.800 0.148 0.000 0.926 60 D HN 0.421 nan 8.370 nan 0.000 0.520 61 L N 1.642 122.882 121.223 0.029 0.000 2.013 61 L HA -0.146 4.193 4.340 -0.002 0.000 0.212 61 L C -0.361 176.526 176.870 0.028 0.000 1.073 61 L CA 1.389 56.236 54.840 0.012 0.000 0.753 61 L CB -1.684 40.336 42.059 -0.065 0.000 0.890 61 L HN 0.102 nan 8.230 nan 0.000 0.432 62 P HA -0.195 nan 4.420 nan 0.000 0.217 62 P C 0.720 177.974 177.300 -0.077 0.000 1.151 62 P CA 1.708 64.798 63.100 -0.016 0.000 0.849 62 P CB -0.042 31.651 31.700 -0.010 0.000 0.787 63 N N -2.755 115.851 118.700 -0.156 0.000 2.197 63 N HA 0.055 4.794 4.740 -0.002 0.000 0.201 63 N C 0.387 175.489 175.510 -0.680 0.000 1.148 63 N CA 0.272 53.062 53.050 -0.433 0.000 0.883 63 N CB 0.439 38.557 38.487 -0.616 0.000 1.012 63 N HN 0.246 nan 8.380 nan 0.000 0.507 64 Y N 0.185 120.500 120.300 0.025 0.000 2.717 64 Y HA 0.314 4.862 4.550 -0.002 0.000 0.250 64 Y C 1.723 177.654 175.900 0.051 0.000 1.149 64 Y CA -0.646 57.473 58.100 0.032 0.000 1.211 64 Y CB 0.399 38.874 38.460 0.026 0.000 1.289 64 Y HN -0.185 nan 8.280 nan 0.000 0.552 65 K N 0.600 121.088 120.400 0.146 0.000 2.034 65 K HA -0.277 4.042 4.320 -0.002 0.000 0.214 65 K C 2.431 179.153 176.600 0.203 0.000 1.051 65 K CA 2.036 58.434 56.287 0.185 0.000 0.931 65 K CB -0.216 32.384 32.500 0.166 0.000 0.715 65 K HN 0.261 nan 8.250 nan 0.000 0.446 66 S N 0.592 116.374 115.700 0.136 0.000 2.359 66 S HA -0.244 4.225 4.470 -0.002 0.000 0.223 66 S C 1.964 176.635 174.600 0.118 0.000 1.039 66 S CA 2.225 60.489 58.200 0.107 0.000 1.042 66 S CB -0.382 62.859 63.200 0.068 0.000 0.915 66 S HN 0.421 nan 8.310 nan 0.000 0.439 67 K N 0.959 121.444 120.400 0.142 0.000 2.057 67 K HA 0.051 4.370 4.320 -0.002 0.000 0.207 67 K C 1.912 178.584 176.600 0.119 0.000 1.049 67 K CA 1.796 58.160 56.287 0.129 0.000 0.931 67 K CB -0.639 31.965 32.500 0.174 0.000 0.714 67 K HN 0.572 nan 8.250 nan 0.000 0.440 68 I N 0.371 121.036 120.570 0.158 0.000 2.252 68 I HA -0.258 3.911 4.170 -0.002 0.000 0.245 68 I C 2.103 178.347 176.117 0.211 0.000 1.102 68 I CA 0.989 62.387 61.300 0.162 0.000 1.385 68 I CB -0.220 37.884 38.000 0.173 0.000 1.064 68 I HN 0.130 nan 8.210 nan 0.000 0.414 69 L N 0.226 121.597 121.223 0.246 0.000 2.046 69 L HA -0.235 4.104 4.340 -0.002 0.000 0.208 69 L C 2.791 179.738 176.870 0.129 0.000 1.077 69 L CA 1.413 56.378 54.840 0.207 0.000 0.747 69 L CB -0.533 41.596 42.059 0.117 0.000 0.896 69 L HN 0.214 nan 8.230 nan 0.000 0.432 70 R N 0.371 120.918 120.500 0.079 0.000 2.070 70 R HA -0.157 4.182 4.340 -0.002 0.000 0.233 70 R C 2.375 178.684 176.300 0.015 0.000 1.137 70 R CA 1.362 57.480 56.100 0.029 0.000 0.945 70 R CB -0.234 30.080 30.300 0.024 0.000 0.845 70 R HN 0.246 nan 8.270 nan 0.000 0.430 71 L N 0.595 121.832 121.223 0.024 0.000 2.012 71 L HA -0.239 4.100 4.340 -0.002 0.000 0.210 71 L C 2.478 179.318 176.870 -0.050 0.000 1.073 71 L CA 1.358 56.188 54.840 -0.016 0.000 0.748 71 L CB -0.475 41.578 42.059 -0.009 0.000 0.891 71 L HN 0.307 nan 8.230 nan 0.000 0.431 72 L N -1.286 119.944 121.223 0.011 0.000 2.083 72 L HA -0.271 4.068 4.340 -0.002 0.000 0.209 72 L C 2.713 179.586 176.870 0.005 0.000 1.083 72 L CA 1.122 55.959 54.840 -0.004 0.000 0.752 72 L CB -0.599 41.501 42.059 0.068 0.000 0.899 72 L HN 0.427 nan 8.230 nan 0.000 0.433 73 C N -0.730 118.606 119.300 0.060 0.000 2.440 73 C HA -0.142 4.317 4.460 -0.002 0.000 0.278 73 C C 2.943 177.841 174.990 -0.155 0.000 1.295 73 C CA 1.340 60.306 59.018 -0.086 0.000 1.738 73 C CB -0.750 26.918 27.740 -0.121 0.000 1.987 73 C HN 0.532 nan 8.230 nan 0.000 0.492 74 T N 1.341 115.825 114.554 -0.116 0.000 2.708 74 T HA -0.170 4.179 4.350 -0.002 0.000 0.266 74 T C 1.794 176.398 174.700 -0.160 0.000 1.037 74 T CA 2.019 64.051 62.100 -0.113 0.000 1.146 74 T CB -0.440 68.380 68.868 -0.080 0.000 0.865 74 T HN 0.543 nan 8.240 nan 0.000 0.435 75 V N 0.601 120.364 119.914 -0.251 0.000 2.759 75 V HA 0.121 4.240 4.120 -0.002 0.000 0.256 75 V C 2.604 178.522 176.094 -0.294 0.000 1.080 75 V CA 1.141 63.230 62.300 -0.352 0.000 1.101 75 V CB -1.524 29.818 31.823 -0.801 0.000 0.698 75 V HN 0.418 nan 8.190 nan 0.000 0.477 76 A N 2.230 124.829 122.820 -0.367 0.000 1.933 76 A HA -0.151 4.168 4.320 -0.002 0.000 0.218 76 A C 2.459 179.937 177.584 -0.176 0.000 1.175 76 A CA 2.004 53.721 52.037 -0.534 0.000 0.628 76 A CB -0.427 17.985 19.000 -0.981 0.000 0.814 76 A HN 0.804 nan 8.150 nan 0.000 0.444 77 R N -1.300 119.139 120.500 -0.102 0.000 2.308 77 R HA 0.399 4.738 4.340 -0.002 0.000 0.202 77 R C 1.077 177.421 176.300 0.073 0.000 0.898 77 R CA 0.397 56.532 56.100 0.059 0.000 1.046 77 R CB -0.179 30.151 30.300 0.050 0.000 1.026 77 R HN 0.393 nan 8.270 nan 0.000 0.512 78 L N 0.033 121.245 121.223 -0.017 0.000 2.609 78 L HA 0.278 4.617 4.340 -0.002 0.000 0.230 78 L C 0.059 176.897 176.870 -0.053 0.000 1.087 78 L CA -0.063 54.765 54.840 -0.021 0.000 0.874 78 L CB 0.552 42.597 42.059 -0.024 0.000 1.114 78 L HN 0.105 nan 8.230 nan 0.000 0.488 79 L N 0.939 122.136 121.223 -0.043 0.000 2.960 79 L HA 0.274 4.613 4.340 -0.002 0.000 0.274 79 L C -1.390 175.504 176.870 0.041 0.000 1.327 79 L CA -1.321 53.532 54.840 0.022 0.000 0.860 79 L CB 0.320 42.457 42.059 0.130 0.000 1.239 79 L HN -0.172 nan 8.230 nan 0.000 0.551 80 P HA -0.218 nan 4.420 nan 0.000 0.221 80 P C 0.937 178.247 177.300 0.016 0.000 1.145 80 P CA 1.197 64.209 63.100 -0.147 0.000 0.795 80 P CB 0.291 31.584 31.700 -0.678 0.000 0.775 81 E N 1.260 121.492 120.200 0.053 0.000 2.338 81 E HA -0.152 4.197 4.350 -0.002 0.000 0.197 81 E C 1.048 177.762 176.600 0.189 0.000 1.007 81 E CA 0.977 57.472 56.400 0.159 0.000 0.849 81 E CB -0.494 29.311 29.700 0.175 0.000 0.774 81 E HN 0.327 nan 8.360 nan 0.000 0.506 82 K N 0.531 121.044 120.400 0.188 0.000 2.514 82 K HA 0.152 4.471 4.320 -0.002 0.000 0.207 82 K C 1.393 178.107 176.600 0.191 0.000 1.035 82 K CA -0.273 56.110 56.287 0.159 0.000 1.113 82 K CB 0.266 32.868 32.500 0.170 0.000 0.846 82 K HN -0.049 nan 8.250 nan 0.000 0.491 83 L N 1.766 123.113 121.223 0.206 0.000 2.011 83 L HA -0.323 4.016 4.340 -0.002 0.000 0.225 83 L C 2.179 179.093 176.870 0.074 0.000 1.084 83 L CA 2.606 57.546 54.840 0.166 0.000 0.791 83 L CB -1.026 41.021 42.059 -0.019 0.000 0.898 83 L HN 0.364 nan 8.230 nan 0.000 0.440 84 T N -3.153 111.459 114.554 0.096 0.000 3.035 84 T HA -0.055 4.293 4.350 -0.002 0.000 0.268 84 T C 1.947 176.662 174.700 0.025 0.000 1.109 84 T CA 0.964 63.128 62.100 0.106 0.000 1.119 84 T CB -0.553 68.391 68.868 0.126 0.000 0.900 84 T HN 0.299 nan 8.240 nan 0.000 0.503 85 I N 0.335 120.865 120.570 -0.066 0.000 2.193 85 I HA -0.017 4.152 4.170 -0.002 0.000 0.240 85 I C 2.221 178.214 176.117 -0.206 0.000 1.084 85 I CA 1.277 62.452 61.300 -0.208 0.000 1.365 85 I CB -1.217 36.519 38.000 -0.440 0.000 1.064 85 I HN 0.208 nan 8.210 nan 0.000 0.410 86 Y N 1.639 121.996 120.300 0.094 0.000 2.314 86 Y HA -0.145 4.404 4.550 -0.001 0.000 0.293 86 Y C 2.897 178.836 175.900 0.064 0.000 1.129 86 Y CA 1.471 59.660 58.100 0.148 0.000 1.201 86 Y CB -1.370 37.300 38.460 0.350 0.000 0.999 86 Y HN 0.297 nan 8.280 nan 0.000 0.541 87 T N -3.770 110.752 114.554 -0.055 0.000 2.746 87 T HA -0.174 4.175 4.350 -0.002 0.000 0.267 87 T C 1.881 176.546 174.700 -0.058 0.000 1.039 87 T CA 1.831 63.756 62.100 -0.290 0.000 1.142 87 T CB -0.966 67.662 68.868 -0.399 0.000 0.866 87 T HN 0.245 nan 8.240 nan 0.000 0.444 88 T N 2.516 117.097 114.554 0.046 0.000 2.708 88 T HA 0.003 4.352 4.350 -0.002 0.000 0.266 88 T C 1.821 176.475 174.700 -0.078 0.000 1.037 88 T CA 1.285 63.408 62.100 0.037 0.000 1.146 88 T CB -0.631 68.271 68.868 0.057 0.000 0.865 88 T HN 0.241 nan 8.240 nan 0.000 0.435 89 L N 1.537 122.733 121.223 -0.046 0.000 2.043 89 L HA -0.086 4.253 4.340 -0.002 0.000 0.212 89 L C 2.387 179.235 176.870 -0.036 0.000 1.075 89 L CA 1.598 56.411 54.840 -0.045 0.000 0.752 89 L CB -0.751 41.343 42.059 0.059 0.000 0.891 89 L HN 0.100 nan 8.230 nan 0.000 0.432 90 V N -0.031 119.869 119.914 -0.023 0.000 2.427 90 V HA -0.162 3.957 4.120 -0.002 0.000 0.248 90 V C 2.618 178.696 176.094 -0.027 0.000 1.051 90 V CA 1.558 63.810 62.300 -0.080 0.000 1.048 90 V CB -1.602 30.078 31.823 -0.239 0.000 0.666 90 V HN 0.638 nan 8.190 nan 0.000 0.456 91 G N 0.193 108.971 108.800 -0.035 0.000 2.421 91 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.216 91 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.216 91 G C 1.564 176.456 174.900 -0.014 0.000 1.171 91 G CA 1.012 46.106 45.100 -0.010 0.000 0.775 91 G HN 0.464 nan 8.290 nan 0.000 0.543 92 L N -0.370 120.797 121.223 -0.093 0.000 2.046 92 L HA -0.062 4.277 4.340 -0.002 0.000 0.208 92 L C 2.796 179.646 176.870 -0.034 0.000 1.077 92 L CA 0.363 55.135 54.840 -0.112 0.000 0.747 92 L CB -0.523 41.395 42.059 -0.234 0.000 0.896 92 L HN 0.118 nan 8.230 nan 0.000 0.432 93 L N 0.098 121.311 121.223 -0.017 0.000 2.083 93 L HA -0.207 4.132 4.340 -0.002 0.000 0.209 93 L C 2.265 179.209 176.870 0.123 0.000 1.083 93 L CA 1.632 56.475 54.840 0.006 0.000 0.752 93 L CB -1.148 40.920 42.059 0.016 0.000 0.899 93 L HN 0.324 nan 8.230 nan 0.000 0.433 94 N N -0.276 118.523 118.700 0.164 0.000 2.142 94 N HA -0.133 4.606 4.740 -0.002 0.000 0.186 94 N C 1.835 177.466 175.510 0.201 0.000 1.023 94 N CA 1.310 54.489 53.050 0.215 0.000 0.852 94 N CB -0.092 38.512 38.487 0.194 0.000 0.998 94 N HN 0.276 nan 8.380 nan 0.000 0.424 95 A N 0.436 123.337 122.820 0.134 0.000 1.978 95 A HA -0.111 4.208 4.320 -0.002 0.000 0.220 95 A C 2.174 179.818 177.584 0.101 0.000 1.170 95 A CA 1.261 53.365 52.037 0.112 0.000 0.636 95 A CB -0.379 18.661 19.000 0.066 0.000 0.810 95 A HN 0.381 nan 8.150 nan 0.000 0.448 96 R N -1.505 119.045 120.500 0.082 0.000 2.112 96 R HA 0.073 4.412 4.340 -0.002 0.000 0.216 96 R C 0.232 176.585 176.300 0.089 0.000 1.080 96 R CA 0.809 56.946 56.100 0.061 0.000 0.996 96 R CB 0.090 30.400 30.300 0.016 0.000 0.902 96 R HN 0.402 nan 8.270 nan 0.000 0.449 97 N N -0.001 118.777 118.700 0.131 0.000 2.648 97 N HA -0.023 4.716 4.740 -0.002 0.000 0.261 97 N C -0.304 175.376 175.510 0.284 0.000 1.138 97 N CA -0.178 52.979 53.050 0.178 0.000 0.804 97 N CB 0.724 39.283 38.487 0.120 0.000 1.237 97 N HN 0.007 nan 8.380 nan 0.000 0.532 98 Y N 4.177 124.580 120.300 0.171 0.000 2.114 98 Y HA -0.193 4.355 4.550 -0.002 0.000 0.282 98 Y C 1.540 177.612 175.900 0.287 0.000 1.165 98 Y CA 2.250 60.487 58.100 0.227 0.000 1.148 98 Y CB -0.140 38.398 38.460 0.130 0.000 0.972 98 Y HN 0.597 nan 8.280 nan 0.000 0.504 99 N N -1.045 117.816 118.700 0.269 0.000 2.272 99 N HA -0.232 4.507 4.740 -0.002 0.000 0.185 99 N C 1.616 177.186 175.510 0.100 0.000 1.014 99 N CA 1.016 54.161 53.050 0.159 0.000 0.870 99 N CB -0.396 38.201 38.487 0.183 0.000 0.975 99 N HN 0.375 nan 8.380 nan 0.000 0.433 100 F N 1.314 121.272 119.950 0.013 0.000 2.098 100 F HA 0.076 4.602 4.527 -0.002 0.000 0.294 100 F C 2.318 178.094 175.800 -0.039 0.000 1.107 100 F CA 1.375 59.377 58.000 0.003 0.000 1.234 100 F CB -0.844 38.169 39.000 0.021 0.000 1.002 100 F HN -0.109 nan 8.300 nan 0.000 0.472 101 G N -0.245 108.511 108.800 -0.073 0.000 2.469 101 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.220 101 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.220 101 G C 1.890 176.414 174.900 -0.626 0.000 1.136 101 G CA 0.815 45.755 45.100 -0.268 0.000 0.759 101 G HN 0.647 nan 8.290 nan 0.000 0.562 102 G N 0.293 108.619 108.800 -0.790 0.000 2.408 102 G HA2 -0.075 3.884 3.960 -0.002 0.000 0.217 102 G HA3 -0.075 3.884 3.960 -0.002 0.000 0.217 102 G C 1.608 176.282 174.900 -0.376 0.000 1.150 102 G CA 0.949 45.600 45.100 -0.749 0.000 0.776 102 G HN 0.524 nan 8.290 nan 0.000 0.542 103 E N -0.637 119.387 120.200 -0.293 0.000 2.152 103 E HA -0.029 4.320 4.350 -0.002 0.000 0.192 103 E C 1.954 178.389 176.600 -0.275 0.000 0.983 103 E CA 0.367 56.631 56.400 -0.227 0.000 0.818 103 E CB -0.139 29.464 29.700 -0.162 0.000 0.758 103 E HN 0.472 nan 8.360 nan 0.000 0.467 104 F N 0.863 120.498 119.950 -0.525 0.000 2.128 104 F HA -0.169 4.357 4.527 -0.002 0.000 0.295 104 F C 2.046 177.676 175.800 -0.284 0.000 1.100 104 F CA 0.943 58.669 58.000 -0.456 0.000 1.260 104 F CB -0.366 38.299 39.000 -0.558 0.000 1.009 104 F HN -0.223 nan 8.300 nan 0.000 0.476 105 V N 0.757 120.463 119.914 -0.346 0.000 2.332 105 V HA -0.333 3.786 4.120 -0.002 0.000 0.248 105 V C 2.441 178.341 176.094 -0.323 0.000 1.055 105 V CA 2.370 64.466 62.300 -0.340 0.000 1.038 105 V CB -0.764 30.930 31.823 -0.215 0.000 0.651 105 V HN 0.475 nan 8.190 nan 0.000 0.450 106 E N 0.022 120.063 120.200 -0.265 0.000 2.110 106 E HA -0.218 4.131 4.350 -0.002 0.000 0.193 106 E C 2.183 178.659 176.600 -0.208 0.000 0.988 106 E CA 1.313 57.601 56.400 -0.186 0.000 0.804 106 E CB -0.220 29.394 29.700 -0.143 0.000 0.745 106 E HN 0.586 nan 8.360 nan 0.000 0.458 107 A N 0.602 123.250 122.820 -0.286 0.000 2.015 107 A HA -0.130 4.189 4.320 -0.002 0.000 0.219 107 A C 2.113 179.502 177.584 -0.325 0.000 1.163 107 A CA 1.050 52.923 52.037 -0.273 0.000 0.646 107 A CB -0.270 18.563 19.000 -0.278 0.000 0.806 107 A HN 0.263 nan 8.150 nan 0.000 0.448 108 M N -0.891 118.423 119.600 -0.477 0.000 2.099 108 M HA -0.046 4.433 4.480 -0.002 0.000 0.262 108 M C 2.031 178.211 176.300 -0.200 0.000 1.067 108 M CA 1.303 56.348 55.300 -0.424 0.000 1.124 108 M CB -1.072 31.198 32.600 -0.551 0.000 1.353 108 M HN 0.336 nan 8.290 nan 0.000 0.410 109 I N 0.059 120.543 120.570 -0.142 0.000 2.286 109 I HA -0.249 3.920 4.170 -0.002 0.000 0.248 109 I C 2.552 178.671 176.117 0.003 0.000 1.115 109 I CA 1.329 62.620 61.300 -0.015 0.000 1.392 109 I CB -0.586 37.428 38.000 0.023 0.000 1.065 109 I HN 0.254 nan 8.210 nan 0.000 0.418 110 R N -0.413 120.054 120.500 -0.055 0.000 2.075 110 R HA -0.213 4.126 4.340 -0.002 0.000 0.232 110 R C 2.249 178.523 176.300 -0.044 0.000 1.126 110 R CA 1.369 57.443 56.100 -0.044 0.000 0.963 110 R CB -0.383 29.877 30.300 -0.066 0.000 0.858 110 R HN 0.324 nan 8.270 nan 0.000 0.435 111 Q N 1.211 120.965 119.800 -0.076 0.000 2.020 111 Q HA -0.169 4.170 4.340 -0.002 0.000 0.202 111 Q C 1.963 177.940 176.000 -0.038 0.000 0.982 111 Q CA 1.446 57.205 55.803 -0.073 0.000 0.838 111 Q CB -0.456 28.215 28.738 -0.113 0.000 0.899 111 Q HN 0.216 nan 8.270 nan 0.000 0.423 112 L N 0.616 121.836 121.223 -0.006 0.000 2.081 112 L HA -0.198 4.141 4.340 -0.002 0.000 0.212 112 L C 1.781 178.701 176.870 0.082 0.000 1.080 112 L CA 1.990 56.866 54.840 0.060 0.000 0.754 112 L CB -0.432 41.702 42.059 0.125 0.000 0.893 112 L HN 0.164 nan 8.230 nan 0.000 0.433 113 K N -0.856 119.596 120.400 0.086 0.000 2.103 113 K HA -0.155 4.164 4.320 -0.002 0.000 0.204 113 K C 2.038 178.626 176.600 -0.020 0.000 1.052 113 K CA 1.281 57.606 56.287 0.063 0.000 0.945 113 K CB -0.038 32.488 32.500 0.043 0.000 0.722 113 K HN 0.251 nan 8.250 nan 0.000 0.443 114 E N 0.719 120.896 120.200 -0.039 0.000 2.072 114 E HA -0.086 4.263 4.350 -0.002 0.000 0.191 114 E C 1.969 178.506 176.600 -0.105 0.000 0.985 114 E CA 1.172 57.532 56.400 -0.067 0.000 0.801 114 E CB -0.046 29.619 29.700 -0.060 0.000 0.750 114 E HN 0.072 nan 8.360 nan 0.000 0.452 115 S N 0.015 115.647 115.700 -0.114 0.000 2.368 115 S HA -0.073 4.395 4.470 -0.002 0.000 0.224 115 S C 1.925 176.329 174.600 -0.327 0.000 1.029 115 S CA 0.770 58.863 58.200 -0.178 0.000 0.988 115 S CB -0.223 62.893 63.200 -0.139 0.000 0.838 115 S HN 0.192 nan 8.310 nan 0.000 0.462 116 L N 1.421 122.448 121.223 -0.328 0.000 2.083 116 L HA -0.103 4.236 4.340 -0.002 0.000 0.209 116 L C 2.547 179.168 176.870 -0.415 0.000 1.083 116 L CA 1.216 55.731 54.840 -0.542 0.000 0.752 116 L CB -0.427 41.495 42.059 -0.229 0.000 0.899 116 L HN 0.272 nan 8.230 nan 0.000 0.433 117 K N 0.754 121.020 120.400 -0.222 0.000 2.147 117 K HA -0.131 4.188 4.320 -0.002 0.000 0.205 117 K C 1.617 178.110 176.600 -0.178 0.000 1.049 117 K CA 1.314 57.508 56.287 -0.156 0.000 0.936 117 K CB 0.001 32.440 32.500 -0.102 0.000 0.722 117 K HN 0.281 nan 8.250 nan 0.000 0.446 118 A N 1.061 123.758 122.820 -0.205 0.000 2.370 118 A HA 0.106 4.425 4.320 -0.002 0.000 0.238 118 A C -0.150 177.298 177.584 -0.227 0.000 1.289 118 A CA -0.072 51.858 52.037 -0.178 0.000 0.885 118 A CB -0.211 18.706 19.000 -0.139 0.000 0.961 118 A HN 0.539 nan 8.150 nan 0.000 0.499 119 N N 0.220 118.713 118.700 -0.344 0.000 2.708 119 N HA -0.138 4.601 4.740 -0.002 0.000 0.251 119 N C -0.658 174.625 175.510 -0.377 0.000 1.123 119 N CA 0.956 53.784 53.050 -0.371 0.000 0.739 119 N CB -1.505 36.888 38.487 -0.156 0.000 1.113 119 N HN 0.604 nan 8.380 nan 0.000 0.561 120 N N 0.705 119.142 118.700 -0.439 0.000 3.303 120 N HA 0.090 4.829 4.740 -0.002 0.000 0.304 120 N C 0.861 176.136 175.510 -0.391 0.000 1.302 120 N CA -0.103 52.771 53.050 -0.293 0.000 1.213 120 N CB -0.257 38.118 38.487 -0.186 0.000 1.481 120 N HN 0.350 nan 8.380 nan 0.000 0.546 121 Y N 0.795 120.871 120.300 -0.373 0.000 2.274 121 Y HA -0.098 4.451 4.550 -0.002 0.000 0.290 121 Y C 2.000 177.803 175.900 -0.162 0.000 1.145 121 Y CA 0.949 58.675 58.100 -0.623 0.000 1.203 121 Y CB -0.016 37.800 38.460 -1.074 0.000 0.984 121 Y HN 0.313 nan 8.280 nan 0.000 0.533 122 N N 0.066 118.781 118.700 0.025 0.000 2.188 122 N HA -0.162 4.577 4.740 -0.002 0.000 0.184 122 N C 1.662 177.044 175.510 -0.213 0.000 1.018 122 N CA 1.257 54.311 53.050 0.006 0.000 0.858 122 N CB -0.251 38.239 38.487 0.004 0.000 0.989 122 N HN 0.521 nan 8.380 nan 0.000 0.426 123 E N 0.690 120.835 120.200 -0.091 0.000 2.112 123 E HA 0.043 4.392 4.350 -0.002 0.000 0.190 123 E C 1.927 178.529 176.600 0.005 0.000 0.979 123 E CA 0.531 56.924 56.400 -0.011 0.000 0.814 123 E CB 0.048 29.779 29.700 0.052 0.000 0.762 123 E HN 0.297 nan 8.360 nan 0.000 0.460 124 A N 0.575 123.416 122.820 0.035 0.000 1.940 124 A HA -0.175 4.144 4.320 -0.002 0.000 0.219 124 A C 2.378 180.146 177.584 0.306 0.000 1.176 124 A CA 1.279 53.421 52.037 0.174 0.000 0.631 124 A CB -0.674 18.421 19.000 0.159 0.000 0.814 124 A HN 0.157 nan 8.150 nan 0.000 0.446 125 V N -1.034 119.069 119.914 0.316 0.000 2.287 125 V HA -0.319 3.800 4.120 -0.002 0.000 0.248 125 V C 2.422 178.598 176.094 0.137 0.000 1.053 125 V CA 2.150 64.565 62.300 0.192 0.000 1.027 125 V CB -1.251 30.641 31.823 0.114 0.000 0.646 125 V HN 0.664 nan 8.190 nan 0.000 0.447 126 Y N -0.026 120.398 120.300 0.207 0.000 2.224 126 Y HA -0.125 4.424 4.550 -0.002 0.000 0.289 126 Y C 2.285 178.271 175.900 0.144 0.000 1.146 126 Y CA 0.742 58.926 58.100 0.139 0.000 1.182 126 Y CB -1.043 37.492 38.460 0.123 0.000 0.983 126 Y HN 0.158 nan 8.280 nan 0.000 0.524 127 L N -1.225 120.155 121.223 0.260 0.000 2.046 127 L HA -0.187 4.152 4.340 -0.002 0.000 0.208 127 L C 2.313 179.295 176.870 0.188 0.000 1.077 127 L CA 0.891 55.834 54.840 0.171 0.000 0.747 127 L CB -0.822 41.296 42.059 0.097 0.000 0.896 127 L HN 0.063 nan 8.230 nan 0.000 0.432 128 V N -0.181 119.848 119.914 0.190 0.000 2.407 128 V HA -0.259 3.860 4.120 -0.002 0.000 0.248 128 V C 2.599 178.771 176.094 0.130 0.000 1.055 128 V CA 1.677 64.066 62.300 0.148 0.000 1.049 128 V CB -0.618 31.343 31.823 0.230 0.000 0.662 128 V HN 0.405 nan 8.190 nan 0.000 0.455 129 R N -1.286 119.295 120.500 0.135 0.000 2.092 129 R HA -0.114 4.225 4.340 -0.002 0.000 0.231 129 R C 2.223 178.526 176.300 0.005 0.000 1.119 129 R CA 1.586 57.698 56.100 0.020 0.000 0.970 129 R CB -0.413 29.797 30.300 -0.151 0.000 0.864 129 R HN 0.487 nan 8.270 nan 0.000 0.440 130 F N 1.443 121.379 119.950 -0.023 0.000 2.102 130 F HA -0.164 4.362 4.527 -0.002 0.000 0.298 130 F C 1.970 177.784 175.800 0.023 0.000 1.105 130 F CA 1.438 59.446 58.000 0.014 0.000 1.239 130 F CB -0.108 38.940 39.000 0.080 0.000 0.991 130 F HN -0.093 nan 8.300 nan 0.000 0.474 131 L N -1.026 120.336 121.223 0.233 0.000 2.083 131 L HA -0.244 4.095 4.340 -0.002 0.000 0.209 131 L C 2.475 179.332 176.870 -0.021 0.000 1.083 131 L CA 1.286 56.180 54.840 0.091 0.000 0.752 131 L CB -0.863 41.192 42.059 -0.006 0.000 0.899 131 L HN 0.086 nan 8.230 nan 0.000 0.433 132 S N -0.285 115.405 115.700 -0.017 0.000 2.348 132 S HA -0.237 4.232 4.470 -0.002 0.000 0.221 132 S C 1.614 176.208 174.600 -0.010 0.000 1.033 132 S CA 1.688 59.893 58.200 0.008 0.000 1.010 132 S CB -0.312 62.977 63.200 0.148 0.000 0.891 132 S HN 0.437 nan 8.310 nan 0.000 0.442 133 D N 0.999 121.371 120.400 -0.048 0.000 2.263 133 D HA -0.002 4.637 4.640 -0.002 0.000 0.208 133 D C 1.582 177.761 176.300 -0.202 0.000 0.971 133 D CA 0.487 54.442 54.000 -0.074 0.000 0.867 133 D CB -0.209 40.526 40.800 -0.109 0.000 0.929 133 D HN 0.273 nan 8.370 nan 0.000 0.492 134 L N -0.534 120.578 121.223 -0.186 0.000 2.456 134 L HA -0.079 4.260 4.340 -0.002 0.000 0.224 134 L C 2.026 178.808 176.870 -0.147 0.000 1.148 134 L CA 0.085 54.830 54.840 -0.159 0.000 0.825 134 L CB 0.058 42.103 42.059 -0.023 0.000 0.937 134 L HN 0.060 nan 8.230 nan 0.000 0.450 135 V N -0.330 119.495 119.914 -0.148 0.000 2.379 135 V HA -0.208 3.911 4.120 -0.002 0.000 0.245 135 V C 2.013 177.945 176.094 -0.270 0.000 1.044 135 V CA 1.457 63.659 62.300 -0.164 0.000 1.036 135 V CB -0.510 31.242 31.823 -0.119 0.000 0.664 135 V HN 0.537 nan 8.190 nan 0.000 0.453 136 N N -0.368 118.147 118.700 -0.308 0.000 2.453 136 N HA -0.117 4.622 4.740 -0.002 0.000 0.183 136 N C 1.392 176.576 175.510 -0.544 0.000 1.041 136 N CA 1.422 54.216 53.050 -0.426 0.000 0.900 136 N CB -0.260 37.934 38.487 -0.487 0.000 0.961 136 N HN 0.441 nan 8.380 nan 0.000 0.443 137 C N 0.031 119.050 119.300 -0.469 0.000 2.673 137 C HA 0.182 4.641 4.460 -0.002 0.000 0.274 137 C C 0.589 175.602 174.990 0.038 0.000 1.276 137 C CA -0.479 58.392 59.018 -0.246 0.000 1.701 137 C CB -1.686 25.915 27.740 -0.232 0.000 1.836 137 C HN 0.505 nan 8.230 nan 0.000 0.596 138 H N -1.330 117.687 119.070 -0.089 0.000 2.862 138 H HA -0.148 4.407 4.556 -0.002 0.000 0.290 138 H C 1.025 176.376 175.328 0.037 0.000 1.211 138 H CA 0.924 56.964 56.048 -0.014 0.000 1.140 138 H CB -1.342 28.425 29.762 0.008 0.000 1.341 138 H HN 0.426 nan 8.280 nan 0.000 0.392 139 V N -0.356 119.613 119.914 0.091 0.000 3.085 139 V HA 0.136 4.255 4.120 -0.002 0.000 0.245 139 V C 1.350 177.545 176.094 0.169 0.000 1.114 139 V CA 1.099 63.494 62.300 0.158 0.000 1.108 139 V CB 0.798 32.689 31.823 0.113 0.000 0.798 139 V HN 0.159 nan 8.190 nan 0.000 0.471 140 I N 0.566 121.175 120.570 0.064 0.000 2.465 140 I HA 0.609 4.778 4.170 -0.002 0.000 0.291 140 I C 0.084 176.194 176.117 -0.011 0.000 1.014 140 I CA -0.729 60.597 61.300 0.043 0.000 1.093 140 I CB 1.802 39.803 38.000 0.001 0.000 1.267 140 I HN 0.096 nan 8.210 nan 0.000 0.431 141 A N 4.401 127.224 122.820 0.004 0.000 2.454 141 A HA 0.496 4.815 4.320 -0.002 0.000 0.260 141 A C 1.324 178.877 177.584 -0.052 0.000 1.106 141 A CA 0.366 52.389 52.037 -0.023 0.000 0.780 141 A CB 0.593 19.593 19.000 -0.000 0.000 1.044 141 A HN 1.003 nan 8.150 nan 0.000 0.498 142 A N 4.926 127.704 122.820 -0.070 0.000 1.896 142 A HA -0.149 4.170 4.320 -0.002 0.000 0.220 142 A C -0.038 177.509 177.584 -0.062 0.000 1.206 142 A CA 2.351 54.345 52.037 -0.072 0.000 0.647 142 A CB -1.815 17.140 19.000 -0.074 0.000 0.828 142 A HN 0.634 nan 8.150 nan 0.000 0.455 143 P HA -0.215 nan 4.420 nan 0.000 0.216 143 P C 1.959 179.230 177.300 -0.049 0.000 1.157 143 P CA 2.392 65.467 63.100 -0.042 0.000 0.880 143 P CB -0.285 31.397 31.700 -0.030 0.000 0.791 144 S N -2.084 113.586 115.700 -0.050 0.000 2.399 144 S HA -0.138 4.331 4.470 -0.002 0.000 0.231 144 S C 1.931 176.457 174.600 -0.124 0.000 1.022 144 S CA 1.175 59.340 58.200 -0.059 0.000 0.983 144 S CB -1.114 62.064 63.200 -0.036 0.000 0.803 144 S HN -0.046 nan 8.310 nan 0.000 0.480 145 M N 1.410 120.912 119.600 -0.164 0.000 2.254 145 M HA 0.116 4.594 4.480 -0.002 0.000 0.265 145 M C 2.185 178.293 176.300 -0.320 0.000 1.066 145 M CA 0.776 55.883 55.300 -0.321 0.000 1.123 145 M CB -1.176 31.253 32.600 -0.285 0.000 1.388 145 M HN 0.270 nan 8.290 nan 0.000 0.425 146 V N 0.222 120.069 119.914 -0.113 0.000 2.427 146 V HA -0.212 3.907 4.120 -0.002 0.000 0.248 146 V C 2.599 178.676 176.094 -0.030 0.000 1.051 146 V CA 1.708 64.006 62.300 -0.004 0.000 1.048 146 V CB -1.319 30.507 31.823 0.005 0.000 0.666 146 V HN 0.474 nan 8.190 nan 0.000 0.456 147 A N -0.608 122.179 122.820 -0.056 0.000 1.930 147 A HA -0.232 4.087 4.320 -0.002 0.000 0.217 147 A C 2.261 179.829 177.584 -0.027 0.000 1.175 147 A CA 2.186 54.208 52.037 -0.025 0.000 0.627 147 A CB -0.463 18.529 19.000 -0.014 0.000 0.815 147 A HN 0.520 nan 8.150 nan 0.000 0.443 148 M N -1.669 117.850 119.600 -0.135 0.000 2.099 148 M HA -0.086 4.393 4.480 -0.002 0.000 0.262 148 M C 1.664 177.834 176.300 -0.217 0.000 1.067 148 M CA 1.834 57.018 55.300 -0.193 0.000 1.124 148 M CB -0.209 32.106 32.600 -0.475 0.000 1.353 148 M HN 0.333 nan 8.290 nan 0.000 0.410 149 F N 1.321 121.084 119.950 -0.312 0.000 2.216 149 F HA -0.159 4.367 4.527 -0.002 0.000 0.300 149 F C 2.239 177.900 175.800 -0.231 0.000 1.085 149 F CA 1.346 59.121 58.000 -0.375 0.000 1.326 149 F CB -0.931 37.862 39.000 -0.346 0.000 1.027 149 F HN 0.311 nan 8.300 nan 0.000 0.497 150 E N -0.205 120.018 120.200 0.040 0.000 2.110 150 E HA -0.187 4.162 4.350 -0.002 0.000 0.193 150 E C 1.899 178.543 176.600 0.073 0.000 0.988 150 E CA 1.080 57.488 56.400 0.014 0.000 0.804 150 E CB -0.209 29.499 29.700 0.014 0.000 0.745 150 E HN 0.373 nan 8.360 nan 0.000 0.458 151 N N 0.300 119.094 118.700 0.156 0.000 2.188 151 N HA -0.108 4.630 4.740 -0.002 0.000 0.184 151 N C 1.596 177.263 175.510 0.262 0.000 1.018 151 N CA 0.798 53.971 53.050 0.205 0.000 0.858 151 N CB -0.279 38.395 38.487 0.312 0.000 0.989 151 N HN 0.068 nan 8.380 nan 0.000 0.426 152 F N 1.554 121.562 119.950 0.096 0.000 2.046 152 F HA -0.114 4.412 4.527 -0.002 0.000 0.297 152 F C 2.431 178.227 175.800 -0.006 0.000 1.123 152 F CA 0.694 58.775 58.000 0.134 0.000 1.199 152 F CB -0.976 38.210 39.000 0.310 0.000 0.972 152 F HN -0.203 nan 8.300 nan 0.000 0.474 153 V N 0.024 120.021 119.914 0.139 0.000 2.867 153 V HA -0.232 3.887 4.120 -0.002 0.000 0.260 153 V C 2.344 178.395 176.094 -0.071 0.000 1.099 153 V CA 1.676 63.960 62.300 -0.027 0.000 1.122 153 V CB -1.189 30.559 31.823 -0.126 0.000 0.708 153 V HN 0.508 nan 8.190 nan 0.000 0.490 154 S N -0.462 115.213 115.700 -0.042 0.000 2.474 154 S HA -0.103 4.366 4.470 -0.002 0.000 0.235 154 S C 1.825 176.353 174.600 -0.120 0.000 0.997 154 S CA 1.225 59.387 58.200 -0.064 0.000 0.949 154 S CB -0.244 62.938 63.200 -0.030 0.000 0.766 154 S HN 0.350 nan 8.310 nan 0.000 0.517 155 V N 3.039 122.844 119.914 -0.182 0.000 2.594 155 V HA -0.133 3.986 4.120 -0.002 0.000 0.253 155 V C 3.001 178.956 176.094 -0.232 0.000 1.069 155 V CA 1.935 64.087 62.300 -0.247 0.000 1.082 155 V CB -1.628 29.952 31.823 -0.405 0.000 0.680 155 V HN 0.898 nan 8.190 nan 0.000 0.469 156 T N -2.408 111.973 114.554 -0.289 0.000 3.098 156 T HA -0.133 4.216 4.350 -0.002 0.000 0.266 156 T C 1.488 176.080 174.700 -0.179 0.000 1.145 156 T CA 0.776 62.628 62.100 -0.414 0.000 1.092 156 T CB -0.136 68.341 68.868 -0.652 0.000 0.908 156 T HN 0.475 nan 8.240 nan 0.000 0.526 157 Q N 0.578 120.304 119.800 -0.124 0.000 2.319 157 Q HA 0.265 4.604 4.340 -0.002 0.000 0.209 157 Q C 0.367 176.330 176.000 -0.060 0.000 0.884 157 Q CA 0.108 55.872 55.803 -0.065 0.000 0.938 157 Q CB 0.370 29.078 28.738 -0.049 0.000 1.098 157 Q HN 0.721 nan 8.270 nan 0.000 0.517 158 E N 1.857 122.007 120.200 -0.085 0.000 2.413 158 E HA 0.011 4.360 4.350 -0.002 0.000 0.263 158 E C -0.316 176.253 176.600 -0.053 0.000 1.015 158 E CA 0.253 56.612 56.400 -0.068 0.000 0.916 158 E CB 0.632 30.281 29.700 -0.086 0.000 0.947 158 E HN 0.097 nan 8.360 nan 0.000 0.440 159 E N 1.613 121.793 120.200 -0.034 0.000 2.231 159 E HA 0.038 4.387 4.350 -0.002 0.000 0.277 159 E C -1.007 175.579 176.600 -0.023 0.000 0.999 159 E CA -0.488 55.897 56.400 -0.024 0.000 0.827 159 E CB 0.632 30.324 29.700 -0.013 0.000 1.101 159 E HN 0.365 nan 8.360 nan 0.000 0.393 160 D N 1.013 121.397 120.400 -0.026 0.000 2.705 160 D HA -0.170 4.469 4.640 -0.002 0.000 0.240 160 D C -0.996 175.271 176.300 -0.054 0.000 1.137 160 D CA 1.170 55.156 54.000 -0.025 0.000 0.677 160 D CB -0.954 39.849 40.800 0.004 0.000 1.049 160 D HN 0.231 nan 8.370 nan 0.000 0.427 161 V N -3.880 115.960 119.914 -0.124 0.000 3.001 161 V HA 0.884 5.003 4.120 -0.002 0.000 0.314 161 V C -2.360 173.564 176.094 -0.283 0.000 1.099 161 V CA -2.227 59.901 62.300 -0.287 0.000 0.989 161 V CB 2.022 33.652 31.823 -0.320 0.000 1.040 161 V HN -0.186 nan 8.190 nan 0.000 0.434 162 P HA 0.177 nan 4.420 nan 0.000 0.268 162 P C 0.514 177.659 177.300 -0.259 0.000 1.205 162 P CA 0.025 62.957 63.100 -0.281 0.000 0.771 162 P CB 0.615 32.153 31.700 -0.270 0.000 0.858 163 Q N 2.556 122.261 119.800 -0.157 0.000 2.181 163 Q HA -0.156 4.183 4.340 -0.002 0.000 0.205 163 Q C 1.392 177.326 176.000 -0.111 0.000 0.980 163 Q CA 1.819 57.576 55.803 -0.078 0.000 0.862 163 Q CB -0.301 28.407 28.738 -0.050 0.000 0.905 163 Q HN 0.374 nan 8.270 nan 0.000 0.429 164 V N -1.168 118.631 119.914 -0.192 0.000 2.759 164 V HA -0.180 3.939 4.120 -0.002 0.000 0.256 164 V C 2.320 178.203 176.094 -0.352 0.000 1.080 164 V CA 2.001 64.185 62.300 -0.194 0.000 1.101 164 V CB -0.936 30.794 31.823 -0.155 0.000 0.698 164 V HN 0.340 nan 8.190 nan 0.000 0.477 165 R N 0.638 120.722 120.500 -0.693 0.000 2.075 165 R HA -0.010 4.329 4.340 -0.002 0.000 0.226 165 R C 2.578 178.706 176.300 -0.286 0.000 1.114 165 R CA 1.076 56.553 56.100 -1.037 0.000 0.972 165 R CB -0.143 29.323 30.300 -1.389 0.000 0.869 165 R HN 0.459 nan 8.270 nan 0.000 0.437 166 R N 0.527 120.899 120.500 -0.213 0.000 2.075 166 R HA -0.084 4.255 4.340 -0.002 0.000 0.232 166 R C 1.857 178.120 176.300 -0.062 0.000 1.126 166 R CA 1.628 57.628 56.100 -0.167 0.000 0.963 166 R CB -0.320 29.802 30.300 -0.297 0.000 0.858 166 R HN 0.249 nan 8.270 nan 0.000 0.435 167 D N -0.044 120.382 120.400 0.043 0.000 2.116 167 D HA -0.223 4.416 4.640 -0.002 0.000 0.193 167 D C 1.429 177.830 176.300 0.169 0.000 0.998 167 D CA 1.028 55.113 54.000 0.142 0.000 0.836 167 D CB -0.356 40.537 40.800 0.156 0.000 0.951 167 D HN 0.275 nan 8.370 nan 0.000 0.449 168 W N 0.416 121.704 121.300 -0.020 0.000 2.335 168 W HA -0.254 4.405 4.660 -0.002 0.000 0.311 168 W C 2.122 178.654 176.519 0.021 0.000 1.213 168 W CA 1.403 58.740 57.345 -0.013 0.000 1.274 168 W CB -0.721 28.605 29.460 -0.223 0.000 1.148 168 W HN -0.000 nan 8.180 nan 0.000 0.498 169 Y N -0.429 119.918 120.300 0.079 0.000 2.224 169 Y HA -0.252 4.297 4.550 -0.002 0.000 0.289 169 Y C 2.479 178.369 175.900 -0.016 0.000 1.146 169 Y CA 1.997 60.020 58.100 -0.128 0.000 1.182 169 Y CB -1.116 37.297 38.460 -0.078 0.000 0.983 169 Y HN -0.224 nan 8.280 nan 0.000 0.524 170 V N -1.189 118.807 119.914 0.137 0.000 2.358 170 V HA -0.308 3.811 4.120 -0.002 0.000 0.246 170 V C 1.937 178.096 176.094 0.109 0.000 1.047 170 V CA 1.920 64.314 62.300 0.157 0.000 1.035 170 V CB -0.831 31.045 31.823 0.088 0.000 0.658 170 V HN 0.455 nan 8.190 nan 0.000 0.452 171 Y N 1.421 121.659 120.300 -0.104 0.000 2.200 171 Y HA -0.158 4.391 4.550 -0.002 0.000 0.290 171 Y C 2.381 178.162 175.900 -0.199 0.000 1.137 171 Y CA 1.390 59.406 58.100 -0.141 0.000 1.163 171 Y CB -0.499 37.922 38.460 -0.064 0.000 0.988 171 Y HN 0.150 nan 8.280 nan 0.000 0.518 172 A N 0.077 122.675 122.820 -0.369 0.000 1.940 172 A HA -0.209 4.110 4.320 -0.002 0.000 0.219 172 A C 2.117 179.666 177.584 -0.058 0.000 1.176 172 A CA 1.727 53.559 52.037 -0.342 0.000 0.631 172 A CB -1.437 17.203 19.000 -0.601 0.000 0.814 172 A HN 0.651 nan 8.150 nan 0.000 0.446 173 F N 0.560 120.421 119.950 -0.147 0.000 2.037 173 F HA -0.047 4.479 4.527 -0.002 0.000 0.291 173 F C 1.899 177.403 175.800 -0.494 0.000 1.137 173 F CA 1.544 59.243 58.000 -0.502 0.000 1.178 173 F CB -0.858 37.916 39.000 -0.375 0.000 0.995 173 F HN 0.115 nan 8.300 nan 0.000 0.472 174 L N 0.671 121.374 121.223 -0.866 0.000 2.051 174 L HA -0.278 4.061 4.340 -0.002 0.000 0.214 174 L C 2.563 179.060 176.870 -0.620 0.000 1.076 174 L CA 1.879 56.200 54.840 -0.865 0.000 0.758 174 L CB -1.172 40.596 42.059 -0.485 0.000 0.890 174 L HN 0.455 nan 8.230 nan 0.000 0.433 175 S N -2.357 113.001 115.700 -0.570 0.000 2.603 175 S HA -0.022 4.447 4.470 -0.002 0.000 0.229 175 S C 1.721 176.353 174.600 0.055 0.000 0.972 175 S CA 0.776 58.771 58.200 -0.341 0.000 0.935 175 S CB 0.107 63.027 63.200 -0.467 0.000 0.769 175 S HN 0.292 nan 8.310 nan 0.000 0.536 176 S N 1.301 116.968 115.700 -0.053 0.000 2.483 176 S HA 0.322 4.791 4.470 -0.002 0.000 0.221 176 S C 1.617 176.364 174.600 0.244 0.000 1.030 176 S CA 0.029 58.345 58.200 0.192 0.000 0.925 176 S CB -0.323 63.008 63.200 0.218 0.000 0.795 176 S HN 0.440 nan 8.310 nan 0.000 0.511 177 L N 1.705 122.912 121.223 -0.027 0.000 2.051 177 L HA -0.131 4.208 4.340 -0.002 0.000 0.214 177 L C -0.896 176.071 176.870 0.162 0.000 1.076 177 L CA 1.516 56.374 54.840 0.031 0.000 0.758 177 L CB -2.151 39.900 42.059 -0.014 0.000 0.890 177 L HN 0.182 nan 8.230 nan 0.000 0.433 178 P HA -0.223 nan 4.420 nan 0.000 0.218 178 P C 1.319 178.548 177.300 -0.119 0.000 1.150 178 P CA 1.694 64.750 63.100 -0.073 0.000 0.841 178 P CB -0.063 31.464 31.700 -0.287 0.000 0.784 179 W N -2.194 119.182 121.300 0.126 0.000 2.644 179 W HA 0.199 4.858 4.660 -0.001 0.000 0.279 179 W C 1.758 178.336 176.519 0.098 0.000 1.164 179 W CA 0.461 57.884 57.345 0.130 0.000 1.457 179 W CB -0.613 28.928 29.460 0.134 0.000 1.087 179 W HN -0.311 nan 8.180 nan 0.000 0.573 180 V N 0.450 120.550 119.914 0.310 0.000 3.528 180 V HA 0.197 4.316 4.120 -0.002 0.000 0.294 180 V C 1.897 178.002 176.094 0.018 0.000 1.404 180 V CA 1.064 63.457 62.300 0.154 0.000 1.065 180 V CB -0.072 31.850 31.823 0.164 0.000 0.904 180 V HN 0.092 nan 8.190 nan 0.000 0.435 181 G N 0.330 109.112 108.800 -0.031 0.000 2.446 181 G HA2 -0.341 3.618 3.960 -0.002 0.000 0.217 181 G HA3 -0.341 3.618 3.960 -0.002 0.000 0.217 181 G C 1.482 175.934 174.900 -0.747 0.000 1.168 181 G CA 1.347 46.188 45.100 -0.432 0.000 0.771 181 G HN 0.522 nan 8.290 nan 0.000 0.551 182 K N 0.192 120.418 120.400 -0.289 0.000 2.032 182 K HA -0.161 4.158 4.320 -0.002 0.000 0.209 182 K C 2.397 178.887 176.600 -0.184 0.000 1.048 182 K CA 1.773 57.943 56.287 -0.194 0.000 0.927 182 K CB -0.174 32.385 32.500 0.099 0.000 0.712 182 K HN 0.262 nan 8.250 nan 0.000 0.441 183 E N 0.937 121.072 120.200 -0.109 0.000 2.051 183 E HA -0.150 4.199 4.350 -0.002 0.000 0.192 183 E C 1.960 178.489 176.600 -0.118 0.000 0.991 183 E CA 1.432 57.779 56.400 -0.089 0.000 0.799 183 E CB -0.236 29.421 29.700 -0.071 0.000 0.748 183 E HN 0.370 nan 8.360 nan 0.000 0.449 184 L N -0.709 120.433 121.223 -0.136 0.000 2.046 184 L HA -0.168 4.171 4.340 -0.002 0.000 0.208 184 L C 2.262 179.045 176.870 -0.145 0.000 1.077 184 L CA 1.359 56.136 54.840 -0.106 0.000 0.747 184 L CB -0.556 41.486 42.059 -0.030 0.000 0.896 184 L HN 0.234 nan 8.230 nan 0.000 0.432 185 Y N 0.686 120.723 120.300 -0.438 0.000 2.509 185 Y HA -0.205 4.344 4.550 -0.002 0.000 0.293 185 Y C 2.530 178.291 175.900 -0.232 0.000 1.133 185 Y CA 1.327 59.178 58.100 -0.416 0.000 1.283 185 Y CB -0.023 37.992 38.460 -0.742 0.000 1.001 185 Y HN 0.260 nan 8.280 nan 0.000 0.555 186 E N -0.761 119.350 120.200 -0.148 0.000 2.250 186 E HA -0.085 4.264 4.350 -0.002 0.000 0.192 186 E C 1.567 178.095 176.600 -0.120 0.000 0.986 186 E CA 0.568 56.903 56.400 -0.108 0.000 0.849 186 E CB 0.237 29.908 29.700 -0.049 0.000 0.797 186 E HN 0.108 nan 8.360 nan 0.000 0.482 187 K N -0.077 120.249 120.400 -0.123 0.000 2.354 187 K HA 0.133 4.452 4.320 -0.002 0.000 0.194 187 K C 0.265 176.796 176.600 -0.115 0.000 1.045 187 K CA 0.291 56.518 56.287 -0.100 0.000 1.026 187 K CB 0.943 33.396 32.500 -0.078 0.000 0.866 187 K HN -0.103 nan 8.250 nan 0.000 0.530 188 K N 1.828 122.133 120.400 -0.158 0.000 3.439 188 K HA 0.033 4.352 4.320 -0.002 0.000 0.170 188 K C 0.076 176.529 176.600 -0.246 0.000 1.035 188 K CA 0.051 56.245 56.287 -0.154 0.000 0.794 188 K CB 0.888 33.332 32.500 -0.094 0.000 0.795 188 K HN 0.066 nan 8.250 nan 0.000 0.519 189 D N 0.484 120.641 120.400 -0.404 0.000 2.172 189 D HA -0.217 4.422 4.640 -0.002 0.000 0.196 189 D C 1.324 177.387 176.300 -0.395 0.000 0.999 189 D CA 1.619 55.181 54.000 -0.730 0.000 0.856 189 D CB 0.131 40.445 40.800 -0.810 0.000 0.934 189 D HN 0.160 nan 8.370 nan 0.000 0.453 190 A N 0.946 123.637 122.820 -0.214 0.000 1.873 190 A HA -0.177 4.141 4.320 -0.002 0.000 0.215 190 A C 2.198 179.747 177.584 -0.058 0.000 1.186 190 A CA 1.780 53.755 52.037 -0.104 0.000 0.616 190 A CB -0.620 18.336 19.000 -0.072 0.000 0.823 190 A HN 0.166 nan 8.150 nan 0.000 0.442 191 E N -0.505 119.657 120.200 -0.062 0.000 2.110 191 E HA -0.158 4.191 4.350 -0.002 0.000 0.193 191 E C 2.062 178.665 176.600 0.004 0.000 0.988 191 E CA 1.370 57.757 56.400 -0.023 0.000 0.804 191 E CB -0.298 29.386 29.700 -0.027 0.000 0.745 191 E HN 0.462 nan 8.360 nan 0.000 0.458 192 M N 0.695 120.283 119.600 -0.019 0.000 2.132 192 M HA -0.124 4.355 4.480 -0.002 0.000 0.263 192 M C 1.330 177.643 176.300 0.022 0.000 1.065 192 M CA 1.297 56.605 55.300 0.014 0.000 1.122 192 M CB -0.808 31.817 32.600 0.041 0.000 1.365 192 M HN 0.068 nan 8.290 nan 0.000 0.411 193 D N -0.242 120.195 120.400 0.062 0.000 2.149 193 D HA -0.183 4.456 4.640 -0.002 0.000 0.198 193 D C 2.107 178.518 176.300 0.185 0.000 0.990 193 D CA 1.102 55.185 54.000 0.138 0.000 0.839 193 D CB -0.303 40.570 40.800 0.122 0.000 0.948 193 D HN 0.374 nan 8.370 nan 0.000 0.460 194 R N 0.509 121.082 120.500 0.122 0.000 2.066 194 R HA -0.058 4.281 4.340 -0.002 0.000 0.232 194 R C 2.510 178.903 176.300 0.156 0.000 1.131 194 R CA 0.777 56.946 56.100 0.115 0.000 0.955 194 R CB -0.215 30.122 30.300 0.062 0.000 0.851 194 R HN 0.138 nan 8.270 nan 0.000 0.432 195 I N -0.021 120.649 120.570 0.167 0.000 2.226 195 I HA -0.295 3.874 4.170 -0.002 0.000 0.245 195 I C 1.966 178.315 176.117 0.387 0.000 1.100 195 I CA 1.463 62.866 61.300 0.173 0.000 1.374 195 I CB -0.349 37.695 38.000 0.073 0.000 1.057 195 I HN 0.214 nan 8.210 nan 0.000 0.413 196 F N 0.848 120.940 119.950 0.237 0.000 2.171 196 F HA -0.236 4.290 4.527 -0.002 0.000 0.300 196 F C 2.691 178.658 175.800 0.279 0.000 1.090 196 F CA 0.676 58.895 58.000 0.365 0.000 1.293 196 F CB -0.230 38.998 39.000 0.379 0.000 1.013 196 F HN 0.051 nan 8.300 nan 0.000 0.486 197 A N 0.610 123.656 122.820 0.377 0.000 1.877 197 A HA -0.250 4.069 4.320 -0.002 0.000 0.216 197 A C 1.770 179.429 177.584 0.125 0.000 1.186 197 A CA 2.185 54.353 52.037 0.219 0.000 0.620 197 A CB -1.120 17.979 19.000 0.165 0.000 0.822 197 A HN 0.461 nan 8.150 nan 0.000 0.443 198 N N -0.983 117.786 118.700 0.115 0.000 2.244 198 N HA -0.097 4.641 4.740 -0.002 0.000 0.183 198 N C 1.637 177.169 175.510 0.038 0.000 1.016 198 N CA 1.579 54.665 53.050 0.060 0.000 0.866 198 N CB -0.185 38.328 38.487 0.043 0.000 0.980 198 N HN 0.478 nan 8.380 nan 0.000 0.430 199 T N 0.606 115.188 114.554 0.046 0.000 2.701 199 T HA -0.179 4.170 4.350 -0.002 0.000 0.263 199 T C 1.717 176.250 174.700 -0.279 0.000 1.040 199 T CA 1.075 63.152 62.100 -0.038 0.000 1.147 199 T CB -0.289 68.608 68.868 0.049 0.000 0.865 199 T HN 0.347 nan 8.240 nan 0.000 0.426 200 E N 0.720 120.659 120.200 -0.435 0.000 2.110 200 E HA -0.159 4.190 4.350 -0.002 0.000 0.193 200 E C 2.355 178.761 176.600 -0.323 0.000 0.988 200 E CA 1.276 57.286 56.400 -0.650 0.000 0.804 200 E CB -0.196 29.311 29.700 -0.322 0.000 0.745 200 E HN 0.379 nan 8.360 nan 0.000 0.458 201 S N -0.736 114.881 115.700 -0.138 0.000 2.356 201 S HA -0.230 4.239 4.470 -0.002 0.000 0.223 201 S C 1.891 176.443 174.600 -0.080 0.000 1.032 201 S CA 1.378 59.532 58.200 -0.076 0.000 1.005 201 S CB -0.542 62.652 63.200 -0.010 0.000 0.867 201 S HN 0.600 nan 8.310 nan 0.000 0.449 202 Y N 1.961 122.161 120.300 -0.167 0.000 2.163 202 Y HA 0.029 4.578 4.550 -0.002 0.000 0.288 202 Y C 1.923 177.707 175.900 -0.193 0.000 1.136 202 Y CA 1.622 59.631 58.100 -0.152 0.000 1.147 202 Y CB -0.542 37.840 38.460 -0.130 0.000 0.987 202 Y HN 0.253 nan 8.280 nan 0.000 0.509 203 L N 0.287 121.271 121.223 -0.399 0.000 2.079 203 L HA -0.264 4.075 4.340 -0.002 0.000 0.210 203 L C 2.323 178.930 176.870 -0.437 0.000 1.081 203 L CA 1.778 56.311 54.840 -0.512 0.000 0.752 203 L CB -0.587 41.122 42.059 -0.584 0.000 0.896 203 L HN 0.179 nan 8.230 nan 0.000 0.433 204 K N 0.342 120.532 120.400 -0.348 0.000 2.362 204 K HA -0.128 4.190 4.320 -0.002 0.000 0.200 204 K C 1.644 178.109 176.600 -0.226 0.000 1.046 204 K CA 0.904 57.044 56.287 -0.245 0.000 0.952 204 K CB 0.013 32.406 32.500 -0.177 0.000 0.753 204 K HN 0.471 nan 8.250 nan 0.000 0.466 205 R N 0.248 120.576 120.500 -0.286 0.000 2.509 205 R HA 0.188 4.527 4.340 -0.002 0.000 0.300 205 R C -0.052 176.074 176.300 -0.291 0.000 0.985 205 R CA -0.326 55.630 56.100 -0.239 0.000 1.092 205 R CB 0.209 30.405 30.300 -0.173 0.000 1.237 205 R HN -0.109 nan 8.270 nan 0.000 0.546 206 R N 1.646 121.910 120.500 -0.393 0.000 2.641 206 R HA 0.106 4.445 4.340 -0.002 0.000 0.269 206 R C -0.350 175.843 176.300 -0.178 0.000 1.074 206 R CA -0.073 55.822 56.100 -0.341 0.000 1.133 206 R CB 0.671 30.741 30.300 -0.384 0.000 1.029 206 R HN 0.231 nan 8.270 nan 0.000 0.488 207 Q N 1.750 121.486 119.800 -0.106 0.000 2.259 207 Q HA 0.164 4.503 4.340 -0.002 0.000 0.249 207 Q C -0.026 175.951 176.000 -0.039 0.000 0.914 207 Q CA -0.339 55.422 55.803 -0.070 0.000 0.904 207 Q CB 1.273 29.982 28.738 -0.049 0.000 1.213 207 Q HN 0.189 nan 8.270 nan 0.000 0.428 208 K N 1.722 122.048 120.400 -0.123 0.000 2.593 208 K HA 0.115 4.433 4.320 -0.002 0.000 0.208 208 K C 0.636 177.022 176.600 -0.357 0.000 1.051 208 K CA 0.017 56.134 56.287 -0.283 0.000 1.111 208 K CB 0.478 32.849 32.500 -0.216 0.000 0.849 208 K HN 0.604 nan 8.250 nan 0.000 0.479 209 T N 1.110 115.546 114.554 -0.197 0.000 2.759 209 T HA -0.145 4.204 4.350 -0.002 0.000 0.269 209 T C 1.637 176.241 174.700 -0.159 0.000 1.042 209 T CA 1.495 63.511 62.100 -0.141 0.000 1.140 209 T CB -0.223 68.601 68.868 -0.074 0.000 0.864 209 T HN 0.484 nan 8.240 nan 0.000 0.455 210 H N 0.590 119.603 119.070 -0.095 0.000 2.495 210 H HA 0.110 4.665 4.556 -0.002 0.000 0.287 210 H C 2.147 177.436 175.328 -0.065 0.000 1.033 210 H CA 0.623 56.613 56.048 -0.097 0.000 1.307 210 H CB -1.134 28.564 29.762 -0.106 0.000 1.401 210 H HN 0.219 nan 8.280 nan 0.000 0.555 211 V N 2.607 122.258 119.914 -0.438 0.000 2.231 211 V HA -0.217 3.902 4.120 -0.002 0.000 0.250 211 V C -0.253 175.788 176.094 -0.087 0.000 1.058 211 V CA 2.506 64.675 62.300 -0.218 0.000 1.022 211 V CB -1.550 30.129 31.823 -0.239 0.000 0.640 211 V HN 0.427 nan 8.190 nan 0.000 0.445 212 P HA -0.170 nan 4.420 nan 0.000 0.221 212 P C 1.694 178.974 177.300 -0.033 0.000 1.145 212 P CA 1.517 64.591 63.100 -0.043 0.000 0.795 212 P CB -0.099 31.579 31.700 -0.037 0.000 0.775 213 M N -1.636 117.944 119.600 -0.034 0.000 2.514 213 M HA 0.070 4.548 4.480 -0.002 0.000 0.258 213 M C 0.891 177.179 176.300 -0.020 0.000 1.119 213 M CA 1.177 56.462 55.300 -0.024 0.000 1.111 213 M CB 0.006 32.594 32.600 -0.021 0.000 1.390 213 M HN -0.116 nan 8.290 nan 0.000 0.475 214 L N -0.419 120.798 121.223 -0.011 0.000 2.766 214 L HA 0.261 4.600 4.340 -0.002 0.000 0.242 214 L C 0.136 177.003 176.870 -0.006 0.000 1.136 214 L CA -0.217 54.618 54.840 -0.008 0.000 0.933 214 L CB 0.193 42.263 42.059 0.018 0.000 1.241 214 L HN 0.189 nan 8.230 nan 0.000 0.522 215 Q N 0.240 120.033 119.800 -0.011 0.000 2.286 215 Q HA 0.128 4.467 4.340 -0.002 0.000 0.257 215 Q C 1.008 176.967 176.000 -0.067 0.000 0.941 215 Q CA -0.336 55.466 55.803 -0.002 0.000 0.912 215 Q CB 2.579 31.328 28.738 0.017 0.000 1.192 215 Q HN 0.024 nan 8.270 nan 0.000 0.410 216 V N 2.252 122.102 119.914 -0.106 0.000 2.453 216 V HA -0.085 4.034 4.120 -0.002 0.000 0.247 216 V C 0.280 176.049 176.094 -0.541 0.000 1.048 216 V CA 1.101 63.164 62.300 -0.394 0.000 1.049 216 V CB -0.005 31.491 31.823 -0.544 0.000 0.672 216 V HN 0.669 nan 8.190 nan 0.000 0.457 217 W N -0.366 120.882 121.300 -0.087 0.000 2.915 217 W HA 0.379 5.038 4.660 -0.002 0.000 0.337 217 W C 0.986 177.458 176.519 -0.079 0.000 1.102 217 W CA -0.073 57.205 57.345 -0.111 0.000 1.224 217 W CB 1.517 30.890 29.460 -0.145 0.000 1.416 217 W HN 0.073 nan 8.180 nan 0.000 0.503 218 T N -1.101 113.541 114.554 0.147 0.000 3.051 218 T HA 0.246 4.595 4.350 -0.002 0.000 0.255 218 T C 0.897 175.628 174.700 0.053 0.000 1.085 218 T CA 0.206 62.349 62.100 0.073 0.000 1.109 218 T CB 0.170 69.063 68.868 0.042 0.000 0.921 218 T HN 0.352 nan 8.240 nan 0.000 0.488 219 A N 2.786 125.636 122.820 0.051 0.000 2.445 219 A HA 0.390 4.709 4.320 -0.002 0.000 0.242 219 A C 0.855 178.417 177.584 -0.036 0.000 1.075 219 A CA -0.103 51.924 52.037 -0.016 0.000 0.777 219 A CB 0.138 19.098 19.000 -0.067 0.000 1.013 219 A HN 0.542 nan 8.150 nan 0.000 0.493 220 D N -0.258 120.110 120.400 -0.054 0.000 2.349 220 D HA 0.249 4.888 4.640 -0.002 0.000 0.214 220 D C -0.059 176.172 176.300 -0.114 0.000 1.063 220 D CA 0.284 54.248 54.000 -0.060 0.000 0.847 220 D CB 0.177 40.953 40.800 -0.040 0.000 0.933 220 D HN 0.205 nan 8.370 nan 0.000 0.513 221 K N 0.745 121.050 120.400 -0.157 0.000 2.378 221 K HA 0.363 4.682 4.320 -0.002 0.000 0.252 221 K C -1.832 174.582 176.600 -0.310 0.000 0.931 221 K CA -2.018 54.135 56.287 -0.223 0.000 0.794 221 K CB 2.286 34.681 32.500 -0.175 0.000 1.181 221 K HN -0.227 nan 8.250 nan 0.000 0.425 222 P HA -0.005 nan 4.420 nan 0.000 0.231 222 P C -0.676 176.183 177.300 -0.735 0.000 1.168 222 P CA 0.715 63.474 63.100 -0.567 0.000 0.779 222 P CB 0.516 31.814 31.700 -0.670 0.000 0.844 223 H N 0.097 119.010 119.070 -0.262 0.000 2.744 223 H HA 0.395 4.950 4.556 -0.002 0.000 0.339 223 H C -2.634 172.596 175.328 -0.162 0.000 1.004 223 H CA -2.419 53.501 56.048 -0.213 0.000 1.257 223 H CB 1.757 31.364 29.762 -0.258 0.000 1.552 223 H HN -0.001 nan 8.280 nan 0.000 0.522 224 P HA 0.047 nan 4.420 nan 0.000 0.275 224 P C -0.150 177.182 177.300 0.053 0.000 1.227 224 P CA -0.459 62.650 63.100 0.016 0.000 0.781 224 P CB 0.877 32.584 31.700 0.013 0.000 0.906 225 Q N 2.532 122.377 119.800 0.075 0.000 2.406 225 Q HA 0.187 4.526 4.340 -0.002 0.000 0.242 225 Q C -0.102 175.956 176.000 0.097 0.000 1.036 225 Q CA 0.089 55.954 55.803 0.103 0.000 0.904 225 Q CB 0.389 29.210 28.738 0.138 0.000 1.244 225 Q HN 0.488 nan 8.270 nan 0.000 0.478 226 E N 1.423 121.692 120.200 0.115 0.000 2.343 226 E HA 0.091 4.440 4.350 -0.002 0.000 0.269 226 E C -0.093 176.596 176.600 0.148 0.000 1.047 226 E CA -0.532 55.943 56.400 0.125 0.000 0.874 226 E CB 1.148 30.944 29.700 0.160 0.000 1.033 226 E HN 0.267 nan 8.360 nan 0.000 0.409 227 E N 2.304 122.580 120.200 0.126 0.000 2.415 227 E HA -0.092 4.257 4.350 -0.002 0.000 0.263 227 E C 0.424 177.162 176.600 0.230 0.000 0.995 227 E CA 0.125 56.633 56.400 0.181 0.000 0.915 227 E CB 0.423 30.189 29.700 0.109 0.000 0.951 227 E HN 0.578 nan 8.360 nan 0.000 0.449 228 Y N 4.637 125.001 120.300 0.106 0.000 2.151 228 Y HA -0.222 4.327 4.550 -0.002 0.000 0.284 228 Y C 1.659 177.640 175.900 0.135 0.000 1.166 228 Y CA 1.398 59.575 58.100 0.127 0.000 1.163 228 Y CB -0.558 37.965 38.460 0.106 0.000 0.974 228 Y HN 0.506 nan 8.280 nan 0.000 0.511 229 L N 0.157 121.008 121.223 -0.620 0.000 2.156 229 L HA -0.127 4.212 4.340 -0.002 0.000 0.208 229 L C 1.957 178.736 176.870 -0.151 0.000 1.095 229 L CA 1.292 55.843 54.840 -0.482 0.000 0.770 229 L CB -0.487 41.252 42.059 -0.534 0.000 0.914 229 L HN 0.236 nan 8.230 nan 0.000 0.439 230 D N -0.958 119.393 120.400 -0.081 0.000 2.183 230 D HA -0.178 4.461 4.640 -0.002 0.000 0.203 230 D C 2.146 178.455 176.300 0.014 0.000 0.969 230 D CA 1.018 55.011 54.000 -0.013 0.000 0.842 230 D CB -0.169 40.629 40.800 -0.003 0.000 0.957 230 D HN 0.346 nan 8.370 nan 0.000 0.484 231 C N 0.463 119.778 119.300 0.026 0.000 2.453 231 C HA -0.056 4.403 4.460 -0.002 0.000 0.277 231 C C 2.650 177.595 174.990 -0.075 0.000 1.262 231 C CA 0.251 59.281 59.018 0.019 0.000 1.718 231 C CB -1.110 26.722 27.740 0.154 0.000 2.031 231 C HN 0.240 nan 8.230 nan 0.000 0.480 232 L N 0.857 122.047 121.223 -0.054 0.000 2.042 232 L HA -0.098 4.241 4.340 -0.002 0.000 0.210 232 L C 2.249 178.992 176.870 -0.212 0.000 1.076 232 L CA 2.298 57.023 54.840 -0.192 0.000 0.749 232 L CB -1.154 40.782 42.059 -0.205 0.000 0.893 232 L HN 0.738 nan 8.230 nan 0.000 0.432 233 W N 0.285 121.402 121.300 -0.305 0.000 2.358 233 W HA -0.260 4.399 4.660 -0.001 0.000 0.303 233 W C 2.122 178.446 176.519 -0.326 0.000 1.208 233 W CA 1.930 59.085 57.345 -0.316 0.000 1.274 233 W CB -0.197 29.107 29.460 -0.259 0.000 1.138 233 W HN 0.359 nan 8.180 nan 0.000 0.515 234 A N 0.782 123.395 122.820 -0.346 0.000 1.933 234 A HA -0.259 4.060 4.320 -0.002 0.000 0.218 234 A C 1.919 179.190 177.584 -0.521 0.000 1.175 234 A CA 1.882 53.592 52.037 -0.545 0.000 0.628 234 A CB -0.922 17.549 19.000 -0.881 0.000 0.814 234 A HN 0.554 nan 8.150 nan 0.000 0.444 235 Q N -0.699 118.847 119.800 -0.422 0.000 2.079 235 Q HA -0.066 4.272 4.340 -0.002 0.000 0.200 235 Q C 1.859 177.631 176.000 -0.380 0.000 0.974 235 Q CA 1.083 56.701 55.803 -0.309 0.000 0.840 235 Q CB -0.203 28.402 28.738 -0.221 0.000 0.898 235 Q HN 0.562 nan 8.270 nan 0.000 0.430 236 I N 0.933 121.217 120.570 -0.477 0.000 2.493 236 I HA -0.200 3.969 4.170 -0.002 0.000 0.254 236 I C 2.176 177.907 176.117 -0.643 0.000 1.160 236 I CA 1.226 62.217 61.300 -0.514 0.000 1.445 236 I CB -0.881 36.799 38.000 -0.534 0.000 1.086 236 I HN 0.286 nan 8.210 nan 0.000 0.433 237 Q N 0.598 119.958 119.800 -0.734 0.000 2.119 237 Q HA -0.197 4.142 4.340 -0.002 0.000 0.201 237 Q C 2.206 177.910 176.000 -0.494 0.000 0.972 237 Q CA 1.159 56.559 55.803 -0.670 0.000 0.847 237 Q CB -0.201 28.122 28.738 -0.693 0.000 0.903 237 Q HN 0.515 nan 8.270 nan 0.000 0.433 238 K N 0.504 120.659 120.400 -0.408 0.000 2.097 238 K HA -0.139 4.180 4.320 -0.002 0.000 0.205 238 K C 2.096 178.476 176.600 -0.367 0.000 1.050 238 K CA 0.577 56.680 56.287 -0.307 0.000 0.938 238 K CB -0.066 32.312 32.500 -0.203 0.000 0.718 238 K HN 0.062 nan 8.250 nan 0.000 0.442 239 L N 2.037 122.992 121.223 -0.447 0.000 1.994 239 L HA -0.166 4.173 4.340 -0.002 0.000 0.208 239 L C 2.317 178.661 176.870 -0.876 0.000 1.071 239 L CA 1.941 56.471 54.840 -0.517 0.000 0.745 239 L CB -0.621 41.164 42.059 -0.457 0.000 0.892 239 L HN 0.144 nan 8.230 nan 0.000 0.431 240 K N -0.325 119.332 120.400 -1.239 0.000 2.032 240 K HA -0.280 4.039 4.320 -0.002 0.000 0.209 240 K C 2.358 178.478 176.600 -0.800 0.000 1.048 240 K CA 1.961 57.309 56.287 -1.564 0.000 0.927 240 K CB -0.244 31.620 32.500 -1.059 0.000 0.712 240 K HN 0.351 nan 8.250 nan 0.000 0.441 241 K N 0.422 120.512 120.400 -0.517 0.000 2.063 241 K HA -0.154 4.165 4.320 -0.002 0.000 0.208 241 K C 0.558 177.003 176.600 -0.259 0.000 1.048 241 K CA 1.975 58.078 56.287 -0.307 0.000 0.928 241 K CB -0.006 32.352 32.500 -0.236 0.000 0.713 241 K HN 0.150 nan 8.250 nan 0.000 0.442 242 D N 0.882 121.107 120.400 -0.293 0.000 2.332 242 D HA 0.017 4.656 4.640 -0.002 0.000 0.244 242 D C -0.416 175.777 176.300 -0.178 0.000 1.136 242 D CA 0.284 54.164 54.000 -0.199 0.000 0.884 242 D CB -0.026 40.668 40.800 -0.176 0.000 0.906 242 D HN 0.187 nan 8.370 nan 0.000 0.520 243 R N -1.643 118.716 120.500 -0.235 0.000 3.423 243 R HA -0.216 4.123 4.340 -0.002 0.000 0.271 243 R C -0.560 175.764 176.300 0.040 0.000 1.093 243 R CA 0.213 56.262 56.100 -0.085 0.000 0.730 243 R CB -2.537 27.776 30.300 0.023 0.000 1.190 243 R HN 0.315 nan 8.270 nan 0.000 0.437 244 W N -1.479 119.776 121.300 -0.076 0.000 5.770 244 W HA -0.284 4.375 4.660 -0.002 0.000 0.389 244 W C 0.024 176.517 176.519 -0.043 0.000 1.469 244 W CA 0.632 57.937 57.345 -0.067 0.000 0.975 244 W CB -1.236 28.198 29.460 -0.042 0.000 2.622 244 W HN 0.275 nan 8.180 nan 0.000 1.500 245 Q N 0.811 120.640 119.800 0.048 0.000 2.330 245 Q HA 0.433 4.772 4.340 -0.002 0.000 0.269 245 Q C 0.216 176.208 176.000 -0.013 0.000 1.022 245 Q CA -0.553 55.270 55.803 0.035 0.000 0.796 245 Q CB 2.031 30.780 28.738 0.019 0.000 1.271 245 Q HN 0.350 nan 8.270 nan 0.000 0.450 246 E N 0.372 120.567 120.200 -0.007 0.000 2.288 246 E HA 0.499 4.848 4.350 -0.002 0.000 0.268 246 E C -0.582 176.012 176.600 -0.010 0.000 0.885 246 E CA -0.854 55.532 56.400 -0.024 0.000 0.767 246 E CB 1.270 30.943 29.700 -0.046 0.000 1.220 246 E HN 0.288 nan 8.360 nan 0.000 0.427 247 R N 0.742 121.246 120.500 0.006 0.000 2.721 247 R HA 0.210 4.549 4.340 -0.002 0.000 0.296 247 R C -0.024 176.320 176.300 0.073 0.000 1.174 247 R CA 0.179 56.292 56.100 0.021 0.000 1.129 247 R CB -0.252 30.058 30.300 0.016 0.000 1.316 247 R HN 0.693 nan 8.270 nan 0.000 0.571 248 H N -0.462 118.574 119.070 -0.057 0.000 2.089 248 H HA 0.295 4.849 4.556 -0.002 0.000 0.206 248 H C 0.240 175.527 175.328 -0.069 0.000 0.872 248 H CA -0.125 55.891 56.048 -0.053 0.000 0.979 248 H CB 0.491 30.232 29.762 -0.035 0.000 1.266 248 H HN -0.056 nan 8.280 nan 0.000 0.389 249 I N 3.246 123.690 120.570 -0.210 0.000 2.826 249 I HA -0.101 4.068 4.170 -0.002 0.000 0.295 249 I C -0.136 175.851 176.117 -0.216 0.000 1.213 249 I CA 0.600 61.754 61.300 -0.244 0.000 1.436 249 I CB 0.371 38.233 38.000 -0.230 0.000 1.348 249 I HN 0.243 nan 8.210 nan 0.000 0.570 250 L N 7.985 129.084 121.223 -0.208 0.000 2.265 250 L HA 0.346 4.685 4.340 -0.002 0.000 0.288 250 L C 0.243 177.002 176.870 -0.186 0.000 1.058 250 L CA -0.269 54.457 54.840 -0.190 0.000 0.809 250 L CB 0.488 42.432 42.059 -0.192 0.000 1.179 250 L HN 0.550 nan 8.230 nan 0.000 0.429 251 R N 4.302 124.634 120.500 -0.281 0.000 2.396 251 R HA 0.235 4.574 4.340 -0.002 0.000 0.292 251 R C -1.888 174.038 176.300 -0.622 0.000 1.240 251 R CA -1.547 54.178 56.100 -0.626 0.000 1.270 251 R CB 0.910 30.828 30.300 -0.637 0.000 1.108 251 R HN 0.360 nan 8.270 nan 0.000 0.573 252 P HA -0.228 nan 4.420 nan 0.000 0.216 252 P C 0.665 177.993 177.300 0.047 0.000 1.150 252 P CA 1.303 64.329 63.100 -0.123 0.000 0.843 252 P CB 0.032 31.712 31.700 -0.032 0.000 0.787 253 Y N -1.481 118.925 120.300 0.177 0.000 2.403 253 Y HA -0.067 4.482 4.550 -0.002 0.000 0.291 253 Y C 1.861 177.907 175.900 0.243 0.000 1.143 253 Y CA 0.367 58.607 58.100 0.233 0.000 1.257 253 Y CB -2.086 36.447 38.460 0.120 0.000 0.984 253 Y HN -0.113 nan 8.280 nan 0.000 0.550 254 L N 0.350 121.681 121.223 0.180 0.000 2.353 254 L HA -0.117 4.222 4.340 -0.002 0.000 0.220 254 L C 2.543 179.468 176.870 0.091 0.000 1.133 254 L CA 0.892 55.832 54.840 0.167 0.000 0.798 254 L CB -0.557 41.527 42.059 0.042 0.000 0.922 254 L HN 0.479 nan 8.230 nan 0.000 0.445 255 A N -0.892 121.960 122.820 0.053 0.000 2.123 255 A HA 0.024 4.343 4.320 -0.002 0.000 0.214 255 A C 1.157 178.561 177.584 -0.299 0.000 1.152 255 A CA 0.466 52.402 52.037 -0.169 0.000 0.728 255 A CB -0.212 18.592 19.000 -0.326 0.000 0.814 255 A HN 0.347 nan 8.150 nan 0.000 0.464 256 F N 0.009 119.992 119.950 0.055 0.000 2.925 256 F HA 0.185 4.712 4.527 -0.001 0.000 0.302 256 F C 1.281 177.110 175.800 0.048 0.000 1.189 256 F CA -0.736 57.293 58.000 0.049 0.000 1.346 256 F CB -0.008 39.028 39.000 0.060 0.000 0.954 256 F HN 0.160 nan 8.300 nan 0.000 0.506 257 D N 1.103 121.594 120.400 0.152 0.000 2.137 257 D HA -0.250 4.389 4.640 -0.002 0.000 0.189 257 D C 2.319 178.648 176.300 0.049 0.000 0.998 257 D CA 2.480 56.542 54.000 0.103 0.000 0.839 257 D CB -0.093 40.747 40.800 0.067 0.000 0.962 257 D HN 0.232 nan 8.370 nan 0.000 0.446 258 S N 0.114 115.836 115.700 0.037 0.000 2.380 258 S HA -0.213 4.256 4.470 -0.002 0.000 0.229 258 S C 2.217 176.832 174.600 0.025 0.000 1.043 258 S CA 1.536 59.746 58.200 0.018 0.000 1.038 258 S CB -0.680 62.529 63.200 0.015 0.000 0.872 258 S HN 0.338 nan 8.310 nan 0.000 0.456 259 I N 2.076 122.693 120.570 0.079 0.000 2.202 259 I HA -0.004 4.165 4.170 -0.002 0.000 0.242 259 I C 2.431 178.570 176.117 0.036 0.000 1.091 259 I CA 1.036 62.387 61.300 0.086 0.000 1.368 259 I CB -1.470 36.636 38.000 0.176 0.000 1.058 259 I HN 0.331 nan 8.210 nan 0.000 0.410 260 L N -0.357 120.885 121.223 0.032 0.000 2.395 260 L HA -0.102 4.237 4.340 -0.002 0.000 0.218 260 L C 2.602 179.281 176.870 -0.318 0.000 1.130 260 L CA 0.272 55.083 54.840 -0.048 0.000 0.826 260 L CB -0.538 41.552 42.059 0.052 0.000 0.941 260 L HN 0.251 nan 8.230 nan 0.000 0.451 261 C N 0.214 119.321 119.300 -0.322 0.000 2.450 261 C HA -0.095 4.364 4.460 -0.002 0.000 0.279 261 C C 2.403 177.260 174.990 -0.223 0.000 1.335 261 C CA 0.613 59.373 59.018 -0.429 0.000 1.749 261 C CB -0.555 27.059 27.740 -0.209 0.000 1.963 261 C HN 0.497 nan 8.230 nan 0.000 0.501 262 E N 0.726 120.858 120.200 -0.114 0.000 2.489 262 E HA 0.172 4.521 4.350 -0.002 0.000 0.193 262 E C 0.753 177.339 176.600 -0.024 0.000 1.057 262 E CA -0.161 56.207 56.400 -0.053 0.000 0.866 262 E CB 0.108 29.791 29.700 -0.028 0.000 0.916 262 E HN 0.589 nan 8.360 nan 0.000 0.500 263 A N 1.503 124.315 122.820 -0.013 0.000 2.388 263 A HA 0.240 4.559 4.320 -0.002 0.000 0.257 263 A C -0.074 177.563 177.584 0.089 0.000 1.095 263 A CA -0.363 51.713 52.037 0.065 0.000 0.791 263 A CB 0.367 19.428 19.000 0.102 0.000 1.029 263 A HN 0.080 nan 8.150 nan 0.000 0.489 264 L N 2.553 123.844 121.223 0.113 0.000 2.331 264 L HA 0.213 4.552 4.340 -0.002 0.000 0.278 264 L C 0.754 177.752 176.870 0.214 0.000 1.106 264 L CA 0.453 55.334 54.840 0.069 0.000 0.824 264 L CB 0.545 42.444 42.059 -0.267 0.000 1.142 264 L HN 0.848 nan 8.230 nan 0.000 0.443 265 Q N 2.871 122.742 119.800 0.119 0.000 2.368 265 Q HA 0.283 4.622 4.340 -0.002 0.000 0.237 265 Q C -0.619 175.369 176.000 -0.020 0.000 0.987 265 Q CA -0.323 55.538 55.803 0.096 0.000 0.896 265 Q CB 1.201 29.988 28.738 0.082 0.000 1.241 265 Q HN 0.443 nan 8.270 nan 0.000 0.485 266 H N 0.711 119.844 119.070 0.106 0.000 2.621 266 H HA 0.349 4.904 4.556 -0.002 0.000 0.360 266 H C -0.700 174.645 175.328 0.029 0.000 1.163 266 H CA -0.773 55.309 56.048 0.057 0.000 1.194 266 H CB 1.513 31.250 29.762 -0.043 0.000 1.649 266 H HN 0.502 nan 8.280 nan 0.000 0.532 267 N N 2.108 120.893 118.700 0.141 0.000 2.419 267 N HA 0.198 4.937 4.740 -0.002 0.000 0.277 267 N C -0.165 175.377 175.510 0.053 0.000 1.006 267 N CA -0.485 52.607 53.050 0.070 0.000 0.923 267 N CB 1.885 40.403 38.487 0.052 0.000 1.140 267 N HN 0.349 nan 8.380 nan 0.000 0.488 268 L N 3.448 124.682 121.223 0.018 0.000 2.416 268 L HA 0.237 4.576 4.340 -0.002 0.000 0.272 268 L C -1.697 175.188 176.870 0.025 0.000 1.161 268 L CA -1.335 53.508 54.840 0.005 0.000 0.845 268 L CB 0.143 42.179 42.059 -0.037 0.000 1.119 268 L HN 0.238 nan 8.230 nan 0.000 0.464 269 P HA 0.121 nan 4.420 nan 0.000 0.270 269 P C -2.433 174.914 177.300 0.079 0.000 1.223 269 P CA -0.832 62.298 63.100 0.050 0.000 0.785 269 P CB -0.149 31.580 31.700 0.047 0.000 0.923 270 P HA 0.086 nan 4.420 nan 0.000 0.266 270 P C -0.999 176.389 177.300 0.147 0.000 1.195 270 P CA 0.307 63.459 63.100 0.086 0.000 0.768 270 P CB 0.153 31.880 31.700 0.045 0.000 0.838 271 F N 2.497 122.471 119.950 0.040 0.000 2.426 271 F HA 0.375 4.901 4.527 -0.002 0.000 0.348 271 F C -0.352 175.505 175.800 0.095 0.000 1.124 271 F CA -0.161 57.891 58.000 0.086 0.000 1.008 271 F CB 1.062 40.150 39.000 0.147 0.000 1.139 271 F HN 0.082 nan 8.300 nan 0.000 0.452 272 T N 7.984 122.185 114.554 -0.589 0.000 2.801 272 T HA 0.305 4.654 4.350 -0.002 0.000 0.306 272 T C -2.647 171.637 174.700 -0.694 0.000 1.020 272 T CA -1.320 60.527 62.100 -0.423 0.000 0.948 272 T CB 0.848 69.566 68.868 -0.251 0.000 0.962 272 T HN 0.342 nan 8.240 nan 0.000 0.465 273 P HA 0.195 nan 4.420 nan 0.000 0.266 273 P C -2.664 174.585 177.300 -0.086 0.000 1.215 273 P CA -1.324 61.694 63.100 -0.136 0.000 0.763 273 P CB -0.311 31.273 31.700 -0.194 0.000 0.806 274 P HA 0.049 nan 4.420 nan 0.000 0.260 274 P C -2.144 175.205 177.300 0.081 0.000 1.172 274 P CA -0.209 62.906 63.100 0.024 0.000 0.760 274 P CB -0.939 30.801 31.700 0.067 0.000 0.773 275 P HA -0.042 nan 4.420 nan 0.000 0.267 275 P C -0.419 176.960 177.300 0.132 0.000 1.200 275 P CA 0.234 63.374 63.100 0.067 0.000 0.772 275 P CB 0.214 31.926 31.700 0.020 0.000 0.855 276 H N 1.620 120.747 119.070 0.094 0.000 2.848 276 H HA 0.307 4.862 4.556 -0.002 0.000 0.317 276 H C 0.156 175.536 175.328 0.087 0.000 1.046 276 H CA 0.257 56.395 56.048 0.150 0.000 1.470 276 H CB 0.064 29.913 29.762 0.145 0.000 1.483 276 H HN 0.373 nan 8.280 nan 0.000 0.548 277 T N 0.737 115.017 114.554 -0.457 0.000 2.905 277 T HA 0.254 4.603 4.350 -0.002 0.000 0.283 277 T C 0.970 175.351 174.700 -0.533 0.000 1.031 277 T CA -0.670 61.187 62.100 -0.405 0.000 1.002 277 T CB 1.232 69.991 68.868 -0.182 0.000 1.200 277 T HN 0.734 nan 8.240 nan 0.000 0.560 278 E N 0.214 120.251 120.200 -0.271 0.000 2.106 278 E HA -0.102 4.247 4.350 -0.002 0.000 0.192 278 E C 1.027 177.556 176.600 -0.118 0.000 0.984 278 E CA 1.408 57.712 56.400 -0.159 0.000 0.806 278 E CB -0.213 29.438 29.700 -0.081 0.000 0.750 278 E HN 0.684 nan 8.360 nan 0.000 0.458 279 D N 0.604 120.929 120.400 -0.124 0.000 2.363 279 D HA -0.002 4.637 4.640 -0.002 0.000 0.220 279 D C -0.060 176.162 176.300 -0.129 0.000 0.994 279 D CA 0.317 54.256 54.000 -0.102 0.000 0.890 279 D CB 0.141 40.888 40.800 -0.089 0.000 0.906 279 D HN -0.122 nan 8.370 nan 0.000 0.530 280 S N 0.284 115.886 115.700 -0.164 0.000 2.533 280 S HA 0.265 4.734 4.470 -0.002 0.000 0.282 280 S C -0.046 174.340 174.600 -0.356 0.000 1.304 280 S CA -0.428 57.613 58.200 -0.265 0.000 1.063 280 S CB 1.208 64.297 63.200 -0.185 0.000 0.881 280 S HN -0.071 nan 8.310 nan 0.000 0.493 281 V N 5.128 124.768 119.914 -0.457 0.000 2.409 281 V HA 0.389 4.508 4.120 -0.002 0.000 0.290 281 V C -1.134 174.670 176.094 -0.484 0.000 1.017 281 V CA -0.736 61.361 62.300 -0.339 0.000 0.841 281 V CB 0.486 32.218 31.823 -0.151 0.000 1.003 281 V HN 0.790 nan 8.190 nan 0.000 0.426 282 Y N 4.473 124.665 120.300 -0.180 0.000 2.496 282 Y HA 0.610 5.159 4.550 -0.002 0.000 0.331 282 Y C -2.059 173.697 175.900 -0.240 0.000 1.140 282 Y CA -3.029 54.843 58.100 -0.379 0.000 1.166 282 Y CB 0.761 38.950 38.460 -0.451 0.000 1.249 282 Y HN 0.428 nan 8.280 nan 0.000 0.479 283 P HA 0.078 nan 4.420 nan 0.000 0.269 283 P C -0.574 176.646 177.300 -0.133 0.000 1.215 283 P CA 0.040 63.086 63.100 -0.090 0.000 0.780 283 P CB 0.507 32.172 31.700 -0.057 0.000 0.898 284 M N 3.686 123.170 119.600 -0.194 0.000 2.228 284 M HA 0.260 4.739 4.480 -0.002 0.000 0.326 284 M C -1.756 174.352 176.300 -0.321 0.000 1.122 284 M CA -1.513 53.635 55.300 -0.253 0.000 1.161 284 M CB 0.174 32.604 32.600 -0.285 0.000 1.437 284 M HN 0.265 nan 8.290 nan 0.000 0.465 285 P HA 0.267 nan 4.420 nan 0.000 0.274 285 P C -1.253 175.804 177.300 -0.405 0.000 1.256 285 P CA -0.094 62.770 63.100 -0.393 0.000 0.795 285 P CB 0.753 32.168 31.700 -0.475 0.000 1.038 286 R N -0.675 119.511 120.500 -0.524 0.000 2.855 286 R HA 0.714 5.053 4.340 -0.002 0.000 0.266 286 R C -1.179 175.134 176.300 0.020 0.000 1.034 286 R CA -1.172 54.753 56.100 -0.293 0.000 0.944 286 R CB 1.870 31.898 30.300 -0.454 0.000 1.219 286 R HN 0.173 nan 8.270 nan 0.000 0.474 287 V N 2.680 122.626 119.914 0.055 0.000 2.531 287 V HA 0.317 4.436 4.120 -0.002 0.000 0.301 287 V C -0.154 176.033 176.094 0.155 0.000 1.034 287 V CA -0.910 61.471 62.300 0.135 0.000 0.865 287 V CB 1.893 33.778 31.823 0.103 0.000 0.995 287 V HN 0.535 nan 8.190 nan 0.000 0.424 288 I N 4.671 125.362 120.570 0.202 0.000 2.598 288 I HA 0.110 4.279 4.170 -0.002 0.000 0.284 288 I C 0.057 176.319 176.117 0.243 0.000 1.140 288 I CA 0.330 61.769 61.300 0.231 0.000 1.420 288 I CB 0.046 38.193 38.000 0.245 0.000 1.387 288 I HN 0.567 nan 8.210 nan 0.000 0.553 289 F N 7.815 127.841 119.950 0.127 0.000 2.427 289 F HA 0.448 4.974 4.527 -0.002 0.000 0.352 289 F C 0.272 176.153 175.800 0.136 0.000 1.100 289 F CA -0.339 57.745 58.000 0.140 0.000 1.191 289 F CB 0.492 39.566 39.000 0.124 0.000 1.128 289 F HN 0.466 nan 8.300 nan 0.000 0.533 290 R N 7.293 127.467 120.500 -0.543 0.000 2.512 290 R HA 0.332 4.671 4.340 -0.002 0.000 0.291 290 R C -0.508 175.354 176.300 -0.729 0.000 1.097 290 R CA -0.309 55.500 56.100 -0.486 0.000 0.940 290 R CB 1.086 31.237 30.300 -0.248 0.000 1.198 290 R HN 0.861 nan 8.270 nan 0.000 0.429 291 M N 1.066 120.208 119.600 -0.763 0.000 2.188 291 M HA 0.491 4.970 4.480 -0.002 0.000 0.310 291 M C -1.037 174.906 176.300 -0.595 0.000 0.993 291 M CA -0.010 54.856 55.300 -0.723 0.000 1.127 291 M CB 0.805 32.960 32.600 -0.742 0.000 1.927 291 M HN 0.175 nan 8.290 nan 0.000 0.655 292 F N 2.553 122.307 119.950 -0.327 0.000 2.541 292 F HA 0.736 5.262 4.527 -0.001 0.000 0.331 292 F C -0.289 175.347 175.800 -0.273 0.000 1.057 292 F CA -1.273 56.617 58.000 -0.184 0.000 0.975 292 F CB 1.203 40.189 39.000 -0.023 0.000 1.246 292 F HN 0.264 nan 8.300 nan 0.000 0.484 293 D N -1.264 119.197 120.400 0.102 0.000 2.639 293 D HA 0.116 4.755 4.640 -0.002 0.000 0.271 293 D C 0.151 176.414 176.300 -0.063 0.000 1.254 293 D CA -0.734 53.289 54.000 0.039 0.000 0.810 293 D CB -0.015 40.850 40.800 0.109 0.000 1.351 293 D HN 0.467 nan 8.370 nan 0.000 0.427 294 Y N -0.514 119.744 120.300 -0.070 0.000 2.298 294 Y HA -0.135 4.413 4.550 -0.002 0.000 0.287 294 Y C 1.954 177.777 175.900 -0.129 0.000 1.164 294 Y CA 2.111 60.137 58.100 -0.124 0.000 1.229 294 Y CB -1.399 37.012 38.460 -0.081 0.000 0.977 294 Y HN 0.440 nan 8.280 nan 0.000 0.538 295 T N -3.267 110.751 114.554 -0.893 0.000 3.035 295 T HA -0.120 4.228 4.350 -0.002 0.000 0.268 295 T C 1.221 175.743 174.700 -0.297 0.000 1.109 295 T CA 1.082 62.808 62.100 -0.624 0.000 1.119 295 T CB -0.451 68.067 68.868 -0.584 0.000 0.900 295 T HN 0.432 nan 8.240 nan 0.000 0.503 296 D N 1.499 121.750 120.400 -0.250 0.000 2.347 296 D HA 0.034 4.673 4.640 -0.002 0.000 0.215 296 D C 0.346 176.470 176.300 -0.292 0.000 0.976 296 D CA 0.835 54.739 54.000 -0.160 0.000 0.884 296 D CB 0.037 40.828 40.800 -0.015 0.000 0.915 296 D HN 0.543 nan 8.370 nan 0.000 0.526 297 D N -0.412 119.736 120.400 -0.420 0.000 2.849 297 D HA 0.084 4.723 4.640 -0.002 0.000 0.314 297 D C -1.615 174.556 176.300 -0.215 0.000 1.210 297 D CA -1.374 52.362 54.000 -0.440 0.000 0.756 297 D CB 1.027 41.221 40.800 -1.011 0.000 1.222 297 D HN -0.145 nan 8.370 nan 0.000 0.521 298 P HA -0.152 nan 4.420 nan 0.000 0.216 298 P C 0.392 177.679 177.300 -0.021 0.000 1.150 298 P CA 0.930 64.004 63.100 -0.043 0.000 0.843 298 P CB 0.451 32.129 31.700 -0.036 0.000 0.787 299 E N 0.319 120.503 120.200 -0.027 0.000 2.368 299 E HA 0.475 4.824 4.350 -0.002 0.000 0.283 299 E C 0.386 176.979 176.600 -0.011 0.000 1.476 299 E CA -0.228 56.166 56.400 -0.009 0.000 1.786 299 E CB -0.428 29.273 29.700 0.001 0.000 1.518 299 E HN 0.282 nan 8.360 nan 0.000 0.456 300 G N 0.075 108.860 108.800 -0.025 0.000 2.600 300 G HA2 0.423 4.382 3.960 -0.002 0.000 0.293 300 G HA3 0.423 4.382 3.960 -0.002 0.000 0.293 300 G C -2.788 172.099 174.900 -0.023 0.000 1.408 300 G CA -1.298 43.789 45.100 -0.022 0.000 0.782 300 G HN -0.058 nan 8.290 nan 0.000 0.482 301 P HA 0.223 nan 4.420 nan 0.000 0.261 301 P C 0.342 177.636 177.300 -0.010 0.000 1.183 301 P CA -0.287 62.816 63.100 0.005 0.000 0.761 301 P CB 0.698 32.418 31.700 0.034 0.000 0.785 302 V N 5.026 124.937 119.914 -0.005 0.000 2.644 302 V HA -0.110 4.008 4.120 -0.002 0.000 0.305 302 V C 0.945 177.049 176.094 0.016 0.000 1.053 302 V CA 0.527 62.824 62.300 -0.005 0.000 1.186 302 V CB -0.058 31.728 31.823 -0.062 0.000 0.895 302 V HN 0.609 nan 8.190 nan 0.000 0.490 303 M N 8.198 127.822 119.600 0.040 0.000 2.146 303 M HA 0.312 4.791 4.480 -0.002 0.000 0.352 303 M C -2.298 174.061 176.300 0.098 0.000 1.343 303 M CA -1.538 53.797 55.300 0.058 0.000 1.115 303 M CB 1.007 33.593 32.600 -0.023 0.000 1.657 303 M HN 0.399 nan 8.290 nan 0.000 0.471 304 P HA 0.044 nan 4.420 nan 0.000 0.262 304 P C -0.137 177.218 177.300 0.091 0.000 1.182 304 P CA 0.179 63.322 63.100 0.072 0.000 0.761 304 P CB 0.404 32.133 31.700 0.049 0.000 0.795 305 G N 1.983 110.818 108.800 0.059 0.000 2.732 305 G HA2 -0.003 3.956 3.960 -0.002 0.000 0.244 305 G HA3 -0.003 3.956 3.960 -0.002 0.000 0.244 305 G C 1.118 176.064 174.900 0.077 0.000 1.226 305 G CA -0.328 44.813 45.100 0.067 0.000 0.860 305 G HN 0.409 nan 8.290 nan 0.000 0.583 306 S N -0.734 114.996 115.700 0.051 0.000 2.399 306 S HA -0.100 4.369 4.470 -0.002 0.000 0.231 306 S C 1.358 176.076 174.600 0.196 0.000 1.022 306 S CA 1.017 59.261 58.200 0.073 0.000 0.983 306 S CB -0.212 62.973 63.200 -0.026 0.000 0.803 306 S HN 0.667 nan 8.310 nan 0.000 0.480 307 H N 0.927 120.008 119.070 0.019 0.000 2.550 307 H HA 0.287 4.842 4.556 -0.002 0.000 0.304 307 H C 0.160 175.459 175.328 -0.049 0.000 1.086 307 H CA -0.551 55.486 56.048 -0.017 0.000 1.089 307 H CB 0.204 29.944 29.762 -0.036 0.000 1.528 307 H HN 0.291 nan 8.280 nan 0.000 0.539 308 S N -0.129 115.624 115.700 0.087 0.000 2.578 308 S HA 0.154 4.623 4.470 -0.002 0.000 0.301 308 S C 1.436 176.048 174.600 0.019 0.000 1.091 308 S CA -0.666 57.542 58.200 0.013 0.000 1.032 308 S CB 1.953 65.159 63.200 0.010 0.000 1.064 308 S HN 0.139 nan 8.310 nan 0.000 0.508 309 V N -0.764 119.133 119.914 -0.029 0.000 2.809 309 V HA 0.017 4.136 4.120 -0.002 0.000 0.256 309 V C 1.803 177.934 176.094 0.062 0.000 1.080 309 V CA 1.357 63.659 62.300 0.004 0.000 1.102 309 V CB -1.365 30.412 31.823 -0.077 0.000 0.705 309 V HN 0.790 nan 8.190 nan 0.000 0.475 310 E N 1.135 121.341 120.200 0.009 0.000 2.051 310 E HA -0.157 4.192 4.350 -0.002 0.000 0.192 310 E C 2.280 178.830 176.600 -0.084 0.000 0.991 310 E CA 1.580 57.955 56.400 -0.042 0.000 0.799 310 E CB -0.495 29.174 29.700 -0.052 0.000 0.748 310 E HN 0.529 nan 8.360 nan 0.000 0.449 311 R N 0.068 120.564 120.500 -0.006 0.000 2.091 311 R HA -0.133 4.206 4.340 -0.002 0.000 0.238 311 R C 2.016 178.359 176.300 0.071 0.000 1.136 311 R CA 1.294 57.403 56.100 0.016 0.000 0.959 311 R CB -0.846 29.519 30.300 0.108 0.000 0.856 311 R HN 0.294 nan 8.270 nan 0.000 0.437 312 F N -0.365 119.594 119.950 0.015 0.000 2.102 312 F HA -0.125 4.400 4.527 -0.002 0.000 0.298 312 F C 1.859 177.718 175.800 0.099 0.000 1.105 312 F CA 1.506 59.553 58.000 0.078 0.000 1.239 312 F CB -0.402 38.642 39.000 0.073 0.000 0.991 312 F HN -0.136 nan 8.300 nan 0.000 0.474 313 V N 0.913 120.871 119.914 0.074 0.000 2.358 313 V HA -0.297 3.822 4.120 -0.002 0.000 0.246 313 V C 2.421 178.527 176.094 0.021 0.000 1.047 313 V CA 2.062 64.392 62.300 0.051 0.000 1.035 313 V CB -0.604 31.288 31.823 0.114 0.000 0.658 313 V HN 0.376 nan 8.190 nan 0.000 0.452 314 I N -0.016 120.484 120.570 -0.117 0.000 2.099 314 I HA -0.280 3.889 4.170 -0.002 0.000 0.239 314 I C 2.593 178.561 176.117 -0.249 0.000 1.066 314 I CA 1.933 63.097 61.300 -0.226 0.000 1.324 314 I CB -0.518 37.180 38.000 -0.504 0.000 1.037 314 I HN 0.369 nan 8.210 nan 0.000 0.401 315 E N 0.303 120.393 120.200 -0.184 0.000 2.118 315 E HA -0.296 4.052 4.350 -0.002 0.000 0.195 315 E C 2.011 178.592 176.600 -0.032 0.000 0.992 315 E CA 1.425 57.755 56.400 -0.118 0.000 0.804 315 E CB -0.150 29.570 29.700 0.033 0.000 0.741 315 E HN 0.407 nan 8.360 nan 0.000 0.458 316 E N 1.394 121.547 120.200 -0.079 0.000 2.051 316 E HA -0.186 4.163 4.350 -0.002 0.000 0.192 316 E C 1.734 178.384 176.600 0.084 0.000 0.991 316 E CA 1.416 57.812 56.400 -0.007 0.000 0.799 316 E CB -0.051 29.530 29.700 -0.198 0.000 0.748 316 E HN 0.107 nan 8.360 nan 0.000 0.449 317 N N -0.041 118.689 118.700 0.049 0.000 2.188 317 N HA -0.088 4.651 4.740 -0.002 0.000 0.184 317 N C 1.874 177.352 175.510 -0.055 0.000 1.018 317 N CA 1.016 54.110 53.050 0.073 0.000 0.858 317 N CB -0.226 38.391 38.487 0.217 0.000 0.989 317 N HN 0.247 nan 8.380 nan 0.000 0.426 318 L N 0.269 121.351 121.223 -0.235 0.000 2.093 318 L HA -0.145 4.194 4.340 -0.002 0.000 0.208 318 L C 2.233 179.046 176.870 -0.095 0.000 1.085 318 L CA 0.991 55.683 54.840 -0.247 0.000 0.755 318 L CB -0.518 41.332 42.059 -0.348 0.000 0.904 318 L HN 0.284 nan 8.230 nan 0.000 0.435 319 H N -0.800 118.267 119.070 -0.004 0.000 2.387 319 H HA -0.149 4.406 4.556 -0.002 0.000 0.299 319 H C 2.443 177.826 175.328 0.092 0.000 1.090 319 H CA 1.763 57.843 56.048 0.053 0.000 1.332 319 H CB -0.210 29.580 29.762 0.045 0.000 1.386 319 H HN 0.423 nan 8.280 nan 0.000 0.516 320 C N 0.375 119.790 119.300 0.192 0.000 2.440 320 C HA -0.047 4.412 4.460 -0.002 0.000 0.278 320 C C 2.997 178.060 174.990 0.122 0.000 1.295 320 C CA 0.154 59.249 59.018 0.129 0.000 1.738 320 C CB -0.988 26.781 27.740 0.049 0.000 1.987 320 C HN 0.436 nan 8.230 nan 0.000 0.492 321 I N 0.875 121.523 120.570 0.129 0.000 2.226 321 I HA -0.206 3.963 4.170 -0.002 0.000 0.245 321 I C 2.262 178.507 176.117 0.213 0.000 1.100 321 I CA 1.741 63.153 61.300 0.186 0.000 1.374 321 I CB -0.328 37.770 38.000 0.163 0.000 1.057 321 I HN 0.310 nan 8.210 nan 0.000 0.413 322 I N 0.636 121.315 120.570 0.181 0.000 2.394 322 I HA -0.285 3.884 4.170 -0.002 0.000 0.251 322 I C 2.565 178.808 176.117 0.210 0.000 1.136 322 I CA 1.199 62.614 61.300 0.192 0.000 1.425 322 I CB -0.401 37.730 38.000 0.219 0.000 1.079 322 I HN 0.226 nan 8.210 nan 0.000 0.425 323 K N 0.960 121.514 120.400 0.257 0.000 2.148 323 K HA -0.123 4.196 4.320 -0.002 0.000 0.204 323 K C 2.086 178.828 176.600 0.238 0.000 1.050 323 K CA 1.537 57.995 56.287 0.286 0.000 0.942 323 K CB 0.091 32.732 32.500 0.234 0.000 0.724 323 K HN 0.130 nan 8.250 nan 0.000 0.446 324 S N -0.375 115.357 115.700 0.053 0.000 2.446 324 S HA 0.006 4.475 4.470 -0.002 0.000 0.225 324 S C 0.715 175.044 174.600 -0.452 0.000 1.016 324 S CA 0.359 58.428 58.200 -0.218 0.000 0.943 324 S CB 0.011 62.958 63.200 -0.422 0.000 0.786 324 S HN 0.422 nan 8.310 nan 0.000 0.508 325 H N -0.138 118.974 119.070 0.070 0.000 2.567 325 H HA 0.114 4.669 4.556 -0.002 0.000 0.267 325 H C 1.176 176.453 175.328 -0.086 0.000 1.148 325 H CA -0.341 55.687 56.048 -0.034 0.000 1.031 325 H CB -0.298 29.457 29.762 -0.012 0.000 1.691 325 H HN 0.607 nan 8.280 nan 0.000 0.588 326 W N 2.161 123.372 121.300 -0.148 0.000 2.364 326 W HA -0.088 4.571 4.660 -0.002 0.000 0.281 326 W C 0.707 177.114 176.519 -0.186 0.000 1.219 326 W CA 0.365 57.537 57.345 -0.289 0.000 1.220 326 W CB -0.460 28.578 29.460 -0.705 0.000 1.127 326 W HN 0.029 nan 8.180 nan 0.000 0.556 327 K N 0.562 120.423 120.400 -0.899 0.000 2.228 327 K HA -0.039 4.280 4.320 -0.002 0.000 0.202 327 K C 0.442 176.835 176.600 -0.345 0.000 1.051 327 K CA 0.842 56.638 56.287 -0.818 0.000 0.960 327 K CB -0.088 31.823 32.500 -0.981 0.000 0.743 327 K HN 0.003 nan 8.250 nan 0.000 0.458 328 E N 1.906 121.976 120.200 -0.217 0.000 2.103 328 E HA 0.033 4.382 4.350 -0.002 0.000 0.254 328 E C 0.644 177.209 176.600 -0.060 0.000 0.940 328 E CA -0.136 56.200 56.400 -0.106 0.000 0.771 328 E CB 1.062 30.725 29.700 -0.060 0.000 1.153 328 E HN 0.267 nan 8.360 nan 0.000 0.428 329 R N 2.481 122.949 120.500 -0.053 0.000 2.105 329 R HA -0.181 4.158 4.340 -0.002 0.000 0.239 329 R C 1.657 177.947 176.300 -0.017 0.000 1.135 329 R CA 1.313 57.398 56.100 -0.025 0.000 0.967 329 R CB -0.072 30.220 30.300 -0.013 0.000 0.861 329 R HN 0.122 nan 8.270 nan 0.000 0.442 330 K N 0.438 120.824 120.400 -0.024 0.000 2.062 330 K HA -0.035 4.283 4.320 -0.002 0.000 0.205 330 K C 1.752 178.329 176.600 -0.039 0.000 1.051 330 K CA 1.726 58.000 56.287 -0.022 0.000 0.941 330 K CB 0.085 32.572 32.500 -0.021 0.000 0.719 330 K HN 0.183 nan 8.250 nan 0.000 0.440 331 T N 0.276 114.795 114.554 -0.058 0.000 2.821 331 T HA -0.152 4.197 4.350 -0.002 0.000 0.267 331 T C 1.901 176.509 174.700 -0.154 0.000 1.046 331 T CA 1.104 63.135 62.100 -0.114 0.000 1.139 331 T CB -0.413 68.381 68.868 -0.124 0.000 0.871 331 T HN 0.378 nan 8.240 nan 0.000 0.454 332 C N 1.642 120.902 119.300 -0.066 0.000 2.432 332 C HA 0.091 4.550 4.460 -0.002 0.000 0.277 332 C C 3.149 178.132 174.990 -0.013 0.000 1.249 332 C CA 0.803 59.816 59.018 -0.008 0.000 1.725 332 C CB -1.364 26.405 27.740 0.048 0.000 2.028 332 C HN 0.611 nan 8.230 nan 0.000 0.477 333 A N -0.075 122.740 122.820 -0.008 0.000 1.972 333 A HA 0.115 4.433 4.320 -0.002 0.000 0.219 333 A C 2.358 179.942 177.584 -0.001 0.000 1.169 333 A CA 2.064 54.104 52.037 0.005 0.000 0.635 333 A CB -0.884 18.124 19.000 0.013 0.000 0.810 333 A HN 0.772 nan 8.150 nan 0.000 0.446 334 A N -1.319 121.485 122.820 -0.026 0.000 1.929 334 A HA -0.110 4.209 4.320 -0.002 0.000 0.216 334 A C 2.124 179.694 177.584 -0.024 0.000 1.176 334 A CA 1.386 53.408 52.037 -0.026 0.000 0.628 334 A CB -0.342 18.631 19.000 -0.045 0.000 0.816 334 A HN 0.480 nan 8.150 nan 0.000 0.444 335 Q N -0.280 119.484 119.800 -0.061 0.000 2.123 335 Q HA -0.019 4.320 4.340 -0.002 0.000 0.199 335 Q C 2.156 178.193 176.000 0.063 0.000 0.966 335 Q CA 1.027 56.811 55.803 -0.031 0.000 0.845 335 Q CB -0.351 28.313 28.738 -0.124 0.000 0.907 335 Q HN 0.713 nan 8.270 nan 0.000 0.439 336 L N -0.217 121.036 121.223 0.051 0.000 2.046 336 L HA -0.150 4.189 4.340 -0.002 0.000 0.208 336 L C 2.372 179.304 176.870 0.103 0.000 1.077 336 L CA 0.781 55.660 54.840 0.065 0.000 0.747 336 L CB -0.452 41.626 42.059 0.031 0.000 0.896 336 L HN 0.000 nan 8.230 nan 0.000 0.432 337 V N -0.592 119.368 119.914 0.077 0.000 2.667 337 V HA -0.163 3.955 4.120 -0.002 0.000 0.252 337 V C 2.139 178.293 176.094 0.100 0.000 1.065 337 V CA 1.742 64.092 62.300 0.084 0.000 1.083 337 V CB -0.278 31.576 31.823 0.052 0.000 0.692 337 V HN 0.597 nan 8.190 nan 0.000 0.468 338 S N -1.596 114.161 115.700 0.096 0.000 2.614 338 S HA 0.116 4.585 4.470 -0.002 0.000 0.230 338 S C 0.407 175.076 174.600 0.114 0.000 0.952 338 S CA -0.445 57.803 58.200 0.080 0.000 0.949 338 S CB -0.634 62.591 63.200 0.041 0.000 0.786 338 S HN 0.501 nan 8.310 nan 0.000 0.478 339 Y N 5.473 125.800 120.300 0.045 0.000 2.745 339 Y HA 0.286 4.835 4.550 -0.002 0.000 0.335 339 Y C -1.938 174.001 175.900 0.065 0.000 1.212 339 Y CA -2.389 55.748 58.100 0.062 0.000 1.535 339 Y CB 0.145 38.653 38.460 0.080 0.000 1.220 339 Y HN 0.256 nan 8.280 nan 0.000 0.531 340 P HA 0.588 nan 4.420 nan 0.000 0.278 340 P C -0.696 176.242 177.300 -0.604 0.000 1.258 340 P CA -0.388 62.471 63.100 -0.402 0.000 0.811 340 P CB 1.991 33.531 31.700 -0.266 0.000 1.063 341 G N 0.060 108.660 108.800 -0.333 0.000 2.673 341 G HA2 0.207 4.166 3.960 -0.002 0.000 0.292 341 G HA3 0.207 4.166 3.960 -0.002 0.000 0.292 341 G C 0.129 174.901 174.900 -0.213 0.000 1.450 341 G CA -0.454 44.445 45.100 -0.334 0.000 0.837 341 G HN 0.404 nan 8.290 nan 0.000 0.505 342 K N -0.529 119.728 120.400 -0.237 0.000 2.097 342 K HA 0.030 4.349 4.320 -0.002 0.000 0.205 342 K C 0.354 176.926 176.600 -0.047 0.000 1.050 342 K CA 0.819 57.028 56.287 -0.130 0.000 0.938 342 K CB -0.034 32.391 32.500 -0.125 0.000 0.718 342 K HN 0.490 nan 8.250 nan 0.000 0.442 343 N N 0.374 119.082 118.700 0.014 0.000 2.469 343 N HA 0.143 4.882 4.740 -0.002 0.000 0.286 343 N C -0.969 174.585 175.510 0.073 0.000 1.275 343 N CA -0.586 52.488 53.050 0.040 0.000 0.790 343 N CB 1.536 40.052 38.487 0.048 0.000 1.446 343 N HN -0.169 nan 8.380 nan 0.000 0.501 344 K N 1.440 121.875 120.400 0.058 0.000 2.295 344 K HA 0.384 4.703 4.320 -0.002 0.000 0.270 344 K C 0.179 176.840 176.600 0.102 0.000 1.011 344 K CA 0.028 56.358 56.287 0.072 0.000 0.953 344 K CB 0.450 32.978 32.500 0.048 0.000 0.956 344 K HN 0.594 nan 8.250 nan 0.000 0.477 345 I N -1.480 119.173 120.570 0.138 0.000 3.006 345 I HA 0.363 4.532 4.170 -0.002 0.000 0.306 345 I C -2.563 173.666 176.117 0.187 0.000 1.250 345 I CA -2.607 58.806 61.300 0.189 0.000 0.996 345 I CB 2.763 40.922 38.000 0.265 0.000 1.261 345 I HN 0.257 nan 8.210 nan 0.000 0.442 346 P HA 0.076 nan 4.420 nan 0.000 0.235 346 P C 0.796 178.175 177.300 0.132 0.000 1.765 346 P CA -0.222 62.913 63.100 0.059 0.000 1.034 346 P CB 0.533 32.144 31.700 -0.147 0.000 1.984 347 L N 2.793 124.158 121.223 0.236 0.000 2.051 347 L HA -0.248 4.091 4.340 -0.002 0.000 0.214 347 L C 1.954 178.923 176.870 0.166 0.000 1.076 347 L CA 2.004 57.004 54.840 0.267 0.000 0.758 347 L CB -1.062 41.134 42.059 0.228 0.000 0.890 347 L HN 0.123 nan 8.230 nan 0.000 0.433 348 N N -1.352 117.406 118.700 0.097 0.000 2.094 348 N HA -0.250 4.489 4.740 -0.002 0.000 0.191 348 N C 1.853 177.304 175.510 -0.097 0.000 1.023 348 N CA 1.911 54.952 53.050 -0.015 0.000 0.857 348 N CB -0.456 37.975 38.487 -0.093 0.000 1.013 348 N HN 0.481 nan 8.380 nan 0.000 0.426 349 Y N 0.785 120.990 120.300 -0.159 0.000 2.200 349 Y HA -0.086 4.463 4.550 -0.002 0.000 0.290 349 Y C 2.568 178.451 175.900 -0.028 0.000 1.137 349 Y CA 1.092 59.016 58.100 -0.293 0.000 1.163 349 Y CB -0.485 37.569 38.460 -0.677 0.000 0.988 349 Y HN 0.253 nan 8.280 nan 0.000 0.518 350 H N -0.475 118.712 119.070 0.197 0.000 2.353 350 H HA -0.128 4.427 4.556 -0.002 0.000 0.300 350 H C 2.390 177.763 175.328 0.075 0.000 1.090 350 H CA 1.791 57.924 56.048 0.141 0.000 1.327 350 H CB -0.488 29.312 29.762 0.063 0.000 1.383 350 H HN 0.354 nan 8.280 nan 0.000 0.508 351 I N 0.003 120.666 120.570 0.155 0.000 2.252 351 I HA -0.213 3.956 4.170 -0.002 0.000 0.245 351 I C 2.499 178.627 176.117 0.019 0.000 1.102 351 I CA 0.699 62.025 61.300 0.044 0.000 1.385 351 I CB -0.173 37.843 38.000 0.027 0.000 1.064 351 I HN -0.002 nan 8.210 nan 0.000 0.414 352 V N 0.683 120.638 119.914 0.069 0.000 2.358 352 V HA -0.290 3.829 4.120 -0.002 0.000 0.246 352 V C 2.469 178.665 176.094 0.170 0.000 1.047 352 V CA 2.105 64.443 62.300 0.062 0.000 1.035 352 V CB -0.597 31.339 31.823 0.188 0.000 0.658 352 V HN 0.478 nan 8.190 nan 0.000 0.452 353 E N -0.081 120.348 120.200 0.382 0.000 2.110 353 E HA -0.182 4.167 4.350 -0.002 0.000 0.193 353 E C 2.192 178.923 176.600 0.218 0.000 0.988 353 E CA 1.414 58.068 56.400 0.423 0.000 0.804 353 E CB 0.008 30.026 29.700 0.530 0.000 0.745 353 E HN 0.396 nan 8.360 nan 0.000 0.458 354 V N 1.059 121.012 119.914 0.065 0.000 2.427 354 V HA -0.240 3.879 4.120 -0.002 0.000 0.248 354 V C 2.267 178.231 176.094 -0.216 0.000 1.051 354 V CA 1.453 63.668 62.300 -0.143 0.000 1.048 354 V CB -0.298 31.327 31.823 -0.331 0.000 0.666 354 V HN 0.351 nan 8.190 nan 0.000 0.456 355 I N -1.176 119.245 120.570 -0.247 0.000 2.252 355 I HA -0.218 3.951 4.170 -0.002 0.000 0.245 355 I C 2.229 177.912 176.117 -0.724 0.000 1.102 355 I CA 1.647 62.704 61.300 -0.404 0.000 1.385 355 I CB -0.324 37.424 38.000 -0.420 0.000 1.064 355 I HN 0.228 nan 8.210 nan 0.000 0.414 356 F N 0.864 120.452 119.950 -0.602 0.000 2.259 356 F HA -0.100 4.426 4.527 -0.002 0.000 0.298 356 F C 2.572 177.604 175.800 -1.279 0.000 1.088 356 F CA 1.002 58.420 58.000 -0.970 0.000 1.358 356 F CB -0.972 37.681 39.000 -0.579 0.000 1.040 356 F HN -0.013 nan 8.300 nan 0.000 0.505 357 A N -0.148 122.110 122.820 -0.937 0.000 1.908 357 A HA -0.216 4.103 4.320 -0.002 0.000 0.218 357 A C 2.200 179.487 177.584 -0.495 0.000 1.181 357 A CA 1.957 53.478 52.037 -0.859 0.000 0.627 357 A CB -0.679 18.281 19.000 -0.066 0.000 0.818 357 A HN 0.424 nan 8.150 nan 0.000 0.445 358 E N -0.962 118.977 120.200 -0.434 0.000 2.028 358 E HA -0.132 4.217 4.350 -0.002 0.000 0.190 358 E C 2.013 178.208 176.600 -0.675 0.000 0.984 358 E CA 1.054 57.195 56.400 -0.431 0.000 0.800 358 E CB -0.283 29.232 29.700 -0.309 0.000 0.758 358 E HN 0.484 nan 8.360 nan 0.000 0.448 359 L N 0.519 121.094 121.223 -1.081 0.000 2.043 359 L HA -0.185 4.154 4.340 -0.002 0.000 0.212 359 L C 1.681 178.188 176.870 -0.605 0.000 1.075 359 L CA 1.741 55.992 54.840 -0.982 0.000 0.752 359 L CB -0.298 41.059 42.059 -1.171 0.000 0.891 359 L HN 0.027 nan 8.230 nan 0.000 0.432 360 F N -0.548 119.163 119.950 -0.398 0.000 2.797 360 F HA 0.223 4.749 4.527 -0.002 0.000 0.302 360 F C 1.250 176.889 175.800 -0.269 0.000 1.130 360 F CA -0.513 57.291 58.000 -0.327 0.000 1.387 360 F CB -1.280 37.466 39.000 -0.423 0.000 1.107 360 F HN 0.222 nan 8.300 nan 0.000 0.577 361 Q N 1.969 121.681 119.800 -0.147 0.000 2.286 361 Q HA 0.175 4.514 4.340 -0.002 0.000 0.290 361 Q C -0.897 175.056 176.000 -0.079 0.000 1.049 361 Q CA 0.269 56.004 55.803 -0.114 0.000 0.923 361 Q CB 0.507 29.150 28.738 -0.158 0.000 1.183 361 Q HN 0.354 nan 8.270 nan 0.000 0.383 362 L N 6.338 127.522 121.223 -0.065 0.000 2.317 362 L HA 0.330 4.669 4.340 -0.002 0.000 0.281 362 L C -1.764 175.058 176.870 -0.079 0.000 1.024 362 L CA -2.232 52.573 54.840 -0.058 0.000 0.810 362 L CB 1.538 43.568 42.059 -0.047 0.000 1.240 362 L HN 0.671 nan 8.230 nan 0.000 0.427 363 P HA -0.034 nan 4.420 nan 0.000 0.216 363 P C -0.221 177.065 177.300 -0.024 0.000 1.153 363 P CA 0.738 63.821 63.100 -0.030 0.000 0.848 363 P CB 0.386 32.083 31.700 -0.004 0.000 0.787 364 A N -2.192 120.603 122.820 -0.041 0.000 2.587 364 A HA 0.647 4.966 4.320 -0.002 0.000 0.293 364 A C -2.964 174.570 177.584 -0.083 0.000 1.087 364 A CA -1.762 50.247 52.037 -0.047 0.000 0.692 364 A CB 0.510 19.495 19.000 -0.026 0.000 1.291 364 A HN -0.217 nan 8.150 nan 0.000 0.407 365 P HA 0.292 nan 4.420 nan 0.000 0.272 365 P C -2.002 175.214 177.300 -0.140 0.000 1.223 365 P CA -0.938 62.101 63.100 -0.101 0.000 0.784 365 P CB 0.333 32.025 31.700 -0.014 0.000 0.923 366 P HA -0.098 nan 4.420 nan 0.000 0.218 366 P C -0.040 176.796 177.300 -0.774 0.000 1.149 366 P CA 1.652 64.436 63.100 -0.527 0.000 0.817 366 P CB 0.070 31.370 31.700 -0.665 0.000 0.785 367 H N -2.464 116.564 119.070 -0.070 0.000 2.907 367 H HA 0.288 4.843 4.556 -0.002 0.000 0.361 367 H C 0.020 175.301 175.328 -0.077 0.000 1.194 367 H CA -1.549 54.346 56.048 -0.255 0.000 1.152 367 H CB 0.778 30.290 29.762 -0.418 0.000 1.867 367 H HN -0.153 nan 8.280 nan 0.000 0.561 368 I N 1.847 122.429 120.570 0.021 0.000 2.826 368 I HA -0.200 3.969 4.170 -0.002 0.000 0.295 368 I C 0.456 176.655 176.117 0.137 0.000 1.213 368 I CA 0.122 61.470 61.300 0.079 0.000 1.436 368 I CB 0.327 38.382 38.000 0.092 0.000 1.348 368 I HN 0.470 nan 8.210 nan 0.000 0.570 369 D N 5.202 125.726 120.400 0.206 0.000 2.154 369 D HA -0.237 4.402 4.640 -0.002 0.000 0.190 369 D C 1.918 178.410 176.300 0.320 0.000 1.003 369 D CA 1.541 55.727 54.000 0.310 0.000 0.849 369 D CB -0.236 40.709 40.800 0.241 0.000 0.942 369 D HN 0.490 nan 8.370 nan 0.000 0.446 370 V N 0.745 120.805 119.914 0.243 0.000 2.828 370 V HA -0.209 3.910 4.120 -0.002 0.000 0.260 370 V C 1.932 178.137 176.094 0.186 0.000 1.101 370 V CA 1.173 63.632 62.300 0.265 0.000 1.123 370 V CB -0.307 31.656 31.823 0.234 0.000 0.704 370 V HN 0.236 nan 8.190 nan 0.000 0.493 371 M N -0.722 118.911 119.600 0.055 0.000 2.159 371 M HA -0.174 4.305 4.480 -0.002 0.000 0.263 371 M C 2.040 178.255 176.300 -0.143 0.000 1.063 371 M CA 2.120 57.371 55.300 -0.081 0.000 1.110 371 M CB -0.763 31.716 32.600 -0.202 0.000 1.374 371 M HN 0.544 nan 8.290 nan 0.000 0.411 372 Y N 0.302 120.650 120.300 0.079 0.000 2.242 372 Y HA -0.110 4.439 4.550 -0.002 0.000 0.291 372 Y C 2.544 178.477 175.900 0.055 0.000 1.137 372 Y CA 1.872 59.965 58.100 -0.013 0.000 1.181 372 Y CB -1.386 36.984 38.460 -0.149 0.000 0.989 372 Y HN 0.250 nan 8.280 nan 0.000 0.527 373 T N -0.798 113.963 114.554 0.344 0.000 2.652 373 T HA -0.219 4.130 4.350 -0.002 0.000 0.267 373 T C 2.129 176.982 174.700 0.255 0.000 1.039 373 T CA 2.287 64.649 62.100 0.437 0.000 1.153 373 T CB -0.671 68.429 68.868 0.386 0.000 0.863 373 T HN 0.604 nan 8.240 nan 0.000 0.428 374 T N 0.822 115.463 114.554 0.145 0.000 2.904 374 T HA 0.025 4.373 4.350 -0.002 0.000 0.267 374 T C 1.985 176.740 174.700 0.091 0.000 1.059 374 T CA 0.697 62.851 62.100 0.090 0.000 1.137 374 T CB -0.486 68.417 68.868 0.058 0.000 0.879 374 T HN 0.166 nan 8.240 nan 0.000 0.467 375 L N 0.853 122.121 121.223 0.076 0.000 2.046 375 L HA 0.215 4.554 4.340 -0.002 0.000 0.208 375 L C 2.360 179.277 176.870 0.079 0.000 1.077 375 L CA 1.503 56.374 54.840 0.052 0.000 0.747 375 L CB -0.854 41.217 42.059 0.019 0.000 0.896 375 L HN 0.308 nan 8.230 nan 0.000 0.432 376 L N -0.925 120.365 121.223 0.113 0.000 2.083 376 L HA -0.225 4.114 4.340 -0.002 0.000 0.209 376 L C 2.464 179.459 176.870 0.209 0.000 1.083 376 L CA 0.730 55.649 54.840 0.132 0.000 0.752 376 L CB -0.514 41.644 42.059 0.165 0.000 0.899 376 L HN 0.308 nan 8.230 nan 0.000 0.433 377 I N -0.417 120.304 120.570 0.253 0.000 2.252 377 I HA -0.217 3.952 4.170 -0.002 0.000 0.245 377 I C 2.559 178.779 176.117 0.173 0.000 1.102 377 I CA 1.287 62.752 61.300 0.275 0.000 1.385 377 I CB -1.161 36.960 38.000 0.201 0.000 1.064 377 I HN 0.294 nan 8.210 nan 0.000 0.414 378 E N 0.935 121.201 120.200 0.111 0.000 2.118 378 E HA -0.162 4.187 4.350 -0.002 0.000 0.195 378 E C 2.441 179.082 176.600 0.068 0.000 0.992 378 E CA 0.979 57.422 56.400 0.071 0.000 0.804 378 E CB -0.336 29.391 29.700 0.044 0.000 0.741 378 E HN 0.482 nan 8.360 nan 0.000 0.458 379 L N -0.023 121.242 121.223 0.071 0.000 2.093 379 L HA -0.174 4.165 4.340 -0.002 0.000 0.208 379 L C 2.671 179.580 176.870 0.064 0.000 1.085 379 L CA 0.762 55.636 54.840 0.055 0.000 0.755 379 L CB -0.357 41.727 42.059 0.042 0.000 0.904 379 L HN 0.158 nan 8.230 nan 0.000 0.435 380 C N 0.026 119.383 119.300 0.096 0.000 2.422 380 C HA -0.143 4.316 4.460 -0.002 0.000 0.279 380 C C 2.673 177.713 174.990 0.082 0.000 1.305 380 C CA 0.768 59.842 59.018 0.092 0.000 1.757 380 C CB -0.750 27.069 27.740 0.132 0.000 1.962 380 C HN 0.420 nan 8.230 nan 0.000 0.499 381 K N -0.173 120.281 120.400 0.088 0.000 2.366 381 K HA -0.002 4.317 4.320 -0.002 0.000 0.198 381 K C 1.569 178.197 176.600 0.047 0.000 1.044 381 K CA 0.683 57.012 56.287 0.070 0.000 0.973 381 K CB -0.079 32.461 32.500 0.067 0.000 0.767 381 K HN 0.308 nan 8.250 nan 0.000 0.475 382 L N 0.589 121.838 121.223 0.043 0.000 2.249 382 L HA -0.000 4.338 4.340 -0.002 0.000 0.207 382 L C 0.704 177.592 176.870 0.031 0.000 1.090 382 L CA 1.461 56.320 54.840 0.032 0.000 0.802 382 L CB 0.302 42.378 42.059 0.029 0.000 0.947 382 L HN 0.018 nan 8.230 nan 0.000 0.453 383 Q N -0.868 118.951 119.800 0.032 0.000 2.628 383 Q HA 0.250 4.589 4.340 -0.002 0.000 0.397 383 Q C -1.812 174.203 176.000 0.025 0.000 0.916 383 Q CA -1.496 54.322 55.803 0.027 0.000 1.071 383 Q CB 0.690 29.442 28.738 0.022 0.000 1.367 383 Q HN 0.200 nan 8.270 nan 0.000 0.404 384 P HA -0.162 nan 4.420 nan 0.000 0.216 384 P C 1.203 178.514 177.300 0.019 0.000 1.150 384 P CA 1.490 64.607 63.100 0.028 0.000 0.843 384 P CB 0.237 31.955 31.700 0.030 0.000 0.787 385 G N -1.923 106.887 108.800 0.017 0.000 3.141 385 G HA2 0.060 4.019 3.960 -0.002 0.000 0.218 385 G HA3 0.060 4.019 3.960 -0.002 0.000 0.218 385 G C 0.965 175.872 174.900 0.012 0.000 1.170 385 G CA 0.728 45.836 45.100 0.014 0.000 0.769 385 G HN 0.418 nan 8.290 nan 0.000 0.546 386 S N -1.327 114.378 115.700 0.008 0.000 3.330 386 S HA 0.171 4.640 4.470 -0.002 0.000 0.259 386 S C 1.719 176.305 174.600 -0.022 0.000 1.095 386 S CA -0.063 58.137 58.200 -0.000 0.000 0.841 386 S CB -0.189 63.016 63.200 0.008 0.000 0.890 386 S HN 0.008 nan 8.310 nan 0.000 0.446 387 L N 3.309 124.522 121.223 -0.016 0.000 1.990 387 L HA 0.054 4.393 4.340 -0.002 0.000 0.213 387 L C -0.989 175.877 176.870 -0.008 0.000 1.072 387 L CA 2.430 57.255 54.840 -0.025 0.000 0.755 387 L CB -2.136 39.925 42.059 0.005 0.000 0.889 387 L HN 0.194 nan 8.230 nan 0.000 0.432 388 P HA -0.208 nan 4.420 nan 0.000 0.216 388 P C 1.512 178.838 177.300 0.044 0.000 1.154 388 P CA 1.594 64.707 63.100 0.021 0.000 0.865 388 P CB 0.066 31.760 31.700 -0.011 0.000 0.789 389 Q N -0.975 118.836 119.800 0.019 0.000 2.079 389 Q HA -0.099 4.240 4.340 -0.002 0.000 0.200 389 Q C 2.149 178.166 176.000 0.027 0.000 0.974 389 Q CA 1.280 57.100 55.803 0.029 0.000 0.840 389 Q CB -1.346 27.401 28.738 0.015 0.000 0.898 389 Q HN 0.087 nan 8.270 nan 0.000 0.430 390 V N 0.612 120.488 119.914 -0.063 0.000 2.287 390 V HA -0.247 3.872 4.120 -0.002 0.000 0.248 390 V C 2.081 178.186 176.094 0.018 0.000 1.053 390 V CA 1.625 63.805 62.300 -0.200 0.000 1.027 390 V CB -0.604 30.916 31.823 -0.505 0.000 0.646 390 V HN 0.315 nan 8.190 nan 0.000 0.447 391 L N 0.678 121.953 121.223 0.087 0.000 2.083 391 L HA -0.095 4.244 4.340 -0.002 0.000 0.209 391 L C 2.390 179.459 176.870 0.332 0.000 1.083 391 L CA 2.275 57.255 54.840 0.233 0.000 0.752 391 L CB -0.804 41.373 42.059 0.197 0.000 0.899 391 L HN 0.235 nan 8.230 nan 0.000 0.433 392 A N -1.301 121.693 122.820 0.290 0.000 1.930 392 A HA -0.239 4.080 4.320 -0.002 0.000 0.217 392 A C 2.304 180.111 177.584 0.371 0.000 1.175 392 A CA 1.591 53.865 52.037 0.394 0.000 0.627 392 A CB -0.590 18.576 19.000 0.275 0.000 0.815 392 A HN 0.633 nan 8.150 nan 0.000 0.443 393 Q N -0.487 119.473 119.800 0.266 0.000 2.046 393 Q HA -0.105 4.234 4.340 -0.002 0.000 0.200 393 Q C 2.235 178.429 176.000 0.323 0.000 0.975 393 Q CA 1.456 57.419 55.803 0.266 0.000 0.836 393 Q CB -0.334 28.540 28.738 0.226 0.000 0.896 393 Q HN 0.587 nan 8.270 nan 0.000 0.428 394 A N 0.169 123.203 122.820 0.358 0.000 1.883 394 A HA -0.205 4.114 4.320 -0.002 0.000 0.217 394 A C 2.245 179.927 177.584 0.164 0.000 1.186 394 A CA 2.084 54.302 52.037 0.302 0.000 0.624 394 A CB -1.160 18.082 19.000 0.404 0.000 0.822 394 A HN 0.503 nan 8.150 nan 0.000 0.444 395 T N -0.408 114.331 114.554 0.309 0.000 2.720 395 T HA -0.171 4.178 4.350 -0.002 0.000 0.268 395 T C 1.901 176.850 174.700 0.415 0.000 1.037 395 T CA 1.835 64.153 62.100 0.363 0.000 1.144 395 T CB -0.273 68.870 68.868 0.458 0.000 0.864 395 T HN 0.689 nan 8.240 nan 0.000 0.444 396 E N 1.103 121.603 120.200 0.500 0.000 2.085 396 E HA -0.096 4.253 4.350 -0.002 0.000 0.194 396 E C 2.067 178.860 176.600 0.321 0.000 0.994 396 E CA 1.403 58.128 56.400 0.541 0.000 0.801 396 E CB -0.387 29.579 29.700 0.442 0.000 0.743 396 E HN 0.517 nan 8.360 nan 0.000 0.453 397 M N -0.378 119.333 119.600 0.184 0.000 2.132 397 M HA -0.071 4.408 4.480 -0.002 0.000 0.263 397 M C 2.239 178.494 176.300 -0.074 0.000 1.065 397 M CA 1.143 56.463 55.300 0.033 0.000 1.122 397 M CB -0.237 32.358 32.600 -0.008 0.000 1.365 397 M HN 0.141 nan 8.290 nan 0.000 0.411 398 L N -1.179 119.982 121.223 -0.104 0.000 2.012 398 L HA -0.255 4.084 4.340 -0.002 0.000 0.210 398 L C 2.637 179.424 176.870 -0.138 0.000 1.073 398 L CA 1.642 56.330 54.840 -0.252 0.000 0.748 398 L CB -0.942 40.678 42.059 -0.732 0.000 0.891 398 L HN 0.284 nan 8.230 nan 0.000 0.431 399 Y N 0.236 120.441 120.300 -0.159 0.000 2.097 399 Y HA -0.296 4.253 4.550 -0.002 0.000 0.282 399 Y C 2.650 178.358 175.900 -0.319 0.000 1.152 399 Y CA 1.642 59.492 58.100 -0.416 0.000 1.136 399 Y CB -0.129 37.807 38.460 -0.873 0.000 0.975 399 Y HN 0.027 nan 8.280 nan 0.000 0.498 400 M N 0.528 120.038 119.600 -0.150 0.000 2.530 400 M HA -0.161 4.318 4.480 -0.002 0.000 0.261 400 M C 1.149 177.294 176.300 -0.258 0.000 1.067 400 M CA 1.620 56.811 55.300 -0.182 0.000 1.071 400 M CB -0.880 31.727 32.600 0.013 0.000 1.405 400 M HN 0.364 nan 8.290 nan 0.000 0.478 401 R N -1.051 119.289 120.500 -0.266 0.000 2.509 401 R HA 0.272 4.611 4.340 -0.002 0.000 0.300 401 R C 1.685 177.933 176.300 -0.086 0.000 0.985 401 R CA -0.234 55.701 56.100 -0.275 0.000 1.092 401 R CB 0.189 30.155 30.300 -0.556 0.000 1.237 401 R HN 0.266 nan 8.270 nan 0.000 0.546 402 L N 0.930 122.044 121.223 -0.182 0.000 2.079 402 L HA -0.253 4.086 4.340 -0.002 0.000 0.210 402 L C 1.488 178.313 176.870 -0.074 0.000 1.081 402 L CA 1.337 56.089 54.840 -0.148 0.000 0.752 402 L CB -0.320 41.528 42.059 -0.352 0.000 0.896 402 L HN 0.239 nan 8.230 nan 0.000 0.433 403 D N -0.271 120.070 120.400 -0.099 0.000 2.157 403 D HA -0.227 4.412 4.640 -0.002 0.000 0.191 403 D C 1.785 178.086 176.300 0.000 0.000 1.004 403 D CA 2.307 56.276 54.000 -0.052 0.000 0.854 403 D CB -0.198 40.565 40.800 -0.062 0.000 0.936 403 D HN 0.438 nan 8.370 nan 0.000 0.446 404 T N -2.465 112.122 114.554 0.055 0.000 3.215 404 T HA 0.267 4.616 4.350 -0.002 0.000 0.271 404 T C 0.604 175.368 174.700 0.106 0.000 1.012 404 T CA -0.446 61.702 62.100 0.081 0.000 0.899 404 T CB -0.003 68.916 68.868 0.085 0.000 1.089 404 T HN -0.048 nan 8.240 nan 0.000 0.552 405 M N 2.881 122.517 119.600 0.060 0.000 2.233 405 M HA 0.260 4.739 4.480 -0.002 0.000 0.350 405 M C 0.283 176.459 176.300 -0.208 0.000 1.176 405 M CA -0.440 54.726 55.300 -0.224 0.000 1.150 405 M CB 0.676 33.081 32.600 -0.325 0.000 1.530 405 M HN 0.198 nan 8.290 nan 0.000 0.459 406 N N 2.736 121.270 118.700 -0.277 0.000 2.492 406 N HA -0.007 4.732 4.740 -0.002 0.000 0.262 406 N C 0.237 175.647 175.510 -0.166 0.000 1.202 406 N CA 0.280 53.216 53.050 -0.190 0.000 0.926 406 N CB 1.088 39.466 38.487 -0.181 0.000 1.078 406 N HN 0.763 nan 8.380 nan 0.000 0.454 407 T N 2.551 117.024 114.554 -0.136 0.000 2.685 407 T HA -0.159 4.190 4.350 -0.002 0.000 0.268 407 T C 1.572 176.223 174.700 -0.081 0.000 1.034 407 T CA 2.030 64.060 62.100 -0.116 0.000 1.149 407 T CB -0.269 68.490 68.868 -0.182 0.000 0.860 407 T HN 0.626 nan 8.240 nan 0.000 0.449 408 T N 0.839 115.338 114.554 -0.092 0.000 2.788 408 T HA -0.104 4.245 4.350 -0.002 0.000 0.268 408 T C 2.279 176.980 174.700 0.002 0.000 1.044 408 T CA 1.143 63.215 62.100 -0.048 0.000 1.139 408 T CB -0.549 68.282 68.868 -0.061 0.000 0.867 408 T HN 0.491 nan 8.240 nan 0.000 0.454 409 C N 0.715 119.979 119.300 -0.060 0.000 2.475 409 C HA 0.076 4.535 4.460 -0.002 0.000 0.279 409 C C 2.806 177.797 174.990 0.002 0.000 1.322 409 C CA -0.140 58.837 59.018 -0.068 0.000 1.734 409 C CB -1.046 26.455 27.740 -0.399 0.000 2.005 409 C HN 0.345 nan 8.230 nan 0.000 0.495 410 V N 1.632 121.542 119.914 -0.007 0.000 2.332 410 V HA -0.228 3.891 4.120 -0.002 0.000 0.248 410 V C 2.029 178.316 176.094 0.322 0.000 1.055 410 V CA 2.333 64.738 62.300 0.175 0.000 1.038 410 V CB -0.760 31.133 31.823 0.117 0.000 0.651 410 V HN 0.456 nan 8.190 nan 0.000 0.450 411 D N 0.000 120.535 120.400 0.224 0.000 2.104 411 D HA -0.154 4.485 4.640 -0.002 0.000 0.194 411 D C 2.430 178.930 176.300 0.335 0.000 0.994 411 D CA 1.318 55.464 54.000 0.243 0.000 0.830 411 D CB -0.273 40.630 40.800 0.171 0.000 0.959 411 D HN 0.385 nan 8.370 nan 0.000 0.452 412 R N -0.628 120.093 120.500 0.368 0.000 2.148 412 R HA -0.070 4.269 4.340 -0.002 0.000 0.227 412 R C 2.066 178.795 176.300 0.715 0.000 1.103 412 R CA 0.468 56.841 56.100 0.455 0.000 0.983 412 R CB -0.279 30.256 30.300 0.391 0.000 0.874 412 R HN 0.169 nan 8.270 nan 0.000 0.451 413 F N 1.635 121.949 119.950 0.606 0.000 2.146 413 F HA -0.052 4.474 4.527 -0.002 0.000 0.298 413 F C 1.811 178.079 175.800 0.780 0.000 1.096 413 F CA 0.925 59.372 58.000 0.745 0.000 1.275 413 F CB -0.416 38.839 39.000 0.426 0.000 1.008 413 F HN -0.148 nan 8.300 nan 0.000 0.480 414 I N 0.357 121.291 120.570 0.606 0.000 2.226 414 I HA -0.341 3.828 4.170 -0.002 0.000 0.245 414 I C 2.190 178.486 176.117 0.298 0.000 1.100 414 I CA 1.287 62.749 61.300 0.270 0.000 1.374 414 I CB -0.593 37.495 38.000 0.148 0.000 1.057 414 I HN 0.122 nan 8.210 nan 0.000 0.413 415 N N -0.078 118.843 118.700 0.368 0.000 2.188 415 N HA -0.214 4.525 4.740 -0.002 0.000 0.184 415 N C 1.542 177.297 175.510 0.409 0.000 1.018 415 N CA 1.304 54.550 53.050 0.327 0.000 0.858 415 N CB -0.338 38.331 38.487 0.304 0.000 0.989 415 N HN 0.489 nan 8.380 nan 0.000 0.426 416 W N 1.541 123.094 121.300 0.421 0.000 2.380 416 W HA -0.102 4.557 4.660 -0.002 0.000 0.317 416 W C 2.132 178.949 176.519 0.497 0.000 1.196 416 W CA 0.744 58.357 57.345 0.448 0.000 1.307 416 W CB -0.980 28.761 29.460 0.468 0.000 1.157 416 W HN -0.070 nan 8.180 nan 0.000 0.483 417 F N 2.352 122.241 119.950 -0.102 0.000 2.091 417 F HA -0.280 4.246 4.527 -0.002 0.000 0.299 417 F C 2.835 178.466 175.800 -0.282 0.000 1.103 417 F CA 2.773 60.460 58.000 -0.522 0.000 1.228 417 F CB -1.142 37.829 39.000 -0.049 0.000 0.984 417 F HN 0.051 nan 8.300 nan 0.000 0.477 418 S N -1.503 114.120 115.700 -0.128 0.000 2.368 418 S HA -0.282 4.187 4.470 -0.002 0.000 0.224 418 S C 2.198 176.788 174.600 -0.018 0.000 1.029 418 S CA 1.488 59.623 58.200 -0.109 0.000 0.988 418 S CB -1.356 61.862 63.200 0.031 0.000 0.838 418 S HN 0.730 nan 8.310 nan 0.000 0.462 419 H N 0.077 119.093 119.070 -0.090 0.000 2.389 419 H HA -0.142 4.413 4.556 -0.002 0.000 0.299 419 H C 2.372 177.611 175.328 -0.148 0.000 1.081 419 H CA 1.545 57.556 56.048 -0.062 0.000 1.345 419 H CB -0.179 29.605 29.762 0.037 0.000 1.393 419 H HN 0.646 nan 8.280 nan 0.000 0.520 420 H N 0.598 119.456 119.070 -0.354 0.000 2.290 420 H HA -0.127 4.428 4.556 -0.002 0.000 0.298 420 H C 2.467 177.665 175.328 -0.216 0.000 1.087 420 H CA 1.964 57.800 56.048 -0.353 0.000 1.291 420 H CB -0.380 28.988 29.762 -0.656 0.000 1.369 420 H HN 0.271 nan 8.280 nan 0.000 0.492 421 L N 0.114 121.126 121.223 -0.352 0.000 2.081 421 L HA -0.230 4.109 4.340 -0.002 0.000 0.212 421 L C 2.640 179.158 176.870 -0.587 0.000 1.080 421 L CA 1.682 56.310 54.840 -0.352 0.000 0.754 421 L CB -0.721 41.145 42.059 -0.322 0.000 0.893 421 L HN 0.494 nan 8.230 nan 0.000 0.433 422 S N -1.229 114.072 115.700 -0.665 0.000 2.507 422 S HA -0.115 4.354 4.470 -0.002 0.000 0.235 422 S C 1.459 175.630 174.600 -0.714 0.000 0.988 422 S CA 0.826 58.382 58.200 -1.073 0.000 0.944 422 S CB -0.367 62.605 63.200 -0.380 0.000 0.762 422 S HN 0.475 nan 8.310 nan 0.000 0.526 423 N N -0.147 118.176 118.700 -0.629 0.000 2.299 423 N HA 0.204 4.943 4.740 -0.002 0.000 0.187 423 N C -0.819 173.980 175.510 -1.185 0.000 1.099 423 N CA 0.362 52.928 53.050 -0.806 0.000 0.867 423 N CB 0.266 38.232 38.487 -0.868 0.000 0.974 423 N HN 0.457 nan 8.380 nan 0.000 0.477 424 F N 0.720 120.418 119.950 -0.420 0.000 2.749 424 F HA 0.237 4.763 4.527 -0.002 0.000 0.380 424 F C 0.041 175.695 175.800 -0.243 0.000 1.365 424 F CA -0.528 57.300 58.000 -0.288 0.000 1.186 424 F CB 0.416 39.255 39.000 -0.269 0.000 1.080 424 F HN -0.259 nan 8.300 nan 0.000 0.513 425 Q N -1.243 118.408 119.800 -0.249 0.000 2.461 425 Q HA -0.273 4.065 4.340 -0.002 0.000 0.264 425 Q C 0.082 176.097 176.000 0.025 0.000 1.085 425 Q CA 0.975 56.695 55.803 -0.138 0.000 1.006 425 Q CB -2.732 26.006 28.738 -0.001 0.000 1.437 425 Q HN 0.550 nan 8.270 nan 0.000 0.514 426 F N -2.502 117.454 119.950 0.010 0.000 3.093 426 F HA -0.326 4.200 4.527 -0.002 0.000 0.287 426 F C 0.655 176.521 175.800 0.109 0.000 0.882 426 F CA 1.159 59.178 58.000 0.032 0.000 1.063 426 F CB -1.369 37.640 39.000 0.014 0.000 1.097 426 F HN 0.201 nan 8.300 nan 0.000 0.604 427 R N 0.831 121.451 120.500 0.200 0.000 2.248 427 R HA 0.347 4.686 4.340 -0.002 0.000 0.328 427 R C -0.221 176.191 176.300 0.187 0.000 1.067 427 R CA 0.049 56.249 56.100 0.167 0.000 0.924 427 R CB 0.968 31.328 30.300 0.101 0.000 1.013 427 R HN 0.465 nan 8.270 nan 0.000 0.454 428 W N 1.625 122.789 121.300 -0.226 0.000 3.213 428 W HA 0.096 4.755 4.660 -0.002 0.000 0.318 428 W C -0.820 175.254 176.519 -0.740 0.000 1.248 428 W CA -0.725 56.268 57.345 -0.587 0.000 1.187 428 W CB 2.162 30.996 29.460 -1.043 0.000 1.403 428 W HN 0.513 nan 8.180 nan 0.000 0.556 429 S N 2.014 116.732 115.700 -1.637 0.000 3.729 429 S HA 0.085 4.554 4.470 -0.002 0.000 0.235 429 S C 0.439 174.337 174.600 -1.169 0.000 1.367 429 S CA -0.657 56.870 58.200 -1.122 0.000 0.907 429 S CB -0.500 62.147 63.200 -0.922 0.000 1.471 429 S HN 0.501 nan 8.310 nan 0.000 0.476 430 W N 2.388 123.318 121.300 -0.617 0.000 2.325 430 W HA -0.186 4.473 4.660 -0.001 0.000 0.299 430 W C 2.392 178.622 176.519 -0.481 0.000 1.215 430 W CA 1.087 58.036 57.345 -0.660 0.000 1.244 430 W CB -0.290 28.583 29.460 -0.978 0.000 1.140 430 W HN 0.625 nan 8.180 nan 0.000 0.523 431 E N 0.390 120.530 120.200 -0.100 0.000 2.219 431 E HA -0.241 4.108 4.350 -0.002 0.000 0.198 431 E C 1.032 177.696 176.600 0.107 0.000 0.998 431 E CA 1.755 58.228 56.400 0.122 0.000 0.818 431 E CB -0.975 28.765 29.700 0.066 0.000 0.741 431 E HN 0.310 nan 8.360 nan 0.000 0.477 432 D N -0.231 120.098 120.400 -0.118 0.000 2.309 432 D HA -0.134 4.505 4.640 -0.002 0.000 0.212 432 D C 0.462 176.941 176.300 0.299 0.000 0.968 432 D CA 0.756 54.729 54.000 -0.044 0.000 0.882 432 D CB -0.220 40.399 40.800 -0.303 0.000 0.918 432 D HN 0.391 nan 8.370 nan 0.000 0.503 433 W N 0.558 121.945 121.300 0.145 0.000 2.862 433 W HA 0.319 4.978 4.660 -0.002 0.000 0.426 433 W C 1.232 178.038 176.519 0.478 0.000 0.950 433 W CA -0.924 56.539 57.345 0.198 0.000 2.150 433 W CB -0.857 28.570 29.460 -0.054 0.000 1.161 433 W HN -0.170 nan 8.180 nan 0.000 0.696 434 S N 0.852 116.915 115.700 0.606 0.000 2.469 434 S HA -0.197 4.272 4.470 -0.002 0.000 0.238 434 S C 1.647 176.401 174.600 0.257 0.000 0.998 434 S CA 1.825 60.275 58.200 0.416 0.000 0.957 434 S CB -0.140 63.246 63.200 0.310 0.000 0.764 434 S HN 0.400 nan 8.310 nan 0.000 0.514 435 D N 1.585 122.168 120.400 0.305 0.000 2.263 435 D HA -0.132 4.507 4.640 -0.002 0.000 0.208 435 D C 2.049 178.471 176.300 0.202 0.000 0.971 435 D CA 1.175 55.311 54.000 0.226 0.000 0.867 435 D CB -1.163 39.781 40.800 0.238 0.000 0.929 435 D HN 0.625 nan 8.370 nan 0.000 0.492 436 C N -0.536 118.928 119.300 0.273 0.000 2.468 436 C HA 0.263 4.722 4.460 -0.002 0.000 0.277 436 C C 2.664 177.711 174.990 0.095 0.000 1.400 436 C CA -0.424 58.728 59.018 0.222 0.000 1.770 436 C CB -1.670 26.292 27.740 0.370 0.000 1.905 436 C HN 0.242 nan 8.230 nan 0.000 0.519 437 L N 2.552 123.780 121.223 0.009 0.000 2.265 437 L HA -0.054 4.285 4.340 -0.002 0.000 0.215 437 L C 2.682 179.541 176.870 -0.018 0.000 1.117 437 L CA 1.792 56.581 54.840 -0.085 0.000 0.782 437 L CB -0.344 41.603 42.059 -0.187 0.000 0.914 437 L HN 0.675 nan 8.230 nan 0.000 0.441 438 S N -2.894 112.820 115.700 0.023 0.000 2.539 438 S HA 0.167 4.636 4.470 -0.002 0.000 0.221 438 S C 0.706 175.330 174.600 0.040 0.000 0.987 438 S CA -0.632 57.585 58.200 0.029 0.000 0.929 438 S CB 0.219 63.440 63.200 0.035 0.000 0.832 438 S HN 0.338 nan 8.310 nan 0.000 0.492 439 Q N 1.286 121.117 119.800 0.052 0.000 2.189 439 Q HA 0.338 4.677 4.340 -0.002 0.000 0.193 439 Q C -0.929 175.104 176.000 0.054 0.000 1.034 439 Q CA -0.706 55.130 55.803 0.055 0.000 1.062 439 Q CB 0.225 29.001 28.738 0.063 0.000 1.118 439 Q HN 0.285 nan 8.270 nan 0.000 0.569 440 D N 0.029 120.464 120.400 0.058 0.000 2.348 440 D HA 0.076 4.715 4.640 -0.002 0.000 0.253 440 D C -1.900 174.445 176.300 0.075 0.000 1.161 440 D CA -1.738 52.300 54.000 0.064 0.000 0.876 440 D CB 1.079 41.920 40.800 0.067 0.000 1.160 440 D HN 0.086 nan 8.370 nan 0.000 0.459 441 P HA -0.172 nan 4.420 nan 0.000 0.218 441 P C 0.327 177.689 177.300 0.103 0.000 1.146 441 P CA 1.250 64.403 63.100 0.088 0.000 0.820 441 P CB 0.172 31.921 31.700 0.082 0.000 0.778 442 E N -1.342 118.921 120.200 0.106 0.000 2.442 442 E HA 0.057 4.406 4.350 -0.002 0.000 0.195 442 E C 0.394 177.055 176.600 0.103 0.000 1.030 442 E CA -0.002 56.468 56.400 0.118 0.000 0.869 442 E CB -0.036 29.746 29.700 0.137 0.000 0.857 442 E HN 0.193 nan 8.360 nan 0.000 0.505 443 S N 1.750 117.503 115.700 0.089 0.000 2.572 443 S HA 0.015 4.484 4.470 -0.002 0.000 0.279 443 S C -1.672 172.968 174.600 0.068 0.000 1.341 443 S CA -1.149 57.093 58.200 0.069 0.000 1.043 443 S CB 0.868 64.101 63.200 0.056 0.000 0.887 443 S HN -0.033 nan 8.310 nan 0.000 0.516 444 P HA -0.189 nan 4.420 nan 0.000 0.216 444 P C 1.121 178.447 177.300 0.043 0.000 1.157 444 P CA 1.504 64.621 63.100 0.028 0.000 0.880 444 P CB 0.152 31.833 31.700 -0.032 0.000 0.791 445 K N -0.699 119.685 120.400 -0.027 0.000 1.978 445 K HA -0.116 4.203 4.320 -0.002 0.000 0.214 445 K C -0.378 176.375 176.600 0.256 0.000 1.049 445 K CA 2.315 58.598 56.287 -0.008 0.000 0.939 445 K CB -2.075 30.360 32.500 -0.110 0.000 0.721 445 K HN 0.301 nan 8.250 nan 0.000 0.441 446 P HA -0.188 nan 4.420 nan 0.000 0.220 446 P C 1.013 178.447 177.300 0.224 0.000 1.148 446 P CA 1.436 64.679 63.100 0.238 0.000 0.803 446 P CB 0.099 31.891 31.700 0.154 0.000 0.782 447 K N -0.874 119.643 120.400 0.196 0.000 2.097 447 K HA -0.132 4.187 4.320 -0.002 0.000 0.205 447 K C 2.083 178.812 176.600 0.215 0.000 1.050 447 K CA 0.825 57.219 56.287 0.179 0.000 0.938 447 K CB -0.592 31.998 32.500 0.151 0.000 0.718 447 K HN -0.086 nan 8.250 nan 0.000 0.442 448 F N 1.061 121.073 119.950 0.103 0.000 2.102 448 F HA -0.208 4.318 4.527 -0.002 0.000 0.298 448 F C 1.688 177.595 175.800 0.180 0.000 1.105 448 F CA 1.364 59.419 58.000 0.093 0.000 1.239 448 F CB -0.392 38.621 39.000 0.021 0.000 0.991 448 F HN -0.206 nan 8.300 nan 0.000 0.474 449 V N 1.143 121.234 119.914 0.295 0.000 2.343 449 V HA -0.291 3.828 4.120 -0.002 0.000 0.247 449 V C 2.547 178.706 176.094 0.108 0.000 1.051 449 V CA 2.233 64.709 62.300 0.293 0.000 1.036 449 V CB -0.743 31.418 31.823 0.564 0.000 0.654 449 V HN 0.299 nan 8.190 nan 0.000 0.451 450 R N -0.351 120.214 120.500 0.109 0.000 2.075 450 R HA -0.113 4.226 4.340 -0.002 0.000 0.232 450 R C 2.371 178.683 176.300 0.019 0.000 1.126 450 R CA 1.228 57.363 56.100 0.059 0.000 0.963 450 R CB -0.286 30.066 30.300 0.087 0.000 0.858 450 R HN 0.530 nan 8.270 nan 0.000 0.435 451 E N 0.483 120.690 120.200 0.012 0.000 2.051 451 E HA -0.133 4.216 4.350 -0.002 0.000 0.192 451 E C 2.207 178.771 176.600 -0.059 0.000 0.991 451 E CA 0.992 57.395 56.400 0.005 0.000 0.799 451 E CB -0.265 29.451 29.700 0.027 0.000 0.748 451 E HN 0.099 nan 8.360 nan 0.000 0.449 452 V N 1.809 121.614 119.914 -0.182 0.000 2.287 452 V HA -0.249 3.870 4.120 -0.002 0.000 0.248 452 V C 2.571 178.629 176.094 -0.061 0.000 1.053 452 V CA 1.456 63.666 62.300 -0.150 0.000 1.027 452 V CB -0.534 31.173 31.823 -0.194 0.000 0.646 452 V HN 0.207 nan 8.190 nan 0.000 0.447 453 L N -0.385 120.790 121.223 -0.079 0.000 2.083 453 L HA -0.214 4.125 4.340 -0.002 0.000 0.209 453 L C 2.559 179.354 176.870 -0.125 0.000 1.083 453 L CA 1.833 56.585 54.840 -0.146 0.000 0.752 453 L CB -0.548 41.390 42.059 -0.202 0.000 0.899 453 L HN 0.432 nan 8.230 nan 0.000 0.433 454 E N 0.103 120.264 120.200 -0.065 0.000 2.106 454 E HA -0.205 4.144 4.350 -0.002 0.000 0.192 454 E C 2.120 178.707 176.600 -0.022 0.000 0.984 454 E CA 0.857 57.236 56.400 -0.036 0.000 0.806 454 E CB 0.268 29.976 29.700 0.014 0.000 0.750 454 E HN 0.230 nan 8.360 nan 0.000 0.458 455 K N 0.143 120.541 120.400 -0.003 0.000 2.148 455 K HA -0.093 4.226 4.320 -0.002 0.000 0.204 455 K C 2.181 178.792 176.600 0.018 0.000 1.050 455 K CA 0.783 57.087 56.287 0.027 0.000 0.942 455 K CB -0.533 31.995 32.500 0.048 0.000 0.724 455 K HN 0.296 nan 8.250 nan 0.000 0.446 456 C N 0.978 120.261 119.300 -0.028 0.000 2.446 456 C HA -0.008 4.451 4.460 -0.002 0.000 0.277 456 C C 2.758 177.630 174.990 -0.197 0.000 1.275 456 C CA 0.411 59.390 59.018 -0.065 0.000 1.727 456 C CB -0.620 26.982 27.740 -0.231 0.000 2.010 456 C HN 0.499 nan 8.230 nan 0.000 0.486 457 M N 0.397 119.874 119.600 -0.206 0.000 2.213 457 M HA -0.151 4.328 4.480 -0.002 0.000 0.263 457 M C 2.410 178.664 176.300 -0.077 0.000 1.062 457 M CA 1.578 56.761 55.300 -0.193 0.000 1.105 457 M CB -0.378 32.126 32.600 -0.160 0.000 1.385 457 M HN 0.355 nan 8.290 nan 0.000 0.417 458 R N -0.059 120.427 120.500 -0.022 0.000 2.148 458 R HA -0.056 4.283 4.340 -0.002 0.000 0.227 458 R C 1.736 178.064 176.300 0.045 0.000 1.103 458 R CA 0.971 57.087 56.100 0.028 0.000 0.983 458 R CB -0.171 30.164 30.300 0.058 0.000 0.874 458 R HN 0.428 nan 8.270 nan 0.000 0.451 459 L N -0.610 120.652 121.223 0.065 0.000 2.607 459 L HA 0.100 4.439 4.340 -0.002 0.000 0.228 459 L C 1.332 178.301 176.870 0.164 0.000 1.123 459 L CA -0.000 54.913 54.840 0.122 0.000 0.890 459 L CB 0.435 42.606 42.059 0.188 0.000 1.103 459 L HN 0.051 nan 8.230 nan 0.000 0.468 460 S N -1.229 114.519 115.700 0.080 0.000 4.107 460 S HA 0.457 4.926 4.470 -0.002 0.000 0.196 460 S C -1.547 173.144 174.600 0.153 0.000 1.125 460 S CA -0.266 57.977 58.200 0.072 0.000 1.614 460 S CB 0.700 63.734 63.200 -0.277 0.000 1.234 460 S HN 0.127 nan 8.310 nan 0.000 0.799 461 Y N -0.885 119.346 120.300 -0.115 0.000 2.604 461 Y HA 0.521 5.070 4.550 -0.002 0.000 0.331 461 Y C 0.760 176.603 175.900 -0.096 0.000 1.158 461 Y CA -0.700 57.347 58.100 -0.089 0.000 1.056 461 Y CB -0.134 38.288 38.460 -0.062 0.000 1.330 461 Y HN 0.674 nan 8.280 nan 0.000 0.457 462 H N 0.906 119.956 119.070 -0.034 0.000 2.267 462 H HA -0.255 4.300 4.556 -0.002 0.000 0.291 462 H C 1.611 176.855 175.328 -0.140 0.000 1.094 462 H CA 3.377 59.364 56.048 -0.102 0.000 1.227 462 H CB 0.168 29.898 29.762 -0.054 0.000 1.351 462 H HN 0.881 nan 8.280 nan 0.000 0.483 463 Q N 0.565 120.419 119.800 0.090 0.000 2.096 463 Q HA -0.134 4.204 4.340 -0.002 0.000 0.204 463 Q C 2.526 178.381 176.000 -0.242 0.000 0.982 463 Q CA 1.344 57.152 55.803 0.008 0.000 0.850 463 Q CB -0.299 28.560 28.738 0.202 0.000 0.901 463 Q HN 0.184 nan 8.270 nan 0.000 0.422 464 R N 0.074 120.205 120.500 -0.614 0.000 2.080 464 R HA -0.118 4.221 4.340 -0.002 0.000 0.236 464 R C 2.008 177.986 176.300 -0.537 0.000 1.137 464 R CA 1.485 57.135 56.100 -0.749 0.000 0.943 464 R CB -0.822 28.629 30.300 -1.414 0.000 0.846 464 R HN 0.370 nan 8.270 nan 0.000 0.431 465 I N 0.857 121.070 120.570 -0.596 0.000 2.179 465 I HA -0.259 3.910 4.170 -0.002 0.000 0.242 465 I C 2.425 178.294 176.117 -0.412 0.000 1.088 465 I CA 0.798 61.780 61.300 -0.530 0.000 1.357 465 I CB -1.269 36.417 38.000 -0.523 0.000 1.051 465 I HN 0.106 nan 8.210 nan 0.000 0.409 466 L N 0.939 121.918 121.223 -0.407 0.000 2.129 466 L HA -0.235 4.104 4.340 -0.002 0.000 0.212 466 L C 2.016 178.767 176.870 -0.197 0.000 1.087 466 L CA 1.835 56.496 54.840 -0.298 0.000 0.757 466 L CB -0.751 41.146 42.059 -0.270 0.000 0.896 466 L HN 0.234 nan 8.230 nan 0.000 0.434 467 D N -0.992 119.296 120.400 -0.186 0.000 2.194 467 D HA -0.050 4.589 4.640 -0.002 0.000 0.204 467 D C 1.937 178.182 176.300 -0.092 0.000 0.964 467 D CA 1.221 55.154 54.000 -0.112 0.000 0.846 467 D CB -0.013 40.736 40.800 -0.085 0.000 0.962 467 D HN 0.521 nan 8.370 nan 0.000 0.490 468 I N -1.084 119.410 120.570 -0.126 0.000 3.564 468 I HA 0.029 4.198 4.170 -0.002 0.000 0.294 468 I C 0.547 176.638 176.117 -0.044 0.000 1.289 468 I CA -0.293 60.986 61.300 -0.036 0.000 1.325 468 I CB -0.466 37.547 38.000 0.021 0.000 1.039 468 I HN -0.230 nan 8.210 nan 0.000 0.474 469 V N -2.784 117.019 119.914 -0.185 0.000 2.919 469 V HA 0.761 4.880 4.120 -0.002 0.000 0.316 469 V C -2.638 173.398 176.094 -0.097 0.000 1.077 469 V CA -2.259 59.857 62.300 -0.307 0.000 0.977 469 V CB 0.831 32.339 31.823 -0.524 0.000 1.039 469 V HN -0.092 nan 8.190 nan 0.000 0.441 470 P HA 0.332 nan 4.420 nan 0.000 0.272 470 P C -2.261 175.120 177.300 0.136 0.000 1.223 470 P CA -1.260 61.901 63.100 0.101 0.000 0.784 470 P CB 0.081 31.901 31.700 0.201 0.000 0.923 471 P HA -0.209 nan 4.420 nan 0.000 0.217 471 P C 1.226 178.583 177.300 0.094 0.000 1.148 471 P CA 1.848 64.993 63.100 0.075 0.000 0.834 471 P CB -0.486 31.248 31.700 0.057 0.000 0.783 472 T N -5.149 109.492 114.554 0.145 0.000 3.035 472 T HA -0.046 4.303 4.350 -0.002 0.000 0.268 472 T C 1.241 175.949 174.700 0.014 0.000 1.109 472 T CA 0.805 62.958 62.100 0.088 0.000 1.119 472 T CB -0.974 67.950 68.868 0.094 0.000 0.900 472 T HN -0.017 nan 8.240 nan 0.000 0.503 473 F N 1.890 121.837 119.950 -0.004 0.000 2.746 473 F HA 0.245 4.771 4.527 -0.002 0.000 0.297 473 F C 2.590 178.341 175.800 -0.082 0.000 1.113 473 F CA -0.017 57.961 58.000 -0.036 0.000 1.367 473 F CB -0.078 38.863 39.000 -0.098 0.000 1.111 473 F HN 0.241 nan 8.300 nan 0.000 0.590 474 S N 0.473 116.217 115.700 0.072 0.000 2.420 474 S HA -0.266 4.203 4.470 -0.002 0.000 0.237 474 S C 2.228 176.824 174.600 -0.006 0.000 1.023 474 S CA 1.107 59.307 58.200 0.000 0.000 0.991 474 S CB -0.726 62.473 63.200 -0.002 0.000 0.792 474 S HN 0.246 nan 8.310 nan 0.000 0.488 475 A N 0.736 123.555 122.820 -0.002 0.000 2.067 475 A HA 0.267 4.586 4.320 -0.002 0.000 0.219 475 A C 1.920 179.507 177.584 0.004 0.000 1.158 475 A CA 0.996 53.032 52.037 -0.002 0.000 0.661 475 A CB -0.476 18.516 19.000 -0.013 0.000 0.801 475 A HN 0.514 nan 8.150 nan 0.000 0.452 476 L N -0.744 120.482 121.223 0.006 0.000 2.592 476 L HA 0.148 4.487 4.340 -0.002 0.000 0.227 476 L C 0.732 177.599 176.870 -0.004 0.000 1.127 476 L CA 0.125 54.980 54.840 0.025 0.000 0.884 476 L CB -0.493 41.608 42.059 0.070 0.000 1.065 476 L HN 0.288 nan 8.230 nan 0.000 0.457 477 C N 1.315 120.589 119.300 -0.043 0.000 2.656 477 C HA 0.265 4.724 4.460 -0.002 0.000 0.391 477 C C -1.524 173.435 174.990 -0.053 0.000 1.300 477 C CA -1.005 57.950 59.018 -0.104 0.000 2.302 477 C CB -0.027 27.608 27.740 -0.176 0.000 2.655 477 C HN 0.233 nan 8.230 nan 0.000 0.656 478 P HA 0.148 nan 4.420 nan 0.000 0.271 478 P C -0.447 176.922 177.300 0.114 0.000 1.218 478 P CA 0.189 63.294 63.100 0.009 0.000 0.780 478 P CB 0.570 32.260 31.700 -0.016 0.000 0.901 479 S N 1.604 117.364 115.700 0.100 0.000 2.576 479 S HA 0.083 4.552 4.470 -0.002 0.000 0.276 479 S C 0.441 175.064 174.600 0.038 0.000 1.339 479 S CA -0.681 57.578 58.200 0.099 0.000 1.039 479 S CB -0.178 63.041 63.200 0.031 0.000 0.902 479 S HN 0.434 nan 8.310 nan 0.000 0.516 480 N N 3.042 121.613 118.700 -0.216 0.000 2.359 480 N HA 0.107 4.846 4.740 -0.002 0.000 0.261 480 N C -2.000 173.398 175.510 -0.187 0.000 1.267 480 N CA -1.393 51.370 53.050 -0.478 0.000 0.864 480 N CB 0.303 38.439 38.487 -0.586 0.000 1.063 480 N HN 0.486 nan 8.380 nan 0.000 0.474 481 P HA 0.024 nan 4.420 nan 0.000 0.232 481 P C -0.745 176.561 177.300 0.011 0.000 1.738 481 P CA -0.170 62.839 63.100 -0.152 0.000 0.948 481 P CB -0.891 30.514 31.700 -0.493 0.000 1.943 482 T N -1.566 113.006 114.554 0.030 0.000 2.909 482 T HA 0.243 4.592 4.350 -0.002 0.000 0.286 482 T C 0.290 175.013 174.700 0.038 0.000 1.002 482 T CA -0.821 61.315 62.100 0.059 0.000 1.074 482 T CB 0.950 69.799 68.868 -0.032 0.000 0.984 482 T HN 0.254 nan 8.240 nan 0.000 0.495 483 C N 3.408 122.637 119.300 -0.117 0.000 2.652 483 C HA 0.558 5.017 4.460 -0.002 0.000 0.412 483 C C 0.188 174.969 174.990 -0.348 0.000 1.294 483 C CA -0.790 57.839 59.018 -0.648 0.000 2.127 483 C CB -1.639 25.610 27.740 -0.819 0.000 2.691 483 C HN 0.832 nan 8.230 nan 0.000 0.615 484 I N 6.227 126.562 120.570 -0.393 0.000 2.390 484 I HA 0.225 4.394 4.170 -0.002 0.000 0.283 484 I C -0.650 175.391 176.117 -0.127 0.000 1.016 484 I CA -0.251 60.929 61.300 -0.199 0.000 1.151 484 I CB 0.656 38.547 38.000 -0.183 0.000 1.293 484 I HN 0.722 nan 8.210 nan 0.000 0.458 485 Y N 6.932 127.106 120.300 -0.211 0.000 2.454 485 Y HA 0.169 4.718 4.550 -0.002 0.000 0.345 485 Y C 1.410 177.152 175.900 -0.263 0.000 0.970 485 Y CA -0.468 57.490 58.100 -0.235 0.000 1.204 485 Y CB 0.937 39.204 38.460 -0.322 0.000 1.122 485 Y HN 0.605 nan 8.280 nan 0.000 0.514 486 K N 3.910 124.115 120.400 -0.326 0.000 2.281 486 K HA -0.193 4.126 4.320 -0.002 0.000 0.203 486 K C -0.446 175.554 176.600 -0.998 0.000 1.046 486 K CA 1.553 57.439 56.287 -0.669 0.000 0.938 486 K CB 0.011 32.030 32.500 -0.802 0.000 0.737 486 K HN 0.760 nan 8.250 nan 0.000 0.458 487 Y N -0.227 119.502 120.300 -0.951 0.000 2.774 487 Y HA 0.301 4.850 4.550 -0.002 0.000 0.305 487 Y C 0.913 176.159 175.900 -1.090 0.000 1.067 487 Y CA -0.775 56.797 58.100 -0.879 0.000 1.304 487 Y CB 0.587 38.618 38.460 -0.716 0.000 1.209 487 Y HN -0.003 nan 8.280 nan 0.000 0.543 488 G N -0.039 108.288 108.800 -0.789 0.000 2.489 488 G HA2 -0.017 3.942 3.960 -0.002 0.000 0.271 488 G HA3 -0.017 3.942 3.960 -0.002 0.000 0.271 488 G C 0.388 175.208 174.900 -0.134 0.000 1.427 488 G CA -0.134 44.758 45.100 -0.346 0.000 1.057 488 G HN 0.159 nan 8.290 nan 0.000 0.532 489 D N -0.624 119.752 120.400 -0.039 0.000 2.092 489 D HA -0.135 4.504 4.640 -0.002 0.000 0.193 489 D C 2.098 178.385 176.300 -0.022 0.000 0.994 489 D CA 1.369 55.364 54.000 -0.008 0.000 0.828 489 D CB -0.295 40.510 40.800 0.009 0.000 0.963 489 D HN 0.632 nan 8.370 nan 0.000 0.450 490 E N 1.260 121.436 120.200 -0.039 0.000 2.171 490 E HA -0.163 4.186 4.350 -0.002 0.000 0.197 490 E C 0.268 176.834 176.600 -0.058 0.000 0.997 490 E CA 0.681 57.053 56.400 -0.046 0.000 0.810 490 E CB -0.030 29.639 29.700 -0.053 0.000 0.738 490 E HN 0.277 nan 8.360 nan 0.000 0.467 491 S N 0.883 116.538 115.700 -0.075 0.000 2.558 491 S HA -0.016 4.453 4.470 -0.002 0.000 0.291 491 S C 0.172 174.734 174.600 -0.063 0.000 1.306 491 S CA -0.038 58.117 58.200 -0.075 0.000 1.056 491 S CB 1.018 64.170 63.200 -0.080 0.000 0.836 491 S HN 0.294 nan 8.310 nan 0.000 0.504 492 S N 1.918 117.563 115.700 -0.090 0.000 2.562 492 S HA 0.287 4.756 4.470 -0.002 0.000 0.275 492 S C 0.569 174.999 174.600 -0.284 0.000 1.281 492 S CA -0.786 57.328 58.200 -0.143 0.000 1.045 492 S CB 0.318 63.457 63.200 -0.100 0.000 0.962 492 S HN 0.798 nan 8.310 nan 0.000 0.503 493 N N 1.633 120.055 118.700 -0.463 0.000 2.573 493 N HA -0.100 4.639 4.740 -0.002 0.000 0.187 493 N C 1.450 176.753 175.510 -0.346 0.000 1.107 493 N CA 0.752 53.312 53.050 -0.816 0.000 0.918 493 N CB -0.126 38.031 38.487 -0.550 0.000 0.966 493 N HN 0.816 nan 8.380 nan 0.000 0.448 494 S N 0.394 115.986 115.700 -0.179 0.000 2.561 494 S HA 0.056 4.525 4.470 -0.002 0.000 0.225 494 S C 0.694 175.284 174.600 -0.015 0.000 0.977 494 S CA -0.092 58.062 58.200 -0.076 0.000 0.926 494 S CB -0.258 62.907 63.200 -0.058 0.000 0.769 494 S HN 0.162 nan 8.310 nan 0.000 0.533 495 L N 2.414 123.646 121.223 0.015 0.000 2.453 495 L HA 0.289 4.628 4.340 -0.002 0.000 0.272 495 L C -2.380 174.589 176.870 0.164 0.000 1.182 495 L CA -1.928 52.980 54.840 0.113 0.000 0.858 495 L CB -0.188 41.988 42.059 0.195 0.000 1.120 495 L HN 0.002 nan 8.230 nan 0.000 0.474 496 P HA 0.031 nan 4.420 nan 0.000 0.263 496 P C 0.699 178.056 177.300 0.095 0.000 1.195 496 P CA 0.645 63.804 63.100 0.099 0.000 0.762 496 P CB 0.712 32.460 31.700 0.080 0.000 0.799 497 G N 2.303 111.108 108.800 0.009 0.000 2.143 497 G HA2 -0.353 3.606 3.960 -0.002 0.000 0.249 497 G HA3 -0.353 3.606 3.960 -0.002 0.000 0.249 497 G C 1.010 175.749 174.900 -0.270 0.000 0.981 497 G CA 0.677 45.709 45.100 -0.114 0.000 0.665 497 G HN 0.672 nan 8.290 nan 0.000 0.528 498 H N 0.955 119.906 119.070 -0.198 0.000 2.352 498 H HA -0.025 4.530 4.556 -0.002 0.000 0.299 498 H C 2.742 177.955 175.328 -0.192 0.000 1.097 498 H CA 2.869 58.797 56.048 -0.199 0.000 1.311 498 H CB -0.052 29.697 29.762 -0.022 0.000 1.377 498 H HN 0.387 nan 8.280 nan 0.000 0.504 499 S N -0.855 114.798 115.700 -0.077 0.000 2.355 499 S HA -0.119 4.350 4.470 -0.002 0.000 0.222 499 S C 2.375 176.877 174.600 -0.164 0.000 1.031 499 S CA 1.069 59.212 58.200 -0.095 0.000 0.993 499 S CB -0.274 62.917 63.200 -0.015 0.000 0.859 499 S HN 0.268 nan 8.310 nan 0.000 0.453 500 V N 2.183 121.998 119.914 -0.166 0.000 2.343 500 V HA -0.201 3.918 4.120 -0.002 0.000 0.247 500 V C 2.630 178.597 176.094 -0.211 0.000 1.051 500 V CA 1.641 63.843 62.300 -0.163 0.000 1.036 500 V CB -1.284 30.456 31.823 -0.138 0.000 0.654 500 V HN 0.522 nan 8.190 nan 0.000 0.451 501 A N 0.238 122.854 122.820 -0.340 0.000 1.851 501 A HA -0.203 4.116 4.320 -0.002 0.000 0.216 501 A C 2.209 179.679 177.584 -0.189 0.000 1.195 501 A CA 2.102 53.931 52.037 -0.347 0.000 0.622 501 A CB -0.689 17.831 19.000 -0.801 0.000 0.831 501 A HN 0.497 nan 8.150 nan 0.000 0.444 502 L N -1.012 120.055 121.223 -0.259 0.000 2.079 502 L HA -0.264 4.075 4.340 -0.002 0.000 0.210 502 L C 2.808 179.622 176.870 -0.093 0.000 1.081 502 L CA 1.483 56.230 54.840 -0.155 0.000 0.752 502 L CB -0.854 41.075 42.059 -0.216 0.000 0.896 502 L HN 0.656 nan 8.230 nan 0.000 0.433 503 C N 0.065 119.295 119.300 -0.118 0.000 2.457 503 C HA -0.065 4.394 4.460 -0.002 0.000 0.278 503 C C 2.755 177.664 174.990 -0.134 0.000 1.309 503 C CA 0.329 59.285 59.018 -0.103 0.000 1.735 503 C CB -0.715 26.964 27.740 -0.103 0.000 1.992 503 C HN 0.408 nan 8.230 nan 0.000 0.493 504 L N 0.877 122.005 121.223 -0.159 0.000 2.056 504 L HA -0.074 4.265 4.340 -0.002 0.000 0.207 504 L C 2.968 179.730 176.870 -0.179 0.000 1.078 504 L CA 1.521 56.197 54.840 -0.274 0.000 0.749 504 L CB -0.736 41.221 42.059 -0.171 0.000 0.901 504 L HN 0.406 nan 8.230 nan 0.000 0.433 505 A N -0.140 122.694 122.820 0.023 0.000 1.865 505 A HA -0.183 4.136 4.320 -0.002 0.000 0.217 505 A C 2.307 179.943 177.584 0.086 0.000 1.191 505 A CA 2.058 54.176 52.037 0.135 0.000 0.623 505 A CB -0.924 18.143 19.000 0.113 0.000 0.826 505 A HN 0.197 nan 8.150 nan 0.000 0.444 506 V N -0.110 119.811 119.914 0.013 0.000 2.343 506 V HA -0.259 3.860 4.120 -0.002 0.000 0.247 506 V C 3.054 179.142 176.094 -0.010 0.000 1.051 506 V CA 2.009 64.314 62.300 0.007 0.000 1.036 506 V CB -1.392 30.423 31.823 -0.014 0.000 0.654 506 V HN 0.636 nan 8.190 nan 0.000 0.451 507 A N -0.475 122.289 122.820 -0.093 0.000 1.883 507 A HA -0.203 4.116 4.320 -0.002 0.000 0.217 507 A C 2.121 179.661 177.584 -0.072 0.000 1.186 507 A CA 1.909 53.863 52.037 -0.138 0.000 0.624 507 A CB -0.818 18.012 19.000 -0.285 0.000 0.822 507 A HN 0.499 nan 8.150 nan 0.000 0.444 508 F N 0.062 120.005 119.950 -0.012 0.000 2.161 508 F HA -0.182 4.344 4.527 -0.002 0.000 0.300 508 F C 2.342 178.163 175.800 0.035 0.000 1.089 508 F CA 1.571 59.571 58.000 -0.000 0.000 1.282 508 F CB -0.049 38.893 39.000 -0.096 0.000 1.010 508 F HN 0.146 nan 8.300 nan 0.000 0.485 509 K N -0.189 120.330 120.400 0.198 0.000 2.288 509 K HA -0.050 4.268 4.320 -0.002 0.000 0.201 509 K C 1.141 177.795 176.600 0.091 0.000 1.048 509 K CA 1.193 57.552 56.287 0.119 0.000 0.956 509 K CB -0.158 32.392 32.500 0.084 0.000 0.746 509 K HN 0.155 nan 8.250 nan 0.000 0.461 510 S N 1.133 116.884 115.700 0.084 0.000 2.519 510 S HA 0.171 4.640 4.470 -0.002 0.000 0.245 510 S C 0.013 174.659 174.600 0.077 0.000 1.152 510 S CA -0.607 57.629 58.200 0.060 0.000 1.175 510 S CB 0.064 63.283 63.200 0.032 0.000 0.829 510 S HN 0.201 nan 8.310 nan 0.000 0.472 511 K N 1.038 121.506 120.400 0.114 0.000 3.356 511 K HA -0.244 4.075 4.320 -0.002 0.000 0.270 511 K C 0.337 177.018 176.600 0.135 0.000 0.901 511 K CA 0.310 56.676 56.287 0.131 0.000 0.688 511 K CB -1.769 30.776 32.500 0.076 0.000 1.460 511 K HN 0.802 nan 8.250 nan 0.000 0.458 512 A N 0.902 123.830 122.820 0.180 0.000 2.386 512 A HA 0.321 4.640 4.320 -0.002 0.000 0.246 512 A C 0.697 178.402 177.584 0.202 0.000 1.089 512 A CA 0.422 52.546 52.037 0.145 0.000 0.790 512 A CB 0.330 19.366 19.000 0.061 0.000 1.042 512 A HN 0.640 nan 8.150 nan 0.000 0.497 513 T N -1.516 113.122 114.554 0.140 0.000 2.937 513 T HA 0.315 4.664 4.350 -0.002 0.000 0.283 513 T C 0.910 175.715 174.700 0.175 0.000 1.012 513 T CA -0.593 61.571 62.100 0.105 0.000 0.997 513 T CB 0.804 69.710 68.868 0.063 0.000 1.136 513 T HN 0.517 nan 8.240 nan 0.000 0.551 514 N N 0.926 119.707 118.700 0.134 0.000 2.149 514 N HA -0.137 4.602 4.740 -0.002 0.000 0.188 514 N C 1.259 176.893 175.510 0.208 0.000 1.019 514 N CA 1.405 54.558 53.050 0.172 0.000 0.857 514 N CB -0.383 38.215 38.487 0.185 0.000 0.997 514 N HN 0.625 nan 8.380 nan 0.000 0.426 515 D N 1.227 121.766 120.400 0.232 0.000 2.144 515 D HA -0.119 4.519 4.640 -0.002 0.000 0.199 515 D C 1.701 178.098 176.300 0.162 0.000 0.984 515 D CA 0.863 55.010 54.000 0.246 0.000 0.834 515 D CB -0.088 40.795 40.800 0.137 0.000 0.955 515 D HN 0.489 nan 8.370 nan 0.000 0.465 516 E N 0.181 120.435 120.200 0.090 0.000 2.051 516 E HA -0.147 4.202 4.350 -0.002 0.000 0.192 516 E C 2.184 178.767 176.600 -0.028 0.000 0.991 516 E CA 0.492 56.908 56.400 0.026 0.000 0.799 516 E CB -0.009 29.694 29.700 0.006 0.000 0.748 516 E HN 0.188 nan 8.360 nan 0.000 0.449 517 I N 0.585 121.112 120.570 -0.072 0.000 2.179 517 I HA -0.245 3.924 4.170 -0.002 0.000 0.242 517 I C 2.014 178.030 176.117 -0.169 0.000 1.088 517 I CA 1.284 62.458 61.300 -0.210 0.000 1.357 517 I CB -0.445 37.392 38.000 -0.272 0.000 1.051 517 I HN 0.008 nan 8.210 nan 0.000 0.409 518 F N 0.066 119.971 119.950 -0.076 0.000 2.126 518 F HA -0.257 4.269 4.527 -0.002 0.000 0.299 518 F C 2.921 178.675 175.800 -0.076 0.000 1.096 518 F CA 1.799 59.746 58.000 -0.088 0.000 1.255 518 F CB -1.176 37.788 39.000 -0.060 0.000 0.997 518 F HN 0.036 nan 8.300 nan 0.000 0.479 519 S N 0.164 115.943 115.700 0.132 0.000 2.368 519 S HA -0.161 4.308 4.470 -0.002 0.000 0.225 519 S C 2.172 176.773 174.600 0.003 0.000 1.030 519 S CA 1.339 59.570 58.200 0.051 0.000 0.999 519 S CB -0.478 62.740 63.200 0.031 0.000 0.844 519 S HN 0.325 nan 8.310 nan 0.000 0.459 520 I N 1.039 121.588 120.570 -0.036 0.000 2.361 520 I HA -0.147 4.022 4.170 -0.002 0.000 0.251 520 I C 2.001 178.082 176.117 -0.061 0.000 1.133 520 I CA 0.967 62.226 61.300 -0.069 0.000 1.413 520 I CB -0.269 37.657 38.000 -0.124 0.000 1.073 520 I HN 0.310 nan 8.210 nan 0.000 0.424 521 L N 0.181 121.374 121.223 -0.050 0.000 2.240 521 L HA -0.097 4.242 4.340 -0.002 0.000 0.211 521 L C 2.422 179.283 176.870 -0.015 0.000 1.106 521 L CA 0.560 55.375 54.840 -0.041 0.000 0.793 521 L CB -0.470 41.556 42.059 -0.055 0.000 0.927 521 L HN 0.102 nan 8.230 nan 0.000 0.446 522 K N 0.249 120.652 120.400 0.006 0.000 2.242 522 K HA -0.225 4.094 4.320 -0.002 0.000 0.206 522 K C 1.190 177.780 176.600 -0.016 0.000 1.045 522 K CA 1.296 57.583 56.287 -0.000 0.000 0.930 522 K CB -0.448 32.052 32.500 0.001 0.000 0.726 522 K HN 0.410 nan 8.250 nan 0.000 0.462 523 D N 0.637 121.022 120.400 -0.024 0.000 2.363 523 D HA -0.034 4.605 4.640 -0.002 0.000 0.226 523 D C 0.029 176.310 176.300 -0.032 0.000 1.020 523 D CA 0.233 54.216 54.000 -0.028 0.000 0.892 523 D CB 0.240 41.021 40.800 -0.032 0.000 0.900 523 D HN -0.102 nan 8.370 nan 0.000 0.531 524 V N 4.266 124.159 119.914 -0.035 0.000 2.427 524 V HA 0.123 4.242 4.120 -0.002 0.000 0.268 524 V C -1.888 174.183 176.094 -0.040 0.000 1.046 524 V CA -1.340 60.937 62.300 -0.039 0.000 0.970 524 V CB 0.900 32.697 31.823 -0.043 0.000 1.001 524 V HN -0.015 nan 8.190 nan 0.000 0.476 525 P HA 0.059 nan 4.420 nan 0.000 0.270 525 P C -0.318 176.951 177.300 -0.052 0.000 1.242 525 P CA -0.242 62.836 63.100 -0.037 0.000 0.768 525 P CB 0.514 32.198 31.700 -0.028 0.000 0.820 526 N N 5.094 123.756 118.700 -0.063 0.000 2.438 526 N HA 0.116 4.855 4.740 -0.002 0.000 0.267 526 N C -1.707 173.750 175.510 -0.089 0.000 1.222 526 N CA -0.901 52.091 53.050 -0.096 0.000 0.930 526 N CB -0.478 37.951 38.487 -0.097 0.000 1.083 526 N HN 0.269 nan 8.380 nan 0.000 0.476 539 F N 2.915 122.863 119.950 -0.004 0.000 2.730 539 F HA 0.622 5.148 4.527 -0.002 0.000 0.335 539 F C -1.460 174.325 175.800 -0.024 0.000 1.212 539 F CA -0.631 57.364 58.000 -0.009 0.000 1.016 539 F CB 1.093 40.086 39.000 -0.013 0.000 1.290 539 F HN 0.376 nan 8.300 nan 0.000 0.495 540 N N 8.656 127.076 118.700 -0.467 0.000 2.569 540 N HA 0.377 5.116 4.740 -0.002 0.000 0.254 540 N C -2.135 173.016 175.510 -0.598 0.000 1.004 540 N CA -2.333 50.406 53.050 -0.520 0.000 0.904 540 N CB 2.296 40.658 38.487 -0.210 0.000 1.165 540 N HN 0.312 nan 8.380 nan 0.000 0.513 541 P HA -0.158 nan 4.420 nan 0.000 0.216 541 P C 1.527 178.771 177.300 -0.093 0.000 1.150 541 P CA 0.529 63.239 63.100 -0.650 0.000 0.837 541 P CB 0.723 31.913 31.700 -0.850 0.000 0.786 542 L N 0.092 121.256 121.223 -0.097 0.000 2.093 542 L HA -0.058 4.281 4.340 -0.002 0.000 0.208 542 L C 2.504 179.398 176.870 0.040 0.000 1.085 542 L CA 1.916 56.769 54.840 0.023 0.000 0.755 542 L CB -1.081 40.971 42.059 -0.011 0.000 0.904 542 L HN -0.216 nan 8.230 nan 0.000 0.435 543 K N -0.539 119.853 120.400 -0.013 0.000 2.057 543 K HA -0.143 4.176 4.320 -0.002 0.000 0.207 543 K C 2.087 178.734 176.600 0.078 0.000 1.049 543 K CA 1.868 58.157 56.287 0.002 0.000 0.931 543 K CB -0.264 32.212 32.500 -0.040 0.000 0.714 543 K HN 0.350 nan 8.250 nan 0.000 0.440 544 I N 0.853 121.496 120.570 0.122 0.000 2.179 544 I HA -0.285 3.883 4.170 -0.002 0.000 0.242 544 I C 2.605 178.874 176.117 0.253 0.000 1.088 544 I CA 1.295 62.734 61.300 0.232 0.000 1.357 544 I CB -0.266 37.943 38.000 0.348 0.000 1.051 544 I HN 0.298 nan 8.210 nan 0.000 0.409 545 E N 1.021 121.374 120.200 0.254 0.000 2.038 545 E HA -0.230 4.119 4.350 -0.002 0.000 0.195 545 E C 2.237 178.971 176.600 0.224 0.000 1.000 545 E CA 2.433 58.963 56.400 0.217 0.000 0.803 545 E CB 0.024 29.877 29.700 0.254 0.000 0.750 545 E HN 0.419 nan 8.360 nan 0.000 0.448 546 V N -0.799 119.229 119.914 0.191 0.000 2.515 546 V HA -0.149 3.970 4.120 -0.002 0.000 0.250 546 V C 2.179 178.360 176.094 0.145 0.000 1.058 546 V CA 1.662 64.034 62.300 0.121 0.000 1.064 546 V CB -0.922 30.858 31.823 -0.072 0.000 0.675 546 V HN 0.320 nan 8.190 nan 0.000 0.461 547 F N 1.332 121.275 119.950 -0.012 0.000 2.128 547 F HA 0.003 4.529 4.527 -0.002 0.000 0.295 547 F C 2.147 177.908 175.800 -0.065 0.000 1.100 547 F CA 1.952 59.916 58.000 -0.060 0.000 1.260 547 F CB -0.404 38.494 39.000 -0.169 0.000 1.009 547 F HN 0.010 nan 8.300 nan 0.000 0.476 548 V N 0.637 120.454 119.914 -0.161 0.000 2.323 548 V HA -0.238 3.881 4.120 -0.002 0.000 0.244 548 V C 2.507 178.522 176.094 -0.133 0.000 1.041 548 V CA 1.805 63.971 62.300 -0.223 0.000 1.025 548 V CB -0.732 31.100 31.823 0.015 0.000 0.656 548 V HN 0.323 nan 8.190 nan 0.000 0.451 549 Q N -0.038 119.772 119.800 0.017 0.000 2.077 549 Q HA -0.214 4.125 4.340 -0.002 0.000 0.206 549 Q C 2.351 178.350 176.000 -0.002 0.000 0.989 549 Q CA 2.467 58.327 55.803 0.096 0.000 0.853 549 Q CB -0.716 28.228 28.738 0.344 0.000 0.907 549 Q HN 0.625 nan 8.270 nan 0.000 0.418 550 T N 1.513 116.069 114.554 0.003 0.000 2.857 550 T HA -0.083 4.266 4.350 -0.002 0.000 0.266 550 T C 1.854 176.355 174.700 -0.331 0.000 1.048 550 T CA 0.614 62.643 62.100 -0.118 0.000 1.139 550 T CB -0.194 68.747 68.868 0.123 0.000 0.874 550 T HN 0.071 nan 8.240 nan 0.000 0.455 551 L N 1.005 121.899 121.223 -0.548 0.000 2.056 551 L HA 0.117 4.456 4.340 -0.002 0.000 0.207 551 L C 2.074 178.657 176.870 -0.478 0.000 1.078 551 L CA 1.546 55.842 54.840 -0.906 0.000 0.749 551 L CB -0.651 40.746 42.059 -1.103 0.000 0.901 551 L HN 0.237 nan 8.230 nan 0.000 0.433 552 L N -1.225 119.833 121.223 -0.276 0.000 2.056 552 L HA -0.221 4.118 4.340 -0.002 0.000 0.207 552 L C 2.695 179.502 176.870 -0.106 0.000 1.078 552 L CA 1.449 56.240 54.840 -0.080 0.000 0.749 552 L CB -1.054 41.014 42.059 0.014 0.000 0.901 552 L HN 0.484 nan 8.230 nan 0.000 0.433 553 H N 1.033 119.897 119.070 -0.344 0.000 2.387 553 H HA -0.158 4.397 4.556 -0.002 0.000 0.299 553 H C 2.057 177.208 175.328 -0.295 0.000 1.099 553 H CA 1.534 57.331 56.048 -0.419 0.000 1.315 553 H CB 0.100 29.376 29.762 -0.810 0.000 1.380 553 H HN 0.313 nan 8.280 nan 0.000 0.513 554 L N 0.254 121.260 121.223 -0.362 0.000 2.478 554 L HA 0.050 4.389 4.340 -0.002 0.000 0.223 554 L C 2.153 178.909 176.870 -0.190 0.000 1.140 554 L CA 0.645 55.300 54.840 -0.310 0.000 0.842 554 L CB -0.008 41.928 42.059 -0.205 0.000 0.953 554 L HN 0.282 nan 8.230 nan 0.000 0.452 555 A N -0.838 121.903 122.820 -0.133 0.000 2.503 555 A HA 0.456 4.775 4.320 -0.002 0.000 0.263 555 A C 1.978 179.615 177.584 0.088 0.000 1.258 555 A CA 0.468 52.510 52.037 0.009 0.000 0.936 555 A CB -0.038 18.959 19.000 -0.005 0.000 1.070 555 A HN 0.203 nan 8.150 nan 0.000 0.522 556 A N 0.500 123.360 122.820 0.066 0.000 2.225 556 A HA -0.101 4.218 4.320 -0.002 0.000 0.215 556 A C 1.921 179.583 177.584 0.131 0.000 1.164 556 A CA 1.644 53.837 52.037 0.260 0.000 0.710 556 A CB -0.388 18.692 19.000 0.135 0.000 0.780 556 A HN 0.541 nan 8.150 nan 0.000 0.473 557 K N 0.166 120.559 120.400 -0.011 0.000 2.002 557 K HA -0.103 4.215 4.320 -0.002 0.000 0.209 557 K C 0.766 177.209 176.600 -0.262 0.000 1.048 557 K CA 1.565 57.761 56.287 -0.153 0.000 0.930 557 K CB -0.100 32.248 32.500 -0.253 0.000 0.714 557 K HN 0.639 nan 8.250 nan 0.000 0.438 558 S N -2.512 112.994 115.700 -0.322 0.000 2.656 558 S HA 0.285 4.754 4.470 -0.002 0.000 0.273 558 S C 0.453 174.918 174.600 -0.224 0.000 1.168 558 S CA -0.975 57.011 58.200 -0.358 0.000 0.817 558 S CB 0.360 63.295 63.200 -0.442 0.000 1.146 558 S HN 0.000 nan 8.310 nan 0.000 0.475 559 F N 1.538 121.213 119.950 -0.458 0.000 2.146 559 F HA 0.051 4.577 4.527 -0.002 0.000 0.298 559 F C 2.944 178.124 175.800 -1.034 0.000 1.096 559 F CA 1.199 58.709 58.000 -0.816 0.000 1.275 559 F CB -1.512 37.048 39.000 -0.733 0.000 1.008 559 F HN 0.600 nan 8.300 nan 0.000 0.480 560 S N -1.113 114.414 115.700 -0.289 0.000 2.382 560 S HA -0.201 4.268 4.470 -0.002 0.000 0.228 560 S C 1.805 176.446 174.600 0.068 0.000 1.027 560 S CA 1.164 59.330 58.200 -0.057 0.000 0.991 560 S CB -0.397 62.858 63.200 0.090 0.000 0.823 560 S HN 0.363 nan 8.310 nan 0.000 0.469 561 H N 1.186 120.182 119.070 -0.123 0.000 2.353 561 H HA 0.079 4.634 4.556 -0.002 0.000 0.300 561 H C 2.504 177.798 175.328 -0.056 0.000 1.090 561 H CA 1.404 57.412 56.048 -0.066 0.000 1.327 561 H CB -0.599 29.121 29.762 -0.070 0.000 1.383 561 H HN 0.237 nan 8.280 nan 0.000 0.508 562 S N -0.189 115.512 115.700 0.000 0.000 2.383 562 S HA -0.077 4.392 4.470 -0.002 0.000 0.227 562 S C 2.073 176.736 174.600 0.105 0.000 1.026 562 S CA 0.749 58.945 58.200 -0.007 0.000 0.981 562 S CB -0.322 62.819 63.200 -0.099 0.000 0.818 562 S HN 0.352 nan 8.310 nan 0.000 0.472 563 F N 2.148 122.115 119.950 0.029 0.000 2.134 563 F HA -0.145 4.381 4.527 -0.002 0.000 0.299 563 F C 2.934 178.748 175.800 0.022 0.000 1.097 563 F CA 0.867 58.867 58.000 -0.001 0.000 1.264 563 F CB -0.466 38.533 39.000 -0.002 0.000 1.001 563 F HN 0.278 nan 8.300 nan 0.000 0.479 564 S N 0.358 116.190 115.700 0.220 0.000 2.453 564 S HA -0.046 4.423 4.470 -0.002 0.000 0.231 564 S C 1.920 176.598 174.600 0.129 0.000 1.005 564 S CA 0.577 58.855 58.200 0.130 0.000 0.949 564 S CB -0.463 62.778 63.200 0.068 0.000 0.774 564 S HN 0.275 nan 8.310 nan 0.000 0.510 565 A N 2.210 125.121 122.820 0.151 0.000 1.898 565 A HA 0.277 4.596 4.320 -0.002 0.000 0.214 565 A C 2.250 180.041 177.584 0.344 0.000 1.183 565 A CA 0.941 53.114 52.037 0.226 0.000 0.622 565 A CB -0.742 18.314 19.000 0.094 0.000 0.824 565 A HN 0.501 nan 8.150 nan 0.000 0.444 566 L N -0.720 120.653 121.223 0.249 0.000 2.083 566 L HA -0.200 4.139 4.340 -0.002 0.000 0.209 566 L C 3.032 180.062 176.870 0.267 0.000 1.083 566 L CA 1.163 56.132 54.840 0.214 0.000 0.752 566 L CB -0.576 41.479 42.059 -0.007 0.000 0.899 566 L HN 0.463 nan 8.230 nan 0.000 0.433 567 A N -0.150 122.790 122.820 0.200 0.000 1.929 567 A HA -0.191 4.128 4.320 -0.002 0.000 0.216 567 A C 2.399 180.066 177.584 0.138 0.000 1.176 567 A CA 1.419 53.549 52.037 0.156 0.000 0.628 567 A CB -0.298 18.743 19.000 0.068 0.000 0.816 567 A HN 0.261 nan 8.150 nan 0.000 0.444 568 K N -1.278 119.171 120.400 0.081 0.000 2.057 568 K HA -0.083 4.236 4.320 -0.002 0.000 0.207 568 K C 0.044 176.482 176.600 -0.270 0.000 1.049 568 K CA 1.353 57.544 56.287 -0.161 0.000 0.931 568 K CB -0.181 32.125 32.500 -0.324 0.000 0.714 568 K HN 0.438 nan 8.250 nan 0.000 0.440 569 F N 0.154 120.282 119.950 0.298 0.000 2.916 569 F HA 0.131 4.657 4.527 -0.002 0.000 0.294 569 F C 1.467 177.542 175.800 0.458 0.000 1.189 569 F CA -0.360 57.850 58.000 0.350 0.000 1.369 569 F CB 0.056 39.331 39.000 0.458 0.000 0.961 569 F HN 0.181 nan 8.300 nan 0.000 0.508 570 H N 1.047 120.345 119.070 0.381 0.000 2.387 570 H HA -0.160 4.395 4.556 -0.002 0.000 0.299 570 H C 2.023 177.543 175.328 0.319 0.000 1.090 570 H CA 2.104 58.364 56.048 0.354 0.000 1.332 570 H CB 0.263 30.126 29.762 0.168 0.000 1.386 570 H HN 0.501 nan 8.280 nan 0.000 0.516 571 E N 0.055 120.476 120.200 0.368 0.000 2.077 571 E HA -0.115 4.234 4.350 -0.002 0.000 0.193 571 E C 2.396 179.139 176.600 0.239 0.000 0.989 571 E CA 1.261 57.841 56.400 0.300 0.000 0.800 571 E CB 0.221 30.098 29.700 0.295 0.000 0.746 571 E HN 0.278 nan 8.360 nan 0.000 0.452 572 V N 0.564 120.520 119.914 0.070 0.000 2.343 572 V HA -0.236 3.883 4.120 -0.002 0.000 0.247 572 V C 2.007 177.950 176.094 -0.252 0.000 1.051 572 V CA 1.685 63.769 62.300 -0.360 0.000 1.036 572 V CB -0.654 30.618 31.823 -0.917 0.000 0.654 572 V HN 0.272 nan 8.190 nan 0.000 0.451 573 F N 0.426 120.361 119.950 -0.025 0.000 2.069 573 F HA -0.166 4.360 4.527 -0.002 0.000 0.298 573 F C 2.568 178.357 175.800 -0.018 0.000 1.113 573 F CA 1.682 59.704 58.000 0.037 0.000 1.214 573 F CB -0.313 38.705 39.000 0.031 0.000 0.978 573 F HN -0.014 nan 8.300 nan 0.000 0.474 574 K N -0.130 120.350 120.400 0.133 0.000 2.044 574 K HA -0.153 4.166 4.320 -0.002 0.000 0.210 574 K C 2.014 178.682 176.600 0.114 0.000 1.049 574 K CA 1.966 58.303 56.287 0.085 0.000 0.927 574 K CB -1.322 31.222 32.500 0.073 0.000 0.713 574 K HN 0.247 nan 8.250 nan 0.000 0.443 575 T N 2.006 116.647 114.554 0.145 0.000 2.708 575 T HA -0.113 4.236 4.350 -0.002 0.000 0.266 575 T C 1.898 176.670 174.700 0.119 0.000 1.037 575 T CA 0.969 63.159 62.100 0.150 0.000 1.146 575 T CB -0.176 68.864 68.868 0.286 0.000 0.865 575 T HN -0.036 nan 8.240 nan 0.000 0.435 576 L N 0.681 121.954 121.223 0.082 0.000 2.093 576 L HA 0.223 4.562 4.340 -0.002 0.000 0.208 576 L C 1.957 178.916 176.870 0.148 0.000 1.085 576 L CA 1.010 55.891 54.840 0.068 0.000 0.755 576 L CB -0.725 41.296 42.059 -0.064 0.000 0.904 576 L HN 0.222 nan 8.230 nan 0.000 0.435 577 A N -1.706 121.209 122.820 0.158 0.000 3.159 577 A HA 0.213 4.532 4.320 -0.002 0.000 0.301 577 A C 1.559 179.212 177.584 0.115 0.000 1.271 577 A CA -0.147 51.993 52.037 0.172 0.000 0.998 577 A CB -0.283 18.842 19.000 0.207 0.000 1.101 577 A HN 0.232 nan 8.150 nan 0.000 0.610 578 E N 1.012 121.275 120.200 0.105 0.000 2.072 578 E HA -0.082 4.267 4.350 -0.002 0.000 0.191 578 E C 1.363 177.989 176.600 0.044 0.000 0.985 578 E CA 1.390 57.833 56.400 0.072 0.000 0.801 578 E CB -0.073 29.670 29.700 0.070 0.000 0.750 578 E HN 0.623 nan 8.360 nan 0.000 0.452 579 S N -0.311 115.410 115.700 0.034 0.000 2.669 579 S HA 0.150 4.619 4.470 -0.002 0.000 0.270 579 S C 0.641 175.203 174.600 -0.064 0.000 1.225 579 S CA -0.400 57.784 58.200 -0.027 0.000 0.991 579 S CB 1.027 64.184 63.200 -0.070 0.000 0.987 579 S HN 0.037 nan 8.310 nan 0.000 0.552 580 D N 0.678 121.025 120.400 -0.088 0.000 2.178 580 D HA -0.061 4.578 4.640 -0.002 0.000 0.202 580 D C 1.730 177.945 176.300 -0.142 0.000 0.974 580 D CA 1.293 55.243 54.000 -0.084 0.000 0.841 580 D CB -0.259 40.499 40.800 -0.070 0.000 0.953 580 D HN 0.751 nan 8.370 nan 0.000 0.478 581 E N 0.173 120.193 120.200 -0.299 0.000 2.106 581 E HA -0.080 4.269 4.350 -0.002 0.000 0.192 581 E C 2.145 178.445 176.600 -0.500 0.000 0.984 581 E CA 0.891 56.965 56.400 -0.544 0.000 0.806 581 E CB -0.121 28.928 29.700 -1.085 0.000 0.750 581 E HN 0.269 nan 8.360 nan 0.000 0.458 582 G N 1.524 110.130 108.800 -0.323 0.000 2.402 582 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.216 582 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.216 582 G C 1.420 176.415 174.900 0.159 0.000 1.162 582 G CA 0.561 45.737 45.100 0.127 0.000 0.777 582 G HN 0.109 nan 8.290 nan 0.000 0.539 583 K N -0.118 120.320 120.400 0.063 0.000 2.032 583 K HA 0.020 4.339 4.320 -0.002 0.000 0.209 583 K C 2.493 179.118 176.600 0.041 0.000 1.048 583 K CA 0.886 57.206 56.287 0.054 0.000 0.927 583 K CB -0.336 32.170 32.500 0.010 0.000 0.712 583 K HN 0.234 nan 8.250 nan 0.000 0.441 584 L N -0.062 121.186 121.223 0.041 0.000 2.046 584 L HA -0.219 4.120 4.340 -0.002 0.000 0.208 584 L C 2.549 179.501 176.870 0.137 0.000 1.077 584 L CA 1.327 56.210 54.840 0.071 0.000 0.747 584 L CB -0.389 41.721 42.059 0.086 0.000 0.896 584 L HN 0.262 nan 8.230 nan 0.000 0.432 585 H N -0.941 118.197 119.070 0.114 0.000 2.387 585 H HA -0.149 4.406 4.556 -0.002 0.000 0.299 585 H C 2.110 177.531 175.328 0.156 0.000 1.090 585 H CA 1.661 57.826 56.048 0.195 0.000 1.332 585 H CB -0.071 29.901 29.762 0.349 0.000 1.386 585 H HN 0.007 nan 8.280 nan 0.000 0.516 586 V N 0.423 120.442 119.914 0.176 0.000 2.252 586 V HA -0.300 3.819 4.120 -0.002 0.000 0.249 586 V C 2.627 178.707 176.094 -0.023 0.000 1.056 586 V CA 2.074 64.449 62.300 0.125 0.000 1.022 586 V CB -0.682 31.254 31.823 0.189 0.000 0.641 586 V HN 0.390 nan 8.190 nan 0.000 0.445 587 L N -0.666 120.457 121.223 -0.166 0.000 2.083 587 L HA -0.204 4.135 4.340 -0.002 0.000 0.209 587 L C 2.724 179.438 176.870 -0.261 0.000 1.083 587 L CA 1.809 56.349 54.840 -0.501 0.000 0.752 587 L CB -0.637 40.816 42.059 -1.010 0.000 0.899 587 L HN 0.266 nan 8.230 nan 0.000 0.433 588 R N 0.051 120.534 120.500 -0.028 0.000 2.070 588 R HA -0.145 4.194 4.340 -0.002 0.000 0.233 588 R C 2.205 178.589 176.300 0.140 0.000 1.137 588 R CA 1.745 57.952 56.100 0.177 0.000 0.945 588 R CB -0.181 30.177 30.300 0.096 0.000 0.845 588 R HN 0.173 nan 8.270 nan 0.000 0.430 589 V N 1.352 121.243 119.914 -0.037 0.000 2.427 589 V HA -0.250 3.869 4.120 -0.002 0.000 0.248 589 V C 2.489 178.620 176.094 0.060 0.000 1.051 589 V CA 1.574 63.864 62.300 -0.017 0.000 1.048 589 V CB -0.476 31.305 31.823 -0.071 0.000 0.666 589 V HN 0.451 nan 8.190 nan 0.000 0.456 590 M N -0.410 119.235 119.600 0.076 0.000 2.117 590 M HA -0.187 4.292 4.480 -0.002 0.000 0.262 590 M C 2.162 178.591 176.300 0.215 0.000 1.065 590 M CA 2.132 57.503 55.300 0.118 0.000 1.114 590 M CB -0.611 32.023 32.600 0.055 0.000 1.361 590 M HN 0.418 nan 8.290 nan 0.000 0.408 591 F N 1.432 121.476 119.950 0.157 0.000 2.146 591 F HA -0.167 4.358 4.527 -0.002 0.000 0.298 591 F C 1.938 177.853 175.800 0.193 0.000 1.096 591 F CA 1.868 60.041 58.000 0.289 0.000 1.275 591 F CB -0.386 38.908 39.000 0.489 0.000 1.008 591 F HN 0.254 nan 8.300 nan 0.000 0.480 592 E N -0.492 119.786 120.200 0.131 0.000 2.265 592 E HA -0.146 4.203 4.350 -0.002 0.000 0.196 592 E C 2.161 178.680 176.600 -0.136 0.000 0.996 592 E CA 1.140 57.525 56.400 -0.025 0.000 0.832 592 E CB -0.047 29.684 29.700 0.052 0.000 0.756 592 E HN 0.325 nan 8.360 nan 0.000 0.491 593 V N -1.162 118.674 119.914 -0.130 0.000 2.500 593 V HA -0.101 4.018 4.120 -0.002 0.000 0.243 593 V C 0.848 176.682 176.094 -0.433 0.000 1.039 593 V CA 1.060 63.181 62.300 -0.298 0.000 1.053 593 V CB -0.100 31.519 31.823 -0.340 0.000 0.695 593 V HN 0.388 nan 8.190 nan 0.000 0.463 594 W N 0.786 122.021 121.300 -0.109 0.000 2.926 594 W HA 0.270 4.929 4.660 -0.002 0.000 0.419 594 W C 2.088 178.489 176.519 -0.198 0.000 0.993 594 W CA -0.670 56.614 57.345 -0.101 0.000 2.025 594 W CB 0.194 29.617 29.460 -0.061 0.000 1.152 594 W HN 0.114 nan 8.180 nan 0.000 0.659 595 R N 0.066 120.426 120.500 -0.233 0.000 2.211 595 R HA -0.154 4.184 4.340 -0.002 0.000 0.240 595 R C 0.836 177.044 176.300 -0.154 0.000 1.144 595 R CA 1.465 57.280 56.100 -0.475 0.000 0.992 595 R CB -0.446 29.400 30.300 -0.757 0.000 0.869 595 R HN 0.136 nan 8.270 nan 0.000 0.462 596 N N -0.002 118.687 118.700 -0.017 0.000 2.412 596 N HA -0.070 4.669 4.740 -0.002 0.000 0.184 596 N C -0.245 175.320 175.510 0.093 0.000 1.101 596 N CA 0.553 53.617 53.050 0.024 0.000 0.881 596 N CB 0.121 38.620 38.487 0.021 0.000 0.969 596 N HN 0.269 nan 8.380 nan 0.000 0.459 597 H N 0.761 119.870 119.070 0.065 0.000 2.340 597 H HA 0.322 4.877 4.556 -0.002 0.000 0.233 597 H C -1.827 173.428 175.328 -0.121 0.000 1.435 597 H CA -2.430 53.626 56.048 0.013 0.000 1.389 597 H CB 0.979 30.794 29.762 0.088 0.000 1.491 597 H HN -0.093 nan 8.280 nan 0.000 0.518 598 P HA -0.242 nan 4.420 nan 0.000 0.216 598 P C 1.774 178.997 177.300 -0.128 0.000 1.157 598 P CA 1.539 64.404 63.100 -0.391 0.000 0.880 598 P CB 0.379 31.685 31.700 -0.657 0.000 0.791 599 Q N -1.134 118.692 119.800 0.043 0.000 2.096 599 Q HA -0.247 4.092 4.340 -0.002 0.000 0.204 599 Q C 2.092 177.961 176.000 -0.219 0.000 0.982 599 Q CA 1.918 57.747 55.803 0.044 0.000 0.850 599 Q CB -0.518 28.374 28.738 0.258 0.000 0.901 599 Q HN 0.072 nan 8.270 nan 0.000 0.422 600 M N 0.397 119.654 119.600 -0.573 0.000 2.117 600 M HA -0.160 4.319 4.480 -0.002 0.000 0.262 600 M C 1.664 177.631 176.300 -0.555 0.000 1.065 600 M CA 1.384 56.147 55.300 -0.895 0.000 1.114 600 M CB -0.262 31.379 32.600 -1.599 0.000 1.361 600 M HN 0.280 nan 8.290 nan 0.000 0.408 601 I N 0.566 120.972 120.570 -0.273 0.000 2.118 601 I HA -0.280 3.889 4.170 -0.002 0.000 0.241 601 I C 2.531 178.634 176.117 -0.023 0.000 1.070 601 I CA 1.729 63.017 61.300 -0.021 0.000 1.327 601 I CB -2.178 35.970 38.000 0.247 0.000 1.034 601 I HN 0.408 nan 8.210 nan 0.000 0.405 602 A N 1.260 124.080 122.820 0.000 0.000 1.883 602 A HA -0.185 4.134 4.320 -0.002 0.000 0.217 602 A C 2.420 179.941 177.584 -0.104 0.000 1.186 602 A CA 2.808 54.850 52.037 0.008 0.000 0.624 602 A CB -1.188 17.843 19.000 0.052 0.000 0.822 602 A HN 0.396 nan 8.150 nan 0.000 0.444 603 V N -2.125 117.643 119.914 -0.244 0.000 2.626 603 V HA -0.137 3.982 4.120 -0.002 0.000 0.252 603 V C 2.216 178.221 176.094 -0.149 0.000 1.067 603 V CA 1.803 63.948 62.300 -0.258 0.000 1.081 603 V CB -0.911 30.576 31.823 -0.560 0.000 0.686 603 V HN 0.454 nan 8.190 nan 0.000 0.468 604 L N -0.241 120.874 121.223 -0.180 0.000 2.072 604 L HA -0.038 4.301 4.340 -0.002 0.000 0.205 604 L C 2.719 179.505 176.870 -0.139 0.000 1.079 604 L CA 1.145 55.918 54.840 -0.112 0.000 0.752 604 L CB -0.539 41.443 42.059 -0.128 0.000 0.906 604 L HN 0.221 nan 8.230 nan 0.000 0.436 605 V N 0.372 120.204 119.914 -0.138 0.000 2.295 605 V HA -0.348 3.771 4.120 -0.002 0.000 0.246 605 V C 2.202 178.215 176.094 -0.135 0.000 1.049 605 V CA 2.296 64.507 62.300 -0.148 0.000 1.024 605 V CB -0.498 31.269 31.823 -0.092 0.000 0.648 605 V HN 0.518 nan 8.190 nan 0.000 0.447 606 D N -0.063 120.262 120.400 -0.125 0.000 2.104 606 D HA -0.256 4.383 4.640 -0.002 0.000 0.194 606 D C 2.129 178.316 176.300 -0.189 0.000 0.994 606 D CA 1.632 55.549 54.000 -0.138 0.000 0.830 606 D CB -0.108 40.610 40.800 -0.136 0.000 0.959 606 D HN 0.218 nan 8.370 nan 0.000 0.452 607 K N -0.288 119.965 120.400 -0.244 0.000 2.097 607 K HA -0.014 4.305 4.320 -0.002 0.000 0.205 607 K C 2.125 178.596 176.600 -0.216 0.000 1.050 607 K CA 1.184 57.288 56.287 -0.305 0.000 0.938 607 K CB -0.229 32.024 32.500 -0.411 0.000 0.718 607 K HN 0.273 nan 8.250 nan 0.000 0.442 608 M N -0.438 119.042 119.600 -0.200 0.000 2.175 608 M HA -0.103 4.376 4.480 -0.002 0.000 0.264 608 M C 1.980 178.191 176.300 -0.149 0.000 1.063 608 M CA 1.407 56.584 55.300 -0.205 0.000 1.119 608 M CB -0.256 32.206 32.600 -0.230 0.000 1.377 608 M HN 0.092 nan 8.290 nan 0.000 0.415 609 I N -0.277 120.212 120.570 -0.135 0.000 2.233 609 I HA -0.246 3.923 4.170 -0.002 0.000 0.243 609 I C 2.449 178.502 176.117 -0.106 0.000 1.093 609 I CA 1.258 62.494 61.300 -0.107 0.000 1.380 609 I CB -0.323 37.617 38.000 -0.100 0.000 1.067 609 I HN 0.228 nan 8.210 nan 0.000 0.413 610 R N 0.177 120.602 120.500 -0.126 0.000 2.152 610 R HA -0.121 4.218 4.340 -0.002 0.000 0.232 610 R C 1.570 177.812 176.300 -0.097 0.000 1.117 610 R CA 1.783 57.806 56.100 -0.129 0.000 0.981 610 R CB -0.387 29.821 30.300 -0.152 0.000 0.870 610 R HN 0.472 nan 8.270 nan 0.000 0.451 611 T N -2.903 111.609 114.554 -0.069 0.000 3.176 611 T HA 0.155 4.504 4.350 -0.002 0.000 0.263 611 T C -0.006 174.765 174.700 0.117 0.000 1.021 611 T CA -0.457 61.655 62.100 0.021 0.000 0.905 611 T CB 0.512 69.412 68.868 0.054 0.000 1.057 611 T HN 0.024 nan 8.240 nan 0.000 0.558 612 Q N 0.038 119.850 119.800 0.020 0.000 2.468 612 Q HA -0.180 4.159 4.340 -0.002 0.000 0.256 612 Q C 0.980 176.976 176.000 -0.006 0.000 0.984 612 Q CA 0.840 56.657 55.803 0.024 0.000 1.110 612 Q CB -2.377 26.402 28.738 0.068 0.000 1.527 612 Q HN 0.570 nan 8.270 nan 0.000 0.535 613 I N -1.287 119.240 120.570 -0.073 0.000 2.252 613 I HA -0.081 4.088 4.170 -0.002 0.000 0.245 613 I C 1.412 177.492 176.117 -0.061 0.000 1.102 613 I CA 1.755 62.972 61.300 -0.138 0.000 1.385 613 I CB -0.759 37.057 38.000 -0.306 0.000 1.064 613 I HN 0.299 nan 8.210 nan 0.000 0.414 614 V N -0.945 118.925 119.914 -0.073 0.000 3.158 614 V HA 0.651 4.770 4.120 -0.002 0.000 0.311 614 V C -1.309 174.757 176.094 -0.047 0.000 1.181 614 V CA -0.974 61.295 62.300 -0.052 0.000 1.054 614 V CB 2.210 33.984 31.823 -0.082 0.000 1.085 614 V HN 0.252 nan 8.190 nan 0.000 0.446 615 D N -0.792 119.588 120.400 -0.033 0.000 2.414 615 D HA 0.438 5.077 4.640 -0.002 0.000 0.241 615 D C 0.900 177.181 176.300 -0.031 0.000 1.008 615 D CA -0.327 53.658 54.000 -0.026 0.000 1.001 615 D CB 1.144 41.940 40.800 -0.006 0.000 1.277 615 D HN 0.565 nan 8.370 nan 0.000 0.538 616 C N 0.170 119.451 119.300 -0.032 0.000 2.401 616 C HA -0.040 4.419 4.460 -0.002 0.000 0.276 616 C C 2.821 177.788 174.990 -0.040 0.000 1.233 616 C CA 1.530 60.522 59.018 -0.044 0.000 1.753 616 C CB -1.505 26.200 27.740 -0.058 0.000 2.029 616 C HN 0.799 nan 8.230 nan 0.000 0.478 617 A N 0.656 123.455 122.820 -0.034 0.000 1.883 617 A HA -0.010 4.309 4.320 -0.002 0.000 0.217 617 A C 2.388 179.969 177.584 -0.004 0.000 1.186 617 A CA 2.368 54.387 52.037 -0.031 0.000 0.624 617 A CB -1.004 17.979 19.000 -0.028 0.000 0.822 617 A HN 0.605 nan 8.150 nan 0.000 0.444 618 A N -0.555 122.266 122.820 0.001 0.000 1.865 618 A HA -0.055 4.264 4.320 -0.002 0.000 0.217 618 A C 2.248 179.878 177.584 0.077 0.000 1.191 618 A CA 1.988 54.039 52.037 0.024 0.000 0.623 618 A CB -1.166 17.831 19.000 -0.006 0.000 0.826 618 A HN 0.470 nan 8.150 nan 0.000 0.444 619 V N -0.005 119.941 119.914 0.053 0.000 2.332 619 V HA -0.300 3.819 4.120 -0.002 0.000 0.248 619 V C 3.064 179.270 176.094 0.186 0.000 1.055 619 V CA 2.119 64.501 62.300 0.138 0.000 1.038 619 V CB -1.409 30.448 31.823 0.057 0.000 0.651 619 V HN 0.653 nan 8.190 nan 0.000 0.450 620 A N 0.359 123.226 122.820 0.080 0.000 1.865 620 A HA -0.269 4.050 4.320 -0.002 0.000 0.217 620 A C 2.120 179.808 177.584 0.173 0.000 1.191 620 A CA 2.203 54.287 52.037 0.079 0.000 0.623 620 A CB -0.757 18.239 19.000 -0.005 0.000 0.826 620 A HN 0.598 nan 8.150 nan 0.000 0.444 621 N N -1.506 117.267 118.700 0.122 0.000 2.120 621 N HA -0.203 4.536 4.740 -0.002 0.000 0.188 621 N C 1.513 177.133 175.510 0.184 0.000 1.024 621 N CA 1.664 54.789 53.050 0.125 0.000 0.852 621 N CB -0.500 38.027 38.487 0.066 0.000 1.003 621 N HN 0.795 nan 8.380 nan 0.000 0.424 622 W N 2.508 123.806 121.300 -0.003 0.000 2.338 622 W HA -0.071 4.588 4.660 -0.002 0.000 0.304 622 W C 1.869 178.328 176.519 -0.100 0.000 1.212 622 W CA 0.771 58.089 57.345 -0.044 0.000 1.264 622 W CB -0.376 29.050 29.460 -0.056 0.000 1.142 622 W HN -0.098 nan 8.180 nan 0.000 0.512 623 I N 0.275 120.684 120.570 -0.267 0.000 2.236 623 I HA -0.312 3.857 4.170 -0.002 0.000 0.249 623 I C 1.801 177.531 176.117 -0.645 0.000 1.102 623 I CA 1.776 62.660 61.300 -0.692 0.000 1.365 623 I CB -1.756 35.861 38.000 -0.637 0.000 1.051 623 I HN -0.029 nan 8.210 nan 0.000 0.420 624 F N 0.923 120.716 119.950 -0.261 0.000 2.727 624 F HA 0.095 4.621 4.527 -0.002 0.000 0.302 624 F C 1.765 177.430 175.800 -0.224 0.000 1.097 624 F CA -0.342 57.542 58.000 -0.193 0.000 1.330 624 F CB -0.547 38.355 39.000 -0.164 0.000 1.084 624 F HN -0.056 nan 8.300 nan 0.000 0.578 625 S N -0.154 115.476 115.700 -0.118 0.000 2.576 625 S HA -0.013 4.456 4.470 -0.002 0.000 0.272 625 S C 1.656 176.169 174.600 -0.144 0.000 1.352 625 S CA -0.023 58.119 58.200 -0.096 0.000 1.021 625 S CB 1.058 64.216 63.200 -0.071 0.000 0.887 625 S HN 0.324 nan 8.310 nan 0.000 0.542 626 S N 0.746 116.402 115.700 -0.074 0.000 2.423 626 S HA -0.131 4.338 4.470 -0.002 0.000 0.231 626 S C 1.334 175.886 174.600 -0.079 0.000 1.014 626 S CA 1.094 59.254 58.200 -0.068 0.000 0.965 626 S CB -0.782 62.406 63.200 -0.021 0.000 0.785 626 S HN 0.784 nan 8.310 nan 0.000 0.495 627 E N 1.015 121.164 120.200 -0.085 0.000 2.204 627 E HA 0.061 4.410 4.350 -0.002 0.000 0.195 627 E C 1.266 177.705 176.600 -0.269 0.000 0.990 627 E CA 0.681 57.032 56.400 -0.083 0.000 0.821 627 E CB -0.317 29.380 29.700 -0.007 0.000 0.750 627 E HN 0.427 nan 8.360 nan 0.000 0.477 628 L N 0.025 120.984 121.223 -0.440 0.000 2.667 628 L HA 0.112 4.451 4.340 -0.002 0.000 0.232 628 L C 1.744 178.492 176.870 -0.203 0.000 1.138 628 L CA 0.381 54.905 54.840 -0.527 0.000 0.921 628 L CB -0.262 41.279 42.059 -0.863 0.000 1.180 628 L HN 0.068 nan 8.230 nan 0.000 0.487 629 S N -0.194 115.433 115.700 -0.121 0.000 2.387 629 S HA -0.261 4.208 4.470 -0.002 0.000 0.230 629 S C 2.046 176.710 174.600 0.107 0.000 1.035 629 S CA 1.192 59.376 58.200 -0.028 0.000 1.014 629 S CB -0.358 62.807 63.200 -0.058 0.000 0.836 629 S HN 0.493 nan 8.310 nan 0.000 0.466 630 R N 0.869 121.429 120.500 0.099 0.000 2.276 630 R HA 0.157 4.496 4.340 -0.002 0.000 0.203 630 R C 0.767 177.183 176.300 0.193 0.000 1.017 630 R CA 1.051 57.243 56.100 0.154 0.000 1.010 630 R CB -0.113 30.272 30.300 0.141 0.000 0.900 630 R HN 0.508 nan 8.270 nan 0.000 0.469 631 D N -0.581 119.916 120.400 0.162 0.000 2.433 631 D HA -0.007 4.632 4.640 -0.002 0.000 0.211 631 D C 0.931 177.233 176.300 0.004 0.000 1.114 631 D CA -0.038 54.057 54.000 0.160 0.000 0.837 631 D CB 0.196 41.158 40.800 0.270 0.000 0.984 631 D HN 0.038 nan 8.370 nan 0.000 0.505 632 F N 2.410 122.292 119.950 -0.112 0.000 2.192 632 F HA -0.221 4.305 4.527 -0.002 0.000 0.301 632 F C 2.317 178.134 175.800 0.028 0.000 1.079 632 F CA 1.688 59.590 58.000 -0.162 0.000 1.303 632 F CB -0.178 38.820 39.000 -0.003 0.000 1.024 632 F HN -0.062 nan 8.300 nan 0.000 0.494 633 T N -1.877 112.761 114.554 0.140 0.000 3.107 633 T HA 0.181 4.530 4.350 -0.002 0.000 0.249 633 T C 0.813 175.585 174.700 0.120 0.000 1.096 633 T CA -0.380 61.784 62.100 0.107 0.000 1.012 633 T CB -0.419 68.515 68.868 0.111 0.000 0.977 633 T HN 0.076 nan 8.240 nan 0.000 0.527 634 R N 0.241 120.774 120.500 0.054 0.000 2.441 634 R HA 0.449 4.787 4.340 -0.002 0.000 0.284 634 R C 0.832 177.175 176.300 0.072 0.000 1.070 634 R CA -0.743 55.420 56.100 0.104 0.000 1.047 634 R CB 0.723 31.162 30.300 0.232 0.000 1.016 634 R HN 0.029 nan 8.270 nan 0.000 0.477 635 L N 2.528 123.871 121.223 0.200 0.000 2.021 635 L HA -0.274 4.065 4.340 -0.002 0.000 0.215 635 L C 2.142 179.105 176.870 0.155 0.000 1.074 635 L CA 1.946 56.924 54.840 0.230 0.000 0.760 635 L CB -0.683 41.513 42.059 0.228 0.000 0.889 635 L HN 0.744 nan 8.230 nan 0.000 0.433 636 F N -1.890 118.098 119.950 0.062 0.000 2.192 636 F HA -0.173 4.353 4.527 -0.002 0.000 0.301 636 F C 2.117 177.851 175.800 -0.109 0.000 1.079 636 F CA 1.269 59.281 58.000 0.020 0.000 1.303 636 F CB -1.603 37.427 39.000 0.050 0.000 1.024 636 F HN -0.126 nan 8.300 nan 0.000 0.494 637 V N 0.283 119.448 119.914 -1.249 0.000 2.287 637 V HA -0.315 3.804 4.120 -0.002 0.000 0.248 637 V C 2.137 177.564 176.094 -1.111 0.000 1.053 637 V CA 2.309 63.788 62.300 -1.369 0.000 1.027 637 V CB -1.071 29.729 31.823 -1.705 0.000 0.646 637 V HN 0.568 nan 8.190 nan 0.000 0.447 638 W N 0.110 121.180 121.300 -0.384 0.000 2.518 638 W HA 0.004 4.663 4.660 -0.002 0.000 0.273 638 W C 2.436 178.896 176.519 -0.098 0.000 1.247 638 W CA 0.652 57.826 57.345 -0.285 0.000 1.288 638 W CB -0.328 29.044 29.460 -0.146 0.000 1.107 638 W HN 0.247 nan 8.180 nan 0.000 0.586 639 E N 0.675 120.954 120.200 0.132 0.000 2.110 639 E HA -0.190 4.159 4.350 -0.002 0.000 0.193 639 E C 1.962 178.621 176.600 0.097 0.000 0.988 639 E CA 1.367 57.881 56.400 0.190 0.000 0.804 639 E CB -0.451 29.360 29.700 0.185 0.000 0.745 639 E HN 0.362 nan 8.360 nan 0.000 0.458 640 I N 0.797 121.364 120.570 -0.005 0.000 2.252 640 I HA -0.228 3.941 4.170 -0.002 0.000 0.245 640 I C 2.495 178.568 176.117 -0.073 0.000 1.102 640 I CA 0.471 61.766 61.300 -0.009 0.000 1.385 640 I CB -0.128 37.888 38.000 0.027 0.000 1.064 640 I HN 0.110 nan 8.210 nan 0.000 0.414 641 L N 0.484 121.575 121.223 -0.221 0.000 2.046 641 L HA -0.237 4.102 4.340 -0.002 0.000 0.208 641 L C 2.610 179.374 176.870 -0.176 0.000 1.077 641 L CA 2.051 56.736 54.840 -0.258 0.000 0.747 641 L CB -0.888 40.927 42.059 -0.406 0.000 0.896 641 L HN 0.257 nan 8.230 nan 0.000 0.432 642 H N -1.848 117.278 119.070 0.094 0.000 2.428 642 H HA -0.005 4.550 4.556 -0.002 0.000 0.296 642 H C 2.454 177.841 175.328 0.098 0.000 1.062 642 H CA 1.271 57.406 56.048 0.144 0.000 1.350 642 H CB -0.322 29.555 29.762 0.193 0.000 1.403 642 H HN 0.417 nan 8.280 nan 0.000 0.533 643 S N 0.060 115.857 115.700 0.161 0.000 2.402 643 S HA -0.115 4.354 4.470 -0.002 0.000 0.229 643 S C 2.065 176.689 174.600 0.040 0.000 1.021 643 S CA 1.494 59.753 58.200 0.098 0.000 0.974 643 S CB -0.174 63.066 63.200 0.066 0.000 0.800 643 S HN 0.399 nan 8.310 nan 0.000 0.484 644 T N 2.342 116.899 114.554 0.005 0.000 2.737 644 T HA 0.059 4.408 4.350 -0.002 0.000 0.265 644 T C 1.687 176.347 174.700 -0.067 0.000 1.038 644 T CA 1.490 63.566 62.100 -0.040 0.000 1.144 644 T CB -0.339 68.493 68.868 -0.059 0.000 0.866 644 T HN 0.406 nan 8.240 nan 0.000 0.434 645 I N 0.643 121.161 120.570 -0.086 0.000 2.226 645 I HA -0.167 4.002 4.170 -0.002 0.000 0.245 645 I C 2.807 178.877 176.117 -0.078 0.000 1.100 645 I CA 1.239 62.422 61.300 -0.195 0.000 1.374 645 I CB -0.328 37.489 38.000 -0.305 0.000 1.057 645 I HN 0.121 nan 8.210 nan 0.000 0.413 646 R N 0.828 121.356 120.500 0.047 0.000 2.081 646 R HA -0.165 4.174 4.340 -0.002 0.000 0.235 646 R C 2.287 178.617 176.300 0.050 0.000 1.131 646 R CA 1.278 57.435 56.100 0.095 0.000 0.960 646 R CB -0.251 30.124 30.300 0.125 0.000 0.856 646 R HN 0.375 nan 8.270 nan 0.000 0.436 647 K N 0.050 120.459 120.400 0.015 0.000 2.097 647 K HA -0.133 4.186 4.320 -0.002 0.000 0.205 647 K C 2.029 178.633 176.600 0.008 0.000 1.050 647 K CA 1.290 57.572 56.287 -0.007 0.000 0.938 647 K CB -0.096 32.379 32.500 -0.042 0.000 0.718 647 K HN 0.012 nan 8.250 nan 0.000 0.442 648 M N 1.517 121.120 119.600 0.004 0.000 2.175 648 M HA -0.126 4.353 4.480 -0.002 0.000 0.264 648 M C 1.097 177.454 176.300 0.095 0.000 1.063 648 M CA 1.731 57.058 55.300 0.044 0.000 1.119 648 M CB -0.223 32.358 32.600 -0.032 0.000 1.377 648 M HN 0.102 nan 8.290 nan 0.000 0.415 649 N N -0.656 118.093 118.700 0.081 0.000 2.453 649 N HA -0.108 4.631 4.740 -0.002 0.000 0.183 649 N C 0.925 176.504 175.510 0.115 0.000 1.041 649 N CA 0.764 53.887 53.050 0.122 0.000 0.900 649 N CB 0.009 38.579 38.487 0.137 0.000 0.961 649 N HN 0.445 nan 8.380 nan 0.000 0.443 650 K N -0.136 120.326 120.400 0.102 0.000 2.367 650 K HA 0.034 4.353 4.320 -0.002 0.000 0.194 650 K C -0.065 176.616 176.600 0.136 0.000 1.027 650 K CA -0.040 56.303 56.287 0.094 0.000 1.075 650 K CB 0.224 32.760 32.500 0.060 0.000 0.845 650 K HN 0.320 nan 8.250 nan 0.000 0.529 651 H N 1.540 120.627 119.070 0.028 0.000 2.955 651 H HA 0.087 4.642 4.556 -0.002 0.000 0.290 651 H C -0.594 174.752 175.328 0.030 0.000 1.047 651 H CA -0.497 55.565 56.048 0.022 0.000 1.484 651 H CB 0.712 30.484 29.762 0.016 0.000 1.501 651 H HN -0.175 nan 8.280 nan 0.000 0.521 652 V N 6.262 126.289 119.914 0.188 0.000 2.614 652 V HA 0.342 4.461 4.120 -0.002 0.000 0.291 652 V C 0.691 176.746 176.094 -0.065 0.000 1.049 652 V CA 0.962 63.294 62.300 0.053 0.000 1.038 652 V CB 0.183 32.047 31.823 0.068 0.000 0.980 652 V HN 1.189 nan 8.190 nan 0.000 0.481 703 Q N 0.188 119.989 119.800 0.001 0.000 2.248 703 Q HA -0.172 4.167 4.340 -0.002 0.000 0.208 703 Q C 1.945 177.986 176.000 0.069 0.000 0.984 703 Q CA 1.949 57.793 55.803 0.069 0.000 0.875 703 Q CB -0.179 28.604 28.738 0.074 0.000 0.910 703 Q HN 0.644 nan 8.270 nan 0.000 0.433 704 S N 0.792 116.506 115.700 0.024 0.000 2.357 704 S HA -0.161 4.308 4.470 -0.002 0.000 0.221 704 S C 1.820 176.423 174.600 0.005 0.000 1.031 704 S CA 0.995 59.201 58.200 0.010 0.000 0.982 704 S CB -0.133 63.066 63.200 -0.003 0.000 0.853 704 S HN 0.385 nan 8.310 nan 0.000 0.458 705 E N 1.152 121.353 120.200 0.002 0.000 2.110 705 E HA -0.222 4.127 4.350 -0.002 0.000 0.193 705 E C 2.244 178.857 176.600 0.021 0.000 0.988 705 E CA 0.922 57.325 56.400 0.005 0.000 0.804 705 E CB -0.091 29.615 29.700 0.011 0.000 0.745 705 E HN 0.534 nan 8.360 nan 0.000 0.458 706 Q N 0.810 120.650 119.800 0.066 0.000 2.030 706 Q HA -0.251 4.088 4.340 -0.002 0.000 0.204 706 Q C 2.209 178.339 176.000 0.217 0.000 0.986 706 Q CA 1.982 57.873 55.803 0.147 0.000 0.843 706 Q CB -0.080 28.797 28.738 0.233 0.000 0.904 706 Q HN 0.067 nan 8.270 nan 0.000 0.420 707 K N 0.079 120.552 120.400 0.122 0.000 2.057 707 K HA -0.163 4.156 4.320 -0.002 0.000 0.207 707 K C 1.611 178.154 176.600 -0.095 0.000 1.049 707 K CA 1.794 57.980 56.287 -0.169 0.000 0.931 707 K CB -0.114 32.143 32.500 -0.405 0.000 0.714 707 K HN 0.336 nan 8.250 nan 0.000 0.440 708 N N 0.495 119.163 118.700 -0.053 0.000 2.166 708 N HA -0.177 4.562 4.740 -0.002 0.000 0.186 708 N C 1.783 177.261 175.510 -0.054 0.000 1.019 708 N CA 0.850 53.871 53.050 -0.047 0.000 0.856 708 N CB -0.099 38.365 38.487 -0.038 0.000 0.993 708 N HN 0.085 nan 8.380 nan 0.000 0.426 709 L N 0.691 121.868 121.223 -0.077 0.000 1.989 709 L HA -0.119 4.220 4.340 -0.002 0.000 0.211 709 L C 1.679 178.399 176.870 -0.250 0.000 1.071 709 L CA 1.662 56.392 54.840 -0.184 0.000 0.749 709 L CB -0.784 41.108 42.059 -0.278 0.000 0.890 709 L HN 0.068 nan 8.230 nan 0.000 0.431 710 F N -1.439 118.425 119.950 -0.143 0.000 2.126 710 F HA -0.258 4.268 4.527 -0.002 0.000 0.299 710 F C 2.215 177.856 175.800 -0.264 0.000 1.096 710 F CA 0.984 58.816 58.000 -0.279 0.000 1.255 710 F CB -0.517 38.465 39.000 -0.030 0.000 0.997 710 F HN 0.108 nan 8.300 nan 0.000 0.479 711 L N -0.309 120.989 121.223 0.126 0.000 2.012 711 L HA -0.198 4.141 4.340 -0.002 0.000 0.210 711 L C 2.418 179.316 176.870 0.048 0.000 1.073 711 L CA 1.339 56.272 54.840 0.154 0.000 0.748 711 L CB -1.122 40.966 42.059 0.047 0.000 0.891 711 L HN -0.057 nan 8.230 nan 0.000 0.431 712 V N -0.410 119.473 119.914 -0.051 0.000 2.295 712 V HA -0.315 3.804 4.120 -0.002 0.000 0.246 712 V C 2.429 178.413 176.094 -0.182 0.000 1.049 712 V CA 1.904 64.140 62.300 -0.107 0.000 1.024 712 V CB -0.387 31.369 31.823 -0.112 0.000 0.648 712 V HN 0.346 nan 8.190 nan 0.000 0.447 713 I N -0.919 119.523 120.570 -0.213 0.000 2.163 713 I HA -0.259 3.910 4.170 -0.002 0.000 0.243 713 I C 2.355 178.423 176.117 -0.081 0.000 1.085 713 I CA 1.782 62.939 61.300 -0.240 0.000 1.347 713 I CB -0.481 37.389 38.000 -0.216 0.000 1.044 713 I HN 0.223 nan 8.210 nan 0.000 0.408 714 F N 1.086 121.114 119.950 0.130 0.000 2.134 714 F HA -0.215 4.311 4.527 -0.002 0.000 0.299 714 F C 2.712 178.509 175.800 -0.005 0.000 1.097 714 F CA 1.242 59.347 58.000 0.175 0.000 1.264 714 F CB -1.066 38.030 39.000 0.160 0.000 1.001 714 F HN 0.101 nan 8.300 nan 0.000 0.479 715 Q N -0.223 119.620 119.800 0.072 0.000 2.061 715 Q HA -0.188 4.151 4.340 -0.002 0.000 0.204 715 Q C 2.388 178.312 176.000 -0.127 0.000 0.984 715 Q CA 1.341 57.111 55.803 -0.055 0.000 0.846 715 Q CB -0.125 28.565 28.738 -0.080 0.000 0.902 715 Q HN 0.218 nan 8.270 nan 0.000 0.421 716 R N -0.263 120.036 120.500 -0.335 0.000 2.092 716 R HA -0.085 4.254 4.340 -0.002 0.000 0.231 716 R C 2.017 178.089 176.300 -0.381 0.000 1.119 716 R CA 1.048 56.788 56.100 -0.599 0.000 0.970 716 R CB -0.714 28.696 30.300 -1.484 0.000 0.864 716 R HN 0.256 nan 8.270 nan 0.000 0.440 717 F N 1.145 120.992 119.950 -0.171 0.000 2.113 717 F HA -0.101 4.425 4.527 -0.002 0.000 0.297 717 F C 2.383 178.285 175.800 0.170 0.000 1.103 717 F CA 0.740 58.847 58.000 0.178 0.000 1.248 717 F CB -0.387 38.797 39.000 0.307 0.000 0.999 717 F HN -0.150 nan 8.300 nan 0.000 0.475 718 I N -0.549 120.192 120.570 0.286 0.000 2.208 718 I HA -0.352 3.817 4.170 -0.002 0.000 0.245 718 I C 2.437 178.641 176.117 0.145 0.000 1.097 718 I CA 1.598 62.996 61.300 0.164 0.000 1.363 718 I CB -1.199 36.792 38.000 -0.016 0.000 1.051 718 I HN 0.239 nan 8.210 nan 0.000 0.413 719 M N 0.754 120.406 119.600 0.087 0.000 2.067 719 M HA -0.203 4.276 4.480 -0.002 0.000 0.260 719 M C 2.335 178.711 176.300 0.128 0.000 1.069 719 M CA 1.966 57.306 55.300 0.067 0.000 1.117 719 M CB -0.122 32.477 32.600 -0.001 0.000 1.334 719 M HN 0.235 nan 8.290 nan 0.000 0.407 720 I N -2.048 118.631 120.570 0.181 0.000 2.394 720 I HA -0.207 3.962 4.170 -0.002 0.000 0.251 720 I C 1.846 178.206 176.117 0.404 0.000 1.136 720 I CA 1.213 62.672 61.300 0.265 0.000 1.425 720 I CB -0.613 37.581 38.000 0.323 0.000 1.079 720 I HN 0.271 nan 8.210 nan 0.000 0.425 721 L N 0.998 122.476 121.223 0.426 0.000 2.072 721 L HA -0.101 4.238 4.340 -0.002 0.000 0.205 721 L C 2.748 179.846 176.870 0.379 0.000 1.079 721 L CA 1.636 56.766 54.840 0.484 0.000 0.752 721 L CB -0.793 41.532 42.059 0.444 0.000 0.906 721 L HN 0.264 nan 8.230 nan 0.000 0.436 722 T N -0.917 113.794 114.554 0.262 0.000 2.708 722 T HA -0.261 4.088 4.350 -0.002 0.000 0.266 722 T C 1.752 176.540 174.700 0.146 0.000 1.037 722 T CA 1.617 63.825 62.100 0.181 0.000 1.146 722 T CB -0.141 68.800 68.868 0.121 0.000 0.865 722 T HN 0.356 nan 8.240 nan 0.000 0.435 723 E N -0.092 120.193 120.200 0.142 0.000 2.085 723 E HA -0.264 4.085 4.350 -0.002 0.000 0.194 723 E C 2.071 178.718 176.600 0.079 0.000 0.994 723 E CA 1.432 57.883 56.400 0.085 0.000 0.801 723 E CB -0.096 29.643 29.700 0.064 0.000 0.743 723 E HN 0.656 nan 8.360 nan 0.000 0.453 724 H N 0.194 119.302 119.070 0.063 0.000 2.299 724 H HA -0.070 4.485 4.556 -0.002 0.000 0.302 724 H C 2.073 177.412 175.328 0.018 0.000 1.078 724 H CA 2.013 58.079 56.048 0.030 0.000 1.323 724 H CB -0.304 29.587 29.762 0.216 0.000 1.381 724 H HN 0.132 nan 8.280 nan 0.000 0.498 725 L N -0.495 120.743 121.223 0.024 0.000 2.012 725 L HA -0.192 4.147 4.340 -0.002 0.000 0.210 725 L C 2.617 179.429 176.870 -0.097 0.000 1.073 725 L CA 1.259 56.044 54.840 -0.090 0.000 0.748 725 L CB -0.518 41.573 42.059 0.053 0.000 0.891 725 L HN 0.218 nan 8.230 nan 0.000 0.431 726 V N -0.291 119.603 119.914 -0.032 0.000 2.295 726 V HA -0.295 3.824 4.120 -0.002 0.000 0.246 726 V C 2.653 178.705 176.094 -0.070 0.000 1.049 726 V CA 1.924 64.206 62.300 -0.031 0.000 1.024 726 V CB -0.637 31.184 31.823 -0.002 0.000 0.648 726 V HN 0.431 nan 8.190 nan 0.000 0.447 727 R N -0.858 119.585 120.500 -0.096 0.000 2.120 727 R HA -0.180 4.159 4.340 -0.002 0.000 0.234 727 R C 2.256 178.467 176.300 -0.147 0.000 1.123 727 R CA 1.981 58.014 56.100 -0.111 0.000 0.975 727 R CB -0.510 29.720 30.300 -0.118 0.000 0.866 727 R HN 0.549 nan 8.270 nan 0.000 0.446 728 C N 0.210 119.373 119.300 -0.228 0.000 2.440 728 C HA -0.034 4.425 4.460 -0.002 0.000 0.278 728 C C 2.430 177.342 174.990 -0.130 0.000 1.295 728 C CA 0.805 59.688 59.018 -0.226 0.000 1.738 728 C CB -0.510 27.020 27.740 -0.350 0.000 1.987 728 C HN 0.596 nan 8.230 nan 0.000 0.492 729 E N 1.144 121.282 120.200 -0.104 0.000 2.031 729 E HA -0.168 4.181 4.350 -0.002 0.000 0.193 729 E C 2.036 178.608 176.600 -0.047 0.000 0.994 729 E CA 2.393 58.758 56.400 -0.058 0.000 0.800 729 E CB -0.442 29.236 29.700 -0.036 0.000 0.752 729 E HN 0.533 nan 8.360 nan 0.000 0.447 730 T N 0.478 115.002 114.554 -0.049 0.000 2.674 730 T HA -0.117 4.232 4.350 -0.002 0.000 0.265 730 T C 1.190 175.866 174.700 -0.040 0.000 1.039 730 T CA 1.544 63.621 62.100 -0.038 0.000 1.150 730 T CB -0.486 68.360 68.868 -0.036 0.000 0.864 730 T HN 0.192 nan 8.240 nan 0.000 0.427 731 D N 0.315 120.684 120.400 -0.053 0.000 2.312 731 D HA 0.165 4.804 4.640 -0.002 0.000 0.211 731 D C 1.574 177.848 176.300 -0.043 0.000 0.964 731 D CA 0.970 54.941 54.000 -0.048 0.000 0.877 731 D CB -0.470 40.294 40.800 -0.060 0.000 0.924 731 D HN 0.494 nan 8.370 nan 0.000 0.515 732 G N 0.567 109.338 108.800 -0.048 0.000 2.160 732 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.251 732 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.251 732 G C 0.578 175.454 174.900 -0.040 0.000 1.008 732 G CA 0.838 45.915 45.100 -0.039 0.000 0.724 732 G HN 0.470 nan 8.290 nan 0.000 0.514 733 T N -1.443 113.078 114.554 -0.056 0.000 2.862 733 T HA 0.707 5.056 4.350 -0.002 0.000 0.276 733 T C 0.844 175.511 174.700 -0.056 0.000 0.974 733 T CA 0.297 62.369 62.100 -0.047 0.000 0.966 733 T CB 1.616 70.456 68.868 -0.047 0.000 1.072 733 T HN 1.465 nan 8.240 nan 0.000 0.538 734 S N 0.232 115.915 115.700 -0.029 0.000 2.548 734 S HA 0.225 4.694 4.470 -0.002 0.000 0.277 734 S C 1.209 175.782 174.600 -0.044 0.000 1.315 734 S CA -0.862 57.323 58.200 -0.025 0.000 1.050 734 S CB 0.784 63.991 63.200 0.011 0.000 0.918 734 S HN 0.542 nan 8.310 nan 0.000 0.497 735 V N 2.841 122.693 119.914 -0.103 0.000 2.379 735 V HA -0.054 4.065 4.120 -0.002 0.000 0.245 735 V C 1.242 177.284 176.094 -0.086 0.000 1.044 735 V CA 1.197 63.376 62.300 -0.200 0.000 1.036 735 V CB -0.786 30.787 31.823 -0.418 0.000 0.664 735 V HN 0.808 nan 8.190 nan 0.000 0.453 736 L N 2.968 124.175 121.223 -0.027 0.000 2.451 736 L HA 0.182 4.521 4.340 -0.002 0.000 0.272 736 L C 0.591 177.580 176.870 0.198 0.000 1.258 736 L CA -0.022 54.899 54.840 0.134 0.000 1.132 736 L CB -1.191 40.940 42.059 0.121 0.000 1.361 736 L HN 0.408 nan 8.230 nan 0.000 0.438 737 T N -2.202 112.530 114.554 0.297 0.000 2.952 737 T HA 0.429 4.778 4.350 -0.002 0.000 0.286 737 T C -1.565 173.297 174.700 0.270 0.000 1.024 737 T CA -1.941 60.320 62.100 0.268 0.000 1.029 737 T CB 2.063 71.119 68.868 0.314 0.000 1.094 737 T HN 0.104 nan 8.240 nan 0.000 0.515 738 P HA -0.103 nan 4.420 nan 0.000 0.216 738 P C 1.145 178.554 177.300 0.182 0.000 1.150 738 P CA 1.042 64.243 63.100 0.168 0.000 0.837 738 P CB -0.104 31.685 31.700 0.149 0.000 0.786 739 W N 0.310 121.662 121.300 0.087 0.000 2.354 739 W HA -0.246 4.413 4.660 -0.002 0.000 0.315 739 W C 2.597 179.132 176.519 0.028 0.000 1.206 739 W CA 1.411 58.802 57.345 0.076 0.000 1.290 739 W CB -1.243 28.258 29.460 0.069 0.000 1.152 739 W HN -0.131 nan 8.180 nan 0.000 0.489 740 Y N 1.880 122.294 120.300 0.191 0.000 2.128 740 Y HA -0.316 4.233 4.550 -0.002 0.000 0.284 740 Y C 2.657 178.475 175.900 -0.136 0.000 1.154 740 Y CA 2.894 60.965 58.100 -0.048 0.000 1.149 740 Y CB -0.954 37.534 38.460 0.047 0.000 0.976 740 Y HN 0.032 nan 8.280 nan 0.000 0.505 741 K N 0.066 120.396 120.400 -0.116 0.000 2.113 741 K HA -0.302 4.017 4.320 -0.002 0.000 0.208 741 K C 2.017 178.430 176.600 -0.312 0.000 1.047 741 K CA 1.925 58.100 56.287 -0.186 0.000 0.928 741 K CB -0.391 32.095 32.500 -0.023 0.000 0.716 741 K HN 0.446 nan 8.250 nan 0.000 0.446 742 N N 0.148 118.650 118.700 -0.330 0.000 2.135 742 N HA -0.166 4.573 4.740 -0.002 0.000 0.186 742 N C 1.890 177.090 175.510 -0.517 0.000 1.027 742 N CA 1.591 54.406 53.050 -0.391 0.000 0.849 742 N CB -0.564 37.718 38.487 -0.342 0.000 1.002 742 N HN 0.302 nan 8.380 nan 0.000 0.425 743 C N -0.146 118.779 119.300 -0.625 0.000 2.413 743 C HA -0.027 4.432 4.460 -0.002 0.000 0.277 743 C C 2.583 177.350 174.990 -0.371 0.000 1.228 743 C CA 0.463 59.211 59.018 -0.451 0.000 1.731 743 C CB -1.473 25.855 27.740 -0.686 0.000 2.042 743 C HN 0.555 nan 8.230 nan 0.000 0.468 744 I N 0.766 121.007 120.570 -0.548 0.000 2.208 744 I HA -0.156 4.013 4.170 -0.002 0.000 0.245 744 I C 2.416 178.335 176.117 -0.331 0.000 1.097 744 I CA 1.826 62.864 61.300 -0.436 0.000 1.363 744 I CB -1.256 36.362 38.000 -0.636 0.000 1.051 744 I HN 0.529 nan 8.210 nan 0.000 0.413 745 E N -0.503 119.487 120.200 -0.350 0.000 2.208 745 E HA -0.142 4.207 4.350 -0.002 0.000 0.193 745 E C 2.159 178.561 176.600 -0.330 0.000 0.988 745 E CA 0.344 56.577 56.400 -0.278 0.000 0.828 745 E CB 0.139 29.692 29.700 -0.245 0.000 0.763 745 E HN 0.284 nan 8.360 nan 0.000 0.478 746 R N 0.405 120.612 120.500 -0.488 0.000 2.115 746 R HA -0.076 4.263 4.340 -0.002 0.000 0.226 746 R C 2.356 178.354 176.300 -0.503 0.000 1.100 746 R CA 0.513 56.249 56.100 -0.608 0.000 0.980 746 R CB -0.638 28.951 30.300 -1.186 0.000 0.875 746 R HN 0.203 nan 8.270 nan 0.000 0.445 747 L N 1.587 122.345 121.223 -0.775 0.000 2.056 747 L HA -0.127 4.212 4.340 -0.002 0.000 0.207 747 L C 2.429 179.180 176.870 -0.199 0.000 1.078 747 L CA 1.831 56.113 54.840 -0.931 0.000 0.749 747 L CB -0.762 40.800 42.059 -0.829 0.000 0.901 747 L HN 0.160 nan 8.230 nan 0.000 0.433 748 Q N -0.617 119.124 119.800 -0.098 0.000 2.096 748 Q HA -0.325 4.014 4.340 -0.002 0.000 0.204 748 Q C 2.326 178.387 176.000 0.102 0.000 0.982 748 Q CA 2.357 58.208 55.803 0.080 0.000 0.850 748 Q CB -0.278 28.447 28.738 -0.022 0.000 0.901 748 Q HN 0.782 nan 8.270 nan 0.000 0.422 749 Q N -0.254 119.537 119.800 -0.015 0.000 2.124 749 Q HA -0.174 4.165 4.340 -0.002 0.000 0.202 749 Q C 2.033 178.097 176.000 0.107 0.000 0.977 749 Q CA 1.319 57.129 55.803 0.012 0.000 0.850 749 Q CB -0.015 28.696 28.738 -0.045 0.000 0.901 749 Q HN 0.446 nan 8.270 nan 0.000 0.429 750 I N 0.357 121.015 120.570 0.148 0.000 2.163 750 I HA -0.263 3.906 4.170 -0.002 0.000 0.243 750 I C 1.994 178.235 176.117 0.207 0.000 1.085 750 I CA 1.413 62.862 61.300 0.248 0.000 1.347 750 I CB -1.308 36.762 38.000 0.118 0.000 1.044 750 I HN 0.231 nan 8.210 nan 0.000 0.408 751 F N 0.977 121.032 119.950 0.175 0.000 2.102 751 F HA -0.161 4.365 4.527 -0.002 0.000 0.298 751 F C 2.517 178.410 175.800 0.155 0.000 1.105 751 F CA 1.217 59.245 58.000 0.047 0.000 1.239 751 F CB -0.914 38.029 39.000 -0.096 0.000 0.991 751 F HN -0.040 nan 8.300 nan 0.000 0.474 752 L N -0.714 120.695 121.223 0.311 0.000 2.056 752 L HA -0.223 4.116 4.340 -0.002 0.000 0.207 752 L C 2.438 179.409 176.870 0.169 0.000 1.078 752 L CA 1.439 56.416 54.840 0.229 0.000 0.749 752 L CB -0.740 41.382 42.059 0.105 0.000 0.901 752 L HN 0.171 nan 8.230 nan 0.000 0.433 753 Q N -0.816 118.975 119.800 -0.015 0.000 2.297 753 Q HA -0.129 4.210 4.340 -0.002 0.000 0.204 753 Q C 0.598 176.228 176.000 -0.617 0.000 0.962 753 Q CA 0.957 56.560 55.803 -0.334 0.000 0.879 753 Q CB 0.358 28.795 28.738 -0.502 0.000 0.947 753 Q HN 0.562 nan 8.270 nan 0.000 0.462 754 H N -1.906 117.229 119.070 0.108 0.000 2.750 754 H HA 0.059 4.614 4.556 -0.002 0.000 0.239 754 H C 0.487 175.792 175.328 -0.039 0.000 1.210 754 H CA 0.387 56.449 56.048 0.023 0.000 0.936 754 H CB 0.165 30.037 29.762 0.183 0.000 2.074 754 H HN 0.475 nan 8.280 nan 0.000 0.622 755 H N -0.127 119.062 119.070 0.198 0.000 2.390 755 H HA -0.205 4.350 4.556 -0.002 0.000 0.298 755 H C 2.133 177.580 175.328 0.199 0.000 1.106 755 H CA 1.880 58.119 56.048 0.319 0.000 1.297 755 H CB 0.086 30.031 29.762 0.305 0.000 1.375 755 H HN 0.206 nan 8.280 nan 0.000 0.509 756 Q N 1.026 120.645 119.800 -0.302 0.000 1.985 756 Q HA -0.129 4.210 4.340 -0.002 0.000 0.207 756 Q C 2.301 178.249 176.000 -0.087 0.000 0.996 756 Q CA 2.510 58.231 55.803 -0.137 0.000 0.851 756 Q CB -0.397 28.207 28.738 -0.223 0.000 0.921 756 Q HN 0.663 nan 8.270 nan 0.000 0.418 757 I N -0.136 120.353 120.570 -0.134 0.000 2.142 757 I HA -0.261 3.908 4.170 -0.002 0.000 0.240 757 I C 2.189 177.988 176.117 -0.531 0.000 1.078 757 I CA 1.172 62.317 61.300 -0.258 0.000 1.343 757 I CB -0.377 37.510 38.000 -0.189 0.000 1.046 757 I HN 0.267 nan 8.210 nan 0.000 0.405 758 I N 0.402 120.695 120.570 -0.461 0.000 2.399 758 I HA -0.340 3.829 4.170 -0.002 0.000 0.254 758 I C 2.565 178.615 176.117 -0.111 0.000 1.146 758 I CA 1.275 62.332 61.300 -0.405 0.000 1.412 758 I CB -0.496 37.408 38.000 -0.160 0.000 1.076 758 I HN 0.379 nan 8.210 nan 0.000 0.432 759 Q N 0.962 120.797 119.800 0.058 0.000 2.234 759 Q HA -0.249 4.090 4.340 -0.002 0.000 0.206 759 Q C 2.074 178.082 176.000 0.013 0.000 0.980 759 Q CA 1.394 57.286 55.803 0.148 0.000 0.869 759 Q CB 0.045 28.839 28.738 0.093 0.000 0.912 759 Q HN 0.577 nan 8.270 nan 0.000 0.436 760 Q N -1.270 118.413 119.800 -0.194 0.000 2.369 760 Q HA -0.119 4.220 4.340 -0.002 0.000 0.206 760 Q C 0.450 176.500 176.000 0.083 0.000 0.963 760 Q CA 0.843 56.570 55.803 -0.127 0.000 0.894 760 Q CB 0.224 28.824 28.738 -0.230 0.000 0.965 760 Q HN 0.597 nan 8.270 nan 0.000 0.475 761 Y N -1.176 119.210 120.300 0.143 0.000 2.524 761 Y HA 0.125 4.673 4.550 -0.002 0.000 0.266 761 Y C 1.735 177.758 175.900 0.205 0.000 1.180 761 Y CA -1.086 57.111 58.100 0.161 0.000 1.244 761 Y CB 0.254 38.816 38.460 0.170 0.000 1.125 761 Y HN 0.101 nan 8.280 nan 0.000 0.524 762 M N 0.121 119.923 119.600 0.337 0.000 2.151 762 M HA -0.269 4.210 4.480 -0.002 0.000 0.256 762 M C 2.198 178.669 176.300 0.285 0.000 1.072 762 M CA 1.653 57.155 55.300 0.336 0.000 1.090 762 M CB -1.098 31.639 32.600 0.229 0.000 1.294 762 M HN 0.227 nan 8.290 nan 0.000 0.415 763 V N -0.067 119.973 119.914 0.209 0.000 2.282 763 V HA -0.306 3.812 4.120 -0.002 0.000 0.249 763 V C 2.400 178.584 176.094 0.151 0.000 1.057 763 V CA 2.380 64.776 62.300 0.161 0.000 1.032 763 V CB -1.502 30.396 31.823 0.125 0.000 0.645 763 V HN 0.528 nan 8.190 nan 0.000 0.447 764 T N 0.465 115.119 114.554 0.166 0.000 2.708 764 T HA -0.100 4.249 4.350 -0.002 0.000 0.266 764 T C 1.900 176.669 174.700 0.115 0.000 1.037 764 T CA 1.599 63.774 62.100 0.125 0.000 1.146 764 T CB -0.327 68.612 68.868 0.120 0.000 0.865 764 T HN 0.315 nan 8.240 nan 0.000 0.435 765 L N 0.666 121.995 121.223 0.177 0.000 2.046 765 L HA -0.087 4.251 4.340 -0.002 0.000 0.208 765 L C 2.768 179.625 176.870 -0.023 0.000 1.077 765 L CA 1.403 56.315 54.840 0.119 0.000 0.747 765 L CB -0.605 41.585 42.059 0.219 0.000 0.896 765 L HN 0.332 nan 8.230 nan 0.000 0.432 766 E N 0.047 120.304 120.200 0.095 0.000 2.072 766 E HA -0.160 4.189 4.350 -0.002 0.000 0.191 766 E C 1.799 178.436 176.600 0.062 0.000 0.985 766 E CA 1.114 57.582 56.400 0.112 0.000 0.801 766 E CB -0.047 29.801 29.700 0.246 0.000 0.750 766 E HN 0.525 nan 8.360 nan 0.000 0.452 767 N N 0.057 118.796 118.700 0.064 0.000 2.402 767 N HA 0.025 4.764 4.740 -0.002 0.000 0.174 767 N C 1.813 177.330 175.510 0.013 0.000 1.027 767 N CA 0.660 53.735 53.050 0.043 0.000 0.891 767 N CB 0.451 38.970 38.487 0.052 0.000 1.016 767 N HN 0.156 nan 8.380 nan 0.000 0.439 768 L N -0.368 120.855 121.223 -0.000 0.000 2.500 768 L HA 0.249 4.588 4.340 -0.002 0.000 0.219 768 L C 1.828 178.650 176.870 -0.079 0.000 1.057 768 L CA 0.267 55.092 54.840 -0.025 0.000 0.854 768 L CB 0.142 42.197 42.059 -0.007 0.000 1.078 768 L HN -0.030 nan 8.230 nan 0.000 0.480 769 L N -1.355 119.788 121.223 -0.134 0.000 2.546 769 L HA 0.167 4.506 4.340 -0.002 0.000 0.182 769 L C 0.309 176.899 176.870 -0.467 0.000 1.167 769 L CA 0.298 54.947 54.840 -0.319 0.000 0.845 769 L CB 0.085 41.894 42.059 -0.417 0.000 1.134 769 L HN -0.012 nan 8.230 nan 0.000 0.500 770 F N 1.728 121.486 119.950 -0.319 0.000 2.626 770 F HA 0.117 4.643 4.527 -0.002 0.000 0.353 770 F C 1.052 176.721 175.800 -0.218 0.000 1.230 770 F CA -0.551 57.235 58.000 -0.357 0.000 1.298 770 F CB -0.523 37.973 39.000 -0.840 0.000 1.670 770 F HN 0.045 nan 8.300 nan 0.000 0.633 771 T N -2.278 112.259 114.554 -0.028 0.000 2.862 771 T HA 0.543 4.892 4.350 -0.002 0.000 0.276 771 T C 1.407 176.135 174.700 0.046 0.000 0.974 771 T CA -0.381 61.727 62.100 0.013 0.000 0.966 771 T CB 1.657 70.520 68.868 -0.008 0.000 1.072 771 T HN 0.329 nan 8.240 nan 0.000 0.538 772 A N 0.102 122.952 122.820 0.049 0.000 2.178 772 A HA -0.029 4.290 4.320 -0.002 0.000 0.218 772 A C 2.090 179.701 177.584 0.045 0.000 1.157 772 A CA 0.839 52.908 52.037 0.053 0.000 0.689 772 A CB -0.785 18.242 19.000 0.045 0.000 0.787 772 A HN 0.839 nan 8.150 nan 0.000 0.465 773 E N -0.093 120.127 120.200 0.033 0.000 2.347 773 E HA 0.019 4.368 4.350 -0.002 0.000 0.196 773 E C 0.474 177.098 176.600 0.041 0.000 1.008 773 E CA 0.155 56.572 56.400 0.028 0.000 0.852 773 E CB -0.271 29.436 29.700 0.013 0.000 0.783 773 E HN 0.621 nan 8.360 nan 0.000 0.505 774 L N 1.745 123.001 121.223 0.054 0.000 2.436 774 L HA 0.101 4.440 4.340 -0.002 0.000 0.265 774 L C 0.919 177.853 176.870 0.107 0.000 1.168 774 L CA -0.424 54.465 54.840 0.082 0.000 0.815 774 L CB 0.381 42.502 42.059 0.103 0.000 1.109 774 L HN -0.066 nan 8.230 nan 0.000 0.462 775 D N 3.750 124.231 120.400 0.135 0.000 2.455 775 D HA 0.006 4.645 4.640 -0.002 0.000 0.241 775 D C -1.497 174.903 176.300 0.166 0.000 1.138 775 D CA -1.252 52.842 54.000 0.157 0.000 0.877 775 D CB 1.627 42.554 40.800 0.213 0.000 1.187 775 D HN 0.298 nan 8.370 nan 0.000 0.451 776 P HA -0.203 nan 4.420 nan 0.000 0.218 776 P C 0.793 178.126 177.300 0.056 0.000 1.146 776 P CA 1.445 64.569 63.100 0.041 0.000 0.813 776 P CB 0.087 31.757 31.700 -0.050 0.000 0.778 777 H N -0.393 118.764 119.070 0.144 0.000 2.352 777 H HA -0.050 4.505 4.556 -0.002 0.000 0.299 777 H C 2.234 177.693 175.328 0.217 0.000 1.097 777 H CA 1.412 57.575 56.048 0.191 0.000 1.311 777 H CB -0.650 29.261 29.762 0.249 0.000 1.377 777 H HN 0.138 nan 8.280 nan 0.000 0.504 778 I N -0.296 120.490 120.570 0.361 0.000 2.233 778 I HA -0.195 3.974 4.170 -0.002 0.000 0.243 778 I C 2.062 178.371 176.117 0.319 0.000 1.093 778 I CA 0.413 61.918 61.300 0.343 0.000 1.380 778 I CB -0.105 38.101 38.000 0.342 0.000 1.067 778 I HN 0.244 nan 8.210 nan 0.000 0.413 779 L N 1.271 122.659 121.223 0.275 0.000 2.127 779 L HA -0.196 4.143 4.340 -0.002 0.000 0.211 779 L C 2.755 179.729 176.870 0.173 0.000 1.089 779 L CA 2.152 57.146 54.840 0.255 0.000 0.757 779 L CB -1.254 40.919 42.059 0.190 0.000 0.899 779 L HN 0.245 nan 8.230 nan 0.000 0.434 780 A N -0.975 121.918 122.820 0.122 0.000 1.940 780 A HA -0.168 4.151 4.320 -0.002 0.000 0.219 780 A C 2.349 179.940 177.584 0.012 0.000 1.176 780 A CA 1.859 53.928 52.037 0.053 0.000 0.631 780 A CB -0.680 18.351 19.000 0.051 0.000 0.814 780 A HN 0.278 nan 8.150 nan 0.000 0.446 781 V N -1.373 118.565 119.914 0.040 0.000 2.358 781 V HA -0.215 3.904 4.120 -0.002 0.000 0.246 781 V C 2.262 178.207 176.094 -0.248 0.000 1.047 781 V CA 2.006 64.281 62.300 -0.042 0.000 1.035 781 V CB -0.943 30.914 31.823 0.056 0.000 0.658 781 V HN 0.631 nan 8.190 nan 0.000 0.452 782 F N 1.143 120.827 119.950 -0.443 0.000 2.186 782 F HA -0.179 4.347 4.527 -0.002 0.000 0.299 782 F C 2.438 178.021 175.800 -0.363 0.000 1.090 782 F CA 1.780 59.356 58.000 -0.708 0.000 1.307 782 F CB -0.301 38.237 39.000 -0.771 0.000 1.019 782 F HN 0.177 nan 8.300 nan 0.000 0.489 783 Q N -0.335 119.297 119.800 -0.279 0.000 2.119 783 Q HA -0.216 4.123 4.340 -0.002 0.000 0.201 783 Q C 2.204 178.021 176.000 -0.305 0.000 0.972 783 Q CA 1.638 57.262 55.803 -0.299 0.000 0.847 783 Q CB -0.303 28.368 28.738 -0.111 0.000 0.903 783 Q HN 0.555 nan 8.270 nan 0.000 0.433 784 Q N -0.143 119.517 119.800 -0.234 0.000 2.084 784 Q HA -0.178 4.161 4.340 -0.002 0.000 0.202 784 Q C 1.826 177.690 176.000 -0.228 0.000 0.978 784 Q CA 1.433 57.129 55.803 -0.177 0.000 0.844 784 Q CB -0.176 28.492 28.738 -0.117 0.000 0.898 784 Q HN 0.360 nan 8.270 nan 0.000 0.426 785 F N 0.231 119.873 119.950 -0.513 0.000 2.134 785 F HA -0.266 4.260 4.527 -0.002 0.000 0.299 785 F C 2.092 177.610 175.800 -0.470 0.000 1.097 785 F CA 1.080 58.749 58.000 -0.553 0.000 1.264 785 F CB -0.764 37.612 39.000 -1.039 0.000 1.001 785 F HN 0.077 nan 8.300 nan 0.000 0.479 786 C N 0.881 119.654 119.300 -0.879 0.000 2.413 786 C HA -0.132 4.327 4.460 -0.002 0.000 0.276 786 C C 3.189 177.853 174.990 -0.543 0.000 1.236 786 C CA 1.501 60.023 59.018 -0.828 0.000 1.735 786 C CB -1.792 25.558 27.740 -0.651 0.000 2.031 786 C HN 0.675 nan 8.230 nan 0.000 0.474 787 A N -0.044 122.553 122.820 -0.372 0.000 2.032 787 A HA -0.144 4.175 4.320 -0.002 0.000 0.221 787 A C 2.011 179.433 177.584 -0.269 0.000 1.165 787 A CA 1.475 53.376 52.037 -0.227 0.000 0.645 787 A CB -0.642 18.317 19.000 -0.068 0.000 0.807 787 A HN 0.696 nan 8.150 nan 0.000 0.453 788 L N -1.487 119.534 121.223 -0.335 0.000 2.127 788 L HA -0.198 4.141 4.340 -0.002 0.000 0.211 788 L C 2.005 178.685 176.870 -0.317 0.000 1.089 788 L CA 1.218 55.858 54.840 -0.333 0.000 0.757 788 L CB -0.281 41.565 42.059 -0.354 0.000 0.899 788 L HN 0.422 nan 8.230 nan 0.000 0.434 789 Q N -1.381 118.226 119.800 -0.321 0.000 2.127 789 Q HA 0.346 4.685 4.340 -0.002 0.000 0.222 789 Q C 0.339 176.229 176.000 -0.183 0.000 0.794 789 Q CA 0.081 55.750 55.803 -0.224 0.000 1.010 789 Q CB 1.146 29.760 28.738 -0.206 0.000 1.170 789 Q HN 0.333 nan 8.270 nan 0.000 0.479 790 A N 0.000 122.693 122.820 -0.211 0.000 2.254 790 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 790 A CA 0.000 51.936 52.037 -0.168 0.000 0.836 790 A CB 0.000 18.897 19.000 -0.172 0.000 0.831 790 A HN 0.000 nan 8.150 nan 0.000 0.486