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 2z7x_1_A DATA FIRST_RESID 27 DATA SEQUENCE SLScDRNGIc KGSSGSLNSI PSGLTEAVKS LDLSNNRITY ISNSDLQRCV DATA SEQUENCE NLQALVLTSN GINTIEEDSF SSLGSLEHLD LSYNYLSNLS SSWFKPLSSL DATA SEQUENCE TFLNLLGNPY KTLGETSLFS HLTKLQILRV GNMDTFTKIQ RKDFAGLTFL DATA SEQUENCE EELEIDASDL QSYEPKSLKS IQNVSHLILH MKQHILLLEI FVDVTSSVEC DATA SEQUENCE LELRDTDLDT FHFSELSTGE TNSLIKKFTF RNVKITDESL FQVMKLLNQI DATA SEQUENCE SGLLELEFDD CTLNGVGNFR ASDNDRVIDP GKVETLTIRR LHIPRFYLFY DATA SEQUENCE DLSTLYSLTE RVKRITVENS KVFLVPcLLS QHLKSLEYLD LSENLMVEEY DATA SEQUENCE LKNSAcEDAW PSLQTLILRQ NHLASLEKTG ETLLTLKNLT NIDISKNSFH DATA SEQUENCE SMPETcQWPE KMKYLNLSST RIHSVTGcIP KTLEILDVSN NNLNLFSLNL DATA SEQUENCE PQLKELYISR NKLMTLPDAS LLPMLLVLKI SRNQLKSVPD GIFDRLTSLQ DATA SEQUENCE KIWLHTNPWD cScPRIDYLS RWLNKNSQKE QGSAKcSGSG KPVRSIIcP 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 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.605 174.600 0.009 0.000 1.055 27 S CA 0.000 58.206 58.200 0.009 0.000 1.107 27 S CB 0.000 63.207 63.200 0.011 0.000 0.593 28 L N 2.264 123.492 121.223 0.008 0.000 2.304 28 L HA 0.746 5.073 4.340 -0.021 0.000 0.268 28 L C 0.110 176.983 176.870 0.005 0.000 1.010 28 L CA -0.514 54.330 54.840 0.007 0.000 0.813 28 L CB 1.918 43.981 42.059 0.007 0.000 1.315 28 L HN 0.316 nan 8.230 nan 0.000 0.445 29 S N -1.256 114.446 115.700 0.004 0.000 2.399 29 S HA 0.278 4.736 4.470 -0.021 0.000 0.198 29 S C -0.251 174.350 174.600 0.001 0.000 1.294 29 S CA -0.834 57.367 58.200 0.002 0.000 1.237 29 S CB -0.250 62.951 63.200 0.001 0.000 1.286 29 S HN 0.537 nan 8.310 nan 0.000 0.404 30 c N 2.190 120.790 118.600 0.001 0.000 2.692 30 c HA 0.213 4.770 4.570 -0.021 0.000 0.409 30 c C 1.170 175.259 174.090 -0.002 0.000 1.284 30 c CA -0.083 56.246 56.329 0.000 0.000 1.909 30 c CB -0.519 41.991 42.510 0.001 0.000 2.713 30 c HN 0.721 nan 8.230 nan 0.000 0.649 31 D N 0.259 120.657 120.400 -0.004 0.000 2.432 31 D HA 0.163 4.790 4.640 -0.021 0.000 0.258 31 D C 0.978 177.275 176.300 -0.005 0.000 1.146 31 D CA -0.578 53.419 54.000 -0.005 0.000 1.015 31 D CB 0.649 41.444 40.800 -0.008 0.000 1.107 31 D HN 0.658 nan 8.370 nan 0.000 0.529 32 R N 0.601 121.097 120.500 -0.006 0.000 2.366 32 R HA 0.049 4.376 4.340 -0.021 0.000 0.201 32 R C 0.072 176.369 176.300 -0.006 0.000 1.057 32 R CA 0.694 56.791 56.100 -0.005 0.000 1.086 32 R CB -0.240 30.056 30.300 -0.006 0.000 0.914 32 R HN 0.162 nan 8.270 nan 0.000 0.476 33 N N -0.205 118.492 118.700 -0.007 0.000 2.143 33 N HA 0.105 4.833 4.740 -0.021 0.000 0.222 33 N C 0.511 176.018 175.510 -0.005 0.000 1.264 33 N CA 0.654 53.700 53.050 -0.007 0.000 0.897 33 N CB 1.748 40.229 38.487 -0.010 0.000 1.092 33 N HN 0.445 nan 8.380 nan 0.000 0.516 34 G N 1.119 109.917 108.800 -0.004 0.000 2.144 34 G HA2 -0.188 3.759 3.960 -0.021 0.000 0.218 34 G HA3 -0.188 3.759 3.960 -0.021 0.000 0.218 34 G C -0.287 174.611 174.900 -0.003 0.000 0.988 34 G CA -0.426 44.673 45.100 -0.002 0.000 0.659 34 G HN 0.174 nan 8.290 nan 0.000 0.522 35 I N 1.804 122.371 120.570 -0.005 0.000 2.256 35 I HA 0.271 4.429 4.170 -0.021 0.000 0.294 35 I C 0.935 177.050 176.117 -0.003 0.000 1.127 35 I CA -1.137 60.160 61.300 -0.006 0.000 1.247 35 I CB -0.330 37.664 38.000 -0.011 0.000 1.460 35 I HN 0.106 nan 8.210 nan 0.000 0.511 36 c N 6.333 124.933 118.600 -0.000 0.000 2.514 36 c HA 0.269 4.826 4.570 -0.021 0.000 0.392 36 c C 1.007 175.099 174.090 0.003 0.000 1.294 36 c CA -0.682 55.648 56.329 0.002 0.000 1.957 36 c CB -0.248 42.265 42.510 0.004 0.000 2.541 36 c HN 0.581 nan 8.230 nan 0.000 0.569 37 K N 1.890 122.292 120.400 0.002 0.000 2.185 37 K HA 0.460 4.768 4.320 -0.021 0.000 0.269 37 K C 0.454 177.058 176.600 0.006 0.000 0.987 37 K CA -0.064 56.225 56.287 0.003 0.000 0.865 37 K CB 1.359 33.860 32.500 0.001 0.000 1.090 37 K HN 0.872 nan 8.250 nan 0.000 0.450 38 G N 1.601 110.406 108.800 0.008 0.000 2.865 38 G HA2 -0.016 3.931 3.960 -0.021 0.000 0.292 38 G HA3 -0.016 3.931 3.960 -0.021 0.000 0.292 38 G C 0.720 175.625 174.900 0.009 0.000 0.800 38 G CA -0.237 44.869 45.100 0.010 0.000 1.838 38 G HN 0.586 nan 8.290 nan 0.000 0.535 39 S N 2.132 117.836 115.700 0.007 0.000 2.446 39 S HA -0.104 4.353 4.470 -0.021 0.000 0.200 39 S C 1.885 176.489 174.600 0.007 0.000 1.248 39 S CA 1.092 59.295 58.200 0.006 0.000 1.813 39 S CB -0.442 62.761 63.200 0.005 0.000 0.870 39 S HN 0.553 nan 8.310 nan 0.000 0.371 40 S N 1.293 116.997 115.700 0.007 0.000 2.752 40 S HA 0.227 4.684 4.470 -0.021 0.000 0.329 40 S C 0.402 175.008 174.600 0.010 0.000 1.204 40 S CA 0.036 58.241 58.200 0.008 0.000 1.252 40 S CB -0.877 62.328 63.200 0.007 0.000 1.053 40 S HN 0.695 nan 8.310 nan 0.000 0.533 41 G N 3.913 112.719 108.800 0.010 0.000 2.734 41 G HA2 0.350 4.298 3.960 -0.021 0.000 0.287 41 G HA3 0.350 4.298 3.960 -0.021 0.000 0.287 41 G C 0.351 175.259 174.900 0.013 0.000 0.728 41 G CA -0.437 44.670 45.100 0.013 0.000 1.999 41 G HN 0.706 nan 8.290 nan 0.000 0.535 42 S N 0.663 116.372 115.700 0.014 0.000 2.927 42 S HA 0.051 4.508 4.470 -0.021 0.000 0.246 42 S C 0.146 174.755 174.600 0.015 0.000 0.907 42 S CA -0.515 57.693 58.200 0.013 0.000 1.326 42 S CB 0.104 63.310 63.200 0.010 0.000 1.216 42 S HN 0.329 nan 8.310 nan 0.000 0.652 43 L N 3.329 124.563 121.223 0.017 0.000 2.638 43 L HA 0.201 4.529 4.340 -0.021 0.000 0.273 43 L C 1.545 178.429 176.870 0.024 0.000 1.147 43 L CA 0.491 55.343 54.840 0.020 0.000 0.941 43 L CB -0.574 41.498 42.059 0.022 0.000 1.251 43 L HN 0.327 nan 8.230 nan 0.000 0.479 44 N N 0.485 119.198 118.700 0.022 0.000 2.272 44 N HA -0.132 4.595 4.740 -0.021 0.000 0.185 44 N C 0.359 175.892 175.510 0.037 0.000 1.014 44 N CA 0.843 53.907 53.050 0.024 0.000 0.870 44 N CB 0.367 38.864 38.487 0.017 0.000 0.975 44 N HN 0.823 nan 8.380 nan 0.000 0.433 45 S N -1.382 114.343 115.700 0.041 0.000 2.694 45 S HA 0.318 4.776 4.470 -0.021 0.000 0.273 45 S C -0.868 173.761 174.600 0.048 0.000 1.180 45 S CA -0.977 57.257 58.200 0.057 0.000 0.864 45 S CB 0.771 64.015 63.200 0.075 0.000 1.198 45 S HN 0.044 nan 8.310 nan 0.000 0.499 46 I N 2.426 123.028 120.570 0.054 0.000 2.471 46 I HA 0.332 4.489 4.170 -0.021 0.000 0.286 46 I C -2.252 173.890 176.117 0.041 0.000 1.079 46 I CA -1.865 59.461 61.300 0.043 0.000 1.398 46 I CB 0.200 38.228 38.000 0.046 0.000 1.403 46 I HN 0.435 nan 8.210 nan 0.000 0.530 47 P HA -0.100 nan 4.420 nan 0.000 0.269 47 P C -0.253 177.065 177.300 0.030 0.000 1.205 47 P CA 0.012 63.128 63.100 0.027 0.000 0.780 47 P CB 0.426 32.139 31.700 0.021 0.000 0.858 48 S N 2.076 117.792 115.700 0.027 0.000 2.443 48 S HA 0.371 4.828 4.470 -0.021 0.000 0.284 48 S C 0.701 175.316 174.600 0.024 0.000 1.206 48 S CA 0.282 58.499 58.200 0.027 0.000 1.074 48 S CB -1.583 61.631 63.200 0.024 0.000 0.963 48 S HN 0.869 nan 8.310 nan 0.000 0.501 49 G N 5.402 114.218 108.800 0.027 0.000 2.296 49 G HA2 -0.204 3.743 3.960 -0.021 0.000 0.263 49 G HA3 -0.204 3.743 3.960 -0.021 0.000 0.263 49 G C -0.195 174.717 174.900 0.020 0.000 0.887 49 G CA 0.051 45.165 45.100 0.024 0.000 1.318 49 G HN 0.736 nan 8.290 nan 0.000 0.403 50 L N 1.010 122.245 121.223 0.020 0.000 2.479 50 L HA 0.431 4.758 4.340 -0.021 0.000 0.270 50 L C 1.809 178.688 176.870 0.014 0.000 1.236 50 L CA 0.696 55.546 54.840 0.016 0.000 0.823 50 L CB 0.063 42.131 42.059 0.015 0.000 1.098 50 L HN 0.674 nan 8.230 nan 0.000 0.500 51 T N -2.683 111.878 114.554 0.011 0.000 2.853 51 T HA 0.049 4.386 4.350 -0.021 0.000 0.298 51 T C 0.854 175.560 174.700 0.010 0.000 0.978 51 T CA -0.352 61.753 62.100 0.010 0.000 1.152 51 T CB 0.242 69.114 68.868 0.008 0.000 0.914 51 T HN 0.733 nan 8.240 nan 0.000 0.539 52 E N 2.502 122.708 120.200 0.010 0.000 2.338 52 E HA -0.044 4.293 4.350 -0.021 0.000 0.197 52 E C 1.937 178.542 176.600 0.008 0.000 1.007 52 E CA 0.634 57.040 56.400 0.011 0.000 0.849 52 E CB -0.397 29.310 29.700 0.012 0.000 0.774 52 E HN 0.926 nan 8.360 nan 0.000 0.506 53 A N 0.917 123.741 122.820 0.007 0.000 2.250 53 A HA 0.073 4.380 4.320 -0.021 0.000 0.208 53 A C 0.598 178.185 177.584 0.004 0.000 1.254 53 A CA 0.031 52.071 52.037 0.005 0.000 0.858 53 A CB -0.154 18.848 19.000 0.004 0.000 0.820 53 A HN 0.155 nan 8.150 nan 0.000 0.484 54 V N -0.554 119.363 119.914 0.005 0.000 2.567 54 V HA 0.416 4.523 4.120 -0.021 0.000 0.289 54 V C 0.609 176.706 176.094 0.004 0.000 1.049 54 V CA -0.115 62.188 62.300 0.004 0.000 0.969 54 V CB 1.501 33.327 31.823 0.005 0.000 0.995 54 V HN 0.524 nan 8.190 nan 0.000 0.471 55 K N 2.989 123.390 120.400 0.002 0.000 2.424 55 K HA 0.402 4.709 4.320 -0.021 0.000 0.198 55 K C 0.118 176.720 176.600 0.004 0.000 1.190 55 K CA 0.299 56.587 56.287 0.002 0.000 0.935 55 K CB 0.767 33.267 32.500 -0.001 0.000 1.087 55 K HN 0.618 nan 8.250 nan 0.000 0.524 56 S N -0.156 115.545 115.700 0.002 0.000 2.599 56 S HA 0.685 5.143 4.470 -0.021 0.000 0.287 56 S C -0.959 173.645 174.600 0.007 0.000 1.105 56 S CA -0.846 57.357 58.200 0.006 0.000 0.899 56 S CB 1.731 64.929 63.200 -0.002 0.000 1.100 56 S HN 0.007 nan 8.310 nan 0.000 0.482 57 L N 0.721 121.951 121.223 0.013 0.000 2.332 57 L HA 0.693 5.020 4.340 -0.021 0.000 0.242 57 L C -1.577 175.303 176.870 0.016 0.000 1.127 57 L CA -0.810 54.037 54.840 0.011 0.000 0.948 57 L CB 1.942 44.005 42.059 0.006 0.000 1.553 57 L HN 0.673 nan 8.230 nan 0.000 0.419 58 D N 0.633 121.041 120.400 0.015 0.000 2.445 58 D HA 0.250 4.878 4.640 -0.021 0.000 0.236 58 D C -1.302 175.009 176.300 0.018 0.000 1.315 58 D CA -0.166 53.845 54.000 0.018 0.000 0.924 58 D CB 0.733 41.541 40.800 0.013 0.000 1.447 58 D HN 0.149 nan 8.370 nan 0.000 0.532 59 L N 2.509 123.744 121.223 0.020 0.000 3.047 59 L HA 0.387 4.714 4.340 -0.021 0.000 0.242 59 L C -0.164 176.724 176.870 0.030 0.000 1.315 59 L CA -0.102 54.752 54.840 0.023 0.000 1.042 59 L CB -0.042 42.028 42.059 0.020 0.000 1.420 59 L HN 0.289 nan 8.230 nan 0.000 0.517 60 S N 0.791 116.508 115.700 0.029 0.000 2.452 60 S HA 0.299 4.757 4.470 -0.021 0.000 0.284 60 S C 0.298 174.915 174.600 0.029 0.000 1.171 60 S CA -0.376 57.843 58.200 0.033 0.000 1.064 60 S CB 0.435 63.652 63.200 0.028 0.000 0.967 60 S HN 0.571 nan 8.310 nan 0.000 0.484 61 N N 2.961 121.683 118.700 0.037 0.000 2.621 61 N HA -0.153 4.574 4.740 -0.021 0.000 0.269 61 N C -1.425 174.104 175.510 0.032 0.000 1.154 61 N CA 0.546 53.616 53.050 0.034 0.000 0.696 61 N CB -1.082 37.416 38.487 0.019 0.000 0.878 61 N HN 0.567 nan 8.380 nan 0.000 0.550 62 N N 0.607 119.331 118.700 0.039 0.000 2.264 62 N HA 0.267 4.995 4.740 -0.021 0.000 0.288 62 N C -0.684 174.848 175.510 0.036 0.000 1.094 62 N CA -0.825 52.244 53.050 0.032 0.000 0.817 62 N CB 1.249 39.754 38.487 0.030 0.000 1.604 62 N HN 0.042 nan 8.380 nan 0.000 0.473 63 R N 1.777 122.293 120.500 0.027 0.000 2.606 63 R HA 0.278 4.606 4.340 -0.021 0.000 0.276 63 R C -0.084 176.232 176.300 0.028 0.000 1.416 63 R CA 0.287 56.400 56.100 0.022 0.000 1.064 63 R CB -1.229 29.079 30.300 0.013 0.000 1.117 63 R HN 0.529 nan 8.270 nan 0.000 0.543 64 I N 0.085 120.676 120.570 0.036 0.000 2.785 64 I HA 0.330 4.487 4.170 -0.021 0.000 0.302 64 I C 0.773 176.921 176.117 0.052 0.000 1.069 64 I CA -0.503 60.826 61.300 0.049 0.000 1.045 64 I CB 2.603 40.635 38.000 0.053 0.000 1.236 64 I HN 0.286 nan 8.210 nan 0.000 0.429 65 T N 1.265 115.869 114.554 0.083 0.000 3.123 65 T HA 0.151 4.488 4.350 -0.021 0.000 0.259 65 T C -0.804 174.019 174.700 0.204 0.000 0.871 65 T CA 0.030 62.191 62.100 0.102 0.000 0.857 65 T CB 0.246 69.157 68.868 0.072 0.000 1.267 65 T HN 0.376 nan 8.240 nan 0.000 0.556 66 Y N 1.080 121.391 120.300 0.019 0.000 2.425 66 Y HA 0.713 5.251 4.550 -0.021 0.000 0.344 66 Y C -1.465 174.458 175.900 0.037 0.000 0.969 66 Y CA -1.875 56.243 58.100 0.029 0.000 1.052 66 Y CB 1.213 39.688 38.460 0.025 0.000 1.215 66 Y HN 0.046 nan 8.280 nan 0.000 0.451 67 I N 5.087 125.534 120.570 -0.206 0.000 2.540 67 I HA 0.281 4.438 4.170 -0.021 0.000 0.280 67 I C -0.647 175.389 176.117 -0.136 0.000 1.083 67 I CA -0.350 60.898 61.300 -0.086 0.000 1.080 67 I CB 1.319 39.297 38.000 -0.036 0.000 1.205 67 I HN 0.600 nan 8.210 nan 0.000 0.459 68 S N 3.438 119.119 115.700 -0.033 0.000 2.776 68 S HA 0.427 4.885 4.470 -0.021 0.000 0.306 68 S C 0.791 175.428 174.600 0.062 0.000 1.114 68 S CA -0.764 57.436 58.200 -0.001 0.000 0.973 68 S CB 1.263 64.502 63.200 0.066 0.000 1.250 68 S HN 0.653 nan 8.310 nan 0.000 0.549 69 N N 0.161 118.899 118.700 0.063 0.000 2.424 69 N HA -0.056 4.672 4.740 -0.021 0.000 0.178 69 N C 0.580 176.129 175.510 0.065 0.000 1.060 69 N CA 0.633 53.728 53.050 0.075 0.000 0.901 69 N CB -0.304 38.218 38.487 0.059 0.000 0.979 69 N HN 0.615 nan 8.380 nan 0.000 0.451 70 S N 0.204 115.942 115.700 0.063 0.000 2.945 70 S HA 0.294 4.752 4.470 -0.021 0.000 0.227 70 S C -0.484 174.152 174.600 0.061 0.000 1.353 70 S CA -0.403 57.831 58.200 0.057 0.000 1.236 70 S CB -0.429 62.804 63.200 0.055 0.000 1.069 70 S HN 0.417 nan 8.310 nan 0.000 0.509 71 D N -0.892 119.543 120.400 0.060 0.000 2.520 71 D HA 0.089 4.717 4.640 -0.021 0.000 0.386 71 D C 0.020 176.350 176.300 0.049 0.000 1.267 71 D CA -0.391 53.643 54.000 0.056 0.000 0.958 71 D CB -0.349 40.493 40.800 0.069 0.000 1.462 71 D HN 0.348 nan 8.370 nan 0.000 0.438 72 L N 0.662 121.915 121.223 0.051 0.000 3.584 72 L HA 0.312 4.640 4.340 -0.021 0.000 0.354 72 L C 1.073 177.972 176.870 0.048 0.000 1.345 72 L CA 0.068 54.935 54.840 0.045 0.000 0.970 72 L CB 0.213 42.300 42.059 0.046 0.000 1.374 72 L HN 0.097 nan 8.230 nan 0.000 0.612 73 Q N 1.090 120.918 119.800 0.046 0.000 1.990 73 Q HA -0.107 4.221 4.340 -0.021 0.000 0.200 73 Q C 0.920 176.941 176.000 0.036 0.000 0.980 73 Q CA 1.680 57.509 55.803 0.044 0.000 0.832 73 Q CB 0.090 28.851 28.738 0.039 0.000 0.897 73 Q HN 0.607 nan 8.270 nan 0.000 0.427 74 R N -0.173 120.344 120.500 0.029 0.000 4.164 74 R HA 0.213 4.540 4.340 -0.021 0.000 0.195 74 R C -0.917 175.396 176.300 0.022 0.000 1.712 74 R CA -0.059 56.055 56.100 0.024 0.000 1.457 74 R CB -0.461 29.851 30.300 0.019 0.000 1.387 74 R HN 0.102 nan 8.270 nan 0.000 0.785 75 C N 1.437 120.751 119.300 0.024 0.000 3.208 75 C HA 0.085 4.532 4.460 -0.021 0.000 0.250 75 C C 1.344 176.347 174.990 0.021 0.000 2.195 75 C CA -0.869 58.161 59.018 0.020 0.000 1.303 75 C CB 0.035 27.785 27.740 0.017 0.000 2.376 75 C HN 0.743 nan 8.230 nan 0.000 0.545 76 V N 1.895 121.823 119.914 0.023 0.000 2.759 76 V HA -0.091 4.016 4.120 -0.021 0.000 0.256 76 V C 1.543 177.649 176.094 0.020 0.000 1.080 76 V CA 2.032 64.347 62.300 0.025 0.000 1.101 76 V CB -0.199 31.639 31.823 0.024 0.000 0.698 76 V HN 0.710 nan 8.190 nan 0.000 0.477 77 N N 0.467 119.177 118.700 0.016 0.000 2.370 77 N HA 0.097 4.824 4.740 -0.021 0.000 0.198 77 N C 0.137 175.654 175.510 0.011 0.000 1.156 77 N CA 0.019 53.077 53.050 0.013 0.000 0.839 77 N CB 0.439 38.933 38.487 0.010 0.000 0.989 77 N HN 0.384 nan 8.380 nan 0.000 0.468 78 L N 1.935 123.164 121.223 0.010 0.000 2.276 78 L HA 0.149 4.476 4.340 -0.021 0.000 0.286 78 L C 1.099 177.971 176.870 0.004 0.000 1.061 78 L CA 0.199 55.041 54.840 0.004 0.000 0.807 78 L CB 1.102 43.160 42.059 -0.003 0.000 1.177 78 L HN 0.099 nan 8.230 nan 0.000 0.429 79 Q N 4.220 124.026 119.800 0.010 0.000 2.211 79 Q HA 0.467 4.795 4.340 -0.021 0.000 0.242 79 Q C 0.035 176.056 176.000 0.036 0.000 0.825 79 Q CA 0.076 55.891 55.803 0.020 0.000 0.951 79 Q CB 0.582 29.336 28.738 0.027 0.000 1.130 79 Q HN 0.615 nan 8.270 nan 0.000 0.496 80 A N 1.905 124.745 122.820 0.033 0.000 2.394 80 A HA 0.575 4.882 4.320 -0.021 0.000 0.333 80 A C -1.251 176.356 177.584 0.038 0.000 1.397 80 A CA -0.510 51.568 52.037 0.069 0.000 0.884 80 A CB 0.522 19.554 19.000 0.053 0.000 1.147 80 A HN 0.287 nan 8.150 nan 0.000 0.505 81 L N 3.762 124.989 121.223 0.008 0.000 2.319 81 L HA 0.690 5.018 4.340 -0.021 0.000 0.281 81 L C -0.911 175.925 176.870 -0.057 0.000 1.005 81 L CA -0.495 54.315 54.840 -0.050 0.000 0.828 81 L CB 1.815 43.789 42.059 -0.142 0.000 1.227 81 L HN 0.442 nan 8.230 nan 0.000 0.415 82 V N 7.611 127.515 119.914 -0.017 0.000 2.357 82 V HA 0.480 4.588 4.120 -0.021 0.000 0.281 82 V C -0.804 175.292 176.094 0.002 0.000 1.015 82 V CA -0.309 61.987 62.300 -0.007 0.000 0.827 82 V CB 1.302 33.159 31.823 0.057 0.000 1.018 82 V HN 0.733 nan 8.190 nan 0.000 0.432 83 L N 6.585 127.806 121.223 -0.003 0.000 2.709 83 L HA 0.407 4.734 4.340 -0.021 0.000 0.236 83 L C 0.275 177.176 176.870 0.053 0.000 1.266 83 L CA -0.154 54.696 54.840 0.018 0.000 0.987 83 L CB 0.941 42.999 42.059 -0.001 0.000 1.306 83 L HN 0.549 nan 8.230 nan 0.000 0.467 84 T N 0.202 114.796 114.554 0.068 0.000 2.749 84 T HA 0.193 4.530 4.350 -0.021 0.000 0.295 84 T C 0.592 175.354 174.700 0.104 0.000 0.936 84 T CA -0.286 61.877 62.100 0.105 0.000 1.060 84 T CB 0.899 69.823 68.868 0.094 0.000 0.904 84 T HN 0.626 nan 8.240 nan 0.000 0.500 85 S N 3.330 119.122 115.700 0.153 0.000 3.267 85 S HA -0.196 4.261 4.470 -0.021 0.000 0.389 85 S C 0.544 175.218 174.600 0.124 0.000 0.863 85 S CA 0.149 58.442 58.200 0.154 0.000 1.354 85 S CB -1.281 61.979 63.200 0.100 0.000 1.008 85 S HN 0.857 nan 8.310 nan 0.000 0.602 86 N N 1.624 120.408 118.700 0.140 0.000 2.419 86 N HA 0.289 5.017 4.740 -0.021 0.000 0.216 86 N C 1.349 176.928 175.510 0.114 0.000 1.118 86 N CA 0.662 53.775 53.050 0.105 0.000 0.850 86 N CB 0.511 39.046 38.487 0.080 0.000 1.292 86 N HN 1.618 nan 8.380 nan 0.000 0.467 87 G N 1.701 110.619 108.800 0.197 0.000 2.145 87 G HA2 -0.185 3.762 3.960 -0.021 0.000 0.176 87 G HA3 -0.185 3.762 3.960 -0.021 0.000 0.176 87 G C -0.155 174.799 174.900 0.089 0.000 1.013 87 G CA -0.409 44.779 45.100 0.146 0.000 0.689 87 G HN 0.208 nan 8.290 nan 0.000 0.506 88 I N 0.921 121.583 120.570 0.154 0.000 2.664 88 I HA 0.049 4.206 4.170 -0.021 0.000 0.284 88 I C 1.413 177.608 176.117 0.131 0.000 1.154 88 I CA -0.101 61.260 61.300 0.102 0.000 1.402 88 I CB 0.417 38.452 38.000 0.057 0.000 1.395 88 I HN 0.123 nan 8.210 nan 0.000 0.545 89 N N 3.189 121.951 118.700 0.104 0.000 2.258 89 N HA -0.005 4.722 4.740 -0.021 0.000 0.183 89 N C 0.207 175.780 175.510 0.106 0.000 1.029 89 N CA 0.875 53.998 53.050 0.122 0.000 0.857 89 N CB 0.256 38.804 38.487 0.102 0.000 1.008 89 N HN 0.738 nan 8.380 nan 0.000 0.433 90 T N -1.500 113.104 114.554 0.084 0.000 2.893 90 T HA 0.671 5.008 4.350 -0.021 0.000 0.293 90 T C -0.630 173.985 174.700 -0.142 0.000 1.027 90 T CA -0.712 61.405 62.100 0.030 0.000 0.988 90 T CB 1.621 70.545 68.868 0.094 0.000 1.043 90 T HN -0.072 nan 8.240 nan 0.000 0.461 91 I N 2.120 122.644 120.570 -0.076 0.000 2.410 91 I HA 0.282 4.440 4.170 -0.021 0.000 0.286 91 I C 0.339 176.490 176.117 0.056 0.000 1.009 91 I CA -0.813 60.416 61.300 -0.119 0.000 1.111 91 I CB 1.767 39.599 38.000 -0.281 0.000 1.262 91 I HN 0.691 nan 8.210 nan 0.000 0.443 92 E N 6.139 126.246 120.200 -0.154 0.000 2.415 92 E HA 0.054 4.391 4.350 -0.021 0.000 0.263 92 E C -0.199 176.416 176.600 0.024 0.000 0.995 92 E CA 0.004 56.357 56.400 -0.078 0.000 0.915 92 E CB 0.795 30.429 29.700 -0.110 0.000 0.951 92 E HN 0.511 nan 8.360 nan 0.000 0.449 93 E N 2.093 122.231 120.200 -0.103 0.000 2.435 93 E HA -0.090 4.248 4.350 -0.021 0.000 0.256 93 E C -0.119 176.384 176.600 -0.162 0.000 1.245 93 E CA -0.145 56.081 56.400 -0.290 0.000 0.989 93 E CB 0.312 29.739 29.700 -0.455 0.000 0.983 93 E HN 0.456 nan 8.360 nan 0.000 0.480 94 D N -0.448 119.833 120.400 -0.198 0.000 3.012 94 D HA -0.154 4.473 4.640 -0.021 0.000 0.222 94 D C 0.147 176.461 176.300 0.022 0.000 1.167 94 D CA 1.045 54.997 54.000 -0.079 0.000 0.854 94 D CB -1.603 39.157 40.800 -0.067 0.000 1.107 94 D HN 0.234 nan 8.370 nan 0.000 0.421 95 S N -1.424 114.319 115.700 0.072 0.000 2.524 95 S HA 0.208 4.665 4.470 -0.021 0.000 0.215 95 S C 1.256 176.146 174.600 0.483 0.000 0.986 95 S CA -0.405 57.925 58.200 0.217 0.000 0.911 95 S CB 0.118 63.447 63.200 0.215 0.000 0.805 95 S HN 0.398 nan 8.310 nan 0.000 0.501 96 F N 1.667 121.678 119.950 0.101 0.000 2.727 96 F HA 0.091 4.605 4.527 -0.021 0.000 0.302 96 F C 2.262 178.102 175.800 0.066 0.000 1.097 96 F CA -0.241 57.811 58.000 0.087 0.000 1.330 96 F CB 0.243 39.317 39.000 0.124 0.000 1.084 96 F HN 0.266 nan 8.300 nan 0.000 0.578 97 S N -0.788 115.049 115.700 0.228 0.000 2.478 97 S HA -0.119 4.338 4.470 -0.021 0.000 0.222 97 S C 1.883 176.543 174.600 0.100 0.000 1.008 97 S CA 0.642 58.920 58.200 0.130 0.000 0.928 97 S CB -0.495 62.752 63.200 0.078 0.000 0.781 97 S HN 0.281 nan 8.310 nan 0.000 0.518 98 S N 1.552 117.318 115.700 0.110 0.000 2.515 98 S HA 0.211 4.668 4.470 -0.021 0.000 0.231 98 S C 1.481 176.120 174.600 0.064 0.000 0.987 98 S CA 0.346 58.593 58.200 0.078 0.000 0.936 98 S CB -0.615 62.635 63.200 0.082 0.000 0.766 98 S HN 0.549 nan 8.310 nan 0.000 0.528 99 L N 0.127 121.394 121.223 0.073 0.000 2.609 99 L HA 0.342 4.670 4.340 -0.021 0.000 0.230 99 L C 2.175 179.072 176.870 0.044 0.000 1.087 99 L CA 0.235 55.097 54.840 0.037 0.000 0.874 99 L CB -0.940 41.114 42.059 -0.008 0.000 1.114 99 L HN 0.508 nan 8.230 nan 0.000 0.488 100 G N 0.831 109.672 108.800 0.067 0.000 2.774 100 G HA2 -0.385 3.562 3.960 -0.021 0.000 0.342 100 G HA3 -0.385 3.562 3.960 -0.021 0.000 0.342 100 G C 0.466 175.405 174.900 0.064 0.000 1.185 100 G CA 0.608 45.746 45.100 0.064 0.000 0.956 100 G HN 0.327 nan 8.290 nan 0.000 0.561 101 S N 1.022 116.751 115.700 0.049 0.000 2.701 101 S HA 0.487 4.944 4.470 -0.021 0.000 0.317 101 S C -0.155 174.470 174.600 0.041 0.000 1.149 101 S CA -0.153 58.076 58.200 0.049 0.000 1.052 101 S CB 0.771 63.995 63.200 0.039 0.000 1.257 101 S HN 0.714 nan 8.310 nan 0.000 0.532 102 L N 3.566 124.817 121.223 0.046 0.000 2.307 102 L HA 0.484 4.811 4.340 -0.021 0.000 0.284 102 L C 0.513 177.416 176.870 0.055 0.000 1.023 102 L CA 0.157 55.013 54.840 0.026 0.000 0.810 102 L CB 1.008 43.052 42.059 -0.025 0.000 1.231 102 L HN 0.495 nan 8.230 nan 0.000 0.423 103 E N 1.773 122.013 120.200 0.067 0.000 2.225 103 E HA 0.021 4.358 4.350 -0.021 0.000 0.202 103 E C -0.304 176.395 176.600 0.165 0.000 0.987 103 E CA -0.067 56.396 56.400 0.106 0.000 1.010 103 E CB -0.020 29.738 29.700 0.097 0.000 1.464 103 E HN 0.619 nan 8.360 nan 0.000 0.508 104 H N 1.747 120.854 119.070 0.062 0.000 3.356 104 H HA 0.130 4.674 4.556 -0.021 0.000 0.260 104 H C -0.990 174.401 175.328 0.105 0.000 1.570 104 H CA -0.332 55.773 56.048 0.095 0.000 1.547 104 H CB -0.562 29.185 29.762 -0.024 0.000 1.774 104 H HN -0.085 nan 8.280 nan 0.000 0.542 105 L N 4.736 125.956 121.223 -0.006 0.000 2.261 105 L HA 0.294 4.622 4.340 -0.021 0.000 0.289 105 L C -0.753 176.061 176.870 -0.093 0.000 1.059 105 L CA -0.142 54.647 54.840 -0.085 0.000 0.816 105 L CB 0.801 42.838 42.059 -0.036 0.000 1.191 105 L HN 0.565 nan 8.230 nan 0.000 0.431 106 D N 5.380 125.692 120.400 -0.148 0.000 2.391 106 D HA 0.308 4.935 4.640 -0.021 0.000 0.245 106 D C -0.540 175.745 176.300 -0.027 0.000 1.069 106 D CA -0.272 53.689 54.000 -0.064 0.000 0.831 106 D CB 1.474 42.216 40.800 -0.097 0.000 1.204 106 D HN 0.690 nan 8.370 nan 0.000 0.503 107 L N 2.655 123.883 121.223 0.007 0.000 3.291 107 L HA 0.167 4.494 4.340 -0.021 0.000 0.307 107 L C 0.273 177.166 176.870 0.039 0.000 1.303 107 L CA -0.305 54.544 54.840 0.014 0.000 0.949 107 L CB 0.876 42.936 42.059 0.002 0.000 1.375 107 L HN 0.151 nan 8.230 nan 0.000 0.596 108 S N -0.469 115.279 115.700 0.079 0.000 2.562 108 S HA 0.159 4.616 4.470 -0.021 0.000 0.281 108 S C -0.097 174.630 174.600 0.211 0.000 1.333 108 S CA -0.102 58.174 58.200 0.126 0.000 1.052 108 S CB 0.017 63.389 63.200 0.287 0.000 0.884 108 S HN 0.336 nan 8.310 nan 0.000 0.506 109 Y N 0.842 121.145 120.300 0.004 0.000 2.976 109 Y HA -0.263 4.274 4.550 -0.021 0.000 0.204 109 Y C 0.651 176.556 175.900 0.007 0.000 1.257 109 Y CA 0.197 58.286 58.100 -0.018 0.000 0.856 109 Y CB -1.940 36.516 38.460 -0.006 0.000 1.222 109 Y HN 0.562 nan 8.280 nan 0.000 0.442 110 N N -1.011 117.735 118.700 0.078 0.000 3.061 110 N HA 0.397 5.124 4.740 -0.021 0.000 0.346 110 N C -0.116 175.442 175.510 0.079 0.000 1.392 110 N CA -0.679 52.468 53.050 0.163 0.000 0.762 110 N CB 0.331 38.899 38.487 0.135 0.000 1.367 110 N HN 0.146 nan 8.380 nan 0.000 0.607 111 Y N 0.397 120.728 120.300 0.053 0.000 2.734 111 Y HA 0.398 4.936 4.550 -0.021 0.000 0.278 111 Y C 0.262 176.201 175.900 0.065 0.000 1.108 111 Y CA -0.155 57.980 58.100 0.058 0.000 1.211 111 Y CB 0.199 38.693 38.460 0.057 0.000 1.182 111 Y HN 0.197 nan 8.280 nan 0.000 0.547 112 L N 1.795 123.111 121.223 0.155 0.000 2.415 112 L HA 0.056 4.384 4.340 -0.021 0.000 0.269 112 L C 1.180 178.160 176.870 0.184 0.000 1.244 112 L CA 0.069 54.978 54.840 0.114 0.000 1.113 112 L CB 0.116 42.176 42.059 0.002 0.000 1.352 112 L HN 0.306 nan 8.230 nan 0.000 0.433 113 S N 1.251 117.062 115.700 0.185 0.000 2.607 113 S HA -0.006 4.452 4.470 -0.021 0.000 0.224 113 S C 0.577 175.301 174.600 0.206 0.000 0.969 113 S CA -0.155 58.171 58.200 0.209 0.000 0.927 113 S CB -0.263 63.032 63.200 0.159 0.000 0.772 113 S HN 0.701 nan 8.310 nan 0.000 0.533 114 N N 0.576 119.376 118.700 0.167 0.000 2.621 114 N HA 0.382 5.110 4.740 -0.021 0.000 0.271 114 N C -0.874 174.734 175.510 0.164 0.000 1.181 114 N CA -0.416 52.715 53.050 0.133 0.000 0.805 114 N CB 0.763 39.314 38.487 0.107 0.000 1.351 114 N HN 0.175 nan 8.380 nan 0.000 0.539 115 L N 0.579 121.860 121.223 0.097 0.000 2.479 115 L HA 0.608 4.935 4.340 -0.021 0.000 0.248 115 L C 0.480 177.430 176.870 0.134 0.000 1.205 115 L CA -0.566 54.411 54.840 0.227 0.000 0.817 115 L CB 0.930 42.991 42.059 0.003 0.000 1.162 115 L HN 0.468 nan 8.230 nan 0.000 0.486 116 S N -1.615 114.127 115.700 0.070 0.000 2.543 116 S HA 0.172 4.629 4.470 -0.021 0.000 0.273 116 S C 0.355 174.708 174.600 -0.413 0.000 1.152 116 S CA -0.292 57.695 58.200 -0.355 0.000 0.910 116 S CB 1.554 64.281 63.200 -0.788 0.000 1.105 116 S HN 0.665 nan 8.310 nan 0.000 0.465 117 S N 2.713 118.261 115.700 -0.252 0.000 2.584 117 S HA -0.092 4.365 4.470 -0.021 0.000 0.240 117 S C 1.797 176.248 174.600 -0.249 0.000 0.975 117 S CA 1.155 59.286 58.200 -0.116 0.000 0.949 117 S CB -0.685 62.461 63.200 -0.091 0.000 0.761 117 S HN 0.965 nan 8.310 nan 0.000 0.536 118 S N 0.943 116.333 115.700 -0.517 0.000 2.368 118 S HA -0.052 4.405 4.470 -0.021 0.000 0.224 118 S C 1.552 175.821 174.600 -0.550 0.000 1.029 118 S CA 0.543 58.408 58.200 -0.559 0.000 0.988 118 S CB -0.940 61.771 63.200 -0.816 0.000 0.838 118 S HN 0.747 nan 8.310 nan 0.000 0.462 119 W N 1.022 121.909 121.300 -0.689 0.000 2.467 119 W HA 0.217 4.865 4.660 -0.021 0.000 0.275 119 W C 0.389 176.682 176.519 -0.376 0.000 1.239 119 W CA -0.058 56.774 57.345 -0.855 0.000 1.266 119 W CB -0.799 27.859 29.460 -1.336 0.000 1.112 119 W HN 0.281 nan 8.180 nan 0.000 0.576 120 F N 0.860 120.941 119.950 0.219 0.000 2.898 120 F HA 0.218 4.733 4.527 -0.021 0.000 0.290 120 F C 1.621 177.538 175.800 0.195 0.000 1.195 120 F CA -0.147 57.985 58.000 0.220 0.000 1.387 120 F CB -0.891 38.200 39.000 0.151 0.000 0.976 120 F HN -0.136 nan 8.300 nan 0.000 0.510 121 K N 0.662 121.234 120.400 0.286 0.000 2.362 121 K HA 0.195 4.502 4.320 -0.021 0.000 0.203 121 K C -1.062 175.654 176.600 0.192 0.000 1.198 121 K CA 0.243 56.726 56.287 0.327 0.000 0.908 121 K CB -0.254 32.350 32.500 0.173 0.000 1.236 121 K HN 0.023 nan 8.250 nan 0.000 0.487 122 P HA -0.018 nan 4.420 nan 0.000 0.220 122 P C -0.229 177.177 177.300 0.177 0.000 1.152 122 P CA 0.614 63.801 63.100 0.145 0.000 0.812 122 P CB 0.102 31.905 31.700 0.173 0.000 0.792 123 L N 0.498 121.871 121.223 0.250 0.000 2.615 123 L HA -0.026 4.302 4.340 -0.021 0.000 0.271 123 L C 1.601 178.578 176.870 0.178 0.000 1.183 123 L CA 0.193 55.168 54.840 0.226 0.000 0.933 123 L CB 0.053 42.290 42.059 0.296 0.000 1.199 123 L HN 0.112 nan 8.230 nan 0.000 0.487 124 S N 0.071 115.848 115.700 0.129 0.000 2.510 124 S HA 0.014 4.472 4.470 -0.021 0.000 0.230 124 S C 0.850 175.505 174.600 0.092 0.000 1.066 124 S CA 0.275 58.536 58.200 0.103 0.000 0.941 124 S CB 0.301 63.545 63.200 0.074 0.000 0.829 124 S HN 0.609 nan 8.310 nan 0.000 0.530 125 S N 1.694 117.444 115.700 0.083 0.000 2.217 125 S HA 0.656 5.113 4.470 -0.021 0.000 0.168 125 S C -0.778 173.870 174.600 0.080 0.000 1.526 125 S CA -0.733 57.510 58.200 0.072 0.000 1.150 125 S CB 0.240 63.473 63.200 0.055 0.000 1.158 125 S HN 0.344 nan 8.310 nan 0.000 0.473 126 L N 1.900 123.178 121.223 0.093 0.000 2.360 126 L HA 0.704 5.031 4.340 -0.021 0.000 0.271 126 L C 0.703 177.628 176.870 0.092 0.000 1.057 126 L CA 0.382 55.282 54.840 0.100 0.000 0.803 126 L CB 1.824 43.953 42.059 0.116 0.000 1.207 126 L HN 0.593 nan 8.230 nan 0.000 0.445 127 T N 2.152 116.776 114.554 0.117 0.000 3.098 127 T HA 0.229 4.566 4.350 -0.021 0.000 0.256 127 T C -0.799 174.013 174.700 0.186 0.000 0.921 127 T CA 0.207 62.384 62.100 0.129 0.000 0.916 127 T CB 0.207 69.155 68.868 0.134 0.000 1.246 127 T HN 0.273 nan 8.240 nan 0.000 0.511 128 F N 2.694 122.670 119.950 0.044 0.000 2.553 128 F HA 0.702 5.217 4.527 -0.021 0.000 0.335 128 F C -1.811 173.965 175.800 -0.039 0.000 1.148 128 F CA -1.515 56.504 58.000 0.031 0.000 0.963 128 F CB 1.338 40.441 39.000 0.171 0.000 1.217 128 F HN -0.078 nan 8.300 nan 0.000 0.441 129 L N 7.196 128.149 121.223 -0.451 0.000 2.345 129 L HA 0.534 4.862 4.340 -0.021 0.000 0.274 129 L C -1.594 174.960 176.870 -0.527 0.000 0.999 129 L CA -0.288 54.347 54.840 -0.342 0.000 0.849 129 L CB 0.969 42.884 42.059 -0.240 0.000 1.220 129 L HN 0.620 nan 8.230 nan 0.000 0.422 130 N N 5.585 124.047 118.700 -0.397 0.000 2.443 130 N HA 0.394 5.122 4.740 -0.021 0.000 0.269 130 N C -0.990 174.452 175.510 -0.113 0.000 0.985 130 N CA -0.499 52.368 53.050 -0.306 0.000 0.921 130 N CB 1.207 39.582 38.487 -0.187 0.000 1.195 130 N HN 0.533 nan 8.380 nan 0.000 0.492 131 L N 4.333 125.498 121.223 -0.097 0.000 3.209 131 L HA 0.382 4.709 4.340 -0.021 0.000 0.279 131 L C -0.055 176.804 176.870 -0.019 0.000 1.301 131 L CA -0.114 54.730 54.840 0.007 0.000 1.004 131 L CB -0.871 41.233 42.059 0.076 0.000 1.402 131 L HN 0.455 nan 8.230 nan 0.000 0.577 132 L N 0.315 121.422 121.223 -0.193 0.000 2.349 132 L HA 0.570 4.898 4.340 -0.021 0.000 0.275 132 L C 1.294 177.714 176.870 -0.749 0.000 1.115 132 L CA 0.143 54.742 54.840 -0.401 0.000 0.820 132 L CB 1.051 42.882 42.059 -0.381 0.000 1.135 132 L HN 0.536 nan 8.230 nan 0.000 0.445 133 G N 1.975 110.323 108.800 -0.752 0.000 2.131 133 G HA2 -0.235 3.713 3.960 -0.021 0.000 0.223 133 G HA3 -0.235 3.713 3.960 -0.021 0.000 0.223 133 G C -0.204 174.448 174.900 -0.413 0.000 0.990 133 G CA -0.436 44.188 45.100 -0.794 0.000 0.671 133 G HN 0.653 nan 8.290 nan 0.000 0.521 134 N N 0.313 118.803 118.700 -0.350 0.000 2.405 134 N HA 0.567 5.294 4.740 -0.021 0.000 0.299 134 N C -1.627 173.707 175.510 -0.294 0.000 1.075 134 N CA -1.822 51.106 53.050 -0.203 0.000 0.884 134 N CB 1.817 40.377 38.487 0.121 0.000 1.194 134 N HN -0.145 nan 8.380 nan 0.000 0.491 135 P HA -0.153 nan 4.420 nan 0.000 0.227 135 P C -0.620 176.666 177.300 -0.023 0.000 1.145 135 P CA 0.922 63.959 63.100 -0.105 0.000 0.769 135 P CB -0.305 31.378 31.700 -0.029 0.000 0.769 136 Y N -0.075 120.241 120.300 0.025 0.000 2.578 136 Y HA 0.056 4.594 4.550 -0.021 0.000 0.339 136 Y C 1.259 177.249 175.900 0.150 0.000 1.231 136 Y CA -0.631 57.516 58.100 0.079 0.000 1.461 136 Y CB 0.081 38.588 38.460 0.078 0.000 1.323 136 Y HN -0.055 nan 8.280 nan 0.000 0.590 137 K N 0.938 121.527 120.400 0.316 0.000 2.438 137 K HA 0.434 4.741 4.320 -0.021 0.000 0.205 137 K C -0.779 176.002 176.600 0.302 0.000 1.033 137 K CA -0.171 56.267 56.287 0.252 0.000 1.089 137 K CB 0.410 32.967 32.500 0.095 0.000 0.857 137 K HN 0.736 nan 8.250 nan 0.000 0.522 138 T N 0.129 114.986 114.554 0.505 0.000 2.718 138 T HA 0.299 4.636 4.350 -0.021 0.000 0.306 138 T C -0.121 174.803 174.700 0.373 0.000 1.485 138 T CA -0.816 61.507 62.100 0.372 0.000 0.997 138 T CB 1.338 70.285 68.868 0.133 0.000 1.504 138 T HN 0.032 nan 8.240 nan 0.000 0.497 139 L N 0.925 122.271 121.223 0.206 0.000 2.808 139 L HA 0.500 4.827 4.340 -0.021 0.000 0.246 139 L C 1.090 177.905 176.870 -0.092 0.000 1.153 139 L CA -0.049 54.778 54.840 -0.021 0.000 0.956 139 L CB -0.099 41.911 42.059 -0.082 0.000 1.270 139 L HN 1.112 nan 8.230 nan 0.000 0.528 140 G N 1.034 109.816 108.800 -0.031 0.000 2.728 140 G HA2 -0.223 3.724 3.960 -0.021 0.000 0.686 140 G HA3 -0.223 3.724 3.960 -0.021 0.000 0.686 140 G C -0.018 174.839 174.900 -0.072 0.000 1.337 140 G CA -0.589 44.478 45.100 -0.055 0.000 0.861 140 G HN 0.406 nan 8.290 nan 0.000 0.597 141 E N 0.168 120.332 120.200 -0.060 0.000 2.301 141 E HA 0.170 4.507 4.350 -0.021 0.000 0.195 141 E C 0.457 177.013 176.600 -0.072 0.000 1.171 141 E CA 0.437 56.800 56.400 -0.061 0.000 1.142 141 E CB 0.130 29.801 29.700 -0.048 0.000 1.218 141 E HN 0.389 nan 8.360 nan 0.000 0.448 142 T N 0.929 115.427 114.554 -0.093 0.000 3.250 142 T HA 0.075 4.412 4.350 -0.021 0.000 0.391 142 T C 0.002 174.627 174.700 -0.125 0.000 1.502 142 T CA -0.484 61.556 62.100 -0.100 0.000 1.320 142 T CB 0.846 69.650 68.868 -0.107 0.000 1.102 142 T HN -0.064 nan 8.240 nan 0.000 0.610 143 S N 2.976 118.609 115.700 -0.112 0.000 3.758 143 S HA -0.137 4.320 4.470 -0.021 0.000 0.202 143 S C 0.632 175.130 174.600 -0.171 0.000 0.376 143 S CA -0.113 58.013 58.200 -0.123 0.000 1.497 143 S CB -0.860 62.289 63.200 -0.086 0.000 1.334 143 S HN 0.496 nan 8.310 nan 0.000 0.326 144 L N 2.880 123.935 121.223 -0.280 0.000 2.476 144 L HA 0.420 4.747 4.340 -0.021 0.000 0.264 144 L C 0.107 176.705 176.870 -0.454 0.000 1.224 144 L CA 0.247 54.792 54.840 -0.492 0.000 0.821 144 L CB -0.364 41.137 42.059 -0.930 0.000 1.101 144 L HN 0.590 nan 8.230 nan 0.000 0.488 145 F N 1.488 121.350 119.950 -0.148 0.000 2.259 145 F HA -0.226 4.288 4.527 -0.021 0.000 0.309 145 F C 0.854 176.582 175.800 -0.121 0.000 1.079 145 F CA 0.889 58.746 58.000 -0.238 0.000 1.099 145 F CB -2.112 36.703 39.000 -0.308 0.000 1.521 145 F HN 0.492 nan 8.300 nan 0.000 0.783 146 S N -0.223 115.492 115.700 0.025 0.000 3.627 146 S HA 0.083 4.541 4.470 -0.021 0.000 0.190 146 S C 1.297 175.836 174.600 -0.102 0.000 0.880 146 S CA 0.032 58.148 58.200 -0.140 0.000 0.894 146 S CB 0.085 63.023 63.200 -0.435 0.000 1.095 146 S HN 0.705 nan 8.310 nan 0.000 0.655 147 H N 2.687 121.832 119.070 0.124 0.000 2.568 147 H HA 0.057 4.600 4.556 -0.021 0.000 0.281 147 H C 0.601 176.005 175.328 0.127 0.000 1.028 147 H CA 0.530 56.644 56.048 0.110 0.000 1.199 147 H CB -0.616 29.205 29.762 0.098 0.000 1.352 147 H HN 0.221 nan 8.280 nan 0.000 0.605 148 L N -0.183 121.168 121.223 0.213 0.000 2.968 148 L HA 0.240 4.567 4.340 -0.021 0.000 0.235 148 L C 0.565 177.508 176.870 0.122 0.000 1.323 148 L CA -0.271 54.679 54.840 0.183 0.000 1.159 148 L CB -1.188 40.992 42.059 0.203 0.000 1.523 148 L HN -0.246 nan 8.230 nan 0.000 0.468 149 T N -0.128 114.498 114.554 0.121 0.000 4.210 149 T HA 0.132 4.470 4.350 -0.021 0.000 0.229 149 T C 0.993 175.745 174.700 0.087 0.000 0.813 149 T CA 0.512 62.670 62.100 0.098 0.000 0.888 149 T CB -0.484 68.445 68.868 0.102 0.000 1.327 149 T HN 0.546 nan 8.240 nan 0.000 0.739 150 K N 0.416 120.862 120.400 0.078 0.000 2.618 150 K HA 0.189 4.496 4.320 -0.021 0.000 0.205 150 K C 0.435 177.069 176.600 0.057 0.000 1.445 150 K CA -0.141 56.185 56.287 0.066 0.000 1.034 150 K CB 0.609 33.150 32.500 0.067 0.000 1.209 150 K HN 0.446 nan 8.250 nan 0.000 0.627 151 L N -0.434 120.816 121.223 0.045 0.000 2.452 151 L HA 0.243 4.571 4.340 -0.021 0.000 0.267 151 L C 0.361 177.239 176.870 0.014 0.000 1.188 151 L CA -0.133 54.718 54.840 0.018 0.000 0.821 151 L CB 0.791 42.826 42.059 -0.040 0.000 1.102 151 L HN 0.085 nan 8.230 nan 0.000 0.470 152 Q N 2.825 122.632 119.800 0.013 0.000 2.210 152 Q HA 0.466 4.793 4.340 -0.021 0.000 0.252 152 Q C -0.459 175.532 176.000 -0.016 0.000 0.811 152 Q CA 0.034 55.847 55.803 0.017 0.000 0.953 152 Q CB 1.589 30.353 28.738 0.044 0.000 1.136 152 Q HN 0.692 nan 8.270 nan 0.000 0.491 153 I N 1.575 122.120 120.570 -0.042 0.000 2.466 153 I HA 0.372 4.529 4.170 -0.021 0.000 0.289 153 I C -1.484 174.452 176.117 -0.301 0.000 1.026 153 I CA -1.050 60.181 61.300 -0.115 0.000 1.078 153 I CB 2.274 40.294 38.000 0.034 0.000 1.249 153 I HN -0.068 nan 8.210 nan 0.000 0.429 154 L N 7.141 128.159 121.223 -0.341 0.000 2.491 154 L HA 0.479 4.807 4.340 -0.021 0.000 0.267 154 L C -1.034 175.605 176.870 -0.386 0.000 0.971 154 L CA -0.238 54.341 54.840 -0.435 0.000 0.857 154 L CB 1.244 43.032 42.059 -0.450 0.000 1.226 154 L HN 0.484 nan 8.230 nan 0.000 0.408 155 R N 4.515 124.764 120.500 -0.417 0.000 2.278 155 R HA 0.611 4.938 4.340 -0.021 0.000 0.322 155 R C -1.097 175.047 176.300 -0.260 0.000 1.058 155 R CA -0.594 55.321 56.100 -0.309 0.000 0.991 155 R CB 1.805 31.938 30.300 -0.278 0.000 1.140 155 R HN 0.421 nan 8.270 nan 0.000 0.518 156 V N 2.466 122.248 119.914 -0.221 0.000 2.495 156 V HA 0.902 5.009 4.120 -0.021 0.000 0.298 156 V C -0.088 175.820 176.094 -0.310 0.000 1.031 156 V CA 0.195 62.391 62.300 -0.173 0.000 0.871 156 V CB 1.445 33.218 31.823 -0.083 0.000 0.988 156 V HN 0.947 nan 8.190 nan 0.000 0.432 157 G N 5.042 113.619 108.800 -0.371 0.000 2.347 157 G HA2 0.177 4.125 3.960 -0.021 0.000 0.477 157 G HA3 0.177 4.125 3.960 -0.021 0.000 0.477 157 G C -1.515 173.095 174.900 -0.482 0.000 1.349 157 G CA -0.301 44.426 45.100 -0.622 0.000 1.000 157 G HN 1.588 nan 8.290 nan 0.000 0.605 158 N N -1.455 117.025 118.700 -0.367 0.000 2.367 158 N HA 0.452 5.179 4.740 -0.021 0.000 0.278 158 N C 0.068 175.510 175.510 -0.113 0.000 1.117 158 N CA -0.841 52.034 53.050 -0.293 0.000 0.867 158 N CB 1.475 39.724 38.487 -0.396 0.000 1.649 158 N HN 1.014 nan 8.380 nan 0.000 0.479 159 M N -0.594 118.967 119.600 -0.064 0.000 3.435 159 M HA 0.430 4.897 4.480 -0.021 0.000 0.205 159 M C -0.994 175.312 176.300 0.010 0.000 1.324 159 M CA 0.488 55.799 55.300 0.018 0.000 1.455 159 M CB -0.656 31.986 32.600 0.069 0.000 1.240 159 M HN 0.519 nan 8.290 nan 0.000 0.477 160 D N -0.780 119.611 120.400 -0.015 0.000 2.690 160 D HA 0.102 4.729 4.640 -0.021 0.000 0.235 160 D C 1.086 177.384 176.300 -0.004 0.000 1.327 160 D CA 0.877 54.867 54.000 -0.015 0.000 1.264 160 D CB 0.828 41.598 40.800 -0.050 0.000 1.574 160 D HN 0.514 nan 8.370 nan 0.000 0.421 161 T N -2.017 112.530 114.554 -0.011 0.000 3.131 161 T HA 0.197 4.535 4.350 -0.021 0.000 0.283 161 T C 0.090 174.816 174.700 0.044 0.000 0.906 161 T CA -0.468 61.638 62.100 0.009 0.000 0.882 161 T CB -0.205 68.663 68.868 -0.000 0.000 1.208 161 T HN 0.009 nan 8.240 nan 0.000 0.561 162 F N 4.969 124.852 119.950 -0.111 0.000 2.546 162 F HA 0.362 4.876 4.527 -0.021 0.000 0.388 162 F C 1.182 176.985 175.800 0.005 0.000 1.051 162 F CA 0.302 58.264 58.000 -0.063 0.000 1.130 162 F CB 0.650 39.587 39.000 -0.105 0.000 1.044 162 F HN 0.240 nan 8.300 nan 0.000 0.553 163 T N 1.454 115.745 114.554 -0.439 0.000 3.111 163 T HA 0.351 4.688 4.350 -0.021 0.000 0.284 163 T C -0.051 174.414 174.700 -0.392 0.000 0.983 163 T CA -0.474 61.424 62.100 -0.338 0.000 0.900 163 T CB -0.193 68.593 68.868 -0.137 0.000 1.132 163 T HN 0.469 nan 8.240 nan 0.000 0.531 164 K N 1.033 121.046 120.400 -0.644 0.000 2.468 164 K HA 0.696 5.004 4.320 -0.021 0.000 0.252 164 K C -1.627 174.794 176.600 -0.298 0.000 0.932 164 K CA -0.670 55.407 56.287 -0.350 0.000 0.794 164 K CB 2.675 35.068 32.500 -0.178 0.000 1.241 164 K HN 0.169 nan 8.250 nan 0.000 0.428 165 I N 3.340 123.884 120.570 -0.042 0.000 2.503 165 I HA 0.188 4.345 4.170 -0.021 0.000 0.282 165 I C -0.895 175.257 176.117 0.059 0.000 1.059 165 I CA -0.731 60.661 61.300 0.153 0.000 1.081 165 I CB 1.865 40.113 38.000 0.413 0.000 1.210 165 I HN 0.492 nan 8.210 nan 0.000 0.450 166 Q N 3.947 123.760 119.800 0.021 0.000 2.333 166 Q HA 0.532 4.859 4.340 -0.021 0.000 0.266 166 Q C 0.709 176.699 176.000 -0.016 0.000 1.053 166 Q CA -0.839 54.936 55.803 -0.046 0.000 0.890 166 Q CB 1.319 30.026 28.738 -0.052 0.000 1.337 166 Q HN 0.332 nan 8.270 nan 0.000 0.474 167 R N 0.267 120.741 120.500 -0.044 0.000 2.193 167 R HA -0.072 4.255 4.340 -0.021 0.000 0.229 167 R C 0.489 176.786 176.300 -0.006 0.000 1.110 167 R CA 0.935 57.030 56.100 -0.009 0.000 0.988 167 R CB -0.078 30.203 30.300 -0.031 0.000 0.871 167 R HN 0.375 nan 8.270 nan 0.000 0.458 168 K N 1.088 121.466 120.400 -0.036 0.000 2.668 168 K HA 0.000 4.308 4.320 -0.021 0.000 0.204 168 K C -0.586 175.956 176.600 -0.096 0.000 1.016 168 K CA 0.480 56.733 56.287 -0.058 0.000 1.131 168 K CB 0.044 32.507 32.500 -0.062 0.000 0.891 168 K HN 0.148 nan 8.250 nan 0.000 0.499 169 D N -0.288 120.055 120.400 -0.096 0.000 2.661 169 D HA 0.183 4.810 4.640 -0.021 0.000 0.228 169 D C -0.123 176.100 176.300 -0.128 0.000 1.183 169 D CA -0.753 53.083 54.000 -0.273 0.000 0.844 169 D CB 0.993 41.511 40.800 -0.471 0.000 1.555 169 D HN -0.088 nan 8.370 nan 0.000 0.453 170 F N -0.052 120.005 119.950 0.178 0.000 3.039 170 F HA -0.229 4.286 4.527 -0.021 0.000 0.287 170 F C 1.073 176.894 175.800 0.036 0.000 0.956 170 F CA 0.483 58.537 58.000 0.090 0.000 0.971 170 F CB -2.100 36.922 39.000 0.037 0.000 0.943 170 F HN 0.508 nan 8.300 nan 0.000 0.766 171 A N -0.015 122.884 122.820 0.132 0.000 1.993 171 A HA 0.519 4.826 4.320 -0.021 0.000 0.207 171 A C 2.126 179.740 177.584 0.049 0.000 1.224 171 A CA 0.630 52.707 52.037 0.066 0.000 0.749 171 A CB -0.331 18.679 19.000 0.017 0.000 0.884 171 A HN 0.690 nan 8.150 nan 0.000 0.467 172 G N 0.775 109.607 108.800 0.054 0.000 3.474 172 G HA2 0.470 4.417 3.960 -0.021 0.000 0.269 172 G HA3 0.470 4.417 3.960 -0.021 0.000 0.269 172 G C -0.108 174.830 174.900 0.063 0.000 1.339 172 G CA 0.239 45.362 45.100 0.038 0.000 1.258 172 G HN 0.814 nan 8.290 nan 0.000 0.560 173 L N -3.950 117.311 121.223 0.063 0.000 2.676 173 L HA 0.562 4.889 4.340 -0.021 0.000 0.262 173 L C -0.074 176.798 176.870 0.002 0.000 0.932 173 L CA -0.978 53.890 54.840 0.047 0.000 0.932 173 L CB 1.312 43.392 42.059 0.036 0.000 1.355 173 L HN -0.131 nan 8.230 nan 0.000 0.421 174 T N 0.493 115.039 114.554 -0.013 0.000 2.975 174 T HA 0.435 4.772 4.350 -0.021 0.000 0.257 174 T C -0.373 174.057 174.700 -0.449 0.000 1.003 174 T CA 0.536 62.518 62.100 -0.197 0.000 0.932 174 T CB 0.005 68.774 68.868 -0.164 0.000 1.087 174 T HN 0.387 nan 8.240 nan 0.000 0.512 175 F N 2.253 122.191 119.950 -0.022 0.000 2.574 175 F HA 0.655 5.169 4.527 -0.021 0.000 0.313 175 F C -1.493 174.283 175.800 -0.039 0.000 1.130 175 F CA -1.593 56.389 58.000 -0.030 0.000 0.936 175 F CB 2.092 41.081 39.000 -0.019 0.000 1.219 175 F HN -0.154 nan 8.300 nan 0.000 0.445 176 L N 0.355 121.656 121.223 0.130 0.000 2.643 176 L HA 0.534 4.861 4.340 -0.021 0.000 0.256 176 L C 0.155 177.042 176.870 0.029 0.000 0.931 176 L CA -0.866 54.002 54.840 0.046 0.000 0.895 176 L CB 0.882 42.920 42.059 -0.035 0.000 1.430 176 L HN 0.389 nan 8.230 nan 0.000 0.419 177 E N 0.828 121.045 120.200 0.028 0.000 2.015 177 E HA -0.058 4.279 4.350 -0.021 0.000 0.191 177 E C -0.165 176.445 176.600 0.018 0.000 0.991 177 E CA 1.424 57.844 56.400 0.032 0.000 0.802 177 E CB 0.434 30.159 29.700 0.042 0.000 0.759 177 E HN 0.791 nan 8.360 nan 0.000 0.447 178 E N 0.284 120.476 120.200 -0.013 0.000 2.199 178 E HA 0.319 4.656 4.350 -0.021 0.000 0.265 178 E C -1.546 174.965 176.600 -0.149 0.000 0.882 178 E CA -0.495 55.867 56.400 -0.064 0.000 0.759 178 E CB 1.164 30.845 29.700 -0.033 0.000 1.148 178 E HN -0.114 nan 8.360 nan 0.000 0.412 179 L N 4.419 125.518 121.223 -0.206 0.000 2.377 179 L HA 0.403 4.730 4.340 -0.021 0.000 0.270 179 L C -1.234 175.479 176.870 -0.262 0.000 0.991 179 L CA -0.237 54.452 54.840 -0.252 0.000 0.851 179 L CB 1.587 43.474 42.059 -0.287 0.000 1.218 179 L HN 0.585 nan 8.230 nan 0.000 0.420 180 E N 5.530 125.583 120.200 -0.245 0.000 2.145 180 E HA 0.514 4.851 4.350 -0.021 0.000 0.270 180 E C -1.350 175.126 176.600 -0.206 0.000 0.906 180 E CA -0.524 55.749 56.400 -0.212 0.000 0.761 180 E CB 1.104 30.690 29.700 -0.190 0.000 1.116 180 E HN 0.691 nan 8.360 nan 0.000 0.408 181 I N 4.181 124.654 120.570 -0.162 0.000 2.420 181 I HA 0.134 4.291 4.170 -0.021 0.000 0.282 181 I C -0.339 175.693 176.117 -0.141 0.000 1.019 181 I CA -0.700 60.531 61.300 -0.115 0.000 1.130 181 I CB 1.411 39.413 38.000 0.003 0.000 1.262 181 I HN 0.469 nan 8.210 nan 0.000 0.454 182 D N 6.874 127.099 120.400 -0.290 0.000 2.470 182 D HA 0.204 4.832 4.640 -0.021 0.000 0.226 182 D C 0.384 176.704 176.300 0.035 0.000 1.196 182 D CA 0.051 53.851 54.000 -0.334 0.000 0.979 182 D CB 1.014 41.546 40.800 -0.446 0.000 1.059 182 D HN 0.638 nan 8.370 nan 0.000 0.515 183 A N 2.883 125.809 122.820 0.177 0.000 3.159 183 A HA 0.214 4.522 4.320 -0.021 0.000 0.301 183 A C 1.839 179.532 177.584 0.181 0.000 1.271 183 A CA -0.430 51.775 52.037 0.280 0.000 0.998 183 A CB 0.094 19.252 19.000 0.263 0.000 1.101 183 A HN 0.408 nan 8.150 nan 0.000 0.610 184 S N 0.625 116.425 115.700 0.166 0.000 2.380 184 S HA -0.164 4.293 4.470 -0.021 0.000 0.229 184 S C 0.980 175.639 174.600 0.098 0.000 1.050 184 S CA 1.845 60.126 58.200 0.136 0.000 1.100 184 S CB -0.172 63.100 63.200 0.120 0.000 0.984 184 S HN 0.700 nan 8.310 nan 0.000 0.434 185 D N 1.105 121.553 120.400 0.079 0.000 2.460 185 D HA 0.198 4.826 4.640 -0.021 0.000 0.229 185 D C -0.256 176.058 176.300 0.024 0.000 1.170 185 D CA -0.160 53.869 54.000 0.048 0.000 0.827 185 D CB -0.220 40.601 40.800 0.034 0.000 0.973 185 D HN 0.162 nan 8.370 nan 0.000 0.496 186 L N 1.601 122.845 121.223 0.035 0.000 2.700 186 L HA -0.123 4.205 4.340 -0.021 0.000 0.276 186 L C 1.330 178.201 176.870 0.001 0.000 1.200 186 L CA 0.763 55.602 54.840 -0.002 0.000 0.951 186 L CB 0.735 42.819 42.059 0.042 0.000 1.226 186 L HN -0.127 nan 8.230 nan 0.000 0.489 187 Q N 2.154 121.939 119.800 -0.026 0.000 2.373 187 Q HA 0.208 4.535 4.340 -0.021 0.000 0.210 187 Q C -0.249 175.755 176.000 0.007 0.000 0.913 187 Q CA 0.750 56.548 55.803 -0.009 0.000 0.911 187 Q CB 0.505 29.231 28.738 -0.020 0.000 1.040 187 Q HN 0.836 nan 8.270 nan 0.000 0.521 188 S N -1.078 114.626 115.700 0.006 0.000 2.536 188 S HA 0.472 4.930 4.470 -0.021 0.000 0.271 188 S C -1.666 172.994 174.600 0.101 0.000 1.134 188 S CA -0.873 57.352 58.200 0.042 0.000 0.897 188 S CB 1.111 64.314 63.200 0.004 0.000 1.094 188 S HN 0.196 nan 8.310 nan 0.000 0.473 189 Y N 1.599 121.896 120.300 -0.004 0.000 2.327 189 Y HA 0.498 5.036 4.550 -0.021 0.000 0.325 189 Y C -0.245 175.669 175.900 0.023 0.000 0.999 189 Y CA -0.657 57.454 58.100 0.018 0.000 1.195 189 Y CB 1.209 39.694 38.460 0.042 0.000 1.132 189 Y HN 0.962 nan 8.280 nan 0.000 0.455 190 E N 8.477 128.443 120.200 -0.390 0.000 2.376 190 E HA 0.158 4.495 4.350 -0.021 0.000 0.266 190 E C -2.255 173.947 176.600 -0.663 0.000 1.009 190 E CA -1.942 54.235 56.400 -0.373 0.000 0.902 190 E CB 0.637 30.201 29.700 -0.227 0.000 0.972 190 E HN 0.388 nan 8.360 nan 0.000 0.439 191 P HA -0.142 nan 4.420 nan 0.000 0.264 191 P C -0.821 176.336 177.300 -0.238 0.000 1.179 191 P CA 0.559 63.494 63.100 -0.274 0.000 0.763 191 P CB 0.388 32.032 31.700 -0.094 0.000 0.806 192 K N 0.177 120.511 120.400 -0.110 0.000 3.130 192 K HA -0.150 4.157 4.320 -0.021 0.000 0.282 192 K C 1.031 177.621 176.600 -0.017 0.000 1.145 192 K CA 0.732 57.009 56.287 -0.017 0.000 0.831 192 K CB -2.396 30.092 32.500 -0.019 0.000 1.226 192 K HN 0.394 nan 8.250 nan 0.000 0.478 193 S N 0.166 115.802 115.700 -0.105 0.000 2.547 193 S HA 0.018 4.475 4.470 -0.021 0.000 0.235 193 S C 1.372 176.119 174.600 0.245 0.000 0.980 193 S CA 0.614 58.840 58.200 0.043 0.000 0.941 193 S CB 0.117 63.295 63.200 -0.037 0.000 0.763 193 S HN 0.334 nan 8.310 nan 0.000 0.532 194 L N -0.374 120.978 121.223 0.215 0.000 3.039 194 L HA 0.302 4.630 4.340 -0.021 0.000 0.269 194 L C 1.738 178.612 176.870 0.007 0.000 1.169 194 L CA 0.121 55.015 54.840 0.089 0.000 0.986 194 L CB 0.096 42.186 42.059 0.052 0.000 1.377 194 L HN 0.064 nan 8.230 nan 0.000 0.575 195 K N 0.744 121.163 120.400 0.032 0.000 2.504 195 K HA -0.083 4.225 4.320 -0.021 0.000 0.195 195 K C 2.023 178.600 176.600 -0.040 0.000 1.036 195 K CA 1.070 57.346 56.287 -0.018 0.000 0.984 195 K CB 0.258 32.757 32.500 -0.003 0.000 0.788 195 K HN 0.352 nan 8.250 nan 0.000 0.488 196 S N 0.747 116.435 115.700 -0.019 0.000 2.335 196 S HA -0.090 4.367 4.470 -0.021 0.000 0.216 196 S C 1.052 175.601 174.600 -0.086 0.000 1.032 196 S CA 0.310 58.493 58.200 -0.028 0.000 1.000 196 S CB -0.587 62.628 63.200 0.025 0.000 0.928 196 S HN 0.207 nan 8.310 nan 0.000 0.434 197 I N 2.846 123.355 120.570 -0.102 0.000 2.826 197 I HA -0.050 4.107 4.170 -0.021 0.000 0.295 197 I C 1.843 177.808 176.117 -0.252 0.000 1.213 197 I CA 0.263 61.450 61.300 -0.189 0.000 1.436 197 I CB 0.359 38.243 38.000 -0.193 0.000 1.348 197 I HN 0.475 nan 8.210 nan 0.000 0.570 198 Q N 4.780 124.334 119.800 -0.410 0.000 2.123 198 Q HA -0.003 4.324 4.340 -0.021 0.000 0.196 198 Q C -0.195 175.593 176.000 -0.353 0.000 0.958 198 Q CA 1.053 56.607 55.803 -0.415 0.000 0.841 198 Q CB 0.424 28.811 28.738 -0.586 0.000 0.915 198 Q HN 0.697 nan 8.270 nan 0.000 0.455 199 N N -0.749 117.692 118.700 -0.433 0.000 2.295 199 N HA 0.389 5.116 4.740 -0.021 0.000 0.293 199 N C -1.968 173.488 175.510 -0.091 0.000 1.040 199 N CA -0.376 52.581 53.050 -0.155 0.000 0.840 199 N CB 2.626 41.167 38.487 0.089 0.000 1.468 199 N HN -0.137 nan 8.380 nan 0.000 0.478 200 V N 1.378 121.247 119.914 -0.076 0.000 2.488 200 V HA 0.266 4.373 4.120 -0.021 0.000 0.293 200 V C 0.592 176.664 176.094 -0.036 0.000 1.027 200 V CA -0.548 61.711 62.300 -0.069 0.000 0.862 200 V CB 1.548 33.294 31.823 -0.129 0.000 1.008 200 V HN 0.752 nan 8.190 nan 0.000 0.428 201 S N 1.712 117.414 115.700 0.004 0.000 2.387 201 S HA -0.041 4.416 4.470 -0.021 0.000 0.226 201 S C 0.574 175.203 174.600 0.049 0.000 1.026 201 S CA 1.055 59.264 58.200 0.016 0.000 0.972 201 S CB -0.135 63.082 63.200 0.028 0.000 0.814 201 S HN 0.846 nan 8.310 nan 0.000 0.477 202 H N -0.529 118.496 119.070 -0.076 0.000 3.018 202 H HA 0.487 5.030 4.556 -0.021 0.000 0.334 202 H C -1.784 173.481 175.328 -0.106 0.000 0.983 202 H CA -0.920 55.077 56.048 -0.085 0.000 1.363 202 H CB 0.844 30.572 29.762 -0.057 0.000 1.668 202 H HN 0.092 nan 8.280 nan 0.000 0.513 203 L N 7.433 128.658 121.223 0.004 0.000 2.298 203 L HA 0.464 4.792 4.340 -0.021 0.000 0.284 203 L C -1.420 175.348 176.870 -0.170 0.000 1.013 203 L CA -0.385 54.362 54.840 -0.155 0.000 0.824 203 L CB 0.759 42.722 42.059 -0.160 0.000 1.221 203 L HN 0.560 nan 8.230 nan 0.000 0.418 204 I N 6.263 126.689 120.570 -0.240 0.000 2.339 204 I HA 0.353 4.510 4.170 -0.021 0.000 0.290 204 I C -0.704 175.404 176.117 -0.015 0.000 0.994 204 I CA -0.432 60.786 61.300 -0.135 0.000 1.191 204 I CB 1.536 39.437 38.000 -0.165 0.000 1.343 204 I HN 0.478 nan 8.210 nan 0.000 0.458 205 L N 6.975 128.220 121.223 0.037 0.000 2.356 205 L HA 0.495 4.822 4.340 -0.021 0.000 0.277 205 L C -0.745 176.243 176.870 0.195 0.000 0.996 205 L CA -0.475 54.421 54.840 0.093 0.000 0.822 205 L CB 1.271 43.333 42.059 0.006 0.000 1.256 205 L HN 0.612 nan 8.230 nan 0.000 0.413 206 H N 6.519 125.592 119.070 0.005 0.000 2.488 206 H HA 0.520 5.063 4.556 -0.021 0.000 0.322 206 H C -0.630 174.728 175.328 0.050 0.000 1.078 206 H CA -0.734 55.331 56.048 0.029 0.000 1.260 206 H CB 2.008 31.788 29.762 0.030 0.000 1.425 206 H HN 0.430 nan 8.280 nan 0.000 0.471 207 M N 2.822 122.511 119.600 0.148 0.000 2.296 207 M HA 0.071 4.538 4.480 -0.021 0.000 0.268 207 M C 0.074 176.437 176.300 0.105 0.000 1.048 207 M CA -0.675 54.697 55.300 0.119 0.000 0.966 207 M CB 2.577 35.236 32.600 0.099 0.000 1.912 207 M HN 0.543 nan 8.290 nan 0.000 0.484 208 K N 1.385 121.845 120.400 0.100 0.000 2.007 208 K HA 0.021 4.329 4.320 -0.021 0.000 0.206 208 K C 0.332 177.002 176.600 0.117 0.000 1.047 208 K CA 1.233 57.579 56.287 0.097 0.000 0.937 208 K CB 0.121 32.671 32.500 0.083 0.000 0.718 208 K HN 0.649 nan 8.250 nan 0.000 0.438 209 Q N 0.724 120.587 119.800 0.104 0.000 2.221 209 Q HA 0.079 4.406 4.340 -0.021 0.000 0.242 209 Q C 0.722 176.805 176.000 0.139 0.000 0.940 209 Q CA -0.292 55.575 55.803 0.107 0.000 0.896 209 Q CB 0.785 29.538 28.738 0.025 0.000 1.226 209 Q HN 0.417 nan 8.270 nan 0.000 0.463 210 H N 0.555 119.703 119.070 0.129 0.000 2.520 210 H HA 0.198 4.742 4.556 -0.021 0.000 0.284 210 H C 0.949 176.387 175.328 0.183 0.000 1.037 210 H CA -0.058 56.092 56.048 0.170 0.000 1.168 210 H CB 0.048 29.969 29.762 0.266 0.000 1.497 210 H HN 0.609 nan 8.280 nan 0.000 0.547 211 I N 1.105 121.578 120.570 -0.162 0.000 2.091 211 I HA -0.280 3.877 4.170 -0.021 0.000 0.239 211 I C 1.594 177.736 176.117 0.041 0.000 1.061 211 I CA 1.544 62.782 61.300 -0.103 0.000 1.317 211 I CB -0.045 37.907 38.000 -0.080 0.000 1.031 211 I HN 0.194 nan 8.210 nan 0.000 0.401 212 L N 0.465 121.725 121.223 0.062 0.000 2.783 212 L HA 0.079 4.407 4.340 -0.021 0.000 0.236 212 L C 1.693 178.606 176.870 0.072 0.000 1.225 212 L CA -0.313 54.577 54.840 0.083 0.000 1.026 212 L CB 0.044 42.153 42.059 0.083 0.000 1.314 212 L HN 0.246 nan 8.230 nan 0.000 0.489 213 L N 0.294 121.601 121.223 0.140 0.000 2.044 213 L HA -0.079 4.248 4.340 -0.021 0.000 0.205 213 L C 2.162 179.153 176.870 0.201 0.000 1.075 213 L CA 1.747 56.682 54.840 0.158 0.000 0.747 213 L CB -0.197 41.995 42.059 0.221 0.000 0.903 213 L HN 0.236 nan 8.230 nan 0.000 0.435 214 L N -0.105 121.272 121.223 0.257 0.000 2.131 214 L HA -0.188 4.140 4.340 -0.021 0.000 0.210 214 L C 2.504 179.526 176.870 0.254 0.000 1.092 214 L CA 1.635 56.642 54.840 0.278 0.000 0.759 214 L CB -0.621 41.572 42.059 0.223 0.000 0.903 214 L HN 0.520 nan 8.230 nan 0.000 0.435 215 E N 0.018 120.328 120.200 0.184 0.000 2.371 215 E HA -0.112 4.226 4.350 -0.021 0.000 0.194 215 E C 2.046 178.732 176.600 0.143 0.000 1.012 215 E CA 0.657 57.174 56.400 0.194 0.000 0.860 215 E CB -0.039 29.802 29.700 0.234 0.000 0.811 215 E HN 0.526 nan 8.360 nan 0.000 0.502 216 I N 0.190 120.723 120.570 -0.061 0.000 2.716 216 I HA -0.072 4.085 4.170 -0.021 0.000 0.259 216 I C 1.924 178.008 176.117 -0.056 0.000 1.172 216 I CA 0.291 61.384 61.300 -0.345 0.000 1.478 216 I CB -0.075 37.633 38.000 -0.488 0.000 1.104 216 I HN 0.066 nan 8.210 nan 0.000 0.439 217 F N 2.002 121.919 119.950 -0.055 0.000 2.128 217 F HA -0.174 4.341 4.527 -0.020 0.000 0.295 217 F C 2.435 178.239 175.800 0.006 0.000 1.100 217 F CA 1.816 59.805 58.000 -0.018 0.000 1.260 217 F CB -0.450 38.590 39.000 0.066 0.000 1.009 217 F HN -0.073 nan 8.300 nan 0.000 0.476 218 V N -1.572 118.387 119.914 0.075 0.000 2.453 218 V HA -0.275 3.833 4.120 -0.021 0.000 0.252 218 V C 1.403 177.435 176.094 -0.103 0.000 1.068 218 V CA 2.343 64.630 62.300 -0.020 0.000 1.070 218 V CB -1.016 30.870 31.823 0.104 0.000 0.664 218 V HN 0.321 nan 8.190 nan 0.000 0.461 219 D N 0.315 120.680 120.400 -0.057 0.000 2.350 219 D HA 0.116 4.744 4.640 -0.021 0.000 0.213 219 D C 1.833 178.058 176.300 -0.125 0.000 1.031 219 D CA 1.355 55.328 54.000 -0.044 0.000 0.861 219 D CB 1.048 41.897 40.800 0.082 0.000 0.926 219 D HN 0.679 nan 8.370 nan 0.000 0.520 220 V N -3.007 116.769 119.914 -0.230 0.000 3.612 220 V HA 0.104 4.212 4.120 -0.021 0.000 0.268 220 V C 2.105 177.986 176.094 -0.355 0.000 1.365 220 V CA 0.542 62.687 62.300 -0.259 0.000 1.044 220 V CB 0.292 31.972 31.823 -0.238 0.000 0.820 220 V HN -0.065 nan 8.190 nan 0.000 0.444 221 T N 1.304 115.521 114.554 -0.561 0.000 2.737 221 T HA -0.193 4.145 4.350 -0.021 0.000 0.269 221 T C 1.735 176.247 174.700 -0.313 0.000 1.040 221 T CA 2.731 64.458 62.100 -0.621 0.000 1.142 221 T CB -0.384 67.931 68.868 -0.921 0.000 0.861 221 T HN 0.618 nan 8.240 nan 0.000 0.456 222 S N -0.133 115.426 115.700 -0.235 0.000 2.575 222 S HA 0.194 4.651 4.470 -0.021 0.000 0.215 222 S C 1.835 176.356 174.600 -0.133 0.000 0.966 222 S CA 0.497 58.608 58.200 -0.147 0.000 0.911 222 S CB 0.120 63.254 63.200 -0.111 0.000 0.780 222 S HN 0.513 nan 8.310 nan 0.000 0.514 223 S N 0.511 116.114 115.700 -0.162 0.000 2.520 223 S HA 0.266 4.723 4.470 -0.021 0.000 0.219 223 S C 0.398 174.914 174.600 -0.141 0.000 1.028 223 S CA -0.189 57.921 58.200 -0.149 0.000 0.921 223 S CB 0.234 63.334 63.200 -0.165 0.000 0.844 223 S HN 0.133 nan 8.310 nan 0.000 0.495 224 V N 1.894 121.712 119.914 -0.160 0.000 2.732 224 V HA 0.492 4.599 4.120 -0.021 0.000 0.310 224 V C 0.954 176.975 176.094 -0.122 0.000 1.053 224 V CA -0.522 61.691 62.300 -0.144 0.000 0.957 224 V CB 1.775 33.487 31.823 -0.184 0.000 1.018 224 V HN 0.407 nan 8.190 nan 0.000 0.452 225 E N 0.853 120.997 120.200 -0.093 0.000 2.152 225 E HA 0.086 4.423 4.350 -0.021 0.000 0.195 225 E C -0.078 176.461 176.600 -0.101 0.000 0.934 225 E CA 0.410 56.761 56.400 -0.081 0.000 0.869 225 E CB 0.778 30.445 29.700 -0.055 0.000 0.842 225 E HN 0.727 nan 8.360 nan 0.000 0.472 226 C N 2.553 121.793 119.300 -0.100 0.000 2.301 226 C HA 0.492 4.939 4.460 -0.021 0.000 0.313 226 C C -0.079 174.862 174.990 -0.082 0.000 1.121 226 C CA -0.883 58.055 59.018 -0.133 0.000 1.507 226 C CB -0.292 27.304 27.740 -0.240 0.000 1.975 226 C HN 0.413 nan 8.230 nan 0.000 0.425 227 L N 3.153 124.251 121.223 -0.208 0.000 2.334 227 L HA 0.500 4.828 4.340 -0.021 0.000 0.277 227 L C 0.094 176.831 176.870 -0.222 0.000 1.075 227 L CA 0.287 54.949 54.840 -0.297 0.000 0.804 227 L CB 1.071 42.724 42.059 -0.676 0.000 1.174 227 L HN 0.695 nan 8.230 nan 0.000 0.438 228 E N 4.905 125.033 120.200 -0.121 0.000 2.260 228 E HA 0.336 4.674 4.350 -0.021 0.000 0.266 228 E C -1.737 174.814 176.600 -0.082 0.000 0.887 228 E CA -0.599 55.764 56.400 -0.062 0.000 0.777 228 E CB 1.921 31.669 29.700 0.079 0.000 1.205 228 E HN 0.552 nan 8.360 nan 0.000 0.414 229 L N 4.706 125.864 121.223 -0.109 0.000 2.295 229 L HA 0.579 4.907 4.340 -0.021 0.000 0.285 229 L C -0.330 176.512 176.870 -0.046 0.000 1.035 229 L CA -0.555 54.247 54.840 -0.063 0.000 0.806 229 L CB 1.040 43.063 42.059 -0.059 0.000 1.214 229 L HN 0.535 nan 8.230 nan 0.000 0.426 230 R N 2.874 123.333 120.500 -0.067 0.000 2.803 230 R HA 0.302 4.629 4.340 -0.021 0.000 0.276 230 R C -0.511 175.750 176.300 -0.066 0.000 0.978 230 R CA -0.845 55.178 56.100 -0.128 0.000 0.939 230 R CB 1.556 31.609 30.300 -0.412 0.000 1.179 230 R HN 0.654 nan 8.270 nan 0.000 0.472 231 D N -0.301 120.080 120.400 -0.033 0.000 3.059 231 D HA -0.149 4.478 4.640 -0.021 0.000 0.222 231 D C -0.531 175.805 176.300 0.059 0.000 1.185 231 D CA 1.585 55.594 54.000 0.016 0.000 0.904 231 D CB -1.234 39.571 40.800 0.009 0.000 1.122 231 D HN 0.556 nan 8.370 nan 0.000 0.410 232 T N 1.060 115.659 114.554 0.076 0.000 2.832 232 T HA 0.174 4.511 4.350 -0.021 0.000 0.296 232 T C 0.214 174.979 174.700 0.107 0.000 0.968 232 T CA -0.509 61.653 62.100 0.103 0.000 1.107 232 T CB 1.822 70.757 68.868 0.112 0.000 0.916 232 T HN -0.035 nan 8.240 nan 0.000 0.517 233 D N 2.852 123.331 120.400 0.131 0.000 2.352 233 D HA 0.099 4.726 4.640 -0.021 0.000 0.245 233 D C 0.008 176.388 176.300 0.134 0.000 1.224 233 D CA -0.595 53.481 54.000 0.128 0.000 0.879 233 D CB 0.574 41.461 40.800 0.144 0.000 1.057 233 D HN 0.176 nan 8.370 nan 0.000 0.491 234 L N 3.666 124.916 121.223 0.044 0.000 2.741 234 L HA 0.188 4.516 4.340 -0.021 0.000 0.237 234 L C 0.053 176.903 176.870 -0.032 0.000 1.178 234 L CA -0.128 54.679 54.840 -0.055 0.000 0.973 234 L CB -0.337 41.652 42.059 -0.116 0.000 1.255 234 L HN 0.280 nan 8.230 nan 0.000 0.498 235 D N -0.136 120.277 120.400 0.021 0.000 2.372 235 D HA 0.180 4.808 4.640 -0.021 0.000 0.243 235 D C 1.449 177.768 176.300 0.033 0.000 1.121 235 D CA 1.101 55.126 54.000 0.042 0.000 0.898 235 D CB 0.919 41.757 40.800 0.063 0.000 1.202 235 D HN 0.297 nan 8.370 nan 0.000 0.428 236 T N -1.002 113.585 114.554 0.054 0.000 7.578 236 T HA -0.313 4.025 4.350 -0.021 0.000 0.299 236 T C 0.307 175.018 174.700 0.018 0.000 2.097 236 T CA 0.675 62.819 62.100 0.074 0.000 3.248 236 T CB -2.478 66.475 68.868 0.141 0.000 2.014 236 T HN 0.331 nan 8.240 nan 0.000 1.198 237 F N 3.122 122.890 119.950 -0.302 0.000 2.543 237 F HA 0.551 5.065 4.527 -0.022 0.000 0.375 237 F C 0.294 176.102 175.800 0.013 0.000 1.075 237 F CA -0.451 57.307 58.000 -0.403 0.000 1.225 237 F CB 0.353 39.124 39.000 -0.382 0.000 1.099 237 F HN 0.481 nan 8.300 nan 0.000 0.561 238 H N 6.158 124.730 119.070 -0.829 0.000 2.538 238 H HA 0.371 4.914 4.556 -0.022 0.000 0.353 238 H C -1.655 173.164 175.328 -0.850 0.000 1.109 238 H CA -0.938 54.738 56.048 -0.620 0.000 1.192 238 H CB 1.075 30.695 29.762 -0.237 0.000 1.555 238 H HN 0.593 nan 8.280 nan 0.000 0.518 239 F N 4.133 123.415 119.950 -1.113 0.000 2.408 239 F HA 0.466 4.980 4.527 -0.021 0.000 0.344 239 F C -0.598 174.941 175.800 -0.433 0.000 1.112 239 F CA -0.388 57.217 58.000 -0.659 0.000 1.096 239 F CB 0.985 39.739 39.000 -0.409 0.000 1.129 239 F HN 0.546 nan 8.300 nan 0.000 0.486 240 S N 3.806 118.896 115.700 -1.017 0.000 2.532 240 S HA 0.367 4.824 4.470 -0.021 0.000 0.299 240 S C -0.913 173.129 174.600 -0.930 0.000 1.105 240 S CA -1.035 56.759 58.200 -0.676 0.000 1.018 240 S CB 1.286 64.320 63.200 -0.276 0.000 1.021 240 S HN 0.699 nan 8.310 nan 0.000 0.483 241 E N 2.665 122.524 120.200 -0.569 0.000 2.672 241 E HA -0.004 4.333 4.350 -0.021 0.000 0.234 241 E C -0.232 176.249 176.600 -0.199 0.000 1.162 241 E CA -0.071 56.142 56.400 -0.311 0.000 0.952 241 E CB -0.501 29.158 29.700 -0.067 0.000 0.987 241 E HN 0.520 nan 8.360 nan 0.000 0.507 242 L N 1.166 122.284 121.223 -0.176 0.000 2.426 242 L HA 0.118 4.446 4.340 -0.021 0.000 0.271 242 L C 0.765 177.656 176.870 0.035 0.000 1.169 242 L CA -0.350 54.470 54.840 -0.033 0.000 0.836 242 L CB 0.710 42.805 42.059 0.059 0.000 1.112 242 L HN 0.137 nan 8.230 nan 0.000 0.465 243 S N -0.877 114.842 115.700 0.033 0.000 4.183 243 S HA 0.090 4.547 4.470 -0.021 0.000 0.195 243 S C 0.913 175.544 174.600 0.051 0.000 1.421 243 S CA -0.044 58.179 58.200 0.038 0.000 0.920 243 S CB -0.433 62.782 63.200 0.025 0.000 1.525 243 S HN 0.855 nan 8.310 nan 0.000 0.447 244 T N 1.475 116.071 114.554 0.071 0.000 3.060 244 T HA 0.476 4.813 4.350 -0.021 0.000 0.249 244 T C 0.999 175.724 174.700 0.042 0.000 1.079 244 T CA 0.901 63.038 62.100 0.061 0.000 1.013 244 T CB -0.856 68.065 68.868 0.089 0.000 0.975 244 T HN 1.365 nan 8.240 nan 0.000 0.518 245 G N 1.046 109.874 108.800 0.048 0.000 2.756 245 G HA2 -0.140 3.807 3.960 -0.021 0.000 0.678 245 G HA3 -0.140 3.807 3.960 -0.021 0.000 0.678 245 G C -0.255 174.671 174.900 0.043 0.000 1.349 245 G CA -0.329 44.793 45.100 0.037 0.000 0.847 245 G HN 0.199 nan 8.290 nan 0.000 0.548 246 E N 0.388 120.609 120.200 0.035 0.000 2.365 246 E HA 0.130 4.467 4.350 -0.021 0.000 0.188 246 E C 1.045 177.661 176.600 0.027 0.000 1.102 246 E CA 0.514 56.936 56.400 0.036 0.000 0.927 246 E CB -0.329 29.390 29.700 0.031 0.000 1.073 246 E HN 0.497 nan 8.360 nan 0.000 0.467 247 T N 3.148 117.714 114.554 0.019 0.000 2.799 247 T HA 0.030 4.367 4.350 -0.021 0.000 0.296 247 T C 0.611 175.314 174.700 0.004 0.000 0.947 247 T CA -0.553 61.550 62.100 0.004 0.000 1.141 247 T CB 0.152 69.013 68.868 -0.011 0.000 0.891 247 T HN 0.229 nan 8.240 nan 0.000 0.533 248 N N 2.407 121.109 118.700 0.003 0.000 2.395 248 N HA -0.034 4.694 4.740 -0.021 0.000 0.246 248 N C -0.000 175.501 175.510 -0.015 0.000 1.246 248 N CA -0.181 52.872 53.050 0.005 0.000 0.879 248 N CB 0.606 39.095 38.487 0.004 0.000 1.098 248 N HN 0.436 nan 8.380 nan 0.000 0.444 249 S N 0.521 116.216 115.700 -0.007 0.000 2.584 249 S HA 0.185 4.642 4.470 -0.021 0.000 0.273 249 S C 0.843 175.418 174.600 -0.041 0.000 1.311 249 S CA -0.782 57.395 58.200 -0.038 0.000 1.034 249 S CB 0.469 63.673 63.200 0.006 0.000 0.939 249 S HN 0.544 nan 8.310 nan 0.000 0.513 250 L N 5.199 126.377 121.223 -0.074 0.000 2.585 250 L HA 0.504 4.832 4.340 -0.021 0.000 0.226 250 L C 0.061 176.892 176.870 -0.065 0.000 1.113 250 L CA 0.588 55.390 54.840 -0.063 0.000 0.876 250 L CB -0.321 41.692 42.059 -0.076 0.000 1.072 250 L HN 0.682 nan 8.230 nan 0.000 0.468 251 I N 0.485 121.011 120.570 -0.074 0.000 2.533 251 I HA -0.035 4.123 4.170 -0.021 0.000 0.284 251 I C 1.089 177.188 176.117 -0.030 0.000 1.109 251 I CA 0.498 61.752 61.300 -0.076 0.000 1.412 251 I CB 0.347 38.291 38.000 -0.093 0.000 1.396 251 I HN 0.149 nan 8.210 nan 0.000 0.543 252 K N 4.664 125.041 120.400 -0.038 0.000 2.435 252 K HA 0.193 4.501 4.320 -0.021 0.000 0.199 252 K C 0.375 176.969 176.600 -0.010 0.000 1.153 252 K CA 0.030 56.307 56.287 -0.017 0.000 0.974 252 K CB 0.746 33.230 32.500 -0.026 0.000 0.997 252 K HN 0.422 nan 8.250 nan 0.000 0.547 253 K N 0.846 121.226 120.400 -0.032 0.000 2.471 253 K HA 0.256 4.564 4.320 -0.021 0.000 0.252 253 K C -1.924 174.670 176.600 -0.010 0.000 0.938 253 K CA -0.436 55.837 56.287 -0.024 0.000 0.796 253 K CB 1.258 33.714 32.500 -0.073 0.000 1.161 253 K HN -0.100 nan 8.250 nan 0.000 0.425 254 F N 3.373 123.238 119.950 -0.141 0.000 2.460 254 F HA 0.349 4.864 4.527 -0.020 0.000 0.341 254 F C -0.797 174.801 175.800 -0.337 0.000 1.130 254 F CA -0.662 57.194 58.000 -0.240 0.000 0.962 254 F CB 1.849 40.734 39.000 -0.191 0.000 1.171 254 F HN 0.371 nan 8.300 nan 0.000 0.436 255 T N 6.114 120.699 114.554 0.051 0.000 2.823 255 T HA 0.461 4.798 4.350 -0.021 0.000 0.279 255 T C -1.065 173.442 174.700 -0.323 0.000 0.998 255 T CA -0.216 61.807 62.100 -0.129 0.000 0.994 255 T CB 0.931 69.763 68.868 -0.061 0.000 0.960 255 T HN 0.286 nan 8.240 nan 0.000 0.448 256 F N 2.370 122.172 119.950 -0.247 0.000 2.449 256 F HA 0.557 5.072 4.527 -0.020 0.000 0.342 256 F C 0.536 176.300 175.800 -0.060 0.000 1.127 256 F CA -0.965 56.928 58.000 -0.179 0.000 0.975 256 F CB 1.464 40.274 39.000 -0.315 0.000 1.146 256 F HN 0.213 nan 8.300 nan 0.000 0.444 257 R N 3.082 123.648 120.500 0.110 0.000 2.534 257 R HA 0.292 4.620 4.340 -0.021 0.000 0.301 257 R C 0.213 176.553 176.300 0.067 0.000 0.961 257 R CA -0.401 55.744 56.100 0.076 0.000 0.871 257 R CB 0.968 31.276 30.300 0.014 0.000 1.170 257 R HN 0.881 nan 8.270 nan 0.000 0.446 258 N N 2.555 121.301 118.700 0.077 0.000 2.725 258 N HA -0.167 4.560 4.740 -0.021 0.000 0.251 258 N C -1.377 174.180 175.510 0.077 0.000 1.031 258 N CA 0.336 53.423 53.050 0.062 0.000 0.720 258 N CB -0.122 38.381 38.487 0.025 0.000 0.930 258 N HN 0.178 nan 8.380 nan 0.000 0.543 259 V N 1.185 121.169 119.914 0.117 0.000 2.612 259 V HA 0.360 4.468 4.120 -0.021 0.000 0.301 259 V C 0.362 176.509 176.094 0.088 0.000 1.046 259 V CA -0.376 61.996 62.300 0.120 0.000 0.946 259 V CB 1.873 33.812 31.823 0.193 0.000 1.003 259 V HN 0.129 nan 8.190 nan 0.000 0.459 260 K N 3.608 124.049 120.400 0.069 0.000 2.235 260 K HA 0.713 5.021 4.320 -0.021 0.000 0.266 260 K C -1.063 175.553 176.600 0.026 0.000 0.980 260 K CA -0.409 55.911 56.287 0.055 0.000 0.849 260 K CB 1.939 34.479 32.500 0.067 0.000 1.098 260 K HN 0.470 nan 8.250 nan 0.000 0.445 261 I N 1.156 121.731 120.570 0.009 0.000 2.969 261 I HA 0.352 4.509 4.170 -0.021 0.000 0.307 261 I C -0.661 175.467 176.117 0.018 0.000 1.149 261 I CA -0.134 61.159 61.300 -0.012 0.000 1.008 261 I CB 2.462 40.411 38.000 -0.084 0.000 1.232 261 I HN 0.805 nan 8.210 nan 0.000 0.435 262 T N 0.218 114.793 114.554 0.036 0.000 2.910 262 T HA 0.438 4.775 4.350 -0.021 0.000 0.287 262 T C 0.375 175.128 174.700 0.089 0.000 1.050 262 T CA -0.530 61.595 62.100 0.041 0.000 1.011 262 T CB 1.193 70.078 68.868 0.029 0.000 1.195 262 T HN 0.482 nan 8.240 nan 0.000 0.540 263 D N 0.177 120.600 120.400 0.038 0.000 2.104 263 D HA -0.090 4.537 4.640 -0.021 0.000 0.194 263 D C 1.841 178.260 176.300 0.198 0.000 0.994 263 D CA 1.584 55.634 54.000 0.083 0.000 0.830 263 D CB -0.190 40.449 40.800 -0.268 0.000 0.959 263 D HN 0.787 nan 8.370 nan 0.000 0.452 264 E N 0.757 121.012 120.200 0.093 0.000 2.047 264 E HA -0.137 4.200 4.350 -0.021 0.000 0.191 264 E C 1.972 178.691 176.600 0.199 0.000 0.987 264 E CA 1.914 58.393 56.400 0.131 0.000 0.799 264 E CB -0.340 29.407 29.700 0.078 0.000 0.752 264 E HN 0.185 nan 8.360 nan 0.000 0.449 265 S N 0.793 116.583 115.700 0.150 0.000 2.402 265 S HA -0.111 4.346 4.470 -0.021 0.000 0.229 265 S C 2.046 176.725 174.600 0.132 0.000 1.021 265 S CA 0.953 59.253 58.200 0.166 0.000 0.974 265 S CB -0.528 62.755 63.200 0.137 0.000 0.800 265 S HN 0.365 nan 8.310 nan 0.000 0.484 266 L N 0.412 121.684 121.223 0.082 0.000 2.079 266 L HA -0.023 4.305 4.340 -0.021 0.000 0.210 266 L C 2.160 178.999 176.870 -0.052 0.000 1.081 266 L CA 2.018 56.824 54.840 -0.057 0.000 0.752 266 L CB -1.163 40.844 42.059 -0.086 0.000 0.896 266 L HN 0.448 nan 8.230 nan 0.000 0.433 267 F N 0.948 120.857 119.950 -0.069 0.000 2.186 267 F HA -0.196 4.320 4.527 -0.019 0.000 0.299 267 F C 2.553 178.315 175.800 -0.064 0.000 1.090 267 F CA 1.323 59.276 58.000 -0.079 0.000 1.307 267 F CB -0.222 38.768 39.000 -0.017 0.000 1.019 267 F HN 0.154 nan 8.300 nan 0.000 0.489 268 Q N 0.301 120.058 119.800 -0.072 0.000 2.124 268 Q HA -0.121 4.207 4.340 -0.021 0.000 0.202 268 Q C 2.581 178.559 176.000 -0.037 0.000 0.977 268 Q CA 1.624 57.346 55.803 -0.136 0.000 0.850 268 Q CB -1.026 27.720 28.738 0.013 0.000 0.901 268 Q HN 0.411 nan 8.270 nan 0.000 0.429 269 V N 0.766 120.684 119.914 0.008 0.000 2.427 269 V HA -0.244 3.863 4.120 -0.021 0.000 0.248 269 V C 2.320 178.243 176.094 -0.286 0.000 1.051 269 V CA 1.455 63.666 62.300 -0.149 0.000 1.048 269 V CB -0.473 31.153 31.823 -0.328 0.000 0.666 269 V HN 0.286 nan 8.190 nan 0.000 0.456 270 M N -0.642 118.763 119.600 -0.325 0.000 2.117 270 M HA -0.201 4.266 4.480 -0.021 0.000 0.262 270 M C 2.226 178.265 176.300 -0.435 0.000 1.065 270 M CA 1.905 57.003 55.300 -0.336 0.000 1.114 270 M CB -0.336 32.081 32.600 -0.304 0.000 1.361 270 M HN 0.165 nan 8.290 nan 0.000 0.408 271 K N -0.203 119.815 120.400 -0.636 0.000 2.097 271 K HA -0.189 4.118 4.320 -0.021 0.000 0.206 271 K C 1.799 177.798 176.600 -1.002 0.000 1.049 271 K CA 1.156 56.985 56.287 -0.763 0.000 0.933 271 K CB -0.363 31.643 32.500 -0.824 0.000 0.717 271 K HN 0.210 nan 8.250 nan 0.000 0.442 272 L N 1.223 121.863 121.223 -0.973 0.000 2.056 272 L HA -0.106 4.221 4.340 -0.021 0.000 0.207 272 L C 1.778 178.426 176.870 -0.369 0.000 1.078 272 L CA 1.469 55.826 54.840 -0.806 0.000 0.749 272 L CB -0.250 41.582 42.059 -0.379 0.000 0.901 272 L HN 0.111 nan 8.230 nan 0.000 0.433 273 L N -0.442 120.626 121.223 -0.258 0.000 2.131 273 L HA -0.222 4.105 4.340 -0.021 0.000 0.210 273 L C 1.931 178.766 176.870 -0.058 0.000 1.092 273 L CA 1.530 56.322 54.840 -0.080 0.000 0.759 273 L CB -0.780 41.227 42.059 -0.088 0.000 0.903 273 L HN 0.429 nan 8.230 nan 0.000 0.435 274 N N -0.469 118.143 118.700 -0.147 0.000 2.609 274 N HA -0.130 4.598 4.740 -0.021 0.000 0.190 274 N C 1.201 176.693 175.510 -0.030 0.000 1.157 274 N CA 0.078 53.075 53.050 -0.089 0.000 0.918 274 N CB 0.179 38.589 38.487 -0.128 0.000 0.978 274 N HN 0.368 nan 8.380 nan 0.000 0.448 275 Q N 0.143 119.941 119.800 -0.004 0.000 2.360 275 Q HA 0.186 4.513 4.340 -0.021 0.000 0.202 275 Q C 0.068 176.170 176.000 0.169 0.000 0.915 275 Q CA 0.365 56.237 55.803 0.116 0.000 0.943 275 Q CB 0.790 29.661 28.738 0.222 0.000 1.064 275 Q HN 0.438 nan 8.270 nan 0.000 0.511 276 I N 1.278 121.928 120.570 0.134 0.000 2.778 276 I HA 0.065 4.223 4.170 -0.021 0.000 0.285 276 I C 1.155 177.318 176.117 0.076 0.000 1.236 276 I CA -0.168 61.212 61.300 0.132 0.000 1.089 276 I CB 0.851 38.961 38.000 0.183 0.000 1.601 276 I HN -0.076 nan 8.210 nan 0.000 0.573 277 S N 1.575 117.310 115.700 0.057 0.000 2.440 277 S HA -0.145 4.312 4.470 -0.021 0.000 0.240 277 S C 1.780 176.400 174.600 0.033 0.000 1.014 277 S CA 1.263 59.486 58.200 0.039 0.000 0.980 277 S CB -0.307 62.913 63.200 0.034 0.000 0.775 277 S HN 0.677 nan 8.310 nan 0.000 0.499 278 G N 0.467 109.287 108.800 0.033 0.000 3.042 278 G HA2 0.323 4.270 3.960 -0.021 0.000 0.212 278 G HA3 0.323 4.270 3.960 -0.021 0.000 0.212 278 G C 0.208 175.123 174.900 0.025 0.000 1.166 278 G CA -0.444 44.669 45.100 0.023 0.000 0.767 278 G HN 0.481 nan 8.290 nan 0.000 0.546 279 L N 0.894 122.142 121.223 0.042 0.000 2.540 279 L HA 0.245 4.572 4.340 -0.021 0.000 0.276 279 L C 0.872 177.763 176.870 0.035 0.000 1.212 279 L CA 0.525 55.395 54.840 0.051 0.000 0.893 279 L CB 0.658 42.767 42.059 0.084 0.000 1.138 279 L HN 0.087 nan 8.230 nan 0.000 0.491 280 L N 2.924 124.163 121.223 0.025 0.000 2.766 280 L HA 0.395 4.722 4.340 -0.021 0.000 0.241 280 L C 0.280 177.159 176.870 0.015 0.000 1.080 280 L CA -0.071 54.779 54.840 0.016 0.000 0.909 280 L CB 0.250 42.310 42.059 0.002 0.000 1.277 280 L HN 0.675 nan 8.230 nan 0.000 0.510 281 E N 1.138 121.348 120.200 0.016 0.000 2.256 281 E HA 0.469 4.807 4.350 -0.021 0.000 0.268 281 E C -1.637 174.977 176.600 0.024 0.000 0.877 281 E CA -0.434 55.972 56.400 0.011 0.000 0.757 281 E CB 2.448 32.140 29.700 -0.013 0.000 1.183 281 E HN -0.013 nan 8.360 nan 0.000 0.418 282 L N 3.886 125.123 121.223 0.023 0.000 2.341 282 L HA 0.555 4.883 4.340 -0.021 0.000 0.278 282 L C -0.967 175.884 176.870 -0.030 0.000 1.005 282 L CA -0.502 54.336 54.840 -0.002 0.000 0.818 282 L CB 1.690 43.772 42.059 0.038 0.000 1.259 282 L HN 0.722 nan 8.230 nan 0.000 0.418 283 E N 3.473 123.580 120.200 -0.154 0.000 2.314 283 E HA 0.465 4.802 4.350 -0.021 0.000 0.272 283 E C -1.959 174.472 176.600 -0.281 0.000 0.884 283 E CA -0.576 55.761 56.400 -0.104 0.000 0.753 283 E CB 1.987 31.662 29.700 -0.041 0.000 1.213 283 E HN 0.404 nan 8.360 nan 0.000 0.432 284 F N 2.527 122.525 119.950 0.079 0.000 2.577 284 F HA 0.328 4.843 4.527 -0.019 0.000 0.344 284 F C -0.704 175.124 175.800 0.046 0.000 1.145 284 F CA -0.834 57.209 58.000 0.071 0.000 0.996 284 F CB 1.632 40.627 39.000 -0.008 0.000 1.248 284 F HN 0.251 nan 8.300 nan 0.000 0.447 285 D N 3.594 124.110 120.400 0.192 0.000 2.344 285 D HA 0.238 4.865 4.640 -0.021 0.000 0.239 285 D C -0.152 176.213 176.300 0.109 0.000 1.064 285 D CA -0.033 54.040 54.000 0.121 0.000 0.829 285 D CB 1.109 41.954 40.800 0.075 0.000 1.129 285 D HN 0.508 nan 8.370 nan 0.000 0.506 286 D N 0.843 121.294 120.400 0.086 0.000 2.751 286 D HA -0.179 4.448 4.640 -0.021 0.000 0.233 286 D C -0.188 176.162 176.300 0.084 0.000 1.149 286 D CA 0.578 54.619 54.000 0.068 0.000 0.682 286 D CB -1.200 39.628 40.800 0.047 0.000 1.068 286 D HN 0.308 nan 8.370 nan 0.000 0.429 287 C N -0.250 119.114 119.300 0.106 0.000 2.328 287 C HA 0.629 5.077 4.460 -0.021 0.000 0.378 287 C C 1.034 176.076 174.990 0.087 0.000 1.249 287 C CA -0.320 58.761 59.018 0.105 0.000 2.204 287 C CB 1.759 29.584 27.740 0.142 0.000 2.218 287 C HN 0.262 nan 8.230 nan 0.000 0.564 288 T N 1.991 116.592 114.554 0.078 0.000 2.840 288 T HA 0.460 4.797 4.350 -0.021 0.000 0.287 288 T C -0.949 173.774 174.700 0.038 0.000 0.991 288 T CA -0.190 61.967 62.100 0.095 0.000 0.964 288 T CB 1.134 70.089 68.868 0.144 0.000 0.954 288 T HN 0.464 nan 8.240 nan 0.000 0.438 289 L N 4.080 125.310 121.223 0.011 0.000 2.277 289 L HA 0.450 4.778 4.340 -0.021 0.000 0.284 289 L C 0.218 177.102 176.870 0.025 0.000 1.028 289 L CA -0.220 54.629 54.840 0.015 0.000 0.835 289 L CB 0.443 42.523 42.059 0.034 0.000 1.215 289 L HN 0.647 nan 8.230 nan 0.000 0.425 290 N N 4.273 122.988 118.700 0.025 0.000 2.968 290 N HA 0.469 5.197 4.740 -0.021 0.000 0.271 290 N C -0.207 175.292 175.510 -0.018 0.000 1.174 290 N CA 0.339 53.397 53.050 0.013 0.000 1.096 290 N CB 0.152 38.653 38.487 0.024 0.000 1.403 290 N HN 0.884 nan 8.380 nan 0.000 0.522 291 G N -0.489 108.293 108.800 -0.031 0.000 2.489 291 G HA2 0.231 4.178 3.960 -0.021 0.000 0.305 291 G HA3 0.231 4.178 3.960 -0.021 0.000 0.305 291 G C -0.088 174.726 174.900 -0.143 0.000 1.311 291 G CA -0.426 44.596 45.100 -0.131 0.000 0.813 291 G HN 0.181 nan 8.290 nan 0.000 0.480 292 V N -3.097 116.566 119.914 -0.418 0.000 3.253 292 V HA 0.626 4.733 4.120 -0.021 0.000 0.320 292 V C 1.306 176.529 176.094 -1.452 0.000 1.442 292 V CA 0.698 62.655 62.300 -0.572 0.000 1.097 292 V CB 0.078 31.648 31.823 -0.421 0.000 1.008 292 V HN 2.724 nan 8.190 nan 0.000 0.463 293 G N 1.824 109.707 108.800 -1.529 0.000 2.136 293 G HA2 -0.316 3.632 3.960 -0.021 0.000 0.242 293 G HA3 -0.316 3.632 3.960 -0.021 0.000 0.242 293 G C 0.080 173.935 174.900 -1.741 0.000 0.989 293 G CA 0.336 44.207 45.100 -2.048 0.000 0.682 293 G HN 0.823 nan 8.290 nan 0.000 0.522 294 N N 0.570 118.380 118.700 -1.483 0.000 3.124 294 N HA 0.510 5.238 4.740 -0.021 0.000 0.284 294 N C 0.291 175.374 175.510 -0.711 0.000 1.209 294 N CA -0.360 52.040 53.050 -1.083 0.000 1.149 294 N CB -0.453 37.401 38.487 -1.055 0.000 1.434 294 N HN 0.298 nan 8.380 nan 0.000 0.529 295 F N 0.642 120.396 119.950 -0.327 0.000 2.380 295 F HA 0.473 4.989 4.527 -0.018 0.000 0.319 295 F C 1.262 176.914 175.800 -0.248 0.000 1.113 295 F CA -1.139 56.722 58.000 -0.231 0.000 1.056 295 F CB 0.850 39.762 39.000 -0.147 0.000 1.289 295 F HN 0.162 nan 8.300 nan 0.000 0.515 296 R N 0.440 120.882 120.500 -0.097 0.000 2.514 296 R HA 0.783 5.110 4.340 -0.021 0.000 0.301 296 R C -0.472 175.697 176.300 -0.218 0.000 0.962 296 R CA -0.711 55.206 56.100 -0.304 0.000 0.882 296 R CB 1.548 31.474 30.300 -0.624 0.000 1.143 296 R HN 0.717 nan 8.270 nan 0.000 0.452 297 A N 1.970 124.737 122.820 -0.088 0.000 2.275 297 A HA 0.245 4.553 4.320 -0.021 0.000 0.212 297 A C -0.122 177.552 177.584 0.150 0.000 1.201 297 A CA 0.129 52.204 52.037 0.064 0.000 0.843 297 A CB 0.189 19.211 19.000 0.036 0.000 0.873 297 A HN 0.686 nan 8.150 nan 0.000 0.492 298 S N -1.381 114.338 115.700 0.031 0.000 2.638 298 S HA 0.484 4.941 4.470 -0.021 0.000 0.274 298 S C -0.937 173.684 174.600 0.035 0.000 1.157 298 S CA -0.781 57.497 58.200 0.129 0.000 0.826 298 S CB 1.872 65.109 63.200 0.061 0.000 1.139 298 S HN 0.391 nan 8.310 nan 0.000 0.474 299 D N -0.419 120.116 120.400 0.225 0.000 2.602 299 D HA 0.408 5.035 4.640 -0.021 0.000 0.228 299 D C 0.095 176.455 176.300 0.099 0.000 1.202 299 D CA -0.431 53.688 54.000 0.197 0.000 1.084 299 D CB 0.808 41.845 40.800 0.394 0.000 1.204 299 D HN 0.404 nan 8.370 nan 0.000 0.629 300 N N -0.047 118.715 118.700 0.103 0.000 2.322 300 N HA 0.032 4.760 4.740 -0.021 0.000 0.181 300 N C 0.127 175.680 175.510 0.072 0.000 1.088 300 N CA 0.459 53.549 53.050 0.068 0.000 0.885 300 N CB 1.039 39.561 38.487 0.059 0.000 1.013 300 N HN 0.337 nan 8.380 nan 0.000 0.472 301 D N 0.679 121.135 120.400 0.093 0.000 2.999 301 D HA 0.138 4.766 4.640 -0.021 0.000 0.273 301 D C 0.491 176.839 176.300 0.081 0.000 1.485 301 D CA 0.413 54.462 54.000 0.080 0.000 1.101 301 D CB 0.590 41.440 40.800 0.084 0.000 1.109 301 D HN -0.030 nan 8.370 nan 0.000 0.368 302 R N 1.347 121.903 120.500 0.093 0.000 2.393 302 R HA 0.457 4.784 4.340 -0.021 0.000 0.310 302 R C -0.238 176.123 176.300 0.102 0.000 0.968 302 R CA -0.584 55.562 56.100 0.077 0.000 0.867 302 R CB 2.441 32.773 30.300 0.054 0.000 1.124 302 R HN 0.000 nan 8.270 nan 0.000 0.450 303 V N 1.179 121.147 119.914 0.089 0.000 2.567 303 V HA 0.376 4.484 4.120 -0.021 0.000 0.289 303 V C 0.564 176.707 176.094 0.081 0.000 1.049 303 V CA -1.006 61.361 62.300 0.112 0.000 0.969 303 V CB 0.938 32.812 31.823 0.084 0.000 0.995 303 V HN 0.498 nan 8.190 nan 0.000 0.471 304 I N 3.516 124.150 120.570 0.107 0.000 2.668 304 I HA 0.140 4.298 4.170 -0.021 0.000 0.285 304 I C 0.494 176.627 176.117 0.026 0.000 1.168 304 I CA 0.746 62.064 61.300 0.031 0.000 1.424 304 I CB -0.141 37.886 38.000 0.045 0.000 1.377 304 I HN 0.857 nan 8.210 nan 0.000 0.560 305 D N 8.809 129.210 120.400 0.001 0.000 2.193 305 D HA 0.275 4.902 4.640 -0.021 0.000 0.244 305 D C -1.791 174.515 176.300 0.011 0.000 1.064 305 D CA -1.746 52.262 54.000 0.014 0.000 0.845 305 D CB 2.508 43.315 40.800 0.011 0.000 1.148 305 D HN 0.188 nan 8.370 nan 0.000 0.464 306 P HA 0.024 nan 4.420 nan 0.000 0.220 306 P C 0.725 178.040 177.300 0.024 0.000 1.148 306 P CA 1.023 64.140 63.100 0.028 0.000 0.803 306 P CB 0.136 31.862 31.700 0.043 0.000 0.782 307 G N 0.290 109.103 108.800 0.023 0.000 2.574 307 G HA2 -0.337 3.610 3.960 -0.021 0.000 0.286 307 G HA3 -0.337 3.610 3.960 -0.021 0.000 0.286 307 G C 0.359 175.275 174.900 0.026 0.000 1.212 307 G CA 0.496 45.610 45.100 0.023 0.000 0.979 307 G HN 0.307 nan 8.290 nan 0.000 0.557 308 K N -0.339 120.077 120.400 0.026 0.000 2.478 308 K HA 0.436 4.744 4.320 -0.021 0.000 0.205 308 K C 0.365 176.980 176.600 0.025 0.000 1.033 308 K CA -0.187 56.114 56.287 0.025 0.000 1.091 308 K CB 1.352 33.865 32.500 0.021 0.000 0.844 308 K HN 0.303 nan 8.250 nan 0.000 0.507 309 V N 3.601 123.532 119.914 0.029 0.000 2.493 309 V HA -0.088 4.019 4.120 -0.021 0.000 0.292 309 V C 1.387 177.500 176.094 0.032 0.000 1.016 309 V CA 0.866 63.184 62.300 0.031 0.000 1.097 309 V CB 0.289 32.132 31.823 0.034 0.000 0.947 309 V HN 0.465 nan 8.190 nan 0.000 0.479 310 E N 3.064 123.280 120.200 0.026 0.000 2.465 310 E HA 0.094 4.431 4.350 -0.021 0.000 0.209 310 E C 0.540 177.156 176.600 0.027 0.000 0.951 310 E CA 0.246 56.662 56.400 0.026 0.000 0.997 310 E CB 0.766 30.476 29.700 0.016 0.000 1.025 310 E HN 0.677 nan 8.360 nan 0.000 0.500 311 T N -0.126 114.442 114.554 0.023 0.000 2.881 311 T HA 0.569 4.907 4.350 -0.021 0.000 0.290 311 T C -1.078 173.647 174.700 0.042 0.000 1.000 311 T CA -0.956 61.160 62.100 0.026 0.000 0.978 311 T CB 2.014 70.878 68.868 -0.006 0.000 0.997 311 T HN 0.089 nan 8.240 nan 0.000 0.443 312 L N 2.857 124.117 121.223 0.062 0.000 2.349 312 L HA 0.752 5.079 4.340 -0.021 0.000 0.278 312 L C -0.722 176.204 176.870 0.093 0.000 0.996 312 L CA -0.058 54.833 54.840 0.085 0.000 0.825 312 L CB 2.063 44.175 42.059 0.089 0.000 1.243 312 L HN 0.926 nan 8.230 nan 0.000 0.412 313 T N 6.770 121.388 114.554 0.106 0.000 2.815 313 T HA 0.628 4.966 4.350 -0.021 0.000 0.289 313 T C -0.358 174.432 174.700 0.151 0.000 1.000 313 T CA -0.064 62.097 62.100 0.102 0.000 0.958 313 T CB 0.604 69.510 68.868 0.064 0.000 0.944 313 T HN 0.430 nan 8.240 nan 0.000 0.442 314 I N 3.657 124.301 120.570 0.123 0.000 2.447 314 I HA 0.478 4.636 4.170 -0.021 0.000 0.287 314 I C -0.032 176.128 176.117 0.071 0.000 1.023 314 I CA -0.797 60.579 61.300 0.126 0.000 1.083 314 I CB 1.637 39.672 38.000 0.058 0.000 1.245 314 I HN 0.296 nan 8.210 nan 0.000 0.434 315 R N 5.716 126.263 120.500 0.080 0.000 2.513 315 R HA 0.554 4.882 4.340 -0.021 0.000 0.301 315 R C -0.579 175.745 176.300 0.041 0.000 0.968 315 R CA -1.055 55.075 56.100 0.049 0.000 0.872 315 R CB 1.921 32.252 30.300 0.050 0.000 1.177 315 R HN 0.530 nan 8.270 nan 0.000 0.444 316 R N 1.199 121.709 120.500 0.017 0.000 3.188 316 R HA -0.204 4.123 4.340 -0.021 0.000 0.247 316 R C -0.580 175.736 176.300 0.028 0.000 0.918 316 R CA 0.138 56.247 56.100 0.015 0.000 0.629 316 R CB -1.212 29.101 30.300 0.021 0.000 1.087 316 R HN 0.323 nan 8.270 nan 0.000 0.462 317 L N 1.478 122.701 121.223 -0.001 0.000 2.283 317 L HA 0.222 4.550 4.340 -0.021 0.000 0.287 317 L C 0.183 177.054 176.870 0.002 0.000 1.073 317 L CA -0.435 54.398 54.840 -0.012 0.000 0.822 317 L CB 0.495 42.502 42.059 -0.087 0.000 1.186 317 L HN 0.171 nan 8.230 nan 0.000 0.436 318 H N 5.575 124.621 119.070 -0.040 0.000 2.742 318 H HA 0.478 5.022 4.556 -0.020 0.000 0.302 318 H C -0.857 174.468 175.328 -0.006 0.000 1.069 318 H CA -0.031 56.002 56.048 -0.026 0.000 1.446 318 H CB 0.392 30.153 29.762 -0.001 0.000 1.462 318 H HN 0.630 nan 8.280 nan 0.000 0.499 319 I N 8.685 128.979 120.570 -0.462 0.000 2.466 319 I HA 0.171 4.328 4.170 -0.021 0.000 0.279 319 I C -1.747 174.189 176.117 -0.301 0.000 1.033 319 I CA -2.015 59.115 61.300 -0.283 0.000 1.123 319 I CB 2.027 39.948 38.000 -0.132 0.000 1.237 319 I HN 0.578 nan 8.210 nan 0.000 0.460 320 P HA -0.183 nan 4.420 nan 0.000 0.218 320 P C 0.566 177.938 177.300 0.120 0.000 1.154 320 P CA 1.400 64.455 63.100 -0.075 0.000 0.872 320 P CB 0.125 31.835 31.700 0.016 0.000 0.790 321 R N -0.646 119.868 120.500 0.024 0.000 3.335 321 R HA 0.199 4.526 4.340 -0.021 0.000 0.337 321 R C 1.110 177.297 176.300 -0.187 0.000 1.283 321 R CA -0.322 55.662 56.100 -0.194 0.000 1.246 321 R CB -1.219 28.908 30.300 -0.289 0.000 1.464 321 R HN 0.370 nan 8.270 nan 0.000 0.607 322 F N 0.325 120.270 119.950 -0.007 0.000 2.202 322 F HA -0.271 4.246 4.527 -0.016 0.000 0.301 322 F C 1.722 177.683 175.800 0.268 0.000 1.082 322 F CA 0.904 58.954 58.000 0.083 0.000 1.313 322 F CB -0.719 38.327 39.000 0.076 0.000 1.024 322 F HN 0.200 nan 8.300 nan 0.000 0.495 323 Y N -0.982 118.729 120.300 -0.980 0.000 2.616 323 Y HA 0.218 4.754 4.550 -0.023 0.000 0.296 323 Y C 1.134 176.911 175.900 -0.205 0.000 1.154 323 Y CA 0.144 57.814 58.100 -0.718 0.000 1.325 323 Y CB -0.579 37.343 38.460 -0.897 0.000 1.007 323 Y HN 0.170 nan 8.280 nan 0.000 0.542 324 L N -0.668 120.252 121.223 -0.506 0.000 2.766 324 L HA 0.285 4.613 4.340 -0.021 0.000 0.242 324 L C -0.147 176.726 176.870 0.005 0.000 1.136 324 L CA -1.053 53.615 54.840 -0.286 0.000 0.933 324 L CB -0.906 40.877 42.059 -0.460 0.000 1.241 324 L HN 0.161 nan 8.230 nan 0.000 0.522 325 F N -0.146 119.778 119.950 -0.044 0.000 2.629 325 F HA -0.013 4.503 4.527 -0.019 0.000 0.369 325 F C 0.709 176.585 175.800 0.125 0.000 1.125 325 F CA 0.305 58.323 58.000 0.030 0.000 1.330 325 F CB 0.204 39.204 39.000 0.000 0.000 1.071 325 F HN -0.057 nan 8.300 nan 0.000 0.595 326 Y N 2.465 122.449 120.300 -0.526 0.000 2.281 326 Y HA 0.062 4.602 4.550 -0.016 0.000 0.337 326 Y C 1.483 177.289 175.900 -0.158 0.000 1.304 326 Y CA -0.670 57.226 58.100 -0.341 0.000 1.465 326 Y CB 0.265 38.443 38.460 -0.469 0.000 1.350 326 Y HN 0.555 nan 8.280 nan 0.000 0.575 327 D N -0.785 119.619 120.400 0.007 0.000 2.378 327 D HA -0.054 4.574 4.640 -0.021 0.000 0.227 327 D C 0.554 176.861 176.300 0.011 0.000 1.012 327 D CA 0.583 54.599 54.000 0.027 0.000 0.905 327 D CB -0.390 40.410 40.800 -0.001 0.000 0.895 327 D HN 0.602 nan 8.370 nan 0.000 0.532 328 L N -0.158 121.052 121.223 -0.022 0.000 4.429 328 L HA -0.323 4.005 4.340 -0.021 0.000 0.422 328 L C 1.667 178.345 176.870 -0.321 0.000 1.149 328 L CA 0.594 55.403 54.840 -0.051 0.000 0.972 328 L CB -2.484 39.631 42.059 0.093 0.000 2.059 328 L HN 0.308 nan 8.230 nan 0.000 0.870 329 S N -1.634 113.759 115.700 -0.513 0.000 2.442 329 S HA -0.157 4.300 4.470 -0.021 0.000 0.236 329 S C 1.717 175.800 174.600 -0.861 0.000 1.007 329 S CA 1.347 58.783 58.200 -1.273 0.000 0.965 329 S CB -0.500 62.278 63.200 -0.703 0.000 0.773 329 S HN 0.649 nan 8.310 nan 0.000 0.504 330 T N -0.495 113.834 114.554 -0.375 0.000 3.227 330 T HA 0.266 4.603 4.350 -0.021 0.000 0.257 330 T C 1.073 175.702 174.700 -0.118 0.000 1.162 330 T CA 0.333 62.319 62.100 -0.189 0.000 1.051 330 T CB -0.517 68.296 68.868 -0.092 0.000 0.953 330 T HN 0.491 nan 8.240 nan 0.000 0.535 331 L N -1.449 119.668 121.223 -0.178 0.000 2.966 331 L HA 0.348 4.676 4.340 -0.021 0.000 0.262 331 L C 1.240 178.124 176.870 0.023 0.000 1.165 331 L CA -0.414 54.398 54.840 -0.047 0.000 0.978 331 L CB -0.037 42.021 42.059 -0.002 0.000 1.337 331 L HN 0.059 nan 8.230 nan 0.000 0.563 332 Y N 1.006 121.254 120.300 -0.087 0.000 2.228 332 Y HA -0.273 4.264 4.550 -0.022 0.000 0.285 332 Y C 2.854 178.749 175.900 -0.009 0.000 1.178 332 Y CA 1.225 59.216 58.100 -0.183 0.000 1.202 332 Y CB -0.919 37.294 38.460 -0.411 0.000 0.974 332 Y HN 0.305 nan 8.280 nan 0.000 0.527 333 S N -1.059 114.746 115.700 0.176 0.000 2.603 333 S HA 0.082 4.539 4.470 -0.021 0.000 0.220 333 S C 1.046 175.712 174.600 0.109 0.000 0.967 333 S CA 0.282 58.566 58.200 0.142 0.000 0.920 333 S CB -0.690 62.574 63.200 0.108 0.000 0.773 333 S HN 0.458 nan 8.310 nan 0.000 0.529 334 L N 1.044 122.329 121.223 0.104 0.000 3.016 334 L HA 0.268 4.595 4.340 -0.021 0.000 0.267 334 L C 1.824 178.749 176.870 0.093 0.000 1.182 334 L CA 0.432 55.318 54.840 0.077 0.000 0.997 334 L CB 0.115 42.199 42.059 0.042 0.000 1.354 334 L HN 0.428 nan 8.230 nan 0.000 0.569 335 T N -4.690 109.944 114.554 0.133 0.000 3.015 335 T HA -0.025 4.313 4.350 -0.021 0.000 0.250 335 T C 1.428 176.215 174.700 0.145 0.000 1.057 335 T CA 0.227 62.418 62.100 0.151 0.000 1.066 335 T CB 0.269 69.263 68.868 0.211 0.000 0.959 335 T HN 0.212 nan 8.240 nan 0.000 0.488 336 E N 1.306 121.588 120.200 0.137 0.000 2.209 336 E HA -0.145 4.192 4.350 -0.021 0.000 0.196 336 E C 2.168 178.818 176.600 0.085 0.000 0.993 336 E CA 0.852 57.317 56.400 0.108 0.000 0.819 336 E CB 0.096 29.851 29.700 0.092 0.000 0.745 336 E HN 0.511 nan 8.360 nan 0.000 0.477 337 R N -0.305 120.241 120.500 0.078 0.000 2.279 337 R HA 0.145 4.473 4.340 -0.021 0.000 0.195 337 R C 0.644 176.980 176.300 0.061 0.000 0.905 337 R CA -0.050 56.088 56.100 0.063 0.000 1.044 337 R CB 0.434 30.765 30.300 0.052 0.000 1.056 337 R HN 0.015 nan 8.270 nan 0.000 0.535 338 V N 2.898 122.852 119.914 0.068 0.000 2.617 338 V HA -0.112 3.996 4.120 -0.021 0.000 0.304 338 V C 0.692 176.824 176.094 0.064 0.000 1.040 338 V CA 1.002 63.339 62.300 0.062 0.000 1.149 338 V CB 0.720 32.583 31.823 0.068 0.000 0.914 338 V HN 0.264 nan 8.190 nan 0.000 0.487 339 K N 5.451 125.883 120.400 0.054 0.000 2.348 339 K HA 0.297 4.604 4.320 -0.021 0.000 0.194 339 K C 0.306 176.951 176.600 0.075 0.000 1.052 339 K CA 0.203 56.525 56.287 0.057 0.000 1.004 339 K CB 0.525 33.050 32.500 0.042 0.000 0.873 339 K HN 0.593 nan 8.250 nan 0.000 0.523 340 R N 0.872 121.418 120.500 0.076 0.000 2.532 340 R HA 0.497 4.825 4.340 -0.021 0.000 0.297 340 R C -1.052 175.327 176.300 0.132 0.000 0.984 340 R CA -0.408 55.776 56.100 0.140 0.000 0.884 340 R CB 2.016 32.345 30.300 0.047 0.000 1.182 340 R HN -0.060 nan 8.270 nan 0.000 0.442 341 I N 1.447 122.110 120.570 0.156 0.000 2.533 341 I HA 0.364 4.521 4.170 -0.021 0.000 0.290 341 I C -0.607 175.560 176.117 0.083 0.000 1.056 341 I CA -0.603 60.746 61.300 0.083 0.000 1.057 341 I CB 2.826 40.832 38.000 0.010 0.000 1.240 341 I HN 0.488 nan 8.210 nan 0.000 0.423 342 T N 5.213 119.819 114.554 0.086 0.000 2.879 342 T HA 0.517 4.854 4.350 -0.021 0.000 0.290 342 T C -0.651 174.069 174.700 0.035 0.000 0.993 342 T CA -0.468 61.674 62.100 0.071 0.000 0.975 342 T CB 1.930 70.872 68.868 0.124 0.000 0.981 342 T HN 0.206 nan 8.240 nan 0.000 0.439 343 V N 3.392 123.305 119.914 -0.002 0.000 2.454 343 V HA 0.368 4.476 4.120 -0.021 0.000 0.267 343 V C -0.104 175.976 176.094 -0.023 0.000 0.993 343 V CA -0.771 61.519 62.300 -0.017 0.000 0.836 343 V CB 1.161 32.959 31.823 -0.042 0.000 1.055 343 V HN 0.869 nan 8.190 nan 0.000 0.452 344 E N 3.980 124.176 120.200 -0.007 0.000 2.204 344 E HA 0.346 4.684 4.350 -0.021 0.000 0.276 344 E C 0.399 176.990 176.600 -0.014 0.000 0.974 344 E CA -0.632 55.764 56.400 -0.006 0.000 0.815 344 E CB 0.866 30.573 29.700 0.011 0.000 1.119 344 E HN 0.567 nan 8.360 nan 0.000 0.393 345 N N 2.398 121.087 118.700 -0.018 0.000 2.705 345 N HA -0.182 4.546 4.740 -0.021 0.000 0.255 345 N C -1.275 174.208 175.510 -0.046 0.000 1.008 345 N CA 1.193 54.228 53.050 -0.025 0.000 0.742 345 N CB -1.175 37.305 38.487 -0.012 0.000 0.906 345 N HN 0.339 nan 8.380 nan 0.000 0.541 346 S N 0.318 115.975 115.700 -0.071 0.000 2.941 346 S HA 0.194 4.651 4.470 -0.021 0.000 0.251 346 S C 0.173 174.678 174.600 -0.159 0.000 1.029 346 S CA -0.298 57.835 58.200 -0.111 0.000 1.062 346 S CB 0.485 63.614 63.200 -0.119 0.000 0.977 346 S HN 0.472 nan 8.310 nan 0.000 0.552 347 K N 0.671 120.986 120.400 -0.143 0.000 3.069 347 K HA -0.127 4.181 4.320 -0.021 0.000 0.267 347 K C -0.486 176.092 176.600 -0.036 0.000 1.082 347 K CA 0.194 56.398 56.287 -0.138 0.000 0.782 347 K CB -2.127 30.095 32.500 -0.463 0.000 1.230 347 K HN 0.286 nan 8.250 nan 0.000 0.488 348 V N 2.173 122.033 119.914 -0.091 0.000 2.479 348 V HA 0.020 4.127 4.120 -0.021 0.000 0.281 348 V C 1.060 177.136 176.094 -0.030 0.000 1.031 348 V CA 0.478 62.670 62.300 -0.179 0.000 1.038 348 V CB -0.250 31.507 31.823 -0.111 0.000 0.981 348 V HN 0.361 nan 8.190 nan 0.000 0.478 349 F N 4.083 124.098 119.950 0.108 0.000 2.728 349 F HA 0.716 5.230 4.527 -0.022 0.000 0.314 349 F C -0.349 175.512 175.800 0.102 0.000 1.094 349 F CA -0.735 57.336 58.000 0.118 0.000 1.217 349 F CB 0.301 39.368 39.000 0.112 0.000 1.056 349 F HN 0.354 nan 8.300 nan 0.000 0.577 350 L N 0.724 121.951 121.223 0.006 0.000 2.643 350 L HA 0.642 4.969 4.340 -0.021 0.000 0.257 350 L C -1.934 174.964 176.870 0.047 0.000 0.922 350 L CA -0.670 54.234 54.840 0.108 0.000 0.909 350 L CB 2.166 44.323 42.059 0.163 0.000 1.424 350 L HN -0.174 nan 8.230 nan 0.000 0.422 351 V N 5.854 125.858 119.914 0.149 0.000 2.304 351 V HA 0.461 4.568 4.120 -0.021 0.000 0.278 351 V C -2.136 174.051 176.094 0.155 0.000 1.018 351 V CA -1.622 60.792 62.300 0.191 0.000 0.814 351 V CB 1.355 33.402 31.823 0.374 0.000 1.021 351 V HN 0.679 nan 8.190 nan 0.000 0.440 352 P HA -0.035 nan 4.420 nan 0.000 0.261 352 P C 1.098 178.440 177.300 0.069 0.000 1.173 352 P CA 0.248 63.409 63.100 0.103 0.000 0.760 352 P CB 0.454 32.228 31.700 0.123 0.000 0.783 353 c N 5.009 123.620 118.600 0.018 0.000 2.376 353 c HA -0.189 4.368 4.570 -0.021 0.000 0.275 353 c C 2.447 176.522 174.090 -0.025 0.000 1.200 353 c CA 1.105 57.402 56.329 -0.053 0.000 1.756 353 c CB -1.784 40.700 42.510 -0.044 0.000 2.050 353 c HN 0.491 nan 8.230 nan 0.000 0.460 354 L N 0.496 121.745 121.223 0.043 0.000 2.079 354 L HA -0.107 4.220 4.340 -0.021 0.000 0.210 354 L C 2.487 179.426 176.870 0.116 0.000 1.081 354 L CA 1.976 56.854 54.840 0.064 0.000 0.752 354 L CB -1.665 40.462 42.059 0.114 0.000 0.896 354 L HN 0.517 nan 8.230 nan 0.000 0.433 355 L N -0.705 120.637 121.223 0.199 0.000 2.056 355 L HA -0.122 4.205 4.340 -0.021 0.000 0.207 355 L C 2.516 179.522 176.870 0.226 0.000 1.078 355 L CA 1.634 56.641 54.840 0.280 0.000 0.749 355 L CB -0.603 41.646 42.059 0.316 0.000 0.901 355 L HN 0.076 nan 8.230 nan 0.000 0.433 356 S N -0.638 115.127 115.700 0.109 0.000 2.419 356 S HA -0.200 4.257 4.470 -0.021 0.000 0.233 356 S C 1.832 176.389 174.600 -0.071 0.000 1.016 356 S CA 1.335 59.502 58.200 -0.056 0.000 0.974 356 S CB -0.277 62.484 63.200 -0.732 0.000 0.786 356 S HN 0.600 nan 8.310 nan 0.000 0.492 357 Q N -0.391 119.375 119.800 -0.058 0.000 2.230 357 Q HA -0.049 4.278 4.340 -0.021 0.000 0.202 357 Q C 1.587 177.553 176.000 -0.057 0.000 0.963 357 Q CA 0.997 56.753 55.803 -0.079 0.000 0.866 357 Q CB -0.091 28.573 28.738 -0.123 0.000 0.931 357 Q HN 0.628 nan 8.270 nan 0.000 0.452 358 H N -0.229 118.805 119.070 -0.061 0.000 2.470 358 H HA 0.071 4.614 4.556 -0.021 0.000 0.289 358 H C 0.321 175.686 175.328 0.062 0.000 1.033 358 H CA 0.538 56.561 56.048 -0.041 0.000 1.331 358 H CB 0.259 29.961 29.762 -0.099 0.000 1.414 358 H HN 0.048 nan 8.280 nan 0.000 0.545 359 L N 1.680 123.054 121.223 0.251 0.000 2.511 359 L HA 0.043 4.370 4.340 -0.021 0.000 0.239 359 L C 1.026 178.017 176.870 0.202 0.000 1.400 359 L CA 0.119 55.106 54.840 0.245 0.000 1.226 359 L CB 0.003 42.262 42.059 0.333 0.000 1.475 359 L HN 0.190 nan 8.230 nan 0.000 0.428 360 K N -0.506 119.972 120.400 0.130 0.000 2.442 360 K HA -0.056 4.252 4.320 -0.021 0.000 0.198 360 K C 1.461 178.116 176.600 0.092 0.000 1.044 360 K CA 0.776 57.119 56.287 0.093 0.000 0.948 360 K CB 0.148 32.675 32.500 0.044 0.000 0.762 360 K HN 0.375 nan 8.250 nan 0.000 0.472 361 S N 0.294 116.052 115.700 0.097 0.000 2.526 361 S HA 0.087 4.544 4.470 -0.021 0.000 0.220 361 S C 0.077 174.728 174.600 0.084 0.000 1.017 361 S CA -0.533 57.715 58.200 0.080 0.000 0.930 361 S CB 0.225 63.465 63.200 0.067 0.000 0.856 361 S HN 0.114 nan 8.310 nan 0.000 0.497 362 L N 3.247 124.531 121.223 0.100 0.000 2.628 362 L HA 0.017 4.345 4.340 -0.021 0.000 0.274 362 L C 0.873 177.784 176.870 0.068 0.000 1.209 362 L CA 1.095 55.980 54.840 0.074 0.000 0.930 362 L CB 0.151 42.242 42.059 0.052 0.000 1.183 362 L HN 0.149 nan 8.230 nan 0.000 0.492 363 E N 3.510 123.752 120.200 0.070 0.000 2.364 363 E HA 0.030 4.368 4.350 -0.021 0.000 0.203 363 E C -0.899 175.764 176.600 0.105 0.000 0.888 363 E CA 0.060 56.510 56.400 0.083 0.000 0.989 363 E CB 0.619 30.371 29.700 0.086 0.000 0.985 363 E HN 0.592 nan 8.360 nan 0.000 0.499 364 Y N 1.049 121.318 120.300 -0.051 0.000 2.338 364 Y HA 0.476 5.014 4.550 -0.021 0.000 0.333 364 Y C -1.689 174.141 175.900 -0.117 0.000 0.968 364 Y CA -1.318 56.741 58.100 -0.068 0.000 1.123 364 Y CB 1.206 39.639 38.460 -0.045 0.000 1.165 364 Y HN -0.113 nan 8.280 nan 0.000 0.452 365 L N 6.948 127.815 121.223 -0.593 0.000 2.404 365 L HA 0.494 4.821 4.340 -0.021 0.000 0.272 365 L C -1.823 174.671 176.870 -0.626 0.000 0.980 365 L CA -0.339 54.175 54.840 -0.543 0.000 0.836 365 L CB 1.590 43.276 42.059 -0.623 0.000 1.238 365 L HN 0.727 nan 8.230 nan 0.000 0.408 366 D N 5.144 125.270 120.400 -0.457 0.000 2.414 366 D HA 0.342 4.969 4.640 -0.021 0.000 0.232 366 D C -0.626 175.586 176.300 -0.146 0.000 1.070 366 D CA -0.032 53.790 54.000 -0.297 0.000 0.839 366 D CB 1.057 41.763 40.800 -0.156 0.000 1.079 366 D HN 0.636 nan 8.370 nan 0.000 0.521 367 L N 2.765 123.916 121.223 -0.119 0.000 3.141 367 L HA 0.261 4.588 4.340 -0.021 0.000 0.263 367 L C 0.341 177.197 176.870 -0.024 0.000 1.312 367 L CA -0.391 54.412 54.840 -0.061 0.000 1.012 367 L CB 0.474 42.504 42.059 -0.047 0.000 1.408 367 L HN 0.171 nan 8.230 nan 0.000 0.559 368 S N 0.428 116.115 115.700 -0.022 0.000 2.572 368 S HA 0.103 4.560 4.470 -0.021 0.000 0.279 368 S C 0.644 175.246 174.600 0.002 0.000 1.341 368 S CA -0.189 58.009 58.200 -0.003 0.000 1.043 368 S CB 0.527 63.728 63.200 0.001 0.000 0.887 368 S HN 0.511 nan 8.310 nan 0.000 0.516 369 E N 0.209 120.414 120.200 0.008 0.000 2.389 369 E HA -0.235 4.102 4.350 -0.021 0.000 0.243 369 E C -0.398 176.208 176.600 0.010 0.000 1.154 369 E CA 0.405 56.810 56.400 0.008 0.000 0.723 369 E CB -1.676 28.025 29.700 0.001 0.000 1.261 369 E HN 0.625 nan 8.360 nan 0.000 0.390 370 N N -0.699 118.017 118.700 0.027 0.000 3.124 370 N HA 0.497 5.224 4.740 -0.021 0.000 0.350 370 N C -0.365 175.196 175.510 0.085 0.000 1.411 370 N CA -0.888 52.184 53.050 0.037 0.000 0.729 370 N CB 0.479 38.983 38.487 0.028 0.000 1.379 370 N HN -0.105 nan 8.380 nan 0.000 0.599 371 L N 1.162 122.461 121.223 0.127 0.000 2.928 371 L HA 0.383 4.710 4.340 -0.021 0.000 0.246 371 L C -0.695 176.309 176.870 0.224 0.000 1.239 371 L CA 0.166 55.113 54.840 0.179 0.000 1.035 371 L CB -0.580 41.628 42.059 0.248 0.000 1.360 371 L HN 0.506 nan 8.230 nan 0.000 0.529 372 M N 1.223 120.943 119.600 0.201 0.000 2.200 372 M HA 0.361 4.828 4.480 -0.021 0.000 0.355 372 M C 0.261 176.688 176.300 0.213 0.000 1.283 372 M CA 0.012 55.446 55.300 0.223 0.000 1.124 372 M CB 1.072 33.783 32.600 0.186 0.000 1.625 372 M HN 0.029 nan 8.290 nan 0.000 0.463 373 V N 1.166 121.208 119.914 0.212 0.000 3.126 373 V HA 0.526 4.633 4.120 -0.021 0.000 0.314 373 V C 0.809 176.945 176.094 0.071 0.000 1.138 373 V CA -0.772 61.609 62.300 0.136 0.000 1.034 373 V CB 1.481 33.358 31.823 0.091 0.000 1.075 373 V HN 0.767 nan 8.190 nan 0.000 0.442 374 E N 0.780 120.997 120.200 0.028 0.000 2.049 374 E HA -0.202 4.136 4.350 -0.021 0.000 0.198 374 E C 1.757 178.314 176.600 -0.072 0.000 1.007 374 E CA 2.370 58.771 56.400 0.002 0.000 0.809 374 E CB -0.332 29.370 29.700 0.004 0.000 0.749 374 E HN 0.960 nan 8.360 nan 0.000 0.450 375 E N -0.368 119.699 120.200 -0.222 0.000 2.130 375 E HA -0.200 4.137 4.350 -0.021 0.000 0.196 375 E C 1.769 178.215 176.600 -0.256 0.000 0.998 375 E CA 1.395 57.593 56.400 -0.336 0.000 0.806 375 E CB -0.364 28.951 29.700 -0.643 0.000 0.738 375 E HN 0.522 nan 8.360 nan 0.000 0.459 376 Y N -0.608 119.739 120.300 0.078 0.000 2.490 376 Y HA 0.075 4.613 4.550 -0.020 0.000 0.285 376 Y C 1.981 177.941 175.900 0.100 0.000 1.117 376 Y CA -0.355 57.803 58.100 0.097 0.000 1.262 376 Y CB 0.186 38.730 38.460 0.139 0.000 1.043 376 Y HN 0.052 nan 8.280 nan 0.000 0.553 377 L N 1.096 122.435 121.223 0.193 0.000 2.156 377 L HA -0.104 4.223 4.340 -0.021 0.000 0.208 377 L C 2.214 179.146 176.870 0.103 0.000 1.095 377 L CA 1.684 56.630 54.840 0.177 0.000 0.770 377 L CB -0.533 41.621 42.059 0.158 0.000 0.914 377 L HN 0.015 nan 8.230 nan 0.000 0.439 378 K N -0.452 119.984 120.400 0.060 0.000 2.026 378 K HA -0.240 4.067 4.320 -0.021 0.000 0.208 378 K C 2.148 178.751 176.600 0.005 0.000 1.048 378 K CA 1.661 57.957 56.287 0.015 0.000 0.929 378 K CB -0.313 32.184 32.500 -0.005 0.000 0.713 378 K HN 0.488 nan 8.250 nan 0.000 0.439 379 N N 0.056 118.790 118.700 0.057 0.000 2.188 379 N HA -0.095 4.632 4.740 -0.021 0.000 0.184 379 N C 1.485 176.979 175.510 -0.028 0.000 1.018 379 N CA 1.297 54.373 53.050 0.043 0.000 0.858 379 N CB 0.043 38.609 38.487 0.132 0.000 0.989 379 N HN 0.101 nan 8.380 nan 0.000 0.426 380 S N 0.237 115.935 115.700 -0.003 0.000 2.383 380 S HA 0.023 4.480 4.470 -0.021 0.000 0.227 380 S C 1.256 175.522 174.600 -0.555 0.000 1.026 380 S CA 0.953 59.083 58.200 -0.117 0.000 0.981 380 S CB -0.070 63.216 63.200 0.143 0.000 0.818 380 S HN 0.528 nan 8.310 nan 0.000 0.472 381 A N 1.428 124.019 122.820 -0.381 0.000 3.282 381 A HA 0.433 4.741 4.320 -0.021 0.000 0.287 381 A C 0.715 178.149 177.584 -0.250 0.000 1.366 381 A CA -0.765 51.001 52.037 -0.452 0.000 1.069 381 A CB -1.114 17.817 19.000 -0.115 0.000 1.109 381 A HN 0.607 nan 8.150 nan 0.000 0.638 382 c N -0.814 117.631 118.600 -0.258 0.000 2.553 382 c HA 0.448 5.005 4.570 -0.021 0.000 0.345 382 c C 0.562 174.566 174.090 -0.143 0.000 1.369 382 c CA -1.082 55.156 56.329 -0.151 0.000 2.447 382 c CB -0.027 42.408 42.510 -0.125 0.000 2.358 382 c HN 0.659 nan 8.230 nan 0.000 0.676 383 E N 1.397 121.541 120.200 -0.092 0.000 2.558 383 E HA 0.009 4.347 4.350 -0.021 0.000 0.255 383 E C 0.151 176.700 176.600 -0.086 0.000 0.968 383 E CA 1.152 57.509 56.400 -0.072 0.000 0.939 383 E CB 0.030 29.699 29.700 -0.051 0.000 0.921 383 E HN 0.727 nan 8.360 nan 0.000 0.477 384 D N -0.700 119.658 120.400 -0.070 0.000 3.077 384 D HA -0.182 4.445 4.640 -0.021 0.000 0.212 384 D C -0.049 176.191 176.300 -0.099 0.000 1.125 384 D CA 1.279 55.239 54.000 -0.067 0.000 0.970 384 D CB -1.289 39.471 40.800 -0.067 0.000 1.110 384 D HN 0.545 nan 8.370 nan 0.000 0.419 385 A N -0.062 122.652 122.820 -0.177 0.000 2.340 385 A HA 0.355 4.662 4.320 -0.021 0.000 0.268 385 A C 0.602 178.098 177.584 -0.147 0.000 1.100 385 A CA 0.067 51.895 52.037 -0.347 0.000 0.803 385 A CB 0.196 18.771 19.000 -0.707 0.000 1.043 385 A HN 0.239 nan 8.150 nan 0.000 0.488 386 W N 0.657 121.978 121.300 0.035 0.000 7.512 386 W HA -0.152 4.495 4.660 -0.021 0.000 0.420 386 W C -1.627 174.911 176.519 0.032 0.000 1.669 386 W CA 0.172 57.540 57.345 0.038 0.000 1.211 386 W CB -2.288 27.197 29.460 0.042 0.000 2.898 386 W HN 0.745 nan 8.180 nan 0.000 1.644 387 P HA -0.206 nan 4.420 nan 0.000 0.217 387 P C 1.311 178.681 177.300 0.117 0.000 1.148 387 P CA 2.141 65.309 63.100 0.113 0.000 0.828 387 P CB 0.094 31.832 31.700 0.063 0.000 0.783 388 S N -0.981 114.796 115.700 0.129 0.000 2.535 388 S HA 0.101 4.558 4.470 -0.021 0.000 0.214 388 S C 0.830 175.496 174.600 0.110 0.000 0.980 388 S CA -0.490 57.772 58.200 0.104 0.000 0.907 388 S CB -0.612 62.640 63.200 0.087 0.000 0.790 388 S HN 0.035 nan 8.310 nan 0.000 0.510 389 L N 3.568 124.877 121.223 0.143 0.000 2.601 389 L HA -0.045 4.282 4.340 -0.021 0.000 0.277 389 L C 1.251 178.179 176.870 0.097 0.000 1.219 389 L CA 0.870 55.775 54.840 0.109 0.000 0.915 389 L CB 0.401 42.543 42.059 0.138 0.000 1.160 389 L HN 0.270 nan 8.230 nan 0.000 0.494 390 Q N 1.411 121.257 119.800 0.076 0.000 2.353 390 Q HA 0.238 4.565 4.340 -0.021 0.000 0.240 390 Q C -0.233 175.814 176.000 0.078 0.000 0.868 390 Q CA 0.040 55.892 55.803 0.082 0.000 0.944 390 Q CB 0.426 29.211 28.738 0.079 0.000 1.104 390 Q HN 0.604 nan 8.270 nan 0.000 0.531 391 T N 2.032 116.615 114.554 0.048 0.000 2.840 391 T HA 0.536 4.873 4.350 -0.021 0.000 0.287 391 T C -1.668 172.952 174.700 -0.134 0.000 0.991 391 T CA -0.531 61.578 62.100 0.015 0.000 0.964 391 T CB 1.757 70.677 68.868 0.087 0.000 0.954 391 T HN 0.120 nan 8.240 nan 0.000 0.438 392 L N 4.892 126.064 121.223 -0.085 0.000 2.349 392 L HA 0.690 5.018 4.340 -0.021 0.000 0.278 392 L C -1.427 175.385 176.870 -0.097 0.000 0.996 392 L CA -0.624 54.128 54.840 -0.147 0.000 0.825 392 L CB 0.901 42.932 42.059 -0.046 0.000 1.243 392 L HN 0.652 nan 8.230 nan 0.000 0.412 393 I N 6.623 127.087 120.570 -0.177 0.000 2.355 393 I HA 0.316 4.473 4.170 -0.021 0.000 0.288 393 I C -0.201 175.885 176.117 -0.053 0.000 0.999 393 I CA -0.198 61.049 61.300 -0.088 0.000 1.163 393 I CB 1.355 39.282 38.000 -0.121 0.000 1.316 393 I HN 0.562 nan 8.210 nan 0.000 0.454 394 L N 6.785 128.016 121.223 0.013 0.000 3.193 394 L HA 0.345 4.673 4.340 -0.021 0.000 0.305 394 L C 1.624 178.522 176.870 0.047 0.000 1.299 394 L CA -0.152 54.711 54.840 0.039 0.000 0.904 394 L CB 0.187 42.297 42.059 0.085 0.000 1.331 394 L HN 0.609 nan 8.230 nan 0.000 0.588 395 R N 1.015 121.533 120.500 0.030 0.000 2.196 395 R HA -0.200 4.127 4.340 -0.021 0.000 0.227 395 R C 1.066 177.370 176.300 0.006 0.000 1.108 395 R CA 1.858 57.972 56.100 0.024 0.000 0.884 395 R CB 0.024 30.334 30.300 0.017 0.000 0.839 395 R HN 0.334 nan 8.270 nan 0.000 0.431 396 Q N 0.891 120.692 119.800 0.002 0.000 2.771 396 Q HA 0.169 4.496 4.340 -0.021 0.000 0.239 396 Q C -1.311 174.693 176.000 0.007 0.000 1.231 396 Q CA -0.379 55.418 55.803 -0.010 0.000 1.056 396 Q CB 0.647 29.380 28.738 -0.008 0.000 1.284 396 Q HN 0.368 nan 8.270 nan 0.000 0.558 397 N N -0.684 118.018 118.700 0.004 0.000 3.223 397 N HA 0.260 4.988 4.740 -0.021 0.000 0.350 397 N C -0.796 174.743 175.510 0.049 0.000 1.425 397 N CA -0.587 52.495 53.050 0.054 0.000 0.668 397 N CB 0.567 39.101 38.487 0.078 0.000 1.435 397 N HN 0.272 nan 8.380 nan 0.000 0.569 398 H N -0.396 118.667 119.070 -0.011 0.000 2.587 398 H HA 0.465 5.009 4.556 -0.020 0.000 0.245 398 H C -1.019 174.277 175.328 -0.054 0.000 1.238 398 H CA -0.221 55.809 56.048 -0.029 0.000 0.963 398 H CB -0.243 29.532 29.762 0.022 0.000 1.904 398 H HN 0.152 nan 8.280 nan 0.000 0.584 399 L N 0.192 121.351 121.223 -0.107 0.000 2.371 399 L HA 0.381 4.709 4.340 -0.021 0.000 0.272 399 L C 0.940 177.632 176.870 -0.297 0.000 1.124 399 L CA 0.182 54.960 54.840 -0.104 0.000 0.816 399 L CB 1.435 43.487 42.059 -0.012 0.000 1.129 399 L HN 0.372 nan 8.230 nan 0.000 0.448 400 A N 1.296 124.090 122.820 -0.044 0.000 2.140 400 A HA 0.124 4.431 4.320 -0.021 0.000 0.199 400 A C 0.751 178.513 177.584 0.296 0.000 1.416 400 A CA 0.115 52.159 52.037 0.012 0.000 1.018 400 A CB 0.513 19.541 19.000 0.046 0.000 1.117 400 A HN 0.548 nan 8.150 nan 0.000 0.480 401 S N 0.205 116.107 115.700 0.337 0.000 2.474 401 S HA 0.532 4.989 4.470 -0.021 0.000 0.321 401 S C 0.847 175.580 174.600 0.223 0.000 1.080 401 S CA -0.629 57.739 58.200 0.281 0.000 1.106 401 S CB 0.487 63.760 63.200 0.121 0.000 0.984 401 S HN 0.338 nan 8.310 nan 0.000 0.464 402 L N 3.876 125.119 121.223 0.034 0.000 2.017 402 L HA -0.081 4.246 4.340 -0.021 0.000 0.208 402 L C 2.620 179.360 176.870 -0.216 0.000 1.073 402 L CA 1.994 56.648 54.840 -0.309 0.000 0.745 402 L CB -0.392 41.483 42.059 -0.306 0.000 0.894 402 L HN 0.873 nan 8.230 nan 0.000 0.432 403 E N 0.303 120.426 120.200 -0.129 0.000 2.049 403 E HA -0.285 4.052 4.350 -0.021 0.000 0.198 403 E C 2.147 178.615 176.600 -0.219 0.000 1.007 403 E CA 1.631 57.925 56.400 -0.176 0.000 0.809 403 E CB 0.056 29.706 29.700 -0.083 0.000 0.749 403 E HN 0.348 nan 8.360 nan 0.000 0.450 404 K N -0.481 119.847 120.400 -0.119 0.000 2.097 404 K HA -0.064 4.243 4.320 -0.021 0.000 0.205 404 K C 2.260 178.785 176.600 -0.126 0.000 1.050 404 K CA 1.520 57.746 56.287 -0.102 0.000 0.938 404 K CB -0.047 32.431 32.500 -0.035 0.000 0.718 404 K HN 0.164 nan 8.250 nan 0.000 0.442 405 T N 0.305 114.793 114.554 -0.111 0.000 2.746 405 T HA -0.117 4.221 4.350 -0.021 0.000 0.267 405 T C 1.898 176.415 174.700 -0.305 0.000 1.039 405 T CA 1.548 63.594 62.100 -0.091 0.000 1.142 405 T CB -0.445 68.450 68.868 0.044 0.000 0.866 405 T HN 0.461 nan 8.240 nan 0.000 0.444 406 G N 0.845 109.229 108.800 -0.693 0.000 2.418 406 G HA2 -0.221 3.727 3.960 -0.021 0.000 0.217 406 G HA3 -0.221 3.727 3.960 -0.021 0.000 0.217 406 G C 1.379 175.902 174.900 -0.629 0.000 1.158 406 G CA 0.976 45.337 45.100 -1.233 0.000 0.771 406 G HN 0.584 nan 8.290 nan 0.000 0.545 407 E N -0.122 119.820 120.200 -0.430 0.000 2.153 407 E HA -0.117 4.221 4.350 -0.021 0.000 0.194 407 E C 2.406 178.916 176.600 -0.150 0.000 0.988 407 E CA 1.358 57.612 56.400 -0.243 0.000 0.811 407 E CB -0.139 29.453 29.700 -0.179 0.000 0.746 407 E HN 0.348 nan 8.360 nan 0.000 0.466 408 T N 1.142 115.618 114.554 -0.131 0.000 2.788 408 T HA -0.091 4.246 4.350 -0.021 0.000 0.268 408 T C 1.619 176.303 174.700 -0.027 0.000 1.044 408 T CA 0.941 63.004 62.100 -0.060 0.000 1.139 408 T CB -0.053 68.800 68.868 -0.026 0.000 0.867 408 T HN 0.201 nan 8.240 nan 0.000 0.454 409 L N 0.708 121.913 121.223 -0.030 0.000 2.599 409 L HA 0.192 4.520 4.340 -0.021 0.000 0.230 409 L C 1.883 178.779 176.870 0.044 0.000 1.141 409 L CA 0.169 55.036 54.840 0.046 0.000 0.877 409 L CB -0.568 41.548 42.059 0.095 0.000 1.009 409 L HN 0.253 nan 8.230 nan 0.000 0.447 410 L N 0.026 121.246 121.223 -0.005 0.000 2.349 410 L HA -0.170 4.158 4.340 -0.021 0.000 0.220 410 L C 2.577 179.459 176.870 0.020 0.000 1.130 410 L CA 1.575 56.420 54.840 0.008 0.000 0.791 410 L CB -0.989 41.056 42.059 -0.023 0.000 0.918 410 L HN 0.464 nan 8.230 nan 0.000 0.444 411 T N -2.927 111.636 114.554 0.015 0.000 3.088 411 T HA 0.055 4.392 4.350 -0.021 0.000 0.259 411 T C 0.896 175.618 174.700 0.037 0.000 1.122 411 T CA 0.177 62.282 62.100 0.008 0.000 1.095 411 T CB -0.243 68.610 68.868 -0.025 0.000 0.930 411 T HN 0.191 nan 8.240 nan 0.000 0.508 412 L N 1.940 123.209 121.223 0.077 0.000 2.449 412 L HA 0.375 4.702 4.340 -0.021 0.000 0.255 412 L C 1.151 178.082 176.870 0.103 0.000 1.167 412 L CA -0.879 54.033 54.840 0.119 0.000 1.090 412 L CB 0.470 42.643 42.059 0.190 0.000 1.385 412 L HN -0.064 nan 8.230 nan 0.000 0.411 413 K N 0.624 121.071 120.400 0.078 0.000 2.218 413 K HA -0.184 4.124 4.320 -0.021 0.000 0.205 413 K C 1.088 177.733 176.600 0.075 0.000 1.046 413 K CA 1.124 57.452 56.287 0.068 0.000 0.933 413 K CB -0.077 32.453 32.500 0.051 0.000 0.728 413 K HN 0.361 nan 8.250 nan 0.000 0.454 414 N N 0.402 119.153 118.700 0.085 0.000 2.238 414 N HA 0.027 4.755 4.740 -0.021 0.000 0.222 414 N C -0.829 174.737 175.510 0.093 0.000 1.133 414 N CA -0.222 52.877 53.050 0.082 0.000 0.854 414 N CB 0.132 38.663 38.487 0.074 0.000 1.041 414 N HN -0.033 nan 8.380 nan 0.000 0.510 415 L N 1.065 122.353 121.223 0.109 0.000 2.410 415 L HA 0.232 4.559 4.340 -0.021 0.000 0.273 415 L C 1.261 178.201 176.870 0.116 0.000 1.144 415 L CA 0.767 55.679 54.840 0.120 0.000 0.863 415 L CB 0.732 42.878 42.059 0.145 0.000 1.140 415 L HN 0.255 nan 8.230 nan 0.000 0.463 416 T N -0.192 114.428 114.554 0.111 0.000 2.986 416 T HA 0.318 4.656 4.350 -0.021 0.000 0.264 416 T C 0.343 175.125 174.700 0.136 0.000 0.964 416 T CA -0.206 61.959 62.100 0.108 0.000 0.895 416 T CB -0.381 68.540 68.868 0.090 0.000 1.163 416 T HN 0.578 nan 8.240 nan 0.000 0.517 417 N N 0.783 119.579 118.700 0.159 0.000 2.448 417 N HA 0.633 5.361 4.740 -0.021 0.000 0.279 417 N C -1.755 173.884 175.510 0.215 0.000 1.025 417 N CA -0.628 52.580 53.050 0.264 0.000 0.898 417 N CB 2.129 40.764 38.487 0.247 0.000 1.303 417 N HN 0.231 nan 8.380 nan 0.000 0.495 418 I N 1.163 121.824 120.570 0.153 0.000 2.466 418 I HA 0.226 4.383 4.170 -0.021 0.000 0.289 418 I C -1.048 175.053 176.117 -0.027 0.000 1.026 418 I CA -0.612 60.736 61.300 0.081 0.000 1.078 418 I CB 1.862 39.928 38.000 0.109 0.000 1.249 418 I HN 0.421 nan 8.210 nan 0.000 0.429 419 D N 7.935 128.366 120.400 0.052 0.000 2.453 419 D HA 0.390 5.017 4.640 -0.021 0.000 0.238 419 D C 0.028 176.364 176.300 0.060 0.000 1.088 419 D CA -0.367 53.648 54.000 0.026 0.000 0.854 419 D CB 1.045 41.916 40.800 0.120 0.000 1.076 419 D HN 0.526 nan 8.370 nan 0.000 0.533 420 I N 1.094 121.712 120.570 0.080 0.000 3.569 420 I HA 0.267 4.425 4.170 -0.021 0.000 0.334 420 I C 0.354 176.588 176.117 0.195 0.000 1.570 420 I CA -0.735 60.678 61.300 0.189 0.000 1.082 420 I CB 0.111 38.322 38.000 0.351 0.000 1.323 420 I HN 0.113 nan 8.210 nan 0.000 0.489 421 S N 0.913 116.663 115.700 0.084 0.000 2.589 421 S HA 0.278 4.735 4.470 -0.021 0.000 0.265 421 S C 0.675 175.283 174.600 0.014 0.000 1.342 421 S CA -0.236 57.993 58.200 0.050 0.000 1.005 421 S CB 0.794 63.997 63.200 0.005 0.000 0.909 421 S HN 0.562 nan 8.310 nan 0.000 0.555 422 K N -0.340 120.047 120.400 -0.021 0.000 3.129 422 K HA -0.197 4.111 4.320 -0.021 0.000 0.273 422 K C -1.048 175.475 176.600 -0.128 0.000 1.123 422 K CA 0.957 57.205 56.287 -0.065 0.000 0.800 422 K CB -2.113 30.361 32.500 -0.044 0.000 1.238 422 K HN 0.764 nan 8.250 nan 0.000 0.492 423 N N -0.512 118.066 118.700 -0.203 0.000 2.269 423 N HA 0.231 4.958 4.740 -0.021 0.000 0.304 423 N C -0.955 174.195 175.510 -0.601 0.000 1.072 423 N CA -0.662 52.118 53.050 -0.450 0.000 0.802 423 N CB 1.845 39.937 38.487 -0.659 0.000 1.348 423 N HN -0.071 nan 8.380 nan 0.000 0.484 424 S N 1.998 117.356 115.700 -0.570 0.000 3.919 424 S HA 0.242 4.699 4.470 -0.021 0.000 0.245 424 S C -0.741 173.564 174.600 -0.492 0.000 1.344 424 S CA -0.261 57.635 58.200 -0.506 0.000 0.896 424 S CB -0.920 62.087 63.200 -0.322 0.000 1.557 424 S HN 0.326 nan 8.310 nan 0.000 0.468 425 F N 0.801 120.639 119.950 -0.187 0.000 2.385 425 F HA 0.352 4.866 4.527 -0.021 0.000 0.336 425 F C 1.312 177.008 175.800 -0.174 0.000 1.100 425 F CA -0.664 57.298 58.000 -0.063 0.000 1.116 425 F CB 0.911 39.904 39.000 -0.012 0.000 1.166 425 F HN 0.431 nan 8.300 nan 0.000 0.511 426 H N -0.598 118.588 119.070 0.194 0.000 2.729 426 H HA 0.194 4.737 4.556 -0.021 0.000 0.263 426 H C 0.318 175.739 175.328 0.155 0.000 0.961 426 H CA 0.589 56.721 56.048 0.139 0.000 1.217 426 H CB 0.591 30.424 29.762 0.118 0.000 1.447 426 H HN 0.549 nan 8.280 nan 0.000 0.496 427 S N 0.021 115.872 115.700 0.251 0.000 2.790 427 S HA 0.630 5.087 4.470 -0.021 0.000 0.292 427 S C -1.032 173.642 174.600 0.123 0.000 1.197 427 S CA -1.050 57.254 58.200 0.172 0.000 0.851 427 S CB 2.156 65.450 63.200 0.156 0.000 1.217 427 S HN 0.206 nan 8.310 nan 0.000 0.526 428 M N -0.541 119.108 119.600 0.082 0.000 2.413 428 M HA 0.650 5.117 4.480 -0.021 0.000 0.287 428 M C -3.176 173.150 176.300 0.043 0.000 1.186 428 M CA -1.551 53.781 55.300 0.053 0.000 0.927 428 M CB 1.854 34.476 32.600 0.037 0.000 1.715 428 M HN 0.519 nan 8.290 nan 0.000 0.478 429 P HA 0.192 nan 4.420 nan 0.000 0.275 429 P C -0.151 177.162 177.300 0.021 0.000 1.270 429 P CA -0.003 63.112 63.100 0.024 0.000 0.791 429 P CB 0.660 32.369 31.700 0.015 0.000 1.089 430 E N -0.705 119.503 120.200 0.013 0.000 2.150 430 E HA -0.034 4.303 4.350 -0.021 0.000 0.193 430 E C 0.888 177.497 176.600 0.015 0.000 0.985 430 E CA 1.264 57.668 56.400 0.008 0.000 0.814 430 E CB -0.444 29.257 29.700 0.002 0.000 0.752 430 E HN 0.676 nan 8.360 nan 0.000 0.466 431 T N -2.314 112.253 114.554 0.021 0.000 2.900 431 T HA 0.647 4.985 4.350 -0.021 0.000 0.295 431 T C -0.192 174.531 174.700 0.038 0.000 1.044 431 T CA -0.950 61.169 62.100 0.033 0.000 0.995 431 T CB 1.837 70.717 68.868 0.020 0.000 1.072 431 T HN -0.034 nan 8.240 nan 0.000 0.473 432 c N 0.968 119.612 118.600 0.073 0.000 3.171 432 c HA 0.665 5.223 4.570 -0.021 0.000 0.308 432 c C -0.831 173.272 174.090 0.022 0.000 1.334 432 c CA -0.884 55.463 56.329 0.030 0.000 1.473 432 c CB 2.197 44.784 42.510 0.128 0.000 1.866 432 c HN 1.010 nan 8.230 nan 0.000 0.465 433 Q N 0.028 119.728 119.800 -0.167 0.000 2.322 433 Q HA 0.518 4.845 4.340 -0.021 0.000 0.265 433 Q C -1.732 174.073 176.000 -0.324 0.000 0.985 433 Q CA -0.066 55.663 55.803 -0.123 0.000 0.849 433 Q CB 1.859 30.525 28.738 -0.120 0.000 1.274 433 Q HN 0.665 nan 8.270 nan 0.000 0.449 434 W N 2.066 123.360 121.300 -0.009 0.000 3.031 434 W HA 0.414 5.062 4.660 -0.020 0.000 0.337 434 W C -2.203 174.321 176.519 0.008 0.000 1.187 434 W CA -1.882 55.460 57.345 -0.005 0.000 1.166 434 W CB 0.601 30.053 29.460 -0.014 0.000 1.437 434 W HN 0.462 nan 8.180 nan 0.000 0.551 435 P HA -0.089 nan 4.420 nan 0.000 0.264 435 P C 0.851 178.247 177.300 0.159 0.000 1.183 435 P CA 0.403 63.610 63.100 0.178 0.000 0.763 435 P CB 0.748 32.556 31.700 0.180 0.000 0.807 436 E N 2.988 123.253 120.200 0.110 0.000 2.086 436 E HA -0.262 4.075 4.350 -0.021 0.000 0.200 436 E C 0.299 176.946 176.600 0.080 0.000 1.012 436 E CA 1.454 57.907 56.400 0.088 0.000 0.812 436 E CB 0.027 29.766 29.700 0.065 0.000 0.743 436 E HN 0.411 nan 8.360 nan 0.000 0.453 437 K N 0.271 120.719 120.400 0.079 0.000 2.708 437 K HA 0.088 4.395 4.320 -0.021 0.000 0.219 437 K C -0.122 176.520 176.600 0.070 0.000 1.068 437 K CA -0.509 55.819 56.287 0.068 0.000 1.212 437 K CB 0.040 32.578 32.500 0.064 0.000 0.978 437 K HN 0.084 nan 8.250 nan 0.000 0.475 438 M N 1.693 121.337 119.600 0.072 0.000 2.327 438 M HA -0.057 4.411 4.480 -0.021 0.000 0.353 438 M C 0.714 177.030 176.300 0.027 0.000 1.539 438 M CA 0.912 56.241 55.300 0.048 0.000 1.039 438 M CB 0.296 32.900 32.600 0.006 0.000 1.967 438 M HN 0.023 nan 8.290 nan 0.000 0.459 439 K N 3.128 123.562 120.400 0.056 0.000 2.474 439 K HA 0.117 4.424 4.320 -0.021 0.000 0.202 439 K C -0.929 175.746 176.600 0.126 0.000 1.248 439 K CA 0.062 56.394 56.287 0.074 0.000 0.946 439 K CB 0.887 33.439 32.500 0.086 0.000 1.102 439 K HN 0.656 nan 8.250 nan 0.000 0.541 440 Y N 1.046 121.332 120.300 -0.023 0.000 2.346 440 Y HA 0.496 5.033 4.550 -0.021 0.000 0.332 440 Y C -1.919 173.945 175.900 -0.060 0.000 0.985 440 Y CA -1.473 56.612 58.100 -0.025 0.000 1.112 440 Y CB 1.355 39.815 38.460 0.000 0.000 1.170 440 Y HN -0.173 nan 8.280 nan 0.000 0.447 441 L N 7.170 128.045 121.223 -0.580 0.000 2.406 441 L HA 0.535 4.862 4.340 -0.021 0.000 0.272 441 L C -1.855 174.618 176.870 -0.662 0.000 0.980 441 L CA -0.434 54.044 54.840 -0.604 0.000 0.831 441 L CB 1.586 43.349 42.059 -0.494 0.000 1.253 441 L HN 0.780 nan 8.230 nan 0.000 0.406 442 N N 5.579 123.902 118.700 -0.629 0.000 2.469 442 N HA 0.366 5.093 4.740 -0.021 0.000 0.253 442 N C -0.660 174.749 175.510 -0.168 0.000 0.970 442 N CA -0.218 52.599 53.050 -0.387 0.000 0.940 442 N CB 0.991 39.293 38.487 -0.309 0.000 1.128 442 N HN 0.787 nan 8.380 nan 0.000 0.503 443 L N 1.516 122.669 121.223 -0.116 0.000 3.141 443 L HA 0.226 4.553 4.340 -0.021 0.000 0.267 443 L C 0.862 177.730 176.870 -0.003 0.000 1.281 443 L CA -0.254 54.570 54.840 -0.027 0.000 1.037 443 L CB 0.190 42.219 42.059 -0.050 0.000 1.407 443 L HN 0.356 nan 8.230 nan 0.000 0.566 444 S N -0.275 115.409 115.700 -0.027 0.000 2.579 444 S HA 0.113 4.570 4.470 -0.021 0.000 0.275 444 S C 0.974 175.563 174.600 -0.019 0.000 1.345 444 S CA -0.025 58.157 58.200 -0.031 0.000 1.031 444 S CB 0.531 63.701 63.200 -0.050 0.000 0.892 444 S HN 0.438 nan 8.310 nan 0.000 0.529 445 S N 2.763 118.442 115.700 -0.034 0.000 3.447 445 S HA -0.127 4.330 4.470 -0.021 0.000 0.371 445 S C 0.666 175.236 174.600 -0.051 0.000 0.951 445 S CA 0.979 59.151 58.200 -0.047 0.000 1.269 445 S CB -1.759 61.413 63.200 -0.046 0.000 0.919 445 S HN 0.827 nan 8.310 nan 0.000 0.516 446 T N 0.293 114.825 114.554 -0.037 0.000 3.010 446 T HA 0.219 4.557 4.350 -0.021 0.000 0.257 446 T C 0.905 175.543 174.700 -0.103 0.000 1.020 446 T CA -0.016 62.081 62.100 -0.005 0.000 0.938 446 T CB 0.051 69.007 68.868 0.146 0.000 1.049 446 T HN 0.610 nan 8.240 nan 0.000 0.522 447 R N 1.089 121.503 120.500 -0.145 0.000 3.878 447 R HA -0.128 4.199 4.340 -0.021 0.000 0.330 447 R C -0.016 176.134 176.300 -0.249 0.000 1.186 447 R CA 0.503 56.466 56.100 -0.228 0.000 0.885 447 R CB -2.443 27.655 30.300 -0.337 0.000 1.377 447 R HN 0.563 nan 8.270 nan 0.000 0.523 448 I N -2.432 118.049 120.570 -0.148 0.000 2.581 448 I HA 0.162 4.320 4.170 -0.021 0.000 0.288 448 I C 1.483 177.490 176.117 -0.183 0.000 1.047 448 I CA -0.405 60.843 61.300 -0.086 0.000 1.374 448 I CB 0.805 38.813 38.000 0.013 0.000 1.423 448 I HN 0.006 nan 8.210 nan 0.000 0.549 449 H N 3.101 122.206 119.070 0.059 0.000 2.553 449 H HA 0.169 4.712 4.556 -0.021 0.000 0.276 449 H C 0.626 175.980 175.328 0.044 0.000 0.979 449 H CA 0.758 56.836 56.048 0.050 0.000 1.268 449 H CB 0.617 30.410 29.762 0.052 0.000 1.450 449 H HN 0.848 nan 8.280 nan 0.000 0.527 450 S N 0.105 115.887 115.700 0.136 0.000 2.638 450 S HA 0.522 4.980 4.470 -0.021 0.000 0.274 450 S C -0.640 173.987 174.600 0.045 0.000 1.157 450 S CA -0.725 57.524 58.200 0.081 0.000 0.826 450 S CB 2.172 65.409 63.200 0.063 0.000 1.139 450 S HN -0.000 nan 8.310 nan 0.000 0.474 451 V N -0.311 119.599 119.914 -0.007 0.000 2.680 451 V HA 0.965 5.072 4.120 -0.021 0.000 0.309 451 V C 0.038 176.064 176.094 -0.114 0.000 1.052 451 V CA 0.048 62.314 62.300 -0.057 0.000 0.908 451 V CB 0.699 32.464 31.823 -0.096 0.000 1.001 451 V HN 1.413 nan 8.190 nan 0.000 0.431 452 T N 0.027 114.530 114.554 -0.085 0.000 2.693 452 T HA 0.619 4.957 4.350 -0.021 0.000 0.278 452 T C 1.191 175.846 174.700 -0.075 0.000 0.994 452 T CA -0.017 62.036 62.100 -0.078 0.000 1.033 452 T CB 1.189 70.039 68.868 -0.029 0.000 1.342 452 T HN 1.244 nan 8.240 nan 0.000 0.538 453 G N -0.635 108.136 108.800 -0.049 0.000 2.586 453 G HA2 -0.146 3.801 3.960 -0.021 0.000 0.215 453 G HA3 -0.146 3.801 3.960 -0.021 0.000 0.215 453 G C 1.682 176.588 174.900 0.010 0.000 1.128 453 G CA 0.754 45.836 45.100 -0.030 0.000 0.774 453 G HN 0.915 nan 8.290 nan 0.000 0.543 454 c N 0.436 119.054 118.600 0.030 0.000 2.413 454 c HA 0.093 4.650 4.570 -0.021 0.000 0.277 454 c C 1.456 175.609 174.090 0.105 0.000 1.265 454 c CA -0.641 55.759 56.329 0.119 0.000 1.752 454 c CB -0.820 41.764 42.510 0.123 0.000 1.998 454 c HN 0.289 nan 8.230 nan 0.000 0.489 455 I N 3.623 124.169 120.570 -0.040 0.000 2.741 455 I HA 0.134 4.291 4.170 -0.021 0.000 0.288 455 I C -1.729 174.290 176.117 -0.164 0.000 1.192 455 I CA -1.840 59.351 61.300 -0.181 0.000 1.426 455 I CB -0.481 37.437 38.000 -0.136 0.000 1.367 455 I HN 0.315 nan 8.210 nan 0.000 0.563 456 P HA 0.115 nan 4.420 nan 0.000 0.276 456 P C 0.389 177.638 177.300 -0.086 0.000 1.230 456 P CA -0.501 62.514 63.100 -0.142 0.000 0.776 456 P CB 0.628 32.211 31.700 -0.194 0.000 0.888 457 K N 1.571 121.953 120.400 -0.030 0.000 2.211 457 K HA -0.120 4.187 4.320 -0.021 0.000 0.204 457 K C 1.266 177.862 176.600 -0.006 0.000 1.047 457 K CA 1.904 58.183 56.287 -0.014 0.000 0.935 457 K CB -1.237 31.264 32.500 0.001 0.000 0.728 457 K HN 0.433 nan 8.250 nan 0.000 0.452 458 T N -0.756 113.794 114.554 -0.005 0.000 3.160 458 T HA 0.066 4.404 4.350 -0.021 0.000 0.257 458 T C 0.620 175.321 174.700 0.002 0.000 1.147 458 T CA -0.344 61.760 62.100 0.006 0.000 1.064 458 T CB -0.221 68.658 68.868 0.018 0.000 0.949 458 T HN 0.005 nan 8.240 nan 0.000 0.526 459 L N 1.944 123.154 121.223 -0.022 0.000 2.525 459 L HA 0.207 4.535 4.340 -0.021 0.000 0.278 459 L C 1.359 178.240 176.870 0.018 0.000 1.218 459 L CA 0.638 55.467 54.840 -0.019 0.000 0.878 459 L CB 0.510 42.536 42.059 -0.056 0.000 1.127 459 L HN 0.304 nan 8.230 nan 0.000 0.492 460 E N 2.834 123.060 120.200 0.043 0.000 2.364 460 E HA 0.290 4.627 4.350 -0.021 0.000 0.203 460 E C -0.289 176.362 176.600 0.084 0.000 0.888 460 E CA 0.168 56.604 56.400 0.060 0.000 0.989 460 E CB 0.510 30.250 29.700 0.067 0.000 0.985 460 E HN 0.553 nan 8.360 nan 0.000 0.499 461 I N 2.050 122.694 120.570 0.125 0.000 2.499 461 I HA 0.307 4.464 4.170 -0.021 0.000 0.288 461 I C -1.465 174.728 176.117 0.127 0.000 1.048 461 I CA -1.024 60.392 61.300 0.193 0.000 1.062 461 I CB 2.176 40.391 38.000 0.359 0.000 1.238 461 I HN 0.009 nan 8.210 nan 0.000 0.426 462 L N 6.386 127.667 121.223 0.097 0.000 2.410 462 L HA 0.634 4.961 4.340 -0.021 0.000 0.270 462 L C -1.406 175.510 176.870 0.076 0.000 0.983 462 L CA 0.010 54.855 54.840 0.008 0.000 0.822 462 L CB 1.892 43.951 42.059 0.000 0.000 1.285 462 L HN 0.452 nan 8.230 nan 0.000 0.409 463 D N 3.637 124.032 120.400 -0.009 0.000 2.471 463 D HA 0.399 5.027 4.640 -0.021 0.000 0.245 463 D C -0.299 175.981 176.300 -0.033 0.000 1.116 463 D CA -0.122 53.893 54.000 0.025 0.000 0.853 463 D CB 1.837 42.606 40.800 -0.052 0.000 1.123 463 D HN 0.413 nan 8.370 nan 0.000 0.540 464 V N 1.040 120.941 119.914 -0.021 0.000 2.909 464 V HA 0.390 4.497 4.120 -0.021 0.000 0.362 464 V C 0.482 176.561 176.094 -0.026 0.000 1.356 464 V CA -0.609 61.681 62.300 -0.017 0.000 1.195 464 V CB -0.060 31.780 31.823 0.028 0.000 1.256 464 V HN 0.269 nan 8.190 nan 0.000 0.567 465 S N 1.896 117.576 115.700 -0.033 0.000 2.589 465 S HA 0.282 4.740 4.470 -0.021 0.000 0.265 465 S C 0.845 175.420 174.600 -0.041 0.000 1.342 465 S CA 0.129 58.304 58.200 -0.042 0.000 1.005 465 S CB -0.005 63.164 63.200 -0.052 0.000 0.909 465 S HN 0.798 nan 8.310 nan 0.000 0.555 466 N N 1.645 120.320 118.700 -0.041 0.000 2.738 466 N HA -0.155 4.573 4.740 -0.021 0.000 0.249 466 N C -0.784 174.697 175.510 -0.049 0.000 1.047 466 N CA 0.562 53.588 53.050 -0.041 0.000 0.707 466 N CB -1.144 37.319 38.487 -0.041 0.000 0.937 466 N HN 0.537 nan 8.380 nan 0.000 0.545 467 N N 0.102 118.772 118.700 -0.049 0.000 3.379 467 N HA 0.296 5.023 4.740 -0.021 0.000 0.350 467 N C 0.050 175.514 175.510 -0.078 0.000 1.553 467 N CA -0.518 52.487 53.050 -0.074 0.000 0.712 467 N CB 0.288 38.740 38.487 -0.058 0.000 1.880 467 N HN 0.129 nan 8.380 nan 0.000 0.648 468 N N -0.023 118.601 118.700 -0.128 0.000 2.389 468 N HA 0.304 5.032 4.740 -0.021 0.000 0.260 468 N C -0.620 174.901 175.510 0.019 0.000 1.191 468 N CA -0.091 52.912 53.050 -0.078 0.000 0.885 468 N CB 0.566 38.919 38.487 -0.222 0.000 1.162 468 N HN 0.194 nan 8.380 nan 0.000 0.512 469 L N 0.551 121.787 121.223 0.023 0.000 2.410 469 L HA 0.098 4.425 4.340 -0.021 0.000 0.273 469 L C 1.239 178.151 176.870 0.070 0.000 1.152 469 L CA 0.205 55.086 54.840 0.069 0.000 0.855 469 L CB 0.621 42.736 42.059 0.094 0.000 1.129 469 L HN 0.364 nan 8.230 nan 0.000 0.463 470 N N 2.460 121.209 118.700 0.080 0.000 2.439 470 N HA 0.246 4.973 4.740 -0.021 0.000 0.176 470 N C -0.134 175.414 175.510 0.063 0.000 1.029 470 N CA 0.090 53.177 53.050 0.061 0.000 0.886 470 N CB 0.576 39.097 38.487 0.057 0.000 1.057 470 N HN 0.423 nan 8.380 nan 0.000 0.437 471 L N -0.781 120.491 121.223 0.082 0.000 2.341 471 L HA 0.501 4.828 4.340 -0.021 0.000 0.254 471 L C -1.656 175.316 176.870 0.170 0.000 1.040 471 L CA -0.977 53.921 54.840 0.096 0.000 0.837 471 L CB 2.202 44.291 42.059 0.050 0.000 1.425 471 L HN -0.113 nan 8.230 nan 0.000 0.414 472 F N 0.730 120.679 119.950 -0.001 0.000 2.915 472 F HA 0.429 4.943 4.527 -0.021 0.000 0.350 472 F C -0.598 175.199 175.800 -0.005 0.000 1.248 472 F CA -0.138 57.860 58.000 -0.004 0.000 1.084 472 F CB 1.742 40.739 39.000 -0.006 0.000 1.391 472 F HN 0.249 nan 8.300 nan 0.000 0.548 473 S N 7.043 122.548 115.700 -0.325 0.000 2.216 473 S HA 0.601 5.059 4.470 -0.021 0.000 0.156 473 S C -1.803 172.611 174.600 -0.311 0.000 1.665 473 S CA -0.328 57.757 58.200 -0.191 0.000 1.262 473 S CB -0.109 63.035 63.200 -0.094 0.000 1.207 473 S HN 0.467 nan 8.310 nan 0.000 0.427 474 L N 3.529 124.505 121.223 -0.411 0.000 2.346 474 L HA 0.519 4.847 4.340 -0.021 0.000 0.276 474 L C 0.416 177.230 176.870 -0.093 0.000 1.006 474 L CA -0.273 54.379 54.840 -0.313 0.000 0.817 474 L CB 1.671 43.430 42.059 -0.500 0.000 1.272 474 L HN 0.607 nan 8.230 nan 0.000 0.421 475 N N 4.743 123.403 118.700 -0.067 0.000 2.508 475 N HA 0.242 4.969 4.740 -0.021 0.000 0.253 475 N C -1.236 174.272 175.510 -0.003 0.000 1.145 475 N CA -0.224 52.815 53.050 -0.019 0.000 0.973 475 N CB 0.282 38.757 38.487 -0.021 0.000 1.305 475 N HN 0.508 nan 8.380 nan 0.000 0.506 476 L N 6.074 127.314 121.223 0.027 0.000 2.445 476 L HA 0.353 4.680 4.340 -0.021 0.000 0.252 476 L C -1.347 175.545 176.870 0.036 0.000 1.105 476 L CA -1.576 53.284 54.840 0.034 0.000 0.943 476 L CB 1.431 43.529 42.059 0.065 0.000 1.277 476 L HN 0.415 nan 8.230 nan 0.000 0.465 477 P HA -0.220 nan 4.420 nan 0.000 0.218 477 P C 0.532 177.849 177.300 0.028 0.000 1.146 477 P CA 1.443 64.559 63.100 0.025 0.000 0.813 477 P CB 0.311 32.023 31.700 0.019 0.000 0.778 478 Q N -1.538 118.278 119.800 0.027 0.000 2.157 478 Q HA 0.317 4.644 4.340 -0.021 0.000 0.229 478 Q C 0.137 176.156 176.000 0.032 0.000 0.827 478 Q CA -0.628 55.192 55.803 0.029 0.000 1.055 478 Q CB -0.203 28.551 28.738 0.027 0.000 1.157 478 Q HN 0.066 nan 8.270 nan 0.000 0.482 479 L N 2.075 123.319 121.223 0.035 0.000 2.418 479 L HA 0.096 4.424 4.340 -0.021 0.000 0.274 479 L C 0.566 177.453 176.870 0.029 0.000 1.135 479 L CA 0.389 55.250 54.840 0.035 0.000 0.870 479 L CB 0.681 42.765 42.059 0.042 0.000 1.154 479 L HN 0.026 nan 8.230 nan 0.000 0.462 480 K N 3.324 123.742 120.400 0.031 0.000 2.348 480 K HA 0.257 4.565 4.320 -0.021 0.000 0.194 480 K C -0.335 176.267 176.600 0.003 0.000 1.052 480 K CA 0.509 56.812 56.287 0.026 0.000 1.004 480 K CB 0.424 32.947 32.500 0.040 0.000 0.873 480 K HN 0.629 nan 8.250 nan 0.000 0.523 481 E N 0.867 121.062 120.200 -0.009 0.000 2.278 481 E HA 0.301 4.638 4.350 -0.021 0.000 0.272 481 E C -1.613 174.873 176.600 -0.190 0.000 0.890 481 E CA -0.655 55.678 56.400 -0.111 0.000 0.770 481 E CB 2.037 31.739 29.700 0.004 0.000 1.212 481 E HN -0.174 nan 8.360 nan 0.000 0.415 482 L N 3.589 124.583 121.223 -0.382 0.000 2.343 482 L HA 0.445 4.772 4.340 -0.021 0.000 0.278 482 L C -1.977 174.555 176.870 -0.563 0.000 0.996 482 L CA -0.582 54.040 54.840 -0.365 0.000 0.831 482 L CB 0.569 42.436 42.059 -0.320 0.000 1.232 482 L HN 0.447 nan 8.230 nan 0.000 0.413 483 Y N 6.180 126.365 120.300 -0.192 0.000 2.356 483 Y HA 0.534 5.071 4.550 -0.021 0.000 0.334 483 Y C 0.586 176.352 175.900 -0.223 0.000 0.958 483 Y CA -0.368 57.600 58.100 -0.219 0.000 1.196 483 Y CB 1.610 39.952 38.460 -0.198 0.000 1.137 483 Y HN 0.577 nan 8.280 nan 0.000 0.485 484 I N 2.573 123.067 120.570 -0.128 0.000 3.336 484 I HA 0.152 4.309 4.170 -0.021 0.000 0.323 484 I C -0.072 175.988 176.117 -0.095 0.000 1.520 484 I CA -0.007 61.210 61.300 -0.139 0.000 0.959 484 I CB -0.074 37.767 38.000 -0.265 0.000 1.463 484 I HN 0.591 nan 8.210 nan 0.000 0.571 485 S N 0.557 116.207 115.700 -0.084 0.000 2.608 485 S HA 0.403 4.860 4.470 -0.021 0.000 0.261 485 S C 0.757 175.328 174.600 -0.049 0.000 1.314 485 S CA -0.284 57.872 58.200 -0.073 0.000 0.992 485 S CB 0.833 63.972 63.200 -0.100 0.000 0.935 485 S HN 0.526 nan 8.310 nan 0.000 0.564 486 R N 0.503 120.984 120.500 -0.033 0.000 3.333 486 R HA -0.171 4.156 4.340 -0.021 0.000 0.256 486 R C -0.882 175.403 176.300 -0.025 0.000 1.010 486 R CA 0.725 56.811 56.100 -0.022 0.000 0.680 486 R CB -2.463 27.824 30.300 -0.021 0.000 1.102 486 R HN 0.786 nan 8.270 nan 0.000 0.440 487 N N -0.306 118.379 118.700 -0.025 0.000 3.201 487 N HA 0.372 5.099 4.740 -0.021 0.000 0.344 487 N C -0.516 174.986 175.510 -0.013 0.000 1.465 487 N CA -0.895 52.145 53.050 -0.017 0.000 0.731 487 N CB 0.877 39.357 38.487 -0.012 0.000 1.677 487 N HN 0.006 nan 8.380 nan 0.000 0.631 488 K N 0.624 121.023 120.400 -0.000 0.000 3.167 488 K HA 0.337 4.644 4.320 -0.021 0.000 0.208 488 K C -1.069 175.531 176.600 -0.001 0.000 1.159 488 K CA -0.379 55.907 56.287 -0.002 0.000 1.018 488 K CB 0.262 32.771 32.500 0.015 0.000 0.927 488 K HN 0.154 nan 8.250 nan 0.000 0.476 489 L N 1.568 122.785 121.223 -0.009 0.000 2.385 489 L HA 0.138 4.466 4.340 -0.021 0.000 0.281 489 L C 1.270 178.123 176.870 -0.028 0.000 1.106 489 L CA 0.346 55.186 54.840 -0.001 0.000 0.856 489 L CB 0.622 42.684 42.059 0.006 0.000 1.186 489 L HN 0.310 nan 8.230 nan 0.000 0.453 490 M N 1.260 120.851 119.600 -0.014 0.000 2.160 490 M HA -0.006 4.461 4.480 -0.021 0.000 0.264 490 M C 0.903 177.191 176.300 -0.019 0.000 1.073 490 M CA 1.010 56.293 55.300 -0.028 0.000 1.142 490 M CB -0.075 32.518 32.600 -0.012 0.000 1.358 490 M HN 0.719 nan 8.290 nan 0.000 0.422 491 T N -1.242 113.316 114.554 0.008 0.000 2.929 491 T HA 0.539 4.877 4.350 -0.021 0.000 0.284 491 T C -0.281 174.444 174.700 0.042 0.000 1.014 491 T CA -1.016 61.099 62.100 0.024 0.000 1.051 491 T CB 1.145 70.028 68.868 0.024 0.000 1.028 491 T HN 0.109 nan 8.240 nan 0.000 0.485 492 L N 3.234 124.490 121.223 0.055 0.000 2.467 492 L HA 0.376 4.703 4.340 -0.021 0.000 0.270 492 L C -1.960 174.957 176.870 0.078 0.000 1.205 492 L CA -1.409 53.476 54.840 0.074 0.000 0.828 492 L CB -0.047 42.054 42.059 0.070 0.000 1.101 492 L HN 0.559 nan 8.230 nan 0.000 0.479 493 P HA -0.017 nan 4.420 nan 0.000 0.271 493 P C -0.946 176.438 177.300 0.139 0.000 1.220 493 P CA -0.326 62.870 63.100 0.161 0.000 0.768 493 P CB 0.437 32.190 31.700 0.087 0.000 0.848 494 D N 2.742 123.232 120.400 0.150 0.000 2.659 494 D HA -0.048 4.579 4.640 -0.021 0.000 0.264 494 D C 1.372 177.724 176.300 0.086 0.000 1.329 494 D CA 0.382 54.434 54.000 0.087 0.000 0.963 494 D CB 0.369 41.207 40.800 0.062 0.000 1.136 494 D HN 0.345 nan 8.370 nan 0.000 0.554 495 A N 2.989 125.842 122.820 0.054 0.000 2.066 495 A HA -0.139 4.168 4.320 -0.021 0.000 0.218 495 A C 2.133 179.743 177.584 0.044 0.000 1.157 495 A CA 1.241 53.311 52.037 0.055 0.000 0.670 495 A CB -0.185 18.842 19.000 0.046 0.000 0.804 495 A HN 0.573 nan 8.150 nan 0.000 0.453 496 S N -0.581 115.135 115.700 0.027 0.000 2.555 496 S HA 0.088 4.545 4.470 -0.021 0.000 0.230 496 S C 1.256 175.871 174.600 0.026 0.000 0.978 496 S CA 0.940 59.152 58.200 0.019 0.000 0.934 496 S CB -0.383 62.819 63.200 0.004 0.000 0.766 496 S HN 0.452 nan 8.310 nan 0.000 0.533 497 L N 0.155 121.400 121.223 0.037 0.000 2.693 497 L HA 0.445 4.772 4.340 -0.021 0.000 0.235 497 L C 0.264 177.166 176.870 0.054 0.000 1.127 497 L CA 0.112 54.974 54.840 0.037 0.000 0.914 497 L CB 0.198 42.275 42.059 0.031 0.000 1.193 497 L HN 0.281 nan 8.230 nan 0.000 0.502 498 L N 1.120 122.380 121.223 0.061 0.000 2.999 498 L HA 0.232 4.559 4.340 -0.021 0.000 0.263 498 L C -1.264 175.637 176.870 0.052 0.000 1.320 498 L CA -0.954 53.924 54.840 0.063 0.000 0.913 498 L CB 0.225 42.329 42.059 0.076 0.000 1.296 498 L HN -0.095 nan 8.230 nan 0.000 0.546 499 P HA -0.226 nan 4.420 nan 0.000 0.216 499 P C 1.228 178.554 177.300 0.044 0.000 1.157 499 P CA 1.762 64.888 63.100 0.043 0.000 0.880 499 P CB 0.254 31.975 31.700 0.035 0.000 0.791 500 M N -1.526 118.097 119.600 0.039 0.000 2.628 500 M HA 0.067 4.534 4.480 -0.021 0.000 0.232 500 M C 0.585 176.906 176.300 0.036 0.000 1.128 500 M CA -0.454 54.868 55.300 0.037 0.000 1.040 500 M CB -0.475 32.145 32.600 0.033 0.000 1.608 500 M HN -0.134 nan 8.290 nan 0.000 0.507 501 L N 1.562 122.807 121.223 0.037 0.000 2.615 501 L HA -0.055 4.272 4.340 -0.021 0.000 0.271 501 L C 0.694 177.582 176.870 0.029 0.000 1.183 501 L CA 0.837 55.692 54.840 0.026 0.000 0.933 501 L CB 0.201 42.276 42.059 0.027 0.000 1.199 501 L HN 0.325 nan 8.230 nan 0.000 0.487 502 L N 4.703 125.938 121.223 0.021 0.000 2.362 502 L HA 0.226 4.553 4.340 -0.021 0.000 0.204 502 L C 0.148 177.037 176.870 0.030 0.000 1.060 502 L CA 0.079 54.937 54.840 0.030 0.000 0.827 502 L CB -0.039 42.040 42.059 0.034 0.000 1.027 502 L HN 0.318 nan 8.230 nan 0.000 0.474 503 V N 1.296 121.212 119.914 0.005 0.000 2.628 503 V HA 0.476 4.583 4.120 -0.021 0.000 0.306 503 V C -0.994 175.047 176.094 -0.088 0.000 1.045 503 V CA -0.560 61.747 62.300 0.012 0.000 0.905 503 V CB 2.661 34.482 31.823 -0.003 0.000 0.997 503 V HN 0.052 nan 8.190 nan 0.000 0.436 504 L N 4.362 125.592 121.223 0.011 0.000 2.568 504 L HA 0.518 4.845 4.340 -0.021 0.000 0.262 504 L C -0.702 176.226 176.870 0.097 0.000 0.980 504 L CA -0.354 54.452 54.840 -0.056 0.000 0.882 504 L CB 1.424 43.474 42.059 -0.015 0.000 1.198 504 L HN 0.670 nan 8.230 nan 0.000 0.425 505 K N 5.259 125.575 120.400 -0.140 0.000 2.292 505 K HA 0.420 4.727 4.320 -0.021 0.000 0.270 505 K C -0.105 176.445 176.600 -0.084 0.000 1.062 505 K CA -0.375 55.840 56.287 -0.120 0.000 0.916 505 K CB 0.692 32.835 32.500 -0.595 0.000 1.166 505 K HN 0.679 nan 8.250 nan 0.000 0.458 506 I N 3.325 123.921 120.570 0.043 0.000 3.947 506 I HA 0.021 4.178 4.170 -0.021 0.000 0.327 506 I C -0.110 176.019 176.117 0.020 0.000 1.519 506 I CA 0.036 61.344 61.300 0.015 0.000 1.122 506 I CB -0.039 37.999 38.000 0.064 0.000 1.146 506 I HN 0.580 nan 8.210 nan 0.000 0.442 507 S N 1.386 117.079 115.700 -0.013 0.000 2.589 507 S HA 0.276 4.733 4.470 -0.021 0.000 0.265 507 S C 0.679 175.254 174.600 -0.042 0.000 1.342 507 S CA -0.344 57.801 58.200 -0.092 0.000 1.005 507 S CB 0.546 63.479 63.200 -0.444 0.000 0.909 507 S HN 0.404 nan 8.310 nan 0.000 0.555 508 R N 0.773 121.279 120.500 0.009 0.000 3.146 508 R HA -0.174 4.153 4.340 -0.021 0.000 0.250 508 R C -0.763 175.519 176.300 -0.029 0.000 0.912 508 R CA 0.761 56.872 56.100 0.017 0.000 0.633 508 R CB -2.397 27.929 30.300 0.044 0.000 1.180 508 R HN 0.850 nan 8.270 nan 0.000 0.464 509 N N -0.066 118.592 118.700 -0.070 0.000 2.116 509 N HA -0.006 4.721 4.740 -0.021 0.000 0.230 509 N C -0.470 174.973 175.510 -0.112 0.000 1.326 509 N CA -0.192 52.810 53.050 -0.080 0.000 0.867 509 N CB 0.617 39.062 38.487 -0.071 0.000 1.174 509 N HN 0.327 nan 8.380 nan 0.000 0.506 510 Q N 0.571 120.282 119.800 -0.149 0.000 2.487 510 Q HA -0.147 4.180 4.340 -0.021 0.000 0.279 510 Q C -1.485 174.385 176.000 -0.217 0.000 1.228 510 Q CA 0.602 56.310 55.803 -0.157 0.000 0.873 510 Q CB -1.789 26.897 28.738 -0.086 0.000 1.260 510 Q HN 0.433 nan 8.270 nan 0.000 0.471 511 L N 0.459 121.453 121.223 -0.381 0.000 2.264 511 L HA 0.303 4.630 4.340 -0.021 0.000 0.289 511 L C 1.373 177.855 176.870 -0.647 0.000 1.044 511 L CA -0.357 54.199 54.840 -0.474 0.000 0.807 511 L CB 1.023 42.724 42.059 -0.597 0.000 1.192 511 L HN 0.155 nan 8.230 nan 0.000 0.425 512 K N 1.148 121.386 120.400 -0.271 0.000 2.161 512 K HA 0.098 4.405 4.320 -0.021 0.000 0.205 512 K C 0.978 177.689 176.600 0.186 0.000 1.035 512 K CA 0.526 56.759 56.287 -0.091 0.000 0.970 512 K CB 0.378 32.863 32.500 -0.025 0.000 0.866 512 K HN 0.719 nan 8.250 nan 0.000 0.461 513 S N -0.160 115.646 115.700 0.177 0.000 2.667 513 S HA 0.620 5.077 4.470 -0.021 0.000 0.292 513 S C -0.448 174.332 174.600 0.300 0.000 1.108 513 S CA -0.714 57.637 58.200 0.251 0.000 0.992 513 S CB 1.764 65.040 63.200 0.127 0.000 1.269 513 S HN -0.003 nan 8.310 nan 0.000 0.528 514 V N 0.771 120.788 119.914 0.172 0.000 2.963 514 V HA 0.448 4.556 4.120 -0.021 0.000 0.272 514 V C -3.077 173.009 176.094 -0.014 0.000 1.559 514 V CA -1.365 60.986 62.300 0.084 0.000 0.959 514 V CB 1.410 33.283 31.823 0.082 0.000 1.202 514 V HN 0.936 nan 8.190 nan 0.000 0.447 515 P HA 0.274 nan 4.420 nan 0.000 0.268 515 P C -1.282 175.872 177.300 -0.244 0.000 1.208 515 P CA 0.133 63.147 63.100 -0.144 0.000 0.777 515 P CB 0.255 31.859 31.700 -0.161 0.000 0.875 516 D N 0.434 120.651 120.400 -0.305 0.000 2.312 516 D HA 0.411 5.038 4.640 -0.021 0.000 0.252 516 D C 1.297 177.049 176.300 -0.913 0.000 1.150 516 D CA 0.654 54.283 54.000 -0.618 0.000 0.870 516 D CB 0.164 40.763 40.800 -0.334 0.000 1.153 516 D HN 0.608 nan 8.370 nan 0.000 0.457 517 G N 1.928 109.564 108.800 -1.939 0.000 2.162 517 G HA2 -0.357 3.591 3.960 -0.021 0.000 0.260 517 G HA3 -0.357 3.591 3.960 -0.021 0.000 0.260 517 G C 1.097 175.724 174.900 -0.455 0.000 0.976 517 G CA 0.283 44.790 45.100 -0.989 0.000 0.655 517 G HN 0.547 nan 8.290 nan 0.000 0.533 518 I N 0.036 120.301 120.570 -0.509 0.000 2.335 518 I HA 0.085 4.242 4.170 -0.021 0.000 0.251 518 I C 2.121 178.108 176.117 -0.217 0.000 1.129 518 I CA 1.372 62.461 61.300 -0.351 0.000 1.402 518 I CB -0.274 37.444 38.000 -0.471 0.000 1.069 518 I HN 0.334 nan 8.210 nan 0.000 0.424 519 F N -0.121 119.801 119.950 -0.047 0.000 2.811 519 F HA -0.003 4.511 4.527 -0.021 0.000 0.301 519 F C 1.464 177.313 175.800 0.081 0.000 1.151 519 F CA -0.109 57.786 58.000 -0.174 0.000 1.412 519 F CB -0.271 38.180 39.000 -0.915 0.000 1.113 519 F HN 0.102 nan 8.300 nan 0.000 0.579 520 D N -0.527 120.016 120.400 0.238 0.000 2.348 520 D HA -0.028 4.599 4.640 -0.021 0.000 0.211 520 D C 2.182 178.562 176.300 0.134 0.000 0.998 520 D CA 0.306 54.431 54.000 0.208 0.000 0.873 520 D CB 0.123 41.001 40.800 0.130 0.000 0.925 520 D HN -0.013 nan 8.370 nan 0.000 0.524 521 R N 0.240 120.802 120.500 0.102 0.000 2.057 521 R HA 0.044 4.372 4.340 -0.021 0.000 0.229 521 R C 0.397 176.755 176.300 0.097 0.000 1.136 521 R CA 0.485 56.630 56.100 0.074 0.000 0.952 521 R CB -0.716 29.610 30.300 0.045 0.000 0.848 521 R HN 0.173 nan 8.270 nan 0.000 0.430 522 L N 3.312 124.613 121.223 0.131 0.000 2.505 522 L HA 0.071 4.399 4.340 -0.021 0.000 0.279 522 L C 0.953 177.906 176.870 0.139 0.000 1.211 522 L CA 0.728 55.643 54.840 0.125 0.000 1.059 522 L CB -0.718 41.421 42.059 0.133 0.000 1.340 522 L HN 0.123 nan 8.230 nan 0.000 0.447 523 T N -1.425 113.192 114.554 0.105 0.000 3.072 523 T HA -0.091 4.247 4.350 -0.021 0.000 0.266 523 T C 1.557 176.304 174.700 0.079 0.000 1.127 523 T CA 0.967 63.124 62.100 0.096 0.000 1.107 523 T CB 0.331 69.241 68.868 0.071 0.000 0.910 523 T HN 0.481 nan 8.240 nan 0.000 0.513 524 S N 0.155 115.899 115.700 0.072 0.000 2.730 524 S HA 0.316 4.774 4.470 -0.021 0.000 0.244 524 S C 0.260 174.893 174.600 0.054 0.000 1.022 524 S CA -0.622 57.610 58.200 0.054 0.000 1.014 524 S CB -0.331 62.894 63.200 0.042 0.000 0.963 524 S HN 0.292 nan 8.310 nan 0.000 0.540 525 L N 2.636 123.906 121.223 0.077 0.000 2.615 525 L HA 0.098 4.425 4.340 -0.021 0.000 0.284 525 L C 0.813 177.711 176.870 0.047 0.000 1.237 525 L CA 1.416 56.300 54.840 0.073 0.000 0.905 525 L CB 0.440 42.569 42.059 0.117 0.000 1.149 525 L HN 0.354 nan 8.230 nan 0.000 0.499 526 Q N 2.886 122.702 119.800 0.027 0.000 2.471 526 Q HA 0.259 4.587 4.340 -0.021 0.000 0.259 526 Q C -0.305 175.673 176.000 -0.037 0.000 0.850 526 Q CA 0.155 55.956 55.803 -0.003 0.000 0.981 526 Q CB 0.797 29.541 28.738 0.009 0.000 1.180 526 Q HN 0.596 nan 8.270 nan 0.000 0.571 527 K N 0.605 120.993 120.400 -0.020 0.000 2.426 527 K HA 0.675 4.982 4.320 -0.021 0.000 0.251 527 K C -1.487 175.070 176.600 -0.071 0.000 0.941 527 K CA -0.502 55.713 56.287 -0.119 0.000 0.808 527 K CB 3.079 35.533 32.500 -0.078 0.000 1.265 527 K HN -0.037 nan 8.250 nan 0.000 0.432 528 I N 0.738 121.154 120.570 -0.256 0.000 2.743 528 I HA 0.383 4.540 4.170 -0.021 0.000 0.292 528 I C -1.693 174.331 176.117 -0.156 0.000 1.343 528 I CA -0.502 60.773 61.300 -0.042 0.000 1.038 528 I CB 1.336 39.296 38.000 -0.067 0.000 1.311 528 I HN 0.670 nan 8.210 nan 0.000 0.426 529 W N 8.002 129.267 121.300 -0.059 0.000 2.475 529 W HA 0.462 5.109 4.660 -0.021 0.000 0.317 529 W C -0.292 176.183 176.519 -0.074 0.000 1.046 529 W CA -0.489 56.797 57.345 -0.098 0.000 1.215 529 W CB 1.899 31.256 29.460 -0.171 0.000 1.335 529 W HN 0.472 nan 8.180 nan 0.000 0.471 530 L N 2.425 123.736 121.223 0.147 0.000 3.128 530 L HA 0.016 4.343 4.340 -0.021 0.000 0.277 530 L C 1.275 178.378 176.870 0.388 0.000 1.171 530 L CA -0.174 54.857 54.840 0.318 0.000 1.008 530 L CB -0.006 42.259 42.059 0.343 0.000 1.442 530 L HN 0.407 nan 8.230 nan 0.000 0.584 531 H N -0.435 118.826 119.070 0.317 0.000 2.929 531 H HA 0.016 4.559 4.556 -0.021 0.000 0.358 531 H C -0.224 175.217 175.328 0.189 0.000 1.111 531 H CA 0.818 57.022 56.048 0.259 0.000 1.409 531 H CB 0.436 30.310 29.762 0.187 0.000 1.373 531 H HN 0.091 nan 8.280 nan 0.000 0.610 532 T N 1.127 115.890 114.554 0.349 0.000 4.308 532 T HA -0.196 4.141 4.350 -0.021 0.000 0.338 532 T C -0.744 173.969 174.700 0.021 0.000 0.756 532 T CA 0.943 63.155 62.100 0.187 0.000 1.963 532 T CB -2.114 66.902 68.868 0.248 0.000 1.887 532 T HN 0.884 nan 8.240 nan 0.000 0.916 533 N N 0.790 119.430 118.700 -0.100 0.000 2.225 533 N HA 0.501 5.228 4.740 -0.021 0.000 0.298 533 N C -3.011 172.206 175.510 -0.487 0.000 1.076 533 N CA -2.005 50.778 53.050 -0.446 0.000 0.792 533 N CB 1.925 39.842 38.487 -0.951 0.000 1.498 533 N HN -0.132 nan 8.380 nan 0.000 0.474 534 P HA 0.063 nan 4.420 nan 0.000 0.235 534 P C -0.966 176.248 177.300 -0.143 0.000 1.765 534 P CA -0.104 62.887 63.100 -0.182 0.000 1.034 534 P CB -0.451 31.175 31.700 -0.122 0.000 1.984 535 W N 1.479 122.806 121.300 0.045 0.000 2.655 535 W HA 0.053 4.700 4.660 -0.021 0.000 0.333 535 W C 0.781 177.322 176.519 0.038 0.000 1.382 535 W CA -0.592 56.779 57.345 0.044 0.000 1.398 535 W CB -0.111 29.380 29.460 0.052 0.000 1.481 535 W HN 0.244 nan 8.180 nan 0.000 0.526 536 D N 3.653 124.208 120.400 0.259 0.000 2.348 536 D HA 0.013 4.641 4.640 -0.021 0.000 0.259 536 D C 0.066 176.463 176.300 0.161 0.000 1.296 536 D CA -0.119 53.978 54.000 0.162 0.000 0.931 536 D CB 0.359 41.228 40.800 0.114 0.000 1.067 536 D HN 0.317 nan 8.370 nan 0.000 0.503 537 c N 4.226 122.907 118.600 0.135 0.000 2.305 537 c HA 0.171 4.728 4.570 -0.021 0.000 0.361 537 c C 0.926 175.058 174.090 0.069 0.000 1.312 537 c CA -0.421 55.967 56.329 0.099 0.000 1.705 537 c CB -2.572 39.989 42.510 0.086 0.000 1.882 537 c HN 0.657 nan 8.230 nan 0.000 0.587 538 S N -1.149 114.592 115.700 0.069 0.000 2.576 538 S HA 0.083 4.540 4.470 -0.021 0.000 0.276 538 S C 1.068 175.696 174.600 0.047 0.000 1.339 538 S CA -0.395 57.836 58.200 0.052 0.000 1.039 538 S CB 0.638 63.867 63.200 0.048 0.000 0.902 538 S HN 0.555 nan 8.310 nan 0.000 0.516 539 c N 2.374 120.997 118.600 0.038 0.000 2.429 539 c HA 0.060 4.617 4.570 -0.021 0.000 0.277 539 c C -0.480 173.631 174.090 0.036 0.000 1.262 539 c CA 0.621 56.970 56.329 0.034 0.000 1.733 539 c CB -1.499 41.028 42.510 0.028 0.000 2.010 539 c HN 0.824 nan 8.230 nan 0.000 0.483 540 P HA 0.116 nan 4.420 nan 0.000 0.246 540 P C 0.308 177.631 177.300 0.038 0.000 1.686 540 P CA 0.980 64.099 63.100 0.032 0.000 0.867 540 P CB -0.118 31.597 31.700 0.026 0.000 1.733 541 R N -0.499 120.030 120.500 0.048 0.000 4.061 541 R HA 0.162 4.490 4.340 -0.021 0.000 0.064 541 R C 1.864 178.208 176.300 0.073 0.000 0.748 541 R CA 0.022 56.157 56.100 0.059 0.000 2.017 541 R CB -0.507 29.832 30.300 0.065 0.000 1.493 541 R HN 0.063 nan 8.270 nan 0.000 0.437 542 I N 0.284 120.895 120.570 0.068 0.000 3.550 542 I HA 0.058 4.215 4.170 -0.021 0.000 0.295 542 I C 1.242 177.389 176.117 0.049 0.000 1.291 542 I CA 0.834 62.167 61.300 0.055 0.000 1.298 542 I CB -0.062 37.961 38.000 0.038 0.000 1.026 542 I HN 0.151 nan 8.210 nan 0.000 0.491 543 D N 1.602 122.044 120.400 0.070 0.000 2.149 543 D HA -0.281 4.346 4.640 -0.021 0.000 0.198 543 D C 1.799 178.166 176.300 0.113 0.000 0.990 543 D CA 1.588 55.633 54.000 0.075 0.000 0.839 543 D CB -0.042 40.804 40.800 0.076 0.000 0.948 543 D HN 0.580 nan 8.370 nan 0.000 0.460 544 Y N 1.045 121.357 120.300 0.020 0.000 2.114 544 Y HA -0.140 4.397 4.550 -0.021 0.000 0.284 544 Y C 2.197 178.150 175.900 0.089 0.000 1.119 544 Y CA 1.158 59.283 58.100 0.042 0.000 1.108 544 Y CB -0.980 37.475 38.460 -0.008 0.000 0.995 544 Y HN -0.042 nan 8.280 nan 0.000 0.491 545 L N 0.159 121.273 121.223 -0.182 0.000 1.990 545 L HA -0.234 4.093 4.340 -0.021 0.000 0.213 545 L C 2.344 179.130 176.870 -0.140 0.000 1.072 545 L CA 2.551 57.248 54.840 -0.238 0.000 0.755 545 L CB -1.316 40.615 42.059 -0.213 0.000 0.889 545 L HN 0.277 nan 8.230 nan 0.000 0.432 546 S N -0.901 114.737 115.700 -0.104 0.000 2.440 546 S HA -0.205 4.252 4.470 -0.021 0.000 0.238 546 S C 2.064 176.631 174.600 -0.055 0.000 1.010 546 S CA 1.463 59.617 58.200 -0.077 0.000 0.972 546 S CB -0.407 62.767 63.200 -0.043 0.000 0.774 546 S HN 0.459 nan 8.310 nan 0.000 0.501 547 R N -1.102 119.370 120.500 -0.046 0.000 2.175 547 R HA 0.058 4.386 4.340 -0.021 0.000 0.202 547 R C 1.939 178.210 176.300 -0.049 0.000 1.018 547 R CA 0.268 56.348 56.100 -0.034 0.000 1.029 547 R CB -0.141 30.165 30.300 0.010 0.000 0.959 547 R HN 0.496 nan 8.270 nan 0.000 0.480 548 W N 0.742 121.874 121.300 -0.280 0.000 2.388 548 W HA -0.127 4.521 4.660 -0.021 0.000 0.294 548 W C 0.975 177.367 176.519 -0.211 0.000 1.212 548 W CA 0.902 58.083 57.345 -0.273 0.000 1.271 548 W CB 0.004 29.225 29.460 -0.399 0.000 1.126 548 W HN 0.030 nan 8.180 nan 0.000 0.535 549 L N 1.528 122.749 121.223 -0.004 0.000 2.633 549 L HA -0.129 4.198 4.340 -0.021 0.000 0.235 549 L C 1.452 178.197 176.870 -0.209 0.000 1.163 549 L CA 1.153 55.921 54.840 -0.119 0.000 0.859 549 L CB -1.431 40.596 42.059 -0.053 0.000 0.973 549 L HN 0.017 nan 8.230 nan 0.000 0.451 550 N N 0.468 119.042 118.700 -0.211 0.000 2.105 550 N HA -0.145 4.582 4.740 -0.021 0.000 0.190 550 N C 1.685 177.059 175.510 -0.227 0.000 1.066 550 N CA 1.514 54.456 53.050 -0.180 0.000 0.861 550 N CB -0.309 38.097 38.487 -0.135 0.000 1.048 550 N HN 0.309 nan 8.380 nan 0.000 0.442 551 K N 0.109 120.357 120.400 -0.254 0.000 2.152 551 K HA -0.012 4.295 4.320 -0.021 0.000 0.206 551 K C -0.169 176.227 176.600 -0.340 0.000 1.048 551 K CA 1.145 57.280 56.287 -0.253 0.000 0.933 551 K CB -0.249 32.111 32.500 -0.232 0.000 0.721 551 K HN 0.098 nan 8.250 nan 0.000 0.447 552 N N 1.732 120.114 118.700 -0.530 0.000 3.245 552 N HA -0.002 4.726 4.740 -0.021 0.000 0.296 552 N C -0.059 175.179 175.510 -0.453 0.000 1.254 552 N CA 0.120 52.770 53.050 -0.666 0.000 1.190 552 N CB 1.304 38.927 38.487 -1.440 0.000 1.460 552 N HN 0.280 nan 8.380 nan 0.000 0.538 553 S N 1.131 116.652 115.700 -0.298 0.000 2.460 553 S HA 0.011 4.468 4.470 -0.021 0.000 0.226 553 S C 1.519 176.006 174.600 -0.189 0.000 1.057 553 S CA 0.487 58.560 58.200 -0.212 0.000 0.948 553 S CB 0.308 63.410 63.200 -0.163 0.000 0.822 553 S HN 0.393 nan 8.310 nan 0.000 0.512 554 Q N 0.604 120.295 119.800 -0.182 0.000 2.224 554 Q HA -0.029 4.299 4.340 -0.021 0.000 0.203 554 Q C 1.989 177.883 176.000 -0.176 0.000 0.970 554 Q CA 1.117 56.826 55.803 -0.155 0.000 0.865 554 Q CB -0.054 28.606 28.738 -0.131 0.000 0.922 554 Q HN 0.503 nan 8.270 nan 0.000 0.445 555 K N 0.933 121.208 120.400 -0.208 0.000 2.062 555 K HA -0.066 4.241 4.320 -0.021 0.000 0.205 555 K C 0.801 177.267 176.600 -0.225 0.000 1.051 555 K CA 0.371 56.540 56.287 -0.198 0.000 0.941 555 K CB 0.049 32.430 32.500 -0.199 0.000 0.719 555 K HN 0.169 nan 8.250 nan 0.000 0.440 556 E N 1.764 121.837 120.200 -0.211 0.000 2.384 556 E HA -0.062 4.276 4.350 -0.021 0.000 0.266 556 E C -0.643 175.782 176.600 -0.291 0.000 1.012 556 E CA -0.056 56.220 56.400 -0.207 0.000 0.901 556 E CB 0.567 30.187 29.700 -0.133 0.000 0.967 556 E HN -0.004 nan 8.360 nan 0.000 0.435 557 Q N 2.536 122.075 119.800 -0.435 0.000 2.307 557 Q HA 0.383 4.711 4.340 -0.021 0.000 0.262 557 Q C 0.355 176.249 176.000 -0.177 0.000 0.961 557 Q CA 0.168 55.642 55.803 -0.550 0.000 0.882 557 Q CB 1.692 29.510 28.738 -1.533 0.000 1.264 557 Q HN 0.906 nan 8.270 nan 0.000 0.446 558 G N 2.474 111.252 108.800 -0.036 0.000 2.562 558 G HA2 -0.240 3.708 3.960 -0.021 0.000 0.250 558 G HA3 -0.240 3.708 3.960 -0.021 0.000 0.250 558 G C -0.729 174.213 174.900 0.070 0.000 1.269 558 G CA -0.113 45.044 45.100 0.096 0.000 0.919 558 G HN 1.175 nan 8.290 nan 0.000 0.574 559 S N -1.345 114.429 115.700 0.123 0.000 2.689 559 S HA 0.811 5.269 4.470 -0.021 0.000 0.274 559 S C -0.142 174.557 174.600 0.166 0.000 1.176 559 S CA 0.694 58.949 58.200 0.093 0.000 1.014 559 S CB 1.324 64.546 63.200 0.036 0.000 1.071 559 S HN 2.439 nan 8.310 nan 0.000 0.478 560 A N 2.889 125.814 122.820 0.175 0.000 2.445 560 A HA 0.692 5.000 4.320 -0.021 0.000 0.242 560 A C 0.128 177.846 177.584 0.224 0.000 1.075 560 A CA 0.059 52.269 52.037 0.288 0.000 0.777 560 A CB 0.165 19.265 19.000 0.167 0.000 1.013 560 A HN 0.750 nan 8.150 nan 0.000 0.493 561 K N -0.230 120.373 120.400 0.338 0.000 2.395 561 K HA 0.587 4.894 4.320 -0.021 0.000 0.245 561 K C -1.097 175.678 176.600 0.292 0.000 1.017 561 K CA -0.314 56.111 56.287 0.230 0.000 0.852 561 K CB 1.612 34.208 32.500 0.161 0.000 1.311 561 K HN 0.703 nan 8.250 nan 0.000 0.452 562 c N 1.325 120.036 118.600 0.186 0.000 2.388 562 c HA 0.185 4.742 4.570 -0.021 0.000 0.362 562 c C 1.894 176.064 174.090 0.134 0.000 1.266 562 c CA -0.382 56.054 56.329 0.179 0.000 2.028 562 c CB 0.622 43.203 42.510 0.118 0.000 2.440 562 c HN 0.957 nan 8.230 nan 0.000 0.547 563 S N 1.958 117.733 115.700 0.124 0.000 2.419 563 S HA -0.089 4.369 4.470 -0.021 0.000 0.235 563 S C 1.415 176.050 174.600 0.057 0.000 1.019 563 S CA 1.376 59.619 58.200 0.072 0.000 0.982 563 S CB -0.266 62.965 63.200 0.052 0.000 0.789 563 S HN 1.044 nan 8.310 nan 0.000 0.490 564 G N -0.275 108.562 108.800 0.062 0.000 3.502 564 G HA2 0.489 4.437 3.960 -0.021 0.000 0.267 564 G HA3 0.489 4.437 3.960 -0.021 0.000 0.267 564 G C -0.158 174.769 174.900 0.045 0.000 1.090 564 G CA 0.146 45.274 45.100 0.047 0.000 0.795 564 G HN 0.593 nan 8.290 nan 0.000 0.535 565 S N -1.700 114.031 115.700 0.052 0.000 2.602 565 S HA 0.381 4.839 4.470 -0.021 0.000 0.301 565 S C 0.927 175.559 174.600 0.053 0.000 1.091 565 S CA 0.266 58.493 58.200 0.046 0.000 0.895 565 S CB 0.468 63.693 63.200 0.041 0.000 1.090 565 S HN 0.448 nan 8.310 nan 0.000 0.449 566 G N 2.660 111.487 108.800 0.044 0.000 2.653 566 G HA2 -0.003 3.945 3.960 -0.021 0.000 0.212 566 G HA3 -0.003 3.945 3.960 -0.021 0.000 0.212 566 G C 0.456 175.383 174.900 0.046 0.000 1.138 566 G CA 0.280 45.408 45.100 0.047 0.000 0.782 566 G HN 0.668 nan 8.290 nan 0.000 0.535 567 K N 1.826 122.252 120.400 0.043 0.000 2.412 567 K HA 0.155 4.462 4.320 -0.021 0.000 0.284 567 K C -2.041 174.585 176.600 0.043 0.000 1.046 567 K CA -1.716 54.592 56.287 0.035 0.000 0.999 567 K CB 0.770 33.287 32.500 0.029 0.000 0.941 567 K HN 0.004 nan 8.250 nan 0.000 0.474 568 P HA -0.074 nan 4.420 nan 0.000 0.266 568 P C 0.585 177.891 177.300 0.010 0.000 1.195 568 P CA -0.063 63.055 63.100 0.029 0.000 0.768 568 P CB 0.948 32.655 31.700 0.012 0.000 0.838 569 V N 4.027 123.937 119.914 -0.007 0.000 2.667 569 V HA -0.213 3.895 4.120 -0.021 0.000 0.252 569 V C 2.768 178.818 176.094 -0.073 0.000 1.065 569 V CA 2.028 64.295 62.300 -0.054 0.000 1.083 569 V CB -1.357 30.370 31.823 -0.160 0.000 0.692 569 V HN 0.633 nan 8.190 nan 0.000 0.468 570 R N 2.345 122.803 120.500 -0.070 0.000 2.127 570 R HA -0.105 4.222 4.340 -0.021 0.000 0.238 570 R C 1.107 177.371 176.300 -0.059 0.000 1.134 570 R CA 1.593 57.650 56.100 -0.072 0.000 0.975 570 R CB -0.541 29.717 30.300 -0.071 0.000 0.865 570 R HN 0.592 nan 8.270 nan 0.000 0.447 571 S N 1.540 117.215 115.700 -0.042 0.000 2.328 571 S HA 0.547 5.004 4.470 -0.021 0.000 0.204 571 S C -0.208 174.379 174.600 -0.021 0.000 1.475 571 S CA -0.956 57.224 58.200 -0.033 0.000 1.148 571 S CB -0.079 63.103 63.200 -0.030 0.000 1.077 571 S HN 0.419 nan 8.310 nan 0.000 0.479 572 I N -1.088 119.470 120.570 -0.020 0.000 2.740 572 I HA 0.450 4.608 4.170 -0.021 0.000 0.281 572 I C -1.761 174.351 176.117 -0.007 0.000 1.427 572 I CA -0.891 60.404 61.300 -0.009 0.000 1.110 572 I CB 0.464 38.464 38.000 -0.001 0.000 1.416 572 I HN 0.210 nan 8.210 nan 0.000 0.429 573 I N 4.243 124.811 120.570 -0.003 0.000 2.707 573 I HA 0.619 4.776 4.170 -0.021 0.000 0.309 573 I C 0.022 176.145 176.117 0.009 0.000 1.001 573 I CA -0.348 60.953 61.300 0.002 0.000 1.129 573 I CB 1.788 39.788 38.000 -0.001 0.000 1.308 573 I HN 0.615 nan 8.210 nan 0.000 0.466 574 c N 3.574 122.183 118.600 0.015 0.000 2.435 574 c HA 0.660 5.217 4.570 -0.021 0.000 0.333 574 c C -1.586 172.514 174.090 0.017 0.000 1.202 574 c CA -0.697 55.643 56.329 0.018 0.000 1.830 574 c CB 0.657 43.181 42.510 0.024 0.000 2.326 574 c HN 0.663 nan 8.230 nan 0.000 0.507 575 P HA 0.000 nan 4.420 nan 0.000 0.216 575 P CA 0.000 63.108 63.100 0.013 0.000 0.800 575 P CB 0.000 31.707 31.700 0.012 0.000 0.726