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 1sky_1_B DATA FIRST_RESID 21 DATA SEQUENCE SQIQVSDVGT VIQVGDGIAR AHGLDNVMSG EAVEFANAVM GMALNLEENN DATA SEQUENCE VGIVILGPYT GIKEGDEVRR TGRIMEVPVG ETLIGRVVNP LGQPVDGLGP DATA SEQUENCE VETTETRPIE SRAPGVMDRR SVHEPLQTGI KAIDALVPIG RGQRELIIGD DATA SEQUENCE RQTGKTSVAI DTIINQKDQN MICIYVAIGQ KESTVATVVE TLAKHGAPDY DATA SEQUENCE TIVVTASASQ PAPLLFLAPY AGVAMGEYFM IMGKHVLVVI DDLSKQAAAY DATA SEQUENCE RQLSLLLRRP PGREAYPGDI FYLHSRLLER AAKLSDAKGG GSLTALPFVE DATA SEQUENCE TQAGDISAYI PTNVISITDG QIFLQSDLFF SGVRPAINAG LSVSRVGGAA DATA SEQUENCE QIKAMKKVAG TLRLDLAAYR ELEXFAQFXS DXDKATQANV ARGARTVEVL DATA SEQUENCE KQDLHQPIPV EKQVLIIYAL TRGFLDDIPV EDVRRFEKEF YLWLDQNGQH DATA SEQUENCE LLEHIRTTKD LPNEDDLNQA IEAFKKTFVV SQ 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 21 S HA 0.000 nan 4.470 nan 0.000 0.327 21 S C 0.000 174.597 174.600 -0.006 0.000 1.055 21 S CA 0.000 58.197 58.200 -0.006 0.000 1.107 21 S CB 0.000 63.197 63.200 -0.006 0.000 0.593 22 Q N 1.210 121.006 119.800 -0.005 0.000 2.125 22 Q HA 0.443 4.783 4.340 -0.000 0.000 0.164 22 Q C 0.859 176.856 176.000 -0.005 0.000 0.559 22 Q CA 0.141 55.941 55.803 -0.005 0.000 0.782 22 Q CB 0.152 28.888 28.738 -0.004 0.000 1.078 22 Q HN 0.647 nan 8.270 nan 0.000 0.431 23 I N 0.773 121.340 120.570 -0.004 0.000 2.685 23 I HA -0.032 4.138 4.170 -0.000 0.000 0.251 23 I C 1.302 177.417 176.117 -0.004 0.000 1.102 23 I CA 0.103 61.401 61.300 -0.004 0.000 1.442 23 I CB -0.037 37.961 38.000 -0.003 0.000 1.194 23 I HN 0.222 nan 8.210 nan 0.000 0.448 24 Q N 0.988 120.786 119.800 -0.003 0.000 3.159 24 Q HA -0.056 4.284 4.340 -0.000 0.000 0.197 24 Q C 1.454 177.452 176.000 -0.003 0.000 1.171 24 Q CA 0.573 56.375 55.803 -0.002 0.000 1.232 24 Q CB 0.150 28.887 28.738 -0.002 0.000 1.363 24 Q HN 0.080 nan 8.270 nan 0.000 0.699 25 V N 0.599 120.513 119.914 -0.001 0.000 2.481 25 V HA -0.360 3.760 4.120 -0.000 0.000 0.263 25 V C 2.023 178.115 176.094 -0.004 0.000 1.108 25 V CA 2.248 64.548 62.300 0.000 0.000 1.113 25 V CB -0.829 30.995 31.823 0.002 0.000 0.684 25 V HN 0.674 nan 8.190 nan 0.000 0.467 26 S N -0.522 115.175 115.700 -0.006 0.000 2.420 26 S HA -0.236 4.234 4.470 -0.000 0.000 0.237 26 S C 1.340 175.934 174.600 -0.010 0.000 1.023 26 S CA 1.821 60.016 58.200 -0.008 0.000 0.991 26 S CB -0.257 62.939 63.200 -0.007 0.000 0.792 26 S HN 0.733 nan 8.310 nan 0.000 0.488 27 D N -0.740 119.654 120.400 -0.011 0.000 2.503 27 D HA 0.340 4.980 4.640 -0.000 0.000 0.218 27 D C -0.767 175.521 176.300 -0.020 0.000 1.183 27 D CA 0.067 54.057 54.000 -0.016 0.000 0.827 27 D CB 1.200 41.991 40.800 -0.014 0.000 1.034 27 D HN 0.099 nan 8.370 nan 0.000 0.510 28 V N 0.215 120.121 119.914 -0.014 0.000 2.733 28 V HA 0.803 4.923 4.120 -0.000 0.000 0.306 28 V C -0.237 175.854 176.094 -0.004 0.000 1.084 28 V CA -0.484 61.807 62.300 -0.014 0.000 0.905 28 V CB 1.639 33.459 31.823 -0.006 0.000 1.010 28 V HN 0.078 nan 8.190 nan 0.000 0.424 29 G N 3.186 111.980 108.800 -0.010 0.000 2.685 29 G HA2 0.747 4.707 3.960 -0.000 0.000 0.298 29 G HA3 0.747 4.707 3.960 -0.000 0.000 0.298 29 G C -0.886 174.031 174.900 0.028 0.000 1.277 29 G CA -0.584 44.524 45.100 0.014 0.000 0.986 29 G HN 0.692 nan 8.290 nan 0.000 0.487 30 T N 0.094 114.682 114.554 0.056 0.000 2.881 30 T HA 0.405 4.755 4.350 -0.000 0.000 0.290 30 T C -0.112 174.615 174.700 0.045 0.000 1.000 30 T CA -0.294 61.839 62.100 0.056 0.000 0.978 30 T CB 1.835 70.739 68.868 0.060 0.000 0.997 30 T HN 0.369 nan 8.240 nan 0.000 0.443 31 V N 4.737 124.691 119.914 0.067 0.000 2.673 31 V HA 0.059 4.179 4.120 -0.000 0.000 0.303 31 V C 0.737 176.819 176.094 -0.020 0.000 1.046 31 V CA 0.238 62.578 62.300 0.066 0.000 1.126 31 V CB 0.381 32.281 31.823 0.128 0.000 0.934 31 V HN 0.782 nan 8.190 nan 0.000 0.487 32 I N 2.869 123.394 120.570 -0.075 0.000 3.300 32 I HA 0.207 4.377 4.170 -0.000 0.000 0.279 32 I C 0.745 176.817 176.117 -0.076 0.000 1.172 32 I CA 0.908 62.116 61.300 -0.153 0.000 1.431 32 I CB -0.173 37.641 38.000 -0.311 0.000 1.240 32 I HN 0.635 nan 8.210 nan 0.000 0.453 33 Q N 0.425 120.201 119.800 -0.040 0.000 2.289 33 Q HA 0.612 4.952 4.340 -0.000 0.000 0.270 33 Q C -1.328 174.670 176.000 -0.004 0.000 1.038 33 Q CA -0.305 55.485 55.803 -0.022 0.000 0.812 33 Q CB 3.553 32.274 28.738 -0.027 0.000 1.300 33 Q HN -0.129 nan 8.270 nan 0.000 0.427 34 V N 0.461 120.373 119.914 -0.003 0.000 2.656 34 V HA 0.983 5.103 4.120 -0.000 0.000 0.307 34 V C -0.035 176.064 176.094 0.010 0.000 1.051 34 V CA -0.623 61.675 62.300 -0.003 0.000 0.893 34 V CB 1.891 33.720 31.823 0.010 0.000 0.999 34 V HN 0.905 nan 8.190 nan 0.000 0.426 35 G N 1.651 110.422 108.800 -0.048 0.000 2.380 35 G HA2 0.458 4.418 3.960 -0.000 0.000 0.305 35 G HA3 0.458 4.418 3.960 -0.000 0.000 0.305 35 G C -0.917 173.776 174.900 -0.345 0.000 1.672 35 G CA -0.616 44.440 45.100 -0.075 0.000 0.904 35 G HN 0.619 nan 8.290 nan 0.000 0.686 36 D N 0.168 120.232 120.400 -0.560 0.000 2.686 36 D HA -0.171 4.469 4.640 -0.000 0.000 0.235 36 D C 1.723 177.538 176.300 -0.808 0.000 1.160 36 D CA 2.879 56.484 54.000 -0.658 0.000 0.645 36 D CB -1.069 39.587 40.800 -0.240 0.000 1.039 36 D HN 2.274 nan 8.370 nan 0.000 0.423 37 G N -1.440 106.473 108.800 -1.478 0.000 2.189 37 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.267 37 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.267 37 G C 0.342 175.060 174.900 -0.304 0.000 0.975 37 G CA 0.631 45.308 45.100 -0.706 0.000 0.644 37 G HN 0.483 nan 8.290 nan 0.000 0.537 38 I N 0.616 121.019 120.570 -0.279 0.000 2.750 38 I HA 0.888 5.058 4.170 -0.000 0.000 0.308 38 I C 0.457 176.528 176.117 -0.075 0.000 1.016 38 I CA -1.165 60.063 61.300 -0.120 0.000 1.098 38 I CB 1.585 39.522 38.000 -0.105 0.000 1.279 38 I HN 0.647 nan 8.210 nan 0.000 0.454 39 A N 5.358 128.186 122.820 0.015 0.000 2.574 39 A HA 0.831 5.151 4.320 -0.000 0.000 0.297 39 A C -0.909 176.721 177.584 0.076 0.000 1.062 39 A CA -0.776 51.296 52.037 0.058 0.000 0.686 39 A CB 1.895 20.982 19.000 0.145 0.000 1.285 39 A HN 0.645 nan 8.150 nan 0.000 0.403 40 R N 0.366 120.895 120.500 0.049 0.000 2.534 40 R HA 0.745 5.085 4.340 -0.000 0.000 0.301 40 R C -0.657 175.656 176.300 0.022 0.000 0.961 40 R CA -0.490 55.629 56.100 0.032 0.000 0.871 40 R CB 2.358 32.660 30.300 0.003 0.000 1.170 40 R HN 0.983 nan 8.270 nan 0.000 0.446 41 A N 2.279 125.121 122.820 0.037 0.000 2.401 41 A HA 0.508 4.828 4.320 -0.000 0.000 0.310 41 A C -1.099 176.537 177.584 0.087 0.000 1.075 41 A CA -0.680 51.376 52.037 0.031 0.000 0.746 41 A CB 1.042 20.074 19.000 0.054 0.000 1.277 41 A HN 0.824 nan 8.150 nan 0.000 0.425 42 H N -0.221 118.863 119.070 0.022 0.000 2.508 42 H HA 0.548 5.104 4.556 -0.000 0.000 0.358 42 H C 1.228 176.559 175.328 0.004 0.000 1.212 42 H CA 0.420 56.476 56.048 0.012 0.000 1.356 42 H CB 1.215 30.985 29.762 0.013 0.000 1.525 42 H HN 1.432 nan 8.280 nan 0.000 0.578 43 G N 0.088 108.959 108.800 0.118 0.000 2.496 43 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.243 43 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.243 43 G C 0.082 174.997 174.900 0.026 0.000 1.176 43 G CA -0.254 44.874 45.100 0.048 0.000 0.940 43 G HN 0.800 nan 8.290 nan 0.000 0.573 44 L N -0.279 120.950 121.223 0.009 0.000 3.839 44 L HA -0.248 4.092 4.340 -0.000 0.000 0.416 44 L C 1.439 178.306 176.870 -0.005 0.000 1.195 44 L CA 1.110 55.946 54.840 -0.006 0.000 0.946 44 L CB -1.288 40.761 42.059 -0.016 0.000 1.891 44 L HN 0.724 nan 8.230 nan 0.000 0.963 45 D N -0.006 120.392 120.400 -0.004 0.000 2.254 45 D HA -0.170 4.470 4.640 -0.000 0.000 0.201 45 D C 1.563 177.859 176.300 -0.007 0.000 0.998 45 D CA 1.699 55.695 54.000 -0.006 0.000 0.885 45 D CB -0.065 40.730 40.800 -0.009 0.000 0.915 45 D HN 0.500 nan 8.370 nan 0.000 0.460 46 N N -0.105 118.589 118.700 -0.009 0.000 2.230 46 N HA 0.042 4.782 4.740 -0.000 0.000 0.202 46 N C -0.159 175.344 175.510 -0.011 0.000 1.119 46 N CA -0.040 53.005 53.050 -0.009 0.000 0.851 46 N CB 0.581 39.063 38.487 -0.010 0.000 0.990 46 N HN 0.150 nan 8.380 nan 0.000 0.497 47 V N -0.336 119.570 119.914 -0.013 0.000 2.872 47 V HA 0.192 4.312 4.120 -0.000 0.000 0.307 47 V C 0.498 176.587 176.094 -0.008 0.000 1.072 47 V CA -0.334 61.958 62.300 -0.015 0.000 1.148 47 V CB 0.358 32.169 31.823 -0.020 0.000 0.954 47 V HN -0.027 nan 8.190 nan 0.000 0.490 48 M N 4.507 124.102 119.600 -0.008 0.000 2.300 48 M HA 0.417 4.897 4.480 -0.000 0.000 0.348 48 M C 0.474 176.774 176.300 0.000 0.000 1.151 48 M CA -0.381 54.917 55.300 -0.003 0.000 1.046 48 M CB 1.761 34.358 32.600 -0.005 0.000 1.647 48 M HN 0.943 nan 8.290 nan 0.000 0.451 49 S N 1.242 116.945 115.700 0.005 0.000 2.546 49 S HA 0.400 4.870 4.470 -0.000 0.000 0.290 49 S C 1.114 175.721 174.600 0.012 0.000 1.290 49 S CA 0.211 58.418 58.200 0.012 0.000 1.069 49 S CB 0.349 63.559 63.200 0.016 0.000 0.846 49 S HN 1.157 nan 8.310 nan 0.000 0.495 50 G N 1.422 110.233 108.800 0.017 0.000 2.194 50 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.236 50 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.236 50 G C -0.156 174.749 174.900 0.008 0.000 0.987 50 G CA 0.083 45.192 45.100 0.016 0.000 0.635 50 G HN 1.000 nan 8.290 nan 0.000 0.520 51 E N 0.968 121.170 120.200 0.002 0.000 2.338 51 E HA 0.594 4.944 4.350 -0.000 0.000 0.272 51 E C 0.717 177.312 176.600 -0.008 0.000 1.029 51 E CA 0.001 56.397 56.400 -0.007 0.000 0.872 51 E CB 0.700 30.391 29.700 -0.014 0.000 1.015 51 E HN 0.740 nan 8.360 nan 0.000 0.417 52 A N 4.346 127.160 122.820 -0.009 0.000 2.404 52 A HA 0.355 4.675 4.320 -0.000 0.000 0.273 52 A C -0.038 177.523 177.584 -0.039 0.000 1.144 52 A CA -0.499 51.533 52.037 -0.009 0.000 0.806 52 A CB 0.053 19.053 19.000 0.001 0.000 1.080 52 A HN 0.500 nan 8.150 nan 0.000 0.509 53 V N 0.743 120.614 119.914 -0.072 0.000 2.975 53 V HA 0.807 4.927 4.120 -0.000 0.000 0.318 53 V C -0.272 175.715 176.094 -0.179 0.000 1.077 53 V CA -0.777 61.436 62.300 -0.145 0.000 1.000 53 V CB 1.656 33.347 31.823 -0.220 0.000 1.066 53 V HN 0.916 nan 8.190 nan 0.000 0.452 54 E N 1.448 121.528 120.200 -0.199 0.000 2.224 54 E HA 0.518 4.868 4.350 -0.000 0.000 0.265 54 E C -1.446 175.047 176.600 -0.178 0.000 0.878 54 E CA -0.722 55.603 56.400 -0.125 0.000 0.759 54 E CB 1.450 31.132 29.700 -0.030 0.000 1.164 54 E HN 0.627 nan 8.360 nan 0.000 0.414 55 F N 2.364 122.328 119.950 0.022 0.000 2.406 55 F HA 0.266 4.793 4.527 -0.000 0.000 0.327 55 F C 1.649 177.460 175.800 0.018 0.000 1.153 55 F CA 0.399 58.412 58.000 0.022 0.000 1.218 55 F CB 0.839 39.856 39.000 0.028 0.000 1.215 55 F HN 0.752 nan 8.300 nan 0.000 0.570 56 A N 2.044 124.987 122.820 0.204 0.000 1.873 56 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 56 A C 2.018 179.664 177.584 0.103 0.000 1.193 56 A CA 2.079 54.185 52.037 0.115 0.000 0.629 56 A CB -1.110 17.946 19.000 0.094 0.000 0.826 56 A HN 0.847 nan 8.150 nan 0.000 0.447 57 N N -0.451 118.318 118.700 0.115 0.000 2.588 57 N HA 0.075 4.815 4.740 -0.000 0.000 0.190 57 N C 0.694 176.250 175.510 0.076 0.000 1.094 57 N CA 1.693 54.787 53.050 0.073 0.000 0.921 57 N CB -0.594 37.921 38.487 0.046 0.000 0.959 57 N HN 1.451 nan 8.380 nan 0.000 0.448 58 A N -2.337 120.547 122.820 0.108 0.000 3.300 58 A HA -0.124 4.196 4.320 -0.000 0.000 0.234 58 A C -0.029 177.623 177.584 0.114 0.000 1.310 58 A CA 0.517 52.610 52.037 0.093 0.000 1.123 58 A CB -2.210 16.824 19.000 0.056 0.000 1.143 58 A HN 0.162 nan 8.150 nan 0.000 0.853 59 V N 2.145 122.163 119.914 0.173 0.000 2.686 59 V HA 0.558 4.678 4.120 -0.000 0.000 0.295 59 V C 1.014 177.277 176.094 0.281 0.000 1.057 59 V CA -0.398 62.011 62.300 0.181 0.000 1.012 59 V CB 1.354 33.252 31.823 0.125 0.000 1.006 59 V HN 0.499 nan 8.190 nan 0.000 0.477 60 M N 2.727 122.450 119.600 0.204 0.000 2.283 60 M HA 0.657 5.137 4.480 -0.000 0.000 0.314 60 M C 0.409 176.873 176.300 0.274 0.000 1.153 60 M CA -0.347 55.060 55.300 0.179 0.000 1.084 60 M CB 1.059 33.719 32.600 0.099 0.000 1.468 60 M HN 0.835 nan 8.290 nan 0.000 0.474 61 G N 1.144 110.054 108.800 0.183 0.000 2.742 61 G HA2 0.624 4.584 3.960 -0.000 0.000 0.296 61 G HA3 0.624 4.584 3.960 -0.000 0.000 0.296 61 G C -1.821 173.132 174.900 0.087 0.000 1.436 61 G CA -0.733 44.502 45.100 0.226 0.000 0.928 61 G HN 0.701 nan 8.290 nan 0.000 0.520 62 M N 2.342 122.004 119.600 0.104 0.000 2.294 62 M HA 0.745 5.225 4.480 -0.000 0.000 0.335 62 M C -0.005 176.330 176.300 0.059 0.000 1.079 62 M CA -0.847 54.494 55.300 0.069 0.000 0.982 62 M CB 1.732 34.389 32.600 0.095 0.000 1.651 62 M HN 0.702 nan 8.290 nan 0.000 0.437 63 A N 5.975 128.811 122.820 0.028 0.000 2.350 63 A HA 0.385 4.705 4.320 -0.000 0.000 0.293 63 A C 0.370 177.974 177.584 0.034 0.000 1.231 63 A CA -0.568 51.483 52.037 0.023 0.000 0.883 63 A CB -0.092 18.908 19.000 0.001 0.000 1.133 63 A HN 1.108 nan 8.150 nan 0.000 0.533 64 L N 1.767 123.014 121.223 0.040 0.000 2.189 64 L HA 0.090 4.430 4.340 -0.000 0.000 0.199 64 L C 0.345 177.232 176.870 0.029 0.000 1.074 64 L CA 0.455 55.319 54.840 0.040 0.000 0.783 64 L CB -0.199 41.882 42.059 0.036 0.000 0.955 64 L HN 0.585 nan 8.230 nan 0.000 0.460 65 N N 1.251 119.965 118.700 0.023 0.000 2.426 65 N HA 0.281 5.021 4.740 -0.000 0.000 0.257 65 N C -0.688 174.833 175.510 0.019 0.000 1.002 65 N CA -0.001 53.060 53.050 0.019 0.000 0.942 65 N CB 1.570 40.065 38.487 0.014 0.000 1.112 65 N HN 0.075 nan 8.380 nan 0.000 0.499 66 L N 2.618 123.852 121.223 0.017 0.000 2.352 66 L HA 0.279 4.619 4.340 -0.000 0.000 0.272 66 L C 0.606 177.485 176.870 0.015 0.000 1.109 66 L CA -0.194 54.655 54.840 0.015 0.000 0.952 66 L CB 0.089 42.154 42.059 0.011 0.000 1.314 66 L HN 0.305 nan 8.230 nan 0.000 0.427 67 E N 0.963 121.174 120.200 0.019 0.000 2.318 67 E HA 0.029 4.379 4.350 -0.000 0.000 0.265 67 E C 0.681 177.291 176.600 0.016 0.000 1.069 67 E CA -0.332 56.079 56.400 0.018 0.000 0.893 67 E CB 1.633 31.347 29.700 0.024 0.000 1.076 67 E HN 0.416 nan 8.360 nan 0.000 0.414 68 E N 1.463 121.669 120.200 0.010 0.000 2.171 68 E HA -0.239 4.111 4.350 -0.000 0.000 0.197 68 E C 0.359 176.957 176.600 -0.004 0.000 0.997 68 E CA 1.248 57.649 56.400 0.002 0.000 0.810 68 E CB 0.214 29.913 29.700 -0.001 0.000 0.738 68 E HN 0.335 nan 8.360 nan 0.000 0.467 69 N N 0.671 119.376 118.700 0.008 0.000 2.299 69 N HA 0.072 4.812 4.740 -0.000 0.000 0.246 69 N C -1.064 174.487 175.510 0.068 0.000 1.254 69 N CA 0.018 53.063 53.050 -0.009 0.000 0.879 69 N CB 0.688 39.161 38.487 -0.023 0.000 1.214 69 N HN 0.247 nan 8.380 nan 0.000 0.510 70 N N -1.561 117.192 118.700 0.088 0.000 3.533 70 N HA 0.120 4.860 4.740 -0.000 0.000 0.229 70 N C -1.837 173.718 175.510 0.075 0.000 1.418 70 N CA -0.423 52.711 53.050 0.141 0.000 0.880 70 N CB 1.337 39.916 38.487 0.152 0.000 1.415 70 N HN -0.298 nan 8.380 nan 0.000 0.491 71 V N -0.152 119.802 119.914 0.067 0.000 2.531 71 V HA 0.688 4.808 4.120 -0.000 0.000 0.301 71 V C 0.734 176.852 176.094 0.040 0.000 1.034 71 V CA -0.654 61.671 62.300 0.041 0.000 0.865 71 V CB 1.459 33.298 31.823 0.027 0.000 0.995 71 V HN 0.855 nan 8.190 nan 0.000 0.424 72 G N 5.144 113.964 108.800 0.032 0.000 2.394 72 G HA2 0.587 4.547 3.960 -0.000 0.000 0.298 72 G HA3 0.587 4.547 3.960 -0.000 0.000 0.298 72 G C -0.520 174.406 174.900 0.043 0.000 1.087 72 G CA -0.153 44.966 45.100 0.032 0.000 1.035 72 G HN 0.612 nan 8.290 nan 0.000 0.420 73 I N 2.277 122.889 120.570 0.070 0.000 2.377 73 I HA 0.226 4.396 4.170 -0.000 0.000 0.293 73 I C -0.241 175.950 176.117 0.123 0.000 0.987 73 I CA -0.949 60.415 61.300 0.108 0.000 1.185 73 I CB 2.318 40.425 38.000 0.178 0.000 1.341 73 I HN 0.038 nan 8.210 nan 0.000 0.455 74 V N 7.363 127.348 119.914 0.118 0.000 2.350 74 V HA 0.348 4.468 4.120 -0.000 0.000 0.276 74 V C 0.286 176.474 176.094 0.158 0.000 1.028 74 V CA -0.471 61.890 62.300 0.101 0.000 0.860 74 V CB 1.325 33.204 31.823 0.094 0.000 0.990 74 V HN 0.461 nan 8.190 nan 0.000 0.453 75 I N 6.087 126.737 120.570 0.132 0.000 2.471 75 I HA 0.169 4.339 4.170 -0.000 0.000 0.286 75 I C 0.443 176.639 176.117 0.132 0.000 1.079 75 I CA 0.018 61.413 61.300 0.158 0.000 1.398 75 I CB 0.781 38.782 38.000 0.001 0.000 1.403 75 I HN 0.482 nan 8.210 nan 0.000 0.530 76 L N 7.274 128.592 121.223 0.157 0.000 3.035 76 L HA 0.501 4.841 4.340 -0.000 0.000 0.232 76 L C 0.711 177.642 176.870 0.102 0.000 1.341 76 L CA -0.173 54.742 54.840 0.125 0.000 1.177 76 L CB -0.769 41.361 42.059 0.119 0.000 1.555 76 L HN 0.910 nan 8.230 nan 0.000 0.473 77 G N -0.631 108.228 108.800 0.097 0.000 2.360 77 G HA2 0.168 4.128 3.960 -0.000 0.000 0.276 77 G HA3 0.168 4.128 3.960 -0.000 0.000 0.276 77 G C -3.095 171.856 174.900 0.085 0.000 1.256 77 G CA -0.722 44.426 45.100 0.079 0.000 0.890 77 G HN -0.120 nan 8.290 nan 0.000 0.486 78 P HA 0.230 nan 4.420 nan 0.000 0.261 78 P C -0.357 176.938 177.300 -0.008 0.000 1.203 78 P CA 0.234 63.333 63.100 -0.002 0.000 0.767 78 P CB -0.159 31.517 31.700 -0.039 0.000 0.785 79 Y N 1.103 121.347 120.300 -0.094 0.000 2.524 79 Y HA 0.178 4.728 4.550 -0.000 0.000 0.266 79 Y C 1.261 177.088 175.900 -0.122 0.000 1.180 79 Y CA 0.009 58.020 58.100 -0.147 0.000 1.244 79 Y CB -0.874 37.506 38.460 -0.132 0.000 1.125 79 Y HN 0.229 nan 8.280 nan 0.000 0.524 80 T N -4.323 110.015 114.554 -0.360 0.000 3.057 80 T HA 0.184 4.534 4.350 -0.000 0.000 0.254 80 T C 1.863 176.474 174.700 -0.147 0.000 1.094 80 T CA 0.571 62.493 62.100 -0.297 0.000 1.088 80 T CB -0.256 68.418 68.868 -0.324 0.000 0.934 80 T HN 0.434 nan 8.240 nan 0.000 0.497 81 G N 1.315 110.043 108.800 -0.119 0.000 2.572 81 G HA2 0.256 4.216 3.960 -0.000 0.000 0.216 81 G HA3 0.256 4.216 3.960 -0.000 0.000 0.216 81 G C 0.491 175.354 174.900 -0.061 0.000 1.133 81 G CA -0.174 44.882 45.100 -0.074 0.000 0.791 81 G HN 0.554 nan 8.290 nan 0.000 0.538 82 I N 0.535 121.050 120.570 -0.092 0.000 2.396 82 I HA 0.372 4.542 4.170 -0.000 0.000 0.292 82 I C -0.009 176.082 176.117 -0.043 0.000 0.999 82 I CA -0.291 60.954 61.300 -0.091 0.000 1.310 82 I CB 1.656 39.505 38.000 -0.251 0.000 1.404 82 I HN -0.106 nan 8.210 nan 0.000 0.496 83 K N 4.020 124.413 120.400 -0.011 0.000 2.433 83 K HA 0.358 4.678 4.320 -0.000 0.000 0.252 83 K C -0.783 175.826 176.600 0.016 0.000 1.015 83 K CA -0.980 55.308 56.287 0.001 0.000 0.860 83 K CB 1.966 34.467 32.500 0.002 0.000 1.359 83 K HN 0.519 nan 8.250 nan 0.000 0.452 84 E N 0.177 120.384 120.200 0.011 0.000 2.414 84 E HA 0.056 4.406 4.350 -0.000 0.000 0.263 84 E C 0.452 177.062 176.600 0.017 0.000 1.000 84 E CA 1.296 57.702 56.400 0.009 0.000 0.914 84 E CB 0.305 30.002 29.700 -0.005 0.000 0.948 84 E HN 0.731 nan 8.360 nan 0.000 0.444 85 G N 4.130 112.945 108.800 0.024 0.000 2.345 85 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 85 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 85 G C -0.020 174.909 174.900 0.048 0.000 1.058 85 G CA 0.038 45.157 45.100 0.030 0.000 0.632 85 G HN 0.675 nan 8.290 nan 0.000 0.508 86 D N 1.750 122.188 120.400 0.063 0.000 2.601 86 D HA 0.375 5.015 4.640 -0.000 0.000 0.229 86 D C 0.708 177.072 176.300 0.108 0.000 1.140 86 D CA 0.758 54.813 54.000 0.093 0.000 0.862 86 D CB 0.560 41.437 40.800 0.128 0.000 1.192 86 D HN 0.601 nan 8.370 nan 0.000 0.480 87 E N 0.891 121.146 120.200 0.091 0.000 2.343 87 E HA 0.391 4.741 4.350 -0.000 0.000 0.269 87 E C -1.246 175.387 176.600 0.055 0.000 1.047 87 E CA -0.730 55.707 56.400 0.061 0.000 0.874 87 E CB 0.811 30.535 29.700 0.039 0.000 1.033 87 E HN 0.133 nan 8.360 nan 0.000 0.409 88 V N 4.163 124.067 119.914 -0.017 0.000 2.577 88 V HA 0.455 4.575 4.120 -0.000 0.000 0.303 88 V C -0.253 175.767 176.094 -0.123 0.000 1.042 88 V CA -0.872 61.336 62.300 -0.153 0.000 0.872 88 V CB 1.464 33.130 31.823 -0.261 0.000 0.998 88 V HN 0.680 nan 8.190 nan 0.000 0.423 89 R N 3.164 123.585 120.500 -0.131 0.000 2.589 89 R HA 0.607 4.947 4.340 -0.000 0.000 0.293 89 R C -0.183 176.061 176.300 -0.093 0.000 0.963 89 R CA -0.823 55.227 56.100 -0.084 0.000 0.905 89 R CB 1.574 31.846 30.300 -0.048 0.000 1.144 89 R HN 0.729 nan 8.270 nan 0.000 0.459 90 R N 0.622 121.083 120.500 -0.065 0.000 2.594 90 R HA 0.052 4.392 4.340 -0.000 0.000 0.272 90 R C 0.829 177.103 176.300 -0.043 0.000 1.074 90 R CA 0.536 56.603 56.100 -0.055 0.000 1.105 90 R CB 0.975 31.253 30.300 -0.038 0.000 1.008 90 R HN 0.823 nan 8.270 nan 0.000 0.472 91 T N -2.331 112.200 114.554 -0.038 0.000 2.999 91 T HA 0.163 4.513 4.350 -0.000 0.000 0.247 91 T C 1.208 175.896 174.700 -0.020 0.000 1.012 91 T CA 0.451 62.535 62.100 -0.027 0.000 1.048 91 T CB 0.526 69.379 68.868 -0.024 0.000 1.020 91 T HN 0.785 nan 8.240 nan 0.000 0.478 92 G N 1.762 110.549 108.800 -0.020 0.000 2.132 92 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.228 92 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.228 92 G C -0.136 174.756 174.900 -0.013 0.000 1.000 92 G CA -0.176 44.915 45.100 -0.015 0.000 0.693 92 G HN 0.770 nan 8.290 nan 0.000 0.515 93 R N -0.358 120.134 120.500 -0.014 0.000 2.532 93 R HA 0.564 4.904 4.340 -0.000 0.000 0.297 93 R C 0.422 176.715 176.300 -0.011 0.000 0.984 93 R CA -1.051 55.042 56.100 -0.012 0.000 0.884 93 R CB 1.458 31.751 30.300 -0.011 0.000 1.182 93 R HN 0.122 nan 8.270 nan 0.000 0.442 94 I N 2.893 123.456 120.570 -0.011 0.000 2.813 94 I HA -0.018 4.152 4.170 -0.000 0.000 0.287 94 I C 1.020 177.129 176.117 -0.013 0.000 1.196 94 I CA -0.052 61.242 61.300 -0.011 0.000 1.421 94 I CB 0.340 38.332 38.000 -0.014 0.000 1.365 94 I HN 0.629 nan 8.210 nan 0.000 0.591 95 M N 6.612 126.206 119.600 -0.010 0.000 2.394 95 M HA -0.101 4.379 4.480 -0.000 0.000 0.394 95 M C 0.344 176.631 176.300 -0.021 0.000 1.611 95 M CA 1.006 56.300 55.300 -0.010 0.000 0.941 95 M CB -1.086 31.511 32.600 -0.006 0.000 2.094 95 M HN 0.660 nan 8.290 nan 0.000 0.485 96 E N 3.769 123.958 120.200 -0.018 0.000 2.445 96 E HA 0.838 5.188 4.350 -0.000 0.000 0.273 96 E C -1.350 175.235 176.600 -0.025 0.000 0.961 96 E CA -1.114 55.271 56.400 -0.024 0.000 0.807 96 E CB 1.768 31.456 29.700 -0.021 0.000 1.362 96 E HN 0.398 nan 8.360 nan 0.000 0.453 97 V N -3.354 116.540 119.914 -0.033 0.000 2.971 97 V HA 0.564 4.684 4.120 -0.000 0.000 0.309 97 V C -2.829 173.232 176.094 -0.054 0.000 1.130 97 V CA -2.554 59.722 62.300 -0.040 0.000 0.964 97 V CB 1.582 33.377 31.823 -0.046 0.000 1.029 97 V HN 0.663 nan 8.190 nan 0.000 0.427 98 P HA 0.257 nan 4.420 nan 0.000 0.267 98 P C -0.670 176.556 177.300 -0.124 0.000 1.205 98 P CA 0.262 63.317 63.100 -0.074 0.000 0.765 98 P CB 1.396 33.060 31.700 -0.060 0.000 0.828 99 V N 2.787 122.595 119.914 -0.177 0.000 2.823 99 V HA 0.916 5.036 4.120 -0.000 0.000 0.312 99 V C 0.646 176.410 176.094 -0.551 0.000 1.072 99 V CA -0.057 62.033 62.300 -0.349 0.000 0.937 99 V CB 1.808 33.445 31.823 -0.310 0.000 1.013 99 V HN 1.022 nan 8.190 nan 0.000 0.430 100 G N 2.161 110.459 108.800 -0.836 0.000 2.327 100 G HA2 0.258 4.218 3.960 -0.000 0.000 0.291 100 G HA3 0.258 4.218 3.960 -0.000 0.000 0.291 100 G C -0.273 174.453 174.900 -0.289 0.000 1.290 100 G CA -0.232 44.420 45.100 -0.746 0.000 0.857 100 G HN 0.439 nan 8.290 nan 0.000 0.520 101 E N -0.105 120.089 120.200 -0.010 0.000 2.230 101 E HA -0.025 4.325 4.350 -0.000 0.000 0.192 101 E C 2.432 179.072 176.600 0.068 0.000 0.987 101 E CA 1.587 58.081 56.400 0.157 0.000 0.841 101 E CB -0.374 29.427 29.700 0.168 0.000 0.783 101 E HN 0.535 nan 8.360 nan 0.000 0.481 102 T N 1.245 115.808 114.554 0.015 0.000 2.946 102 T HA -0.109 4.241 4.350 -0.000 0.000 0.271 102 T C 1.793 176.492 174.700 -0.002 0.000 1.104 102 T CA 0.557 62.658 62.100 0.002 0.000 1.114 102 T CB -0.078 68.782 68.868 -0.013 0.000 0.867 102 T HN -0.031 nan 8.240 nan 0.000 0.513 103 L N 0.584 121.808 121.223 0.002 0.000 2.217 103 L HA 0.199 4.539 4.340 -0.000 0.000 0.211 103 L C 1.128 178.008 176.870 0.016 0.000 1.107 103 L CA 0.408 55.251 54.840 0.004 0.000 0.783 103 L CB -0.711 41.349 42.059 0.002 0.000 0.919 103 L HN 0.349 nan 8.230 nan 0.000 0.442 104 I N 0.722 121.310 120.570 0.030 0.000 2.826 104 I HA 0.016 4.186 4.170 -0.000 0.000 0.295 104 I C 1.611 177.710 176.117 -0.030 0.000 1.213 104 I CA 1.087 62.384 61.300 -0.005 0.000 1.436 104 I CB -0.951 37.038 38.000 -0.019 0.000 1.348 104 I HN 0.521 nan 8.210 nan 0.000 0.570 105 G N 5.325 114.091 108.800 -0.057 0.000 2.162 105 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.260 105 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.260 105 G C 0.313 175.186 174.900 -0.044 0.000 0.976 105 G CA -0.188 44.873 45.100 -0.066 0.000 0.655 105 G HN 0.557 nan 8.290 nan 0.000 0.533 106 R N -0.556 119.926 120.500 -0.030 0.000 2.668 106 R HA 0.696 5.036 4.340 -0.000 0.000 0.279 106 R C -0.358 175.933 176.300 -0.015 0.000 0.976 106 R CA -0.961 55.127 56.100 -0.021 0.000 0.978 106 R CB 1.767 32.057 30.300 -0.015 0.000 1.133 106 R HN 0.179 nan 8.270 nan 0.000 0.484 107 V N 3.186 123.094 119.914 -0.011 0.000 2.334 107 V HA 0.346 4.466 4.120 -0.000 0.000 0.281 107 V C -0.092 176.000 176.094 -0.003 0.000 1.016 107 V CA -0.660 61.639 62.300 -0.002 0.000 0.832 107 V CB 1.465 33.288 31.823 0.000 0.000 0.999 107 V HN 0.569 nan 8.190 nan 0.000 0.439 108 V N 2.647 122.558 119.914 -0.004 0.000 2.864 108 V HA 0.759 4.879 4.120 -0.000 0.000 0.314 108 V C -0.201 175.887 176.094 -0.011 0.000 1.073 108 V CA -1.079 61.216 62.300 -0.009 0.000 0.956 108 V CB 2.108 33.922 31.823 -0.016 0.000 1.023 108 V HN 0.800 nan 8.190 nan 0.000 0.435 109 N N 2.873 121.567 118.700 -0.009 0.000 2.381 109 N HA 0.401 5.141 4.740 -0.000 0.000 0.254 109 N C -1.504 173.994 175.510 -0.019 0.000 1.264 109 N CA -1.759 51.285 53.050 -0.010 0.000 0.942 109 N CB -0.235 38.252 38.487 0.002 0.000 1.190 109 N HN 0.473 nan 8.380 nan 0.000 0.495 110 P HA -0.156 nan 4.420 nan 0.000 0.220 110 P C 0.821 178.105 177.300 -0.026 0.000 1.144 110 P CA 1.235 64.313 63.100 -0.036 0.000 0.800 110 P CB 0.186 31.862 31.700 -0.040 0.000 0.772 111 L N -1.344 119.873 121.223 -0.011 0.000 2.645 111 L HA 0.237 4.577 4.340 -0.000 0.000 0.234 111 L C 1.552 178.413 176.870 -0.014 0.000 1.165 111 L CA 0.512 55.348 54.840 -0.006 0.000 0.944 111 L CB -1.031 41.034 42.059 0.010 0.000 1.149 111 L HN 0.100 nan 8.230 nan 0.000 0.446 112 G N 0.010 108.796 108.800 -0.022 0.000 2.175 112 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.265 112 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.265 112 G C 0.254 175.143 174.900 -0.019 0.000 0.979 112 G CA 0.047 45.131 45.100 -0.027 0.000 0.663 112 G HN 0.497 nan 8.290 nan 0.000 0.533 113 Q N 1.376 121.170 119.800 -0.010 0.000 2.294 113 Q HA 0.386 4.726 4.340 -0.000 0.000 0.257 113 Q C -2.050 173.946 176.000 -0.006 0.000 0.955 113 Q CA -1.774 54.026 55.803 -0.005 0.000 0.936 113 Q CB 1.623 30.362 28.738 0.003 0.000 1.188 113 Q HN 0.322 nan 8.270 nan 0.000 0.420 114 P HA -0.065 nan 4.420 nan 0.000 0.269 114 P C 0.105 177.403 177.300 -0.003 0.000 1.209 114 P CA 0.140 63.236 63.100 -0.006 0.000 0.776 114 P CB 1.114 32.810 31.700 -0.008 0.000 0.876 115 V N -1.389 118.524 119.914 -0.002 0.000 3.382 115 V HA 0.109 4.229 4.120 -0.000 0.000 0.296 115 V C 1.157 177.251 176.094 0.000 0.000 1.529 115 V CA 0.497 62.798 62.300 0.001 0.000 1.048 115 V CB -0.201 31.624 31.823 0.004 0.000 0.878 115 V HN 0.383 nan 8.190 nan 0.000 0.442 116 D N 1.824 122.222 120.400 -0.003 0.000 2.323 116 D HA 0.183 4.823 4.640 -0.000 0.000 0.209 116 D C 1.764 178.060 176.300 -0.006 0.000 0.973 116 D CA 1.124 55.121 54.000 -0.005 0.000 0.874 116 D CB -0.115 40.679 40.800 -0.010 0.000 0.930 116 D HN 1.122 nan 8.370 nan 0.000 0.521 117 G N 0.458 109.255 108.800 -0.005 0.000 2.137 117 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.237 117 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.237 117 G C 0.534 175.431 174.900 -0.006 0.000 1.002 117 G CA 0.289 45.387 45.100 -0.004 0.000 0.702 117 G HN 0.419 nan 8.290 nan 0.000 0.515 118 L N 0.516 121.735 121.223 -0.008 0.000 2.688 118 L HA 0.471 4.811 4.340 -0.000 0.000 0.234 118 L C 1.504 178.369 176.870 -0.007 0.000 1.192 118 L CA 0.362 55.197 54.840 -0.009 0.000 0.984 118 L CB -0.762 41.290 42.059 -0.011 0.000 1.232 118 L HN 1.072 nan 8.230 nan 0.000 0.465 119 G N 1.147 109.944 108.800 -0.006 0.000 2.712 119 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.683 119 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.683 119 G C -2.712 172.185 174.900 -0.006 0.000 1.320 119 G CA -1.042 44.055 45.100 -0.005 0.000 0.847 119 G HN 0.098 nan 8.290 nan 0.000 0.553 120 P HA 0.365 nan 4.420 nan 0.000 0.268 120 P C -0.006 177.289 177.300 -0.008 0.000 1.208 120 P CA -0.107 62.989 63.100 -0.006 0.000 0.777 120 P CB 0.900 32.597 31.700 -0.005 0.000 0.875 121 V N 3.058 122.965 119.914 -0.011 0.000 2.348 121 V HA 0.100 4.220 4.120 -0.000 0.000 0.270 121 V C 0.839 176.924 176.094 -0.016 0.000 1.037 121 V CA -0.139 62.152 62.300 -0.016 0.000 0.872 121 V CB 0.130 31.940 31.823 -0.022 0.000 1.002 121 V HN 0.487 nan 8.190 nan 0.000 0.464 122 E N 3.821 124.014 120.200 -0.013 0.000 1.802 122 E HA 0.211 4.561 4.350 -0.000 0.000 0.265 122 E C 0.175 176.766 176.600 -0.015 0.000 1.168 122 E CA -0.216 56.178 56.400 -0.010 0.000 1.033 122 E CB 0.237 29.934 29.700 -0.004 0.000 1.095 122 E HN 0.806 nan 8.360 nan 0.000 0.436 123 T N -1.303 113.236 114.554 -0.024 0.000 2.895 123 T HA 0.253 4.603 4.350 -0.000 0.000 0.283 123 T C 0.736 175.423 174.700 -0.022 0.000 1.014 123 T CA -0.792 61.286 62.100 -0.036 0.000 1.037 123 T CB 2.130 70.959 68.868 -0.064 0.000 1.006 123 T HN 0.153 nan 8.240 nan 0.000 0.468 124 T N 0.023 114.569 114.554 -0.014 0.000 3.056 124 T HA 0.217 4.567 4.350 -0.000 0.000 0.243 124 T C 0.336 175.039 174.700 0.006 0.000 0.995 124 T CA 0.216 62.317 62.100 0.002 0.000 1.091 124 T CB -0.023 68.855 68.868 0.016 0.000 0.990 124 T HN 0.675 nan 8.240 nan 0.000 0.464 125 E N 1.293 121.501 120.200 0.014 0.000 2.318 125 E HA 0.505 4.855 4.350 -0.000 0.000 0.265 125 E C -0.879 175.717 176.600 -0.006 0.000 1.069 125 E CA -0.296 56.123 56.400 0.031 0.000 0.893 125 E CB 1.623 31.393 29.700 0.116 0.000 1.076 125 E HN 0.186 nan 8.360 nan 0.000 0.414 126 T N 1.129 115.685 114.554 0.003 0.000 2.903 126 T HA 0.489 4.839 4.350 -0.000 0.000 0.299 126 T C -0.879 173.818 174.700 -0.005 0.000 1.093 126 T CA -0.778 61.311 62.100 -0.017 0.000 1.002 126 T CB 1.895 70.753 68.868 -0.018 0.000 1.127 126 T HN 0.315 nan 8.240 nan 0.000 0.488 127 R N 1.864 122.353 120.500 -0.019 0.000 2.673 127 R HA 0.524 4.864 4.340 -0.000 0.000 0.281 127 R C -2.931 173.354 176.300 -0.025 0.000 0.991 127 R CA -2.269 53.823 56.100 -0.014 0.000 0.896 127 R CB 2.008 32.302 30.300 -0.010 0.000 1.201 127 R HN 0.339 nan 8.270 nan 0.000 0.457 128 P HA 0.086 nan 4.420 nan 0.000 0.276 128 P C 0.703 177.978 177.300 -0.041 0.000 1.230 128 P CA -0.101 62.980 63.100 -0.031 0.000 0.776 128 P CB 1.036 32.719 31.700 -0.029 0.000 0.888 129 I N 0.542 121.082 120.570 -0.050 0.000 2.099 129 I HA -0.161 4.009 4.170 -0.000 0.000 0.239 129 I C 1.355 177.413 176.117 -0.099 0.000 1.066 129 I CA 1.623 62.886 61.300 -0.062 0.000 1.324 129 I CB -0.198 37.756 38.000 -0.076 0.000 1.037 129 I HN 0.385 nan 8.210 nan 0.000 0.401 130 E N 1.626 121.741 120.200 -0.141 0.000 2.130 130 E HA 0.301 4.651 4.350 -0.000 0.000 0.284 130 E C -0.850 175.692 176.600 -0.097 0.000 1.018 130 E CA 0.091 56.382 56.400 -0.183 0.000 0.817 130 E CB 1.485 31.055 29.700 -0.218 0.000 1.078 130 E HN 0.044 nan 8.360 nan 0.000 0.396 131 S N 3.281 118.935 115.700 -0.077 0.000 2.627 131 S HA 0.491 4.961 4.470 -0.000 0.000 0.283 131 S C -0.432 174.150 174.600 -0.031 0.000 1.127 131 S CA -0.761 57.414 58.200 -0.043 0.000 0.863 131 S CB 1.293 64.474 63.200 -0.032 0.000 1.121 131 S HN 0.456 nan 8.310 nan 0.000 0.479 132 R N 1.164 121.655 120.500 -0.015 0.000 2.543 132 R HA 0.525 4.865 4.340 -0.000 0.000 0.277 132 R C 0.110 176.408 176.300 -0.004 0.000 1.074 132 R CA 0.057 56.155 56.100 -0.003 0.000 1.076 132 R CB 0.643 30.945 30.300 0.004 0.000 0.993 132 R HN 0.685 nan 8.270 nan 0.000 0.459 133 A N 5.035 127.857 122.820 0.003 0.000 2.302 133 A HA 0.418 4.738 4.320 -0.000 0.000 0.285 133 A C -2.134 175.452 177.584 0.004 0.000 1.105 133 A CA -1.589 50.448 52.037 0.001 0.000 0.816 133 A CB 0.238 19.240 19.000 0.003 0.000 1.067 133 A HN 0.497 nan 8.150 nan 0.000 0.489 134 P HA 0.132 nan 4.420 nan 0.000 0.263 134 P C 0.714 178.019 177.300 0.007 0.000 1.175 134 P CA 0.831 63.932 63.100 0.002 0.000 0.761 134 P CB 0.441 32.140 31.700 -0.001 0.000 0.794 135 G N 1.525 110.330 108.800 0.008 0.000 2.631 135 G HA2 0.074 4.034 3.960 -0.000 0.000 0.271 135 G HA3 0.074 4.034 3.960 -0.000 0.000 0.271 135 G C 1.231 176.139 174.900 0.013 0.000 1.302 135 G CA -0.585 44.522 45.100 0.012 0.000 1.002 135 G HN 0.312 nan 8.290 nan 0.000 0.519 136 V N 0.395 120.317 119.914 0.015 0.000 2.548 136 V HA -0.113 4.007 4.120 -0.000 0.000 0.249 136 V C 2.627 178.729 176.094 0.014 0.000 1.055 136 V CA 1.421 63.730 62.300 0.015 0.000 1.065 136 V CB -0.320 31.513 31.823 0.017 0.000 0.681 136 V HN 0.528 nan 8.190 nan 0.000 0.462 137 M N -0.856 118.752 119.600 0.013 0.000 2.501 137 M HA 0.071 4.551 4.480 -0.000 0.000 0.261 137 M C 1.389 177.696 176.300 0.012 0.000 1.129 137 M CA 0.866 56.174 55.300 0.012 0.000 1.126 137 M CB -1.045 31.562 32.600 0.011 0.000 1.359 137 M HN 0.290 nan 8.290 nan 0.000 0.471 138 D N 1.013 121.419 120.400 0.011 0.000 2.392 138 D HA -0.003 4.637 4.640 -0.000 0.000 0.228 138 D C 0.450 176.757 176.300 0.011 0.000 1.003 138 D CA 0.591 54.597 54.000 0.010 0.000 0.917 138 D CB 0.230 41.034 40.800 0.007 0.000 0.890 138 D HN 0.298 nan 8.370 nan 0.000 0.532 139 R N -0.311 120.197 120.500 0.012 0.000 2.923 139 R HA 0.705 5.045 4.340 -0.000 0.000 0.252 139 R C -0.182 176.130 176.300 0.021 0.000 1.130 139 R CA -0.968 55.140 56.100 0.012 0.000 1.043 139 R CB 1.850 32.154 30.300 0.007 0.000 1.205 139 R HN -0.126 nan 8.270 nan 0.000 0.495 140 R N -0.154 120.359 120.500 0.022 0.000 2.626 140 R HA 0.311 4.651 4.340 -0.000 0.000 0.274 140 R C -1.248 175.074 176.300 0.037 0.000 1.031 140 R CA -0.497 55.629 56.100 0.045 0.000 0.898 140 R CB 1.913 32.257 30.300 0.074 0.000 1.222 140 R HN 0.708 nan 8.270 nan 0.000 0.455 141 S N 1.945 117.684 115.700 0.066 0.000 2.558 141 S HA 0.081 4.551 4.470 -0.000 0.000 0.288 141 S C 0.469 175.093 174.600 0.039 0.000 1.318 141 S CA -0.387 57.849 58.200 0.061 0.000 1.056 141 S CB 0.703 63.956 63.200 0.087 0.000 0.853 141 S HN 0.478 nan 8.310 nan 0.000 0.505 142 V N 1.757 121.644 119.914 -0.044 0.000 2.686 142 V HA 0.487 4.607 4.120 -0.000 0.000 0.295 142 V C 0.348 176.383 176.094 -0.100 0.000 1.055 142 V CA 0.153 62.344 62.300 -0.181 0.000 1.050 142 V CB 0.354 32.099 31.823 -0.129 0.000 0.984 142 V HN 1.108 nan 8.190 nan 0.000 0.482 143 H N 1.017 120.079 119.070 -0.014 0.000 3.051 143 H HA 0.397 4.952 4.556 -0.000 0.000 0.218 143 H C 0.321 175.644 175.328 -0.007 0.000 0.898 143 H CA -0.062 55.982 56.048 -0.007 0.000 0.989 143 H CB -0.460 29.302 29.762 -0.000 0.000 1.343 143 H HN 0.574 nan 8.280 nan 0.000 0.499 144 E N 5.048 125.195 120.200 -0.089 0.000 2.376 144 E HA 0.155 4.505 4.350 -0.000 0.000 0.266 144 E C -2.146 174.429 176.600 -0.042 0.000 1.009 144 E CA -1.596 54.809 56.400 0.009 0.000 0.902 144 E CB 0.893 30.578 29.700 -0.025 0.000 0.972 144 E HN 0.350 nan 8.360 nan 0.000 0.439 145 P HA 0.173 nan 4.420 nan 0.000 0.312 145 P C -0.823 176.458 177.300 -0.031 0.000 1.308 145 P CA -0.487 62.602 63.100 -0.018 0.000 0.743 145 P CB 0.922 32.622 31.700 -0.000 0.000 1.364 146 L N -0.106 121.101 121.223 -0.026 0.000 2.491 146 L HA 0.241 4.581 4.340 -0.000 0.000 0.267 146 L C -0.552 176.309 176.870 -0.015 0.000 0.971 146 L CA -0.593 54.231 54.840 -0.027 0.000 0.857 146 L CB 1.628 43.666 42.059 -0.035 0.000 1.226 146 L HN 0.181 nan 8.230 nan 0.000 0.408 147 Q N 3.359 123.150 119.800 -0.016 0.000 2.344 147 Q HA 0.156 4.496 4.340 -0.000 0.000 0.253 147 Q C 0.741 176.735 176.000 -0.010 0.000 1.050 147 Q CA -0.047 55.748 55.803 -0.014 0.000 0.912 147 Q CB 1.309 30.034 28.738 -0.020 0.000 1.258 147 Q HN 0.645 nan 8.270 nan 0.000 0.443 148 T N 0.797 115.350 114.554 -0.001 0.000 3.055 148 T HA 0.005 4.355 4.350 -0.000 0.000 0.265 148 T C 1.251 175.954 174.700 0.006 0.000 1.111 148 T CA 0.891 62.996 62.100 0.008 0.000 1.118 148 T CB 0.026 68.904 68.868 0.016 0.000 0.909 148 T HN 0.927 nan 8.240 nan 0.000 0.501 149 G N 1.580 110.378 108.800 -0.004 0.000 2.196 149 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.268 149 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.268 149 G C 0.250 175.146 174.900 -0.005 0.000 0.975 149 G CA 0.134 45.226 45.100 -0.013 0.000 0.648 149 G HN 0.595 nan 8.290 nan 0.000 0.538 150 I N 1.180 121.753 120.570 0.005 0.000 2.307 150 I HA 0.196 4.366 4.170 -0.000 0.000 0.287 150 I C 1.677 177.802 176.117 0.012 0.000 1.054 150 I CA -0.727 60.578 61.300 0.009 0.000 1.218 150 I CB 0.960 38.967 38.000 0.013 0.000 1.398 150 I HN 0.025 nan 8.210 nan 0.000 0.475 151 K N 4.198 124.608 120.400 0.016 0.000 2.031 151 K HA -0.340 3.980 4.320 -0.000 0.000 0.228 151 K C 2.097 178.709 176.600 0.020 0.000 1.050 151 K CA 2.387 58.688 56.287 0.024 0.000 0.980 151 K CB -0.378 32.143 32.500 0.035 0.000 0.738 151 K HN 0.779 nan 8.250 nan 0.000 0.451 152 A N 0.884 123.713 122.820 0.016 0.000 1.997 152 A HA -0.212 4.108 4.320 -0.000 0.000 0.221 152 A C 2.147 179.742 177.584 0.018 0.000 1.172 152 A CA 1.850 53.896 52.037 0.015 0.000 0.645 152 A CB -0.670 18.337 19.000 0.012 0.000 0.813 152 A HN 0.327 nan 8.150 nan 0.000 0.454 153 I N -0.896 119.686 120.570 0.019 0.000 2.339 153 I HA -0.140 4.030 4.170 -0.000 0.000 0.245 153 I C 1.760 177.888 176.117 0.018 0.000 1.096 153 I CA 1.337 62.649 61.300 0.021 0.000 1.408 153 I CB -0.431 37.582 38.000 0.021 0.000 1.092 153 I HN 0.181 nan 8.210 nan 0.000 0.423 154 D N 1.170 121.579 120.400 0.015 0.000 2.218 154 D HA -0.122 4.518 4.640 -0.000 0.000 0.204 154 D C 2.072 178.381 176.300 0.015 0.000 0.976 154 D CA 1.348 55.355 54.000 0.013 0.000 0.853 154 D CB -0.002 40.804 40.800 0.009 0.000 0.939 154 D HN 0.355 nan 8.370 nan 0.000 0.481 155 A N -0.361 122.470 122.820 0.018 0.000 1.901 155 A HA 0.137 4.457 4.320 -0.000 0.000 0.210 155 A C 1.995 179.590 177.584 0.018 0.000 1.208 155 A CA 0.365 52.414 52.037 0.019 0.000 0.644 155 A CB -0.266 18.748 19.000 0.023 0.000 0.863 155 A HN 0.143 nan 8.150 nan 0.000 0.454 156 L N -0.523 120.711 121.223 0.019 0.000 2.298 156 L HA 0.090 4.430 4.340 -0.000 0.000 0.209 156 L C 0.169 177.053 176.870 0.023 0.000 1.084 156 L CA 0.457 55.309 54.840 0.020 0.000 0.816 156 L CB 0.280 42.351 42.059 0.020 0.000 0.967 156 L HN 0.153 nan 8.230 nan 0.000 0.460 157 V N -0.030 119.898 119.914 0.023 0.000 2.572 157 V HA 0.240 4.360 4.120 -0.000 0.000 0.274 157 V C -2.316 173.789 176.094 0.019 0.000 1.075 157 V CA -1.468 60.846 62.300 0.025 0.000 1.237 157 V CB -0.261 31.581 31.823 0.031 0.000 1.517 157 V HN 0.029 nan 8.190 nan 0.000 0.616 158 P HA 0.072 nan 4.420 nan 0.000 0.264 158 P C -0.414 176.889 177.300 0.006 0.000 1.179 158 P CA 0.751 63.858 63.100 0.010 0.000 0.763 158 P CB 1.287 32.994 31.700 0.010 0.000 0.806 159 I N 1.759 122.329 120.570 -0.001 0.000 2.436 159 I HA 0.439 4.609 4.170 -0.000 0.000 0.289 159 I C 0.884 176.986 176.117 -0.025 0.000 1.010 159 I CA -0.611 60.683 61.300 -0.010 0.000 1.098 159 I CB 2.212 40.208 38.000 -0.006 0.000 1.266 159 I HN 0.318 nan 8.210 nan 0.000 0.434 160 G N 4.407 113.184 108.800 -0.039 0.000 2.417 160 G HA2 0.550 4.510 3.960 -0.000 0.000 0.334 160 G HA3 0.550 4.510 3.960 -0.000 0.000 0.334 160 G C -0.503 174.336 174.900 -0.103 0.000 1.150 160 G CA -0.791 44.269 45.100 -0.066 0.000 0.923 160 G HN 0.543 nan 8.290 nan 0.000 0.485 161 R N 0.286 120.695 120.500 -0.152 0.000 2.446 161 R HA 0.382 4.722 4.340 -0.000 0.000 0.325 161 R C 1.230 177.400 176.300 -0.218 0.000 0.997 161 R CA 1.546 57.517 56.100 -0.215 0.000 1.010 161 R CB 0.385 30.481 30.300 -0.341 0.000 0.946 161 R HN 1.085 nan 8.270 nan 0.000 0.422 162 G N 1.572 110.275 108.800 -0.162 0.000 2.175 162 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.182 162 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.182 162 G C -0.041 174.807 174.900 -0.086 0.000 1.003 162 G CA -0.394 44.631 45.100 -0.125 0.000 0.666 162 G HN 0.559 nan 8.290 nan 0.000 0.506 163 Q N -0.186 119.567 119.800 -0.078 0.000 2.193 163 Q HA 0.738 5.078 4.340 -0.000 0.000 0.246 163 Q C -0.244 175.727 176.000 -0.048 0.000 0.959 163 Q CA -0.905 54.866 55.803 -0.054 0.000 0.904 163 Q CB 0.794 29.506 28.738 -0.044 0.000 1.238 163 Q HN 0.346 nan 8.270 nan 0.000 0.469 164 R N 2.008 122.484 120.500 -0.039 0.000 2.371 164 R HA 0.225 4.565 4.340 -0.000 0.000 0.312 164 R C -1.415 174.869 176.300 -0.027 0.000 0.980 164 R CA -0.512 55.562 56.100 -0.043 0.000 0.867 164 R CB 1.385 31.654 30.300 -0.052 0.000 1.163 164 R HN 0.391 nan 8.270 nan 0.000 0.492 165 E N 3.480 123.670 120.200 -0.018 0.000 2.102 165 E HA 0.159 4.509 4.350 -0.000 0.000 0.263 165 E C -1.238 175.367 176.600 0.008 0.000 0.894 165 E CA -0.884 55.516 56.400 -0.000 0.000 0.746 165 E CB 0.862 30.567 29.700 0.009 0.000 1.129 165 E HN 0.407 nan 8.360 nan 0.000 0.416 166 L N 6.097 127.319 121.223 -0.001 0.000 2.410 166 L HA 0.331 4.671 4.340 -0.000 0.000 0.273 166 L C -0.527 176.346 176.870 0.005 0.000 1.152 166 L CA 0.109 54.948 54.840 -0.001 0.000 0.855 166 L CB 0.269 42.313 42.059 -0.025 0.000 1.129 166 L HN 0.587 nan 8.230 nan 0.000 0.463 167 I N 4.769 125.360 120.570 0.034 0.000 2.382 167 I HA 0.479 4.649 4.170 -0.000 0.000 0.285 167 I C -0.669 175.367 176.117 -0.136 0.000 1.007 167 I CA -0.533 60.741 61.300 -0.043 0.000 1.142 167 I CB 1.285 39.265 38.000 -0.033 0.000 1.289 167 I HN 0.644 nan 8.210 nan 0.000 0.453 168 I N 5.109 125.547 120.570 -0.221 0.000 2.569 168 I HA 0.919 5.089 4.170 -0.000 0.000 0.296 168 I C -0.092 175.766 176.117 -0.432 0.000 1.028 168 I CA -0.056 61.061 61.300 -0.305 0.000 1.082 168 I CB 2.075 39.890 38.000 -0.308 0.000 1.264 168 I HN 0.922 nan 8.210 nan 0.000 0.429 169 G N 4.401 112.999 108.800 -0.336 0.000 2.356 169 G HA2 0.214 4.174 3.960 -0.000 0.000 0.294 169 G HA3 0.214 4.174 3.960 -0.000 0.000 0.294 169 G C -2.088 172.719 174.900 -0.155 0.000 1.423 169 G CA -0.820 44.122 45.100 -0.264 0.000 0.806 169 G HN 0.548 nan 8.290 nan 0.000 0.527 170 D N -0.124 120.230 120.400 -0.077 0.000 2.371 170 D HA 0.411 5.051 4.640 -0.000 0.000 0.242 170 D C 0.971 177.218 176.300 -0.089 0.000 1.218 170 D CA -0.251 53.722 54.000 -0.045 0.000 0.945 170 D CB 0.696 41.505 40.800 0.015 0.000 1.137 170 D HN 0.516 nan 8.370 nan 0.000 0.464 171 R N 1.237 121.703 120.500 -0.057 0.000 2.522 171 R HA -0.040 4.300 4.340 -0.000 0.000 0.284 171 R C -0.194 176.037 176.300 -0.115 0.000 1.032 171 R CA 0.275 56.332 56.100 -0.072 0.000 1.049 171 R CB 0.109 30.397 30.300 -0.020 0.000 0.956 171 R HN 0.658 nan 8.270 nan 0.000 0.422 172 Q N 1.584 121.256 119.800 -0.213 0.000 2.501 172 Q HA -0.132 4.208 4.340 -0.000 0.000 0.275 172 Q C -0.467 174.990 176.000 -0.904 0.000 1.074 172 Q CA 1.359 56.918 55.803 -0.406 0.000 0.974 172 Q CB -1.439 27.208 28.738 -0.153 0.000 1.307 172 Q HN 0.946 nan 8.270 nan 0.000 0.513 173 T N -4.209 109.949 114.554 -0.661 0.000 3.069 173 T HA 0.484 4.834 4.350 -0.000 0.000 0.252 173 T C 1.214 175.605 174.700 -0.516 0.000 1.053 173 T CA 0.624 62.345 62.100 -0.632 0.000 0.964 173 T CB 1.055 69.769 68.868 -0.258 0.000 1.005 173 T HN 1.093 nan 8.240 nan 0.000 0.532 174 G N 1.921 110.422 108.800 -0.499 0.000 2.142 174 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.225 174 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.225 174 G C 0.641 175.416 174.900 -0.208 0.000 1.015 174 G CA 0.331 45.295 45.100 -0.227 0.000 0.716 174 G HN 0.531 nan 8.290 nan 0.000 0.508 175 K N -0.613 119.593 120.400 -0.323 0.000 2.025 175 K HA -0.025 4.295 4.320 -0.000 0.000 0.207 175 K C 2.665 178.993 176.600 -0.454 0.000 1.049 175 K CA 1.786 57.756 56.287 -0.528 0.000 0.933 175 K CB -0.255 31.754 32.500 -0.818 0.000 0.714 175 K HN 0.337 nan 8.250 nan 0.000 0.438 176 T N 1.084 115.524 114.554 -0.189 0.000 2.708 176 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 176 T C 2.133 176.893 174.700 0.099 0.000 1.037 176 T CA 1.803 63.996 62.100 0.155 0.000 1.146 176 T CB -0.334 68.636 68.868 0.170 0.000 0.865 176 T HN 0.340 nan 8.240 nan 0.000 0.435 177 S N 1.725 117.422 115.700 -0.006 0.000 2.365 177 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 177 S C 2.207 176.808 174.600 0.002 0.000 1.039 177 S CA 1.249 59.433 58.200 -0.027 0.000 1.033 177 S CB -1.178 61.974 63.200 -0.080 0.000 0.887 177 S HN 0.306 nan 8.310 nan 0.000 0.447 178 V N 2.934 122.846 119.914 -0.003 0.000 2.282 178 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 178 V C 3.053 179.200 176.094 0.088 0.000 1.057 178 V CA 1.960 64.275 62.300 0.025 0.000 1.032 178 V CB -1.546 30.277 31.823 0.000 0.000 0.645 178 V HN 0.680 nan 8.190 nan 0.000 0.447 179 A N -0.495 122.438 122.820 0.187 0.000 1.969 179 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 179 A C 2.127 179.785 177.584 0.124 0.000 1.169 179 A CA 1.469 53.644 52.037 0.229 0.000 0.635 179 A CB -0.410 18.847 19.000 0.429 0.000 0.810 179 A HN 0.410 nan 8.150 nan 0.000 0.445 180 I N 0.678 121.295 120.570 0.079 0.000 2.133 180 I HA -0.187 3.983 4.170 -0.000 0.000 0.238 180 I C 1.934 178.073 176.117 0.036 0.000 1.074 180 I CA 1.604 62.910 61.300 0.010 0.000 1.342 180 I CB -1.592 36.409 38.000 0.002 0.000 1.053 180 I HN 0.268 nan 8.210 nan 0.000 0.404 181 D N 0.656 121.089 120.400 0.054 0.000 2.116 181 D HA -0.168 4.472 4.640 -0.000 0.000 0.193 181 D C 2.170 178.504 176.300 0.056 0.000 0.998 181 D CA 1.897 55.934 54.000 0.062 0.000 0.836 181 D CB -0.513 40.312 40.800 0.042 0.000 0.951 181 D HN 0.271 nan 8.370 nan 0.000 0.449 182 T N 1.053 115.641 114.554 0.056 0.000 2.699 182 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 182 T C 2.184 176.924 174.700 0.067 0.000 1.036 182 T CA 0.747 62.879 62.100 0.054 0.000 1.147 182 T CB -0.261 68.644 68.868 0.063 0.000 0.862 182 T HN 0.194 nan 8.240 nan 0.000 0.446 183 I N 0.249 120.871 120.570 0.087 0.000 2.252 183 I HA -0.112 4.058 4.170 -0.000 0.000 0.245 183 I C 2.248 178.495 176.117 0.217 0.000 1.102 183 I CA 1.225 62.612 61.300 0.144 0.000 1.385 183 I CB -0.355 37.707 38.000 0.103 0.000 1.064 183 I HN 0.230 nan 8.210 nan 0.000 0.414 184 I N 0.669 121.323 120.570 0.140 0.000 2.208 184 I HA -0.361 3.809 4.170 -0.000 0.000 0.245 184 I C 2.080 178.275 176.117 0.131 0.000 1.097 184 I CA 1.581 62.981 61.300 0.166 0.000 1.363 184 I CB -0.541 37.518 38.000 0.098 0.000 1.051 184 I HN 0.327 nan 8.210 nan 0.000 0.413 185 N N 0.969 119.707 118.700 0.063 0.000 2.567 185 N HA -0.118 4.621 4.740 -0.000 0.000 0.195 185 N C 0.531 176.005 175.510 -0.059 0.000 1.242 185 N CA 0.172 53.223 53.050 0.003 0.000 0.884 185 N CB 0.243 38.730 38.487 0.001 0.000 1.007 185 N HN 0.340 nan 8.380 nan 0.000 0.450 186 Q N 0.206 119.938 119.800 -0.113 0.000 2.201 186 Q HA 0.101 4.441 4.340 -0.000 0.000 0.236 186 Q C 0.669 176.277 176.000 -0.654 0.000 0.857 186 Q CA -0.085 55.538 55.803 -0.301 0.000 1.025 186 Q CB 0.791 29.387 28.738 -0.236 0.000 1.124 186 Q HN 0.313 nan 8.270 nan 0.000 0.473 187 K N 0.455 120.597 120.400 -0.429 0.000 2.211 187 K HA -0.044 4.276 4.320 -0.000 0.000 0.201 187 K C 0.566 177.020 176.600 -0.242 0.000 1.052 187 K CA 0.654 56.702 56.287 -0.399 0.000 0.973 187 K CB 0.641 33.071 32.500 -0.116 0.000 0.766 187 K HN 0.112 nan 8.250 nan 0.000 0.466 188 D N 1.028 121.325 120.400 -0.170 0.000 2.075 188 D HA -0.113 4.527 4.640 -0.000 0.000 0.196 188 D C 0.626 176.852 176.300 -0.123 0.000 0.985 188 D CA 1.118 55.047 54.000 -0.117 0.000 0.834 188 D CB -0.174 40.573 40.800 -0.088 0.000 0.987 188 D HN 0.113 nan 8.370 nan 0.000 0.452 189 Q N 0.752 120.475 119.800 -0.128 0.000 2.524 189 Q HA 0.127 4.467 4.340 -0.000 0.000 0.246 189 Q C -0.039 175.882 176.000 -0.131 0.000 1.063 189 Q CA 0.213 55.955 55.803 -0.102 0.000 0.945 189 Q CB 0.272 28.964 28.738 -0.077 0.000 1.292 189 Q HN -0.050 nan 8.270 nan 0.000 0.518 190 N N 1.250 119.900 118.700 -0.084 0.000 2.767 190 N HA 0.198 4.938 4.740 -0.000 0.000 0.238 190 N C -1.282 174.194 175.510 -0.056 0.000 1.083 190 N CA 0.055 53.049 53.050 -0.094 0.000 0.964 190 N CB 0.208 38.637 38.487 -0.095 0.000 1.252 190 N HN 0.353 nan 8.380 nan 0.000 0.512 191 M N 1.908 121.447 119.600 -0.102 0.000 2.464 191 M HA 0.462 4.942 4.480 -0.000 0.000 0.308 191 M C -0.437 175.838 176.300 -0.042 0.000 1.127 191 M CA -0.487 54.785 55.300 -0.046 0.000 0.913 191 M CB 2.055 34.621 32.600 -0.058 0.000 1.689 191 M HN 0.140 nan 8.290 nan 0.000 0.445 192 I N 2.533 123.092 120.570 -0.017 0.000 2.412 192 I HA 0.239 4.409 4.170 -0.000 0.000 0.279 192 I C -0.313 175.840 176.117 0.060 0.000 1.063 192 I CA -0.439 60.832 61.300 -0.049 0.000 1.193 192 I CB 0.764 38.541 38.000 -0.372 0.000 1.370 192 I HN 0.582 nan 8.210 nan 0.000 0.479 193 C N 6.500 125.894 119.300 0.157 0.000 2.676 193 C HA 0.370 4.830 4.460 -0.000 0.000 0.416 193 C C 0.548 175.590 174.990 0.087 0.000 1.299 193 C CA -0.203 58.894 59.018 0.131 0.000 2.048 193 C CB -0.316 27.541 27.740 0.195 0.000 2.713 193 C HN 0.509 nan 8.230 nan 0.000 0.624 194 I N 2.232 122.847 120.570 0.076 0.000 2.512 194 I HA 0.233 4.403 4.170 -0.000 0.000 0.287 194 I C -1.079 175.071 176.117 0.054 0.000 1.069 194 I CA -0.428 60.907 61.300 0.059 0.000 1.056 194 I CB 1.220 39.245 38.000 0.041 0.000 1.229 194 I HN 0.646 nan 8.210 nan 0.000 0.429 195 Y N 7.341 127.596 120.300 -0.076 0.000 2.334 195 Y HA 0.586 5.136 4.550 0.000 0.000 0.336 195 Y C -0.922 174.907 175.900 -0.119 0.000 0.960 195 Y CA -0.707 57.327 58.100 -0.109 0.000 1.164 195 Y CB 1.370 39.778 38.460 -0.087 0.000 1.155 195 Y HN 0.248 nan 8.280 nan 0.000 0.478 196 V N 6.059 125.590 119.914 -0.639 0.000 2.284 196 V HA 0.615 4.735 4.120 -0.000 0.000 0.274 196 V C 0.019 175.677 176.094 -0.725 0.000 1.023 196 V CA -0.819 61.158 62.300 -0.539 0.000 0.808 196 V CB 0.634 32.238 31.823 -0.365 0.000 1.035 196 V HN 0.954 nan 8.190 nan 0.000 0.445 197 A N 6.386 128.795 122.820 -0.685 0.000 2.316 197 A HA 0.785 5.105 4.320 -0.000 0.000 0.311 197 A C -0.357 177.091 177.584 -0.226 0.000 1.339 197 A CA -0.200 51.557 52.037 -0.466 0.000 0.960 197 A CB -0.216 18.656 19.000 -0.213 0.000 1.152 197 A HN 0.760 nan 8.150 nan 0.000 0.547 198 I N 2.028 122.480 120.570 -0.197 0.000 2.331 198 I HA 0.524 4.694 4.170 -0.000 0.000 0.292 198 I C 1.361 177.449 176.117 -0.048 0.000 0.998 198 I CA 0.801 62.031 61.300 -0.116 0.000 1.267 198 I CB 1.490 39.412 38.000 -0.130 0.000 1.386 198 I HN 0.909 nan 8.210 nan 0.000 0.476 199 G N 3.315 112.107 108.800 -0.013 0.000 2.189 199 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.267 199 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.267 199 G C 0.542 175.456 174.900 0.024 0.000 0.975 199 G CA -0.210 44.900 45.100 0.016 0.000 0.644 199 G HN 0.544 nan 8.290 nan 0.000 0.537 200 Q N -0.012 119.800 119.800 0.020 0.000 2.500 200 Q HA 0.391 4.731 4.340 -0.000 0.000 0.215 200 Q C 0.462 176.487 176.000 0.042 0.000 1.062 200 Q CA 0.192 56.020 55.803 0.042 0.000 0.996 200 Q CB 0.384 29.159 28.738 0.063 0.000 1.239 200 Q HN 0.446 nan 8.270 nan 0.000 0.578 201 K N 1.212 121.642 120.400 0.049 0.000 2.227 201 K HA 0.039 4.359 4.320 -0.000 0.000 0.280 201 K C 0.767 177.394 176.600 0.045 0.000 1.041 201 K CA -0.146 56.166 56.287 0.043 0.000 0.905 201 K CB 0.953 33.477 32.500 0.040 0.000 1.068 201 K HN 0.441 nan 8.250 nan 0.000 0.470 202 E N 1.690 121.913 120.200 0.037 0.000 2.114 202 E HA -0.258 4.092 4.350 -0.000 0.000 0.199 202 E C 0.990 177.610 176.600 0.034 0.000 1.008 202 E CA 2.322 58.743 56.400 0.035 0.000 0.810 202 E CB 0.117 29.833 29.700 0.026 0.000 0.739 202 E HN 0.668 nan 8.360 nan 0.000 0.456 203 S N -0.636 115.082 115.700 0.031 0.000 2.359 203 S HA -0.240 4.230 4.470 -0.000 0.000 0.222 203 S C 2.175 176.794 174.600 0.031 0.000 1.038 203 S CA 1.816 60.032 58.200 0.027 0.000 1.051 203 S CB -1.124 62.092 63.200 0.027 0.000 0.944 203 S HN 0.325 nan 8.310 nan 0.000 0.433 204 T N 2.514 117.092 114.554 0.040 0.000 2.720 204 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 204 T C 1.984 176.712 174.700 0.048 0.000 1.037 204 T CA 1.391 63.518 62.100 0.045 0.000 1.144 204 T CB -0.678 68.225 68.868 0.059 0.000 0.864 204 T HN 0.215 nan 8.240 nan 0.000 0.444 205 V N 1.870 121.825 119.914 0.067 0.000 2.255 205 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 205 V C 2.912 179.023 176.094 0.029 0.000 1.051 205 V CA 1.858 64.207 62.300 0.082 0.000 1.018 205 V CB -1.394 30.488 31.823 0.098 0.000 0.641 205 V HN 0.557 nan 8.190 nan 0.000 0.445 206 A N 0.878 123.710 122.820 0.021 0.000 1.873 206 A HA -0.322 3.998 4.320 -0.000 0.000 0.218 206 A C 2.544 180.122 177.584 -0.011 0.000 1.193 206 A CA 3.340 55.380 52.037 0.004 0.000 0.629 206 A CB -1.333 17.672 19.000 0.008 0.000 0.826 206 A HN 0.685 nan 8.150 nan 0.000 0.447 207 T N -2.640 111.912 114.554 -0.004 0.000 2.788 207 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 207 T C 1.703 176.382 174.700 -0.036 0.000 1.044 207 T CA 1.642 63.737 62.100 -0.009 0.000 1.139 207 T CB -0.873 68.001 68.868 0.009 0.000 0.867 207 T HN 0.079 nan 8.240 nan 0.000 0.454 208 V N 1.572 121.453 119.914 -0.054 0.000 2.237 208 V HA -0.115 4.005 4.120 -0.000 0.000 0.245 208 V C 2.890 178.889 176.094 -0.158 0.000 1.046 208 V CA 1.766 63.990 62.300 -0.128 0.000 1.007 208 V CB -0.820 30.872 31.823 -0.218 0.000 0.638 208 V HN 0.522 nan 8.190 nan 0.000 0.445 209 V N -0.509 119.329 119.914 -0.126 0.000 2.688 209 V HA -0.218 3.902 4.120 -0.000 0.000 0.256 209 V C 2.382 178.420 176.094 -0.093 0.000 1.084 209 V CA 2.261 64.494 62.300 -0.112 0.000 1.103 209 V CB -0.363 31.423 31.823 -0.062 0.000 0.688 209 V HN 0.606 nan 8.190 nan 0.000 0.480 210 E N 0.113 120.269 120.200 -0.073 0.000 2.112 210 E HA -0.127 4.223 4.350 -0.000 0.000 0.190 210 E C 2.306 178.864 176.600 -0.071 0.000 0.979 210 E CA 1.569 57.934 56.400 -0.057 0.000 0.814 210 E CB -0.192 29.488 29.700 -0.034 0.000 0.762 210 E HN 0.785 nan 8.360 nan 0.000 0.460 211 T N 0.027 114.516 114.554 -0.109 0.000 2.995 211 T HA -0.020 4.330 4.350 -0.000 0.000 0.269 211 T C 2.037 176.597 174.700 -0.233 0.000 1.091 211 T CA 0.379 62.366 62.100 -0.188 0.000 1.128 211 T CB -0.025 68.654 68.868 -0.316 0.000 0.891 211 T HN 0.027 nan 8.240 nan 0.000 0.492 212 L N 0.666 121.770 121.223 -0.198 0.000 2.005 212 L HA 0.048 4.388 4.340 -0.000 0.000 0.207 212 L C 3.329 180.139 176.870 -0.101 0.000 1.072 212 L CA 1.564 56.293 54.840 -0.184 0.000 0.744 212 L CB -1.190 40.749 42.059 -0.200 0.000 0.895 212 L HN 0.417 nan 8.230 nan 0.000 0.433 213 A N 0.343 123.112 122.820 -0.086 0.000 1.917 213 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 213 A C 2.296 179.870 177.584 -0.017 0.000 1.182 213 A CA 2.030 54.032 52.037 -0.059 0.000 0.633 213 A CB -0.453 18.516 19.000 -0.052 0.000 0.819 213 A HN 0.350 nan 8.150 nan 0.000 0.448 214 K N -1.223 119.193 120.400 0.027 0.000 2.032 214 K HA -0.182 4.138 4.320 -0.000 0.000 0.209 214 K C 1.464 178.081 176.600 0.028 0.000 1.048 214 K CA 1.761 58.078 56.287 0.050 0.000 0.927 214 K CB -0.344 32.228 32.500 0.121 0.000 0.712 214 K HN 0.649 nan 8.250 nan 0.000 0.441 215 H N -0.537 118.465 119.070 -0.115 0.000 2.566 215 H HA 0.164 4.720 4.556 -0.000 0.000 0.280 215 H C 0.491 175.795 175.328 -0.040 0.000 1.042 215 H CA 0.358 56.358 56.048 -0.081 0.000 1.168 215 H CB -0.293 29.411 29.762 -0.097 0.000 1.340 215 H HN 0.423 nan 8.280 nan 0.000 0.597 216 G N 0.590 109.410 108.800 0.033 0.000 2.372 216 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.297 216 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.297 216 G C 0.884 175.791 174.900 0.013 0.000 1.005 216 G CA 0.555 45.662 45.100 0.012 0.000 1.173 216 G HN 0.653 nan 8.290 nan 0.000 0.511 217 A N -0.310 122.423 122.820 -0.144 0.000 2.070 217 A HA 0.549 4.869 4.320 -0.000 0.000 0.202 217 A C -0.041 177.056 177.584 -0.811 0.000 1.277 217 A CA 0.997 52.703 52.037 -0.551 0.000 0.872 217 A CB 0.147 18.945 19.000 -0.338 0.000 0.933 217 A HN 0.360 nan 8.150 nan 0.000 0.475 218 P HA -0.030 nan 4.420 nan 0.000 0.244 218 P C 0.016 177.162 177.300 -0.256 0.000 1.211 218 P CA 0.792 63.708 63.100 -0.306 0.000 0.760 218 P CB 0.033 31.630 31.700 -0.171 0.000 0.961 219 D N -1.505 118.731 120.400 -0.274 0.000 2.277 219 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 219 D C 0.898 177.178 176.300 -0.033 0.000 0.962 219 D CA 1.163 55.109 54.000 -0.090 0.000 0.865 219 D CB -0.017 40.801 40.800 0.031 0.000 0.939 219 D HN 0.447 nan 8.370 nan 0.000 0.510 220 Y N -1.905 118.361 120.300 -0.057 0.000 2.738 220 Y HA 0.458 5.008 4.550 -0.000 0.000 0.249 220 Y C -0.184 175.670 175.900 -0.076 0.000 1.157 220 Y CA -0.759 57.290 58.100 -0.084 0.000 1.189 220 Y CB 0.003 38.414 38.460 -0.082 0.000 1.262 220 Y HN -0.379 nan 8.280 nan 0.000 0.554 221 T N 3.502 117.886 114.554 -0.283 0.000 2.876 221 T HA 0.620 4.970 4.350 -0.000 0.000 0.289 221 T C -0.621 174.031 174.700 -0.080 0.000 1.014 221 T CA -0.529 61.475 62.100 -0.159 0.000 0.986 221 T CB 2.200 70.919 68.868 -0.249 0.000 1.021 221 T HN 0.079 nan 8.240 nan 0.000 0.458 222 I N 1.939 122.505 120.570 -0.007 0.000 2.603 222 I HA 0.605 4.775 4.170 -0.000 0.000 0.300 222 I C -0.582 175.551 176.117 0.028 0.000 1.017 222 I CA -1.137 60.171 61.300 0.013 0.000 1.098 222 I CB 1.863 39.892 38.000 0.049 0.000 1.279 222 I HN 0.312 nan 8.210 nan 0.000 0.437 223 V N 5.394 125.324 119.914 0.026 0.000 2.447 223 V HA 0.304 4.424 4.120 -0.000 0.000 0.292 223 V C -0.074 176.036 176.094 0.027 0.000 1.021 223 V CA -0.653 61.687 62.300 0.066 0.000 0.850 223 V CB 2.126 34.009 31.823 0.100 0.000 1.005 223 V HN 0.456 nan 8.190 nan 0.000 0.426 224 V N 3.870 123.777 119.914 -0.012 0.000 2.465 224 V HA 0.509 4.629 4.120 -0.000 0.000 0.279 224 V C 0.444 176.503 176.094 -0.059 0.000 1.045 224 V CA -0.036 62.235 62.300 -0.047 0.000 0.938 224 V CB 1.692 33.465 31.823 -0.084 0.000 0.986 224 V HN 0.868 nan 8.190 nan 0.000 0.467 225 T N 3.824 118.357 114.554 -0.035 0.000 2.824 225 T HA 0.700 5.050 4.350 -0.000 0.000 0.282 225 T C -0.320 174.363 174.700 -0.029 0.000 0.993 225 T CA -0.058 62.026 62.100 -0.027 0.000 0.967 225 T CB 1.237 70.112 68.868 0.011 0.000 0.960 225 T HN 0.953 nan 8.240 nan 0.000 0.441 226 A N 3.860 126.658 122.820 -0.037 0.000 3.216 226 A HA 0.590 4.910 4.320 -0.000 0.000 0.321 226 A C 0.419 178.001 177.584 -0.003 0.000 1.042 226 A CA -0.588 51.438 52.037 -0.019 0.000 0.838 226 A CB 0.213 19.192 19.000 -0.034 0.000 1.136 226 A HN 0.847 nan 8.150 nan 0.000 0.483 227 S N 0.922 116.628 115.700 0.011 0.000 2.566 227 S HA 0.317 4.787 4.470 -0.000 0.000 0.280 227 S C 1.738 176.355 174.600 0.028 0.000 1.343 227 S CA 0.320 58.533 58.200 0.021 0.000 1.036 227 S CB 0.681 63.896 63.200 0.025 0.000 0.866 227 S HN 1.679 nan 8.310 nan 0.000 0.526 228 A N 3.557 126.395 122.820 0.031 0.000 2.009 228 A HA -0.153 4.167 4.320 -0.000 0.000 0.222 228 A C 2.327 179.934 177.584 0.039 0.000 1.175 228 A CA 2.601 54.659 52.037 0.036 0.000 0.651 228 A CB -1.439 17.582 19.000 0.035 0.000 0.815 228 A HN 1.165 nan 8.150 nan 0.000 0.459 229 S N -0.669 115.052 115.700 0.036 0.000 2.414 229 S HA -0.009 4.461 4.470 -0.000 0.000 0.227 229 S C 0.917 175.545 174.600 0.046 0.000 1.022 229 S CA 0.164 58.386 58.200 0.037 0.000 0.958 229 S CB -0.240 62.977 63.200 0.029 0.000 0.797 229 S HN 0.611 nan 8.310 nan 0.000 0.493 230 Q N 2.754 122.582 119.800 0.046 0.000 2.392 230 Q HA 0.278 4.618 4.340 -0.000 0.000 0.262 230 Q C -2.375 173.669 176.000 0.074 0.000 1.003 230 Q CA -1.653 54.184 55.803 0.057 0.000 0.888 230 Q CB -0.504 28.263 28.738 0.048 0.000 1.260 230 Q HN 0.276 nan 8.270 nan 0.000 0.435 231 P HA -0.023 nan 4.420 nan 0.000 0.268 231 P C 0.037 177.392 177.300 0.092 0.000 1.205 231 P CA 0.285 63.444 63.100 0.098 0.000 0.771 231 P CB 0.607 32.378 31.700 0.118 0.000 0.858 232 A N 5.405 128.275 122.820 0.084 0.000 1.929 232 A HA -0.206 4.114 4.320 -0.000 0.000 0.221 232 A C -0.364 177.327 177.584 0.177 0.000 1.211 232 A CA 2.273 54.378 52.037 0.113 0.000 0.657 232 A CB -2.608 16.442 19.000 0.082 0.000 0.827 232 A HN 0.459 nan 8.150 nan 0.000 0.462 233 P HA -0.198 nan 4.420 nan 0.000 0.216 233 P C 1.533 178.985 177.300 0.252 0.000 1.157 233 P CA 1.267 64.520 63.100 0.255 0.000 0.880 233 P CB -0.186 31.616 31.700 0.170 0.000 0.791 234 L N -2.198 119.116 121.223 0.150 0.000 2.017 234 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 234 L C 2.337 179.249 176.870 0.070 0.000 1.073 234 L CA 1.345 56.240 54.840 0.092 0.000 0.745 234 L CB -1.075 41.022 42.059 0.063 0.000 0.894 234 L HN -0.009 nan 8.230 nan 0.000 0.432 235 L N -0.894 120.387 121.223 0.096 0.000 2.083 235 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 235 L C 2.396 179.318 176.870 0.086 0.000 1.083 235 L CA 1.592 56.472 54.840 0.066 0.000 0.752 235 L CB -0.810 41.301 42.059 0.087 0.000 0.899 235 L HN 0.151 nan 8.230 nan 0.000 0.433 236 F N -0.502 119.484 119.950 0.061 0.000 2.134 236 F HA -0.221 4.306 4.527 -0.000 0.000 0.299 236 F C 2.051 177.905 175.800 0.091 0.000 1.097 236 F CA 1.485 59.540 58.000 0.091 0.000 1.264 236 F CB -0.282 38.818 39.000 0.166 0.000 1.001 236 F HN -0.019 nan 8.300 nan 0.000 0.479 237 L N 0.546 121.587 121.223 -0.304 0.000 2.131 237 L HA 0.154 4.494 4.340 -0.000 0.000 0.206 237 L C 2.716 179.455 176.870 -0.218 0.000 1.087 237 L CA 1.519 56.169 54.840 -0.317 0.000 0.767 237 L CB -1.548 40.433 42.059 -0.130 0.000 0.917 237 L HN 0.234 nan 8.230 nan 0.000 0.441 238 A N 0.574 123.287 122.820 -0.179 0.000 1.944 238 A HA -0.264 4.056 4.320 -0.000 0.000 0.222 238 A C -0.057 177.360 177.584 -0.278 0.000 1.237 238 A CA 2.662 54.586 52.037 -0.189 0.000 0.668 238 A CB -2.175 16.728 19.000 -0.162 0.000 0.830 238 A HN 0.370 nan 8.150 nan 0.000 0.471 239 P HA -0.128 nan 4.420 nan 0.000 0.216 239 P C 0.948 177.960 177.300 -0.479 0.000 1.153 239 P CA 1.302 64.085 63.100 -0.529 0.000 0.848 239 P CB -0.223 31.021 31.700 -0.761 0.000 0.787 240 Y N 0.140 120.284 120.300 -0.261 0.000 2.200 240 Y HA -0.055 4.495 4.550 0.000 0.000 0.290 240 Y C 2.645 178.439 175.900 -0.178 0.000 1.137 240 Y CA 0.993 58.954 58.100 -0.232 0.000 1.163 240 Y CB -1.798 36.490 38.460 -0.288 0.000 0.988 240 Y HN -0.102 nan 8.280 nan 0.000 0.518 241 A N 0.349 123.143 122.820 -0.044 0.000 1.972 241 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 241 A C 2.564 180.103 177.584 -0.075 0.000 1.169 241 A CA 1.709 53.712 52.037 -0.057 0.000 0.635 241 A CB -1.444 17.517 19.000 -0.065 0.000 0.810 241 A HN 0.477 nan 8.150 nan 0.000 0.446 242 G N 0.120 108.853 108.800 -0.112 0.000 2.434 242 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.214 242 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.214 242 G C 1.630 176.480 174.900 -0.082 0.000 1.202 242 G CA 2.100 47.134 45.100 -0.111 0.000 0.788 242 G HN 0.896 nan 8.290 nan 0.000 0.539 243 V N 0.019 119.876 119.914 -0.094 0.000 2.380 243 V HA -0.082 4.038 4.120 -0.000 0.000 0.251 243 V C 3.025 179.098 176.094 -0.034 0.000 1.063 243 V CA 1.964 64.229 62.300 -0.059 0.000 1.055 243 V CB -1.500 30.290 31.823 -0.055 0.000 0.657 243 V HN 0.470 nan 8.190 nan 0.000 0.455 244 A N 1.097 123.896 122.820 -0.036 0.000 1.842 244 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 244 A C 2.325 179.874 177.584 -0.059 0.000 1.206 244 A CA 2.952 54.966 52.037 -0.038 0.000 0.630 244 A CB -0.794 18.181 19.000 -0.042 0.000 0.839 244 A HN 0.548 nan 8.150 nan 0.000 0.447 245 M N -0.567 118.984 119.600 -0.082 0.000 2.108 245 M HA -0.195 4.285 4.480 -0.000 0.000 0.257 245 M C 2.159 178.376 176.300 -0.137 0.000 1.071 245 M CA 1.703 56.919 55.300 -0.139 0.000 1.093 245 M CB -0.688 31.864 32.600 -0.078 0.000 1.345 245 M HN 0.549 nan 8.290 nan 0.000 0.403 246 G N -0.576 108.222 108.800 -0.003 0.000 2.430 246 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 246 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 246 G C 1.337 176.281 174.900 0.072 0.000 1.146 246 G CA 0.364 45.533 45.100 0.115 0.000 0.793 246 G HN 0.488 nan 8.290 nan 0.000 0.537 247 E N -0.590 119.614 120.200 0.008 0.000 2.153 247 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 247 E C 1.823 178.418 176.600 -0.008 0.000 0.988 247 E CA 0.608 57.012 56.400 0.006 0.000 0.811 247 E CB -0.210 29.484 29.700 -0.009 0.000 0.746 247 E HN 0.594 nan 8.360 nan 0.000 0.466 248 Y N 0.906 121.056 120.300 -0.251 0.000 2.006 248 Y HA -0.356 4.194 4.550 -0.000 0.000 0.266 248 Y C 1.901 177.637 175.900 -0.272 0.000 1.133 248 Y CA 2.139 60.029 58.100 -0.351 0.000 1.098 248 Y CB -0.563 37.514 38.460 -0.637 0.000 0.969 248 Y HN -0.052 nan 8.280 nan 0.000 0.482 249 F N -0.069 120.038 119.950 0.262 0.000 2.126 249 F HA -0.328 4.199 4.527 0.000 0.000 0.299 249 F C 2.771 178.591 175.800 0.034 0.000 1.096 249 F CA 1.821 59.890 58.000 0.115 0.000 1.255 249 F CB -1.193 37.908 39.000 0.169 0.000 0.997 249 F HN 0.201 nan 8.300 nan 0.000 0.479 250 M N -0.014 119.715 119.600 0.214 0.000 2.065 250 M HA -0.191 4.289 4.480 -0.000 0.000 0.259 250 M C 1.880 178.220 176.300 0.067 0.000 1.069 250 M CA 1.890 57.276 55.300 0.143 0.000 1.110 250 M CB -0.515 32.145 32.600 0.100 0.000 1.328 250 M HN 0.225 nan 8.290 nan 0.000 0.405 251 I N 0.271 120.846 120.570 0.008 0.000 3.684 251 I HA -0.051 4.119 4.170 -0.000 0.000 0.308 251 I C 1.001 177.080 176.117 -0.063 0.000 1.263 251 I CA 0.389 61.673 61.300 -0.025 0.000 1.174 251 I CB -0.054 37.924 38.000 -0.037 0.000 1.021 251 I HN 0.376 nan 8.210 nan 0.000 0.451 252 M N -0.636 118.930 119.600 -0.056 0.000 3.470 252 M HA 0.273 4.753 4.480 -0.000 0.000 0.454 252 M C 0.928 177.210 176.300 -0.030 0.000 1.631 252 M CA 0.355 55.600 55.300 -0.091 0.000 0.732 252 M CB 0.299 32.761 32.600 -0.230 0.000 1.454 252 M HN 0.192 nan 8.290 nan 0.000 0.521 253 G N 1.520 110.320 108.800 0.001 0.000 2.347 253 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.247 253 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.247 253 G C 0.137 175.022 174.900 -0.026 0.000 1.037 253 G CA 0.443 45.538 45.100 -0.008 0.000 0.622 253 G HN 0.482 nan 8.290 nan 0.000 0.521 254 K N 0.430 120.856 120.400 0.043 0.000 2.107 254 K HA 0.544 4.864 4.320 -0.000 0.000 0.251 254 K C -0.354 176.362 176.600 0.193 0.000 1.012 254 K CA -0.622 55.693 56.287 0.046 0.000 0.920 254 K CB 0.351 32.931 32.500 0.133 0.000 1.033 254 K HN 0.295 nan 8.250 nan 0.000 0.478 255 H N 0.259 119.349 119.070 0.034 0.000 2.476 255 H HA 0.359 4.915 4.556 -0.000 0.000 0.328 255 H C -0.901 174.445 175.328 0.029 0.000 1.073 255 H CA -0.712 55.348 56.048 0.021 0.000 1.229 255 H CB 1.107 30.862 29.762 -0.012 0.000 1.432 255 H HN 0.121 nan 8.280 nan 0.000 0.477 256 V N 4.458 124.470 119.914 0.163 0.000 2.680 256 V HA 0.341 4.461 4.120 -0.000 0.000 0.309 256 V C -0.186 175.942 176.094 0.057 0.000 1.052 256 V CA -0.941 61.435 62.300 0.127 0.000 0.908 256 V CB 2.642 34.586 31.823 0.201 0.000 1.001 256 V HN 0.552 nan 8.190 nan 0.000 0.431 257 L N 4.690 125.942 121.223 0.049 0.000 2.341 257 L HA 0.839 5.179 4.340 -0.000 0.000 0.278 257 L C -1.228 175.650 176.870 0.014 0.000 1.005 257 L CA -0.401 54.449 54.840 0.018 0.000 0.818 257 L CB 1.798 43.870 42.059 0.022 0.000 1.259 257 L HN 0.508 nan 8.230 nan 0.000 0.418 258 V N 5.521 125.418 119.914 -0.027 0.000 2.444 258 V HA 0.474 4.594 4.120 -0.000 0.000 0.294 258 V C -0.370 175.647 176.094 -0.129 0.000 1.022 258 V CA -0.626 61.635 62.300 -0.066 0.000 0.850 258 V CB 1.747 33.521 31.823 -0.082 0.000 0.992 258 V HN 0.514 nan 8.190 nan 0.000 0.426 259 V N 6.179 125.992 119.914 -0.170 0.000 2.417 259 V HA 0.503 4.623 4.120 -0.000 0.000 0.291 259 V C -0.169 175.618 176.094 -0.511 0.000 1.024 259 V CA -0.371 61.737 62.300 -0.319 0.000 0.861 259 V CB 1.965 33.652 31.823 -0.227 0.000 0.985 259 V HN 0.726 nan 8.190 nan 0.000 0.436 260 I N 3.735 123.926 120.570 -0.631 0.000 2.412 260 I HA 0.254 4.424 4.170 -0.000 0.000 0.279 260 I C 0.099 175.753 176.117 -0.772 0.000 1.063 260 I CA -0.287 60.650 61.300 -0.606 0.000 1.193 260 I CB 0.955 38.685 38.000 -0.449 0.000 1.370 260 I HN 0.536 nan 8.210 nan 0.000 0.479 261 D N 7.522 127.439 120.400 -0.804 0.000 2.441 261 D HA -0.017 4.623 4.640 -0.000 0.000 0.243 261 D C -0.286 175.920 176.300 -0.157 0.000 1.257 261 D CA 0.912 54.642 54.000 -0.450 0.000 1.027 261 D CB 0.115 40.768 40.800 -0.245 0.000 1.084 261 D HN 0.526 nan 8.370 nan 0.000 0.514 262 D N 2.632 123.006 120.400 -0.044 0.000 3.814 262 D HA -0.150 4.490 4.640 -0.000 0.000 0.219 262 D C 0.733 176.970 176.300 -0.105 0.000 1.296 262 D CA -0.005 53.986 54.000 -0.015 0.000 0.799 262 D CB -0.318 40.495 40.800 0.021 0.000 0.437 262 D HN 0.401 nan 8.370 nan 0.000 0.185 263 L N 1.503 122.648 121.223 -0.130 0.000 2.477 263 L HA -0.022 4.318 4.340 -0.000 0.000 0.220 263 L C 2.368 179.211 176.870 -0.046 0.000 1.106 263 L CA 0.403 55.104 54.840 -0.233 0.000 0.851 263 L CB -0.038 41.726 42.059 -0.492 0.000 0.994 263 L HN 0.200 nan 8.230 nan 0.000 0.462 264 S N 0.066 115.768 115.700 0.003 0.000 2.371 264 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 264 S C 1.851 176.506 174.600 0.091 0.000 1.029 264 S CA 1.004 59.240 58.200 0.061 0.000 0.978 264 S CB -0.028 63.203 63.200 0.053 0.000 0.833 264 S HN 0.332 nan 8.310 nan 0.000 0.466 265 K N 1.115 121.552 120.400 0.061 0.000 2.211 265 K HA -0.048 4.272 4.320 -0.000 0.000 0.203 265 K C 2.450 179.106 176.600 0.094 0.000 1.050 265 K CA 0.831 57.161 56.287 0.072 0.000 0.945 265 K CB -0.072 32.453 32.500 0.040 0.000 0.732 265 K HN 0.338 nan 8.250 nan 0.000 0.451 266 Q N 0.526 120.373 119.800 0.079 0.000 2.062 266 Q HA -0.103 4.237 4.340 -0.000 0.000 0.196 266 Q C 2.094 178.231 176.000 0.229 0.000 0.967 266 Q CA 1.261 57.137 55.803 0.122 0.000 0.832 266 Q CB -0.054 28.702 28.738 0.031 0.000 0.899 266 Q HN 0.278 nan 8.270 nan 0.000 0.442 267 A N 1.357 124.314 122.820 0.227 0.000 1.873 267 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 267 A C 2.351 180.105 177.584 0.283 0.000 1.193 267 A CA 2.386 54.524 52.037 0.167 0.000 0.629 267 A CB -1.219 17.765 19.000 -0.027 0.000 0.826 267 A HN 0.563 nan 8.150 nan 0.000 0.447 268 A N -0.392 122.595 122.820 0.279 0.000 1.908 268 A HA 0.086 4.406 4.320 -0.000 0.000 0.218 268 A C 2.543 180.257 177.584 0.216 0.000 1.181 268 A CA 2.526 54.738 52.037 0.291 0.000 0.627 268 A CB -1.143 17.982 19.000 0.208 0.000 0.818 268 A HN 1.236 nan 8.150 nan 0.000 0.445 269 A N -1.638 121.304 122.820 0.204 0.000 1.902 269 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 269 A C 2.151 179.864 177.584 0.216 0.000 1.181 269 A CA 1.783 53.933 52.037 0.187 0.000 0.623 269 A CB -0.814 18.309 19.000 0.205 0.000 0.818 269 A HN 0.676 nan 8.150 nan 0.000 0.443 270 Y N 0.655 121.029 120.300 0.122 0.000 2.097 270 Y HA -0.250 4.300 4.550 -0.000 0.000 0.282 270 Y C 2.528 178.440 175.900 0.019 0.000 1.152 270 Y CA 2.032 60.150 58.100 0.030 0.000 1.136 270 Y CB -0.685 37.825 38.460 0.083 0.000 0.975 270 Y HN 0.408 nan 8.280 nan 0.000 0.498 271 R N 0.351 120.906 120.500 0.092 0.000 2.094 271 R HA -0.302 4.038 4.340 -0.000 0.000 0.239 271 R C 2.466 178.716 176.300 -0.083 0.000 1.137 271 R CA 2.264 58.372 56.100 0.013 0.000 0.943 271 R CB -0.635 29.767 30.300 0.170 0.000 0.850 271 R HN 0.602 nan 8.270 nan 0.000 0.433 272 Q N 0.540 120.326 119.800 -0.024 0.000 1.985 272 Q HA -0.240 4.100 4.340 -0.000 0.000 0.207 272 Q C 2.280 178.224 176.000 -0.093 0.000 0.996 272 Q CA 2.259 58.037 55.803 -0.043 0.000 0.851 272 Q CB -0.363 28.376 28.738 0.001 0.000 0.921 272 Q HN 0.572 nan 8.270 nan 0.000 0.418 273 L N 0.452 121.613 121.223 -0.104 0.000 2.081 273 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 273 L C 2.509 179.248 176.870 -0.219 0.000 1.080 273 L CA 1.837 56.589 54.840 -0.147 0.000 0.754 273 L CB -0.473 41.501 42.059 -0.143 0.000 0.893 273 L HN 0.380 nan 8.230 nan 0.000 0.433 274 S N 0.058 115.560 115.700 -0.329 0.000 2.349 274 S HA -0.219 4.251 4.470 -0.000 0.000 0.216 274 S C 1.939 176.425 174.600 -0.190 0.000 1.033 274 S CA 1.752 59.746 58.200 -0.344 0.000 1.021 274 S CB -0.517 62.403 63.200 -0.467 0.000 0.968 274 S HN 0.498 nan 8.310 nan 0.000 0.426 275 L N 1.462 122.595 121.223 -0.151 0.000 2.129 275 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 275 L C 2.456 179.272 176.870 -0.090 0.000 1.087 275 L CA 0.615 55.393 54.840 -0.103 0.000 0.757 275 L CB -0.523 41.483 42.059 -0.087 0.000 0.896 275 L HN 0.365 nan 8.230 nan 0.000 0.434 276 L N -0.463 120.700 121.223 -0.100 0.000 2.131 276 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 276 L C 2.231 179.051 176.870 -0.082 0.000 1.092 276 L CA 1.785 56.572 54.840 -0.090 0.000 0.759 276 L CB -0.698 41.300 42.059 -0.101 0.000 0.903 276 L HN 0.357 nan 8.230 nan 0.000 0.435 277 L N -1.212 119.957 121.223 -0.091 0.000 2.591 277 L HA 0.050 4.390 4.340 -0.000 0.000 0.228 277 L C 0.813 177.647 176.870 -0.060 0.000 1.133 277 L CA 0.024 54.821 54.840 -0.072 0.000 0.880 277 L CB -0.047 41.964 42.059 -0.081 0.000 1.033 277 L HN 0.270 nan 8.230 nan 0.000 0.450 278 R N 0.533 120.993 120.500 -0.065 0.000 3.531 278 R HA -0.152 4.188 4.340 -0.000 0.000 0.280 278 R C -0.124 176.146 176.300 -0.050 0.000 1.130 278 R CA 0.321 56.390 56.100 -0.053 0.000 0.757 278 R CB -1.415 28.862 30.300 -0.038 0.000 1.218 278 R HN 0.365 nan 8.270 nan 0.000 0.454 279 R N 1.752 122.213 120.500 -0.066 0.000 2.389 279 R HA 0.148 4.488 4.340 -0.000 0.000 0.295 279 R C -1.807 174.464 176.300 -0.048 0.000 1.075 279 R CA -1.396 54.670 56.100 -0.056 0.000 1.005 279 R CB 0.380 30.633 30.300 -0.078 0.000 0.987 279 R HN 0.017 nan 8.270 nan 0.000 0.452 280 P HA -0.026 nan 4.420 nan 0.000 0.262 280 P C -2.311 174.979 177.300 -0.017 0.000 1.182 280 P CA -0.674 62.413 63.100 -0.022 0.000 0.761 280 P CB 0.151 31.844 31.700 -0.011 0.000 0.795 281 P HA 0.235 nan 4.420 nan 0.000 0.277 281 P C 0.263 177.574 177.300 0.019 0.000 1.276 281 P CA 0.024 63.121 63.100 -0.005 0.000 0.788 281 P CB 0.759 32.445 31.700 -0.023 0.000 1.114 282 G N -0.769 108.063 108.800 0.053 0.000 3.252 282 G HA2 0.341 4.301 3.960 -0.000 0.000 0.181 282 G HA3 0.341 4.301 3.960 -0.000 0.000 0.181 282 G C -0.649 174.277 174.900 0.044 0.000 1.187 282 G CA -0.728 44.409 45.100 0.062 0.000 0.886 282 G HN 0.611 nan 8.290 nan 0.000 0.615 283 R N 0.732 121.245 120.500 0.021 0.000 2.640 283 R HA 0.067 4.407 4.340 -0.000 0.000 0.270 283 R C 0.397 176.695 176.300 -0.003 0.000 1.024 283 R CA 1.007 57.052 56.100 -0.091 0.000 1.085 283 R CB -0.034 30.054 30.300 -0.353 0.000 0.963 283 R HN 0.762 nan 8.270 nan 0.000 0.426 284 E N 2.514 122.680 120.200 -0.057 0.000 2.440 284 E HA -0.341 4.009 4.350 -0.000 0.000 0.246 284 E C 0.233 176.722 176.600 -0.185 0.000 1.165 284 E CA 0.772 57.138 56.400 -0.057 0.000 0.726 284 E CB -1.074 28.671 29.700 0.075 0.000 1.271 284 E HN 0.912 nan 8.360 nan 0.000 0.397 285 A N -2.099 120.652 122.820 -0.114 0.000 4.159 285 A HA -0.306 4.014 4.320 -0.000 0.000 0.263 285 A C 0.043 177.579 177.584 -0.081 0.000 0.889 285 A CA 1.635 53.589 52.037 -0.138 0.000 1.227 285 A CB -1.731 17.136 19.000 -0.222 0.000 1.051 285 A HN 0.521 nan 8.150 nan 0.000 0.820 286 Y N 0.915 121.279 120.300 0.106 0.000 2.544 286 Y HA 0.390 4.940 4.550 -0.000 0.000 0.330 286 Y C -1.502 174.467 175.900 0.116 0.000 1.136 286 Y CA -1.269 56.916 58.100 0.141 0.000 1.417 286 Y CB -0.210 38.435 38.460 0.308 0.000 1.229 286 Y HN 0.233 nan 8.280 nan 0.000 0.532 287 P HA -0.067 nan 4.420 nan 0.000 0.271 287 P C 0.918 178.333 177.300 0.192 0.000 1.228 287 P CA 0.707 63.880 63.100 0.120 0.000 0.797 287 P CB 0.698 32.408 31.700 0.018 0.000 0.914 288 G N 0.952 109.838 108.800 0.144 0.000 2.443 288 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.219 288 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.219 288 G C 0.585 175.602 174.900 0.195 0.000 1.131 288 G CA 0.569 45.760 45.100 0.151 0.000 0.775 288 G HN 0.633 nan 8.290 nan 0.000 0.547 289 D N 0.211 120.750 120.400 0.232 0.000 2.460 289 D HA 0.103 4.743 4.640 -0.000 0.000 0.229 289 D C 1.626 178.117 176.300 0.319 0.000 1.170 289 D CA -0.676 53.510 54.000 0.309 0.000 0.827 289 D CB 0.147 41.160 40.800 0.356 0.000 0.973 289 D HN 0.177 nan 8.370 nan 0.000 0.496 290 I N -0.050 120.665 120.570 0.242 0.000 2.315 290 I HA -0.053 4.117 4.170 -0.000 0.000 0.248 290 I C 1.704 177.755 176.117 -0.109 0.000 1.117 290 I CA 0.771 62.107 61.300 0.060 0.000 1.404 290 I CB -0.421 37.532 38.000 -0.078 0.000 1.071 290 I HN 0.106 nan 8.210 nan 0.000 0.419 291 F N 0.230 120.118 119.950 -0.102 0.000 2.039 291 F HA -0.300 4.227 4.527 -0.000 0.000 0.294 291 F C 2.459 178.273 175.800 0.024 0.000 1.130 291 F CA 2.016 59.968 58.000 -0.080 0.000 1.189 291 F CB -1.125 37.882 39.000 0.011 0.000 0.983 291 F HN 0.211 nan 8.300 nan 0.000 0.471 292 Y N 1.007 121.381 120.300 0.123 0.000 2.298 292 Y HA -0.252 4.298 4.550 -0.000 0.000 0.287 292 Y C 2.037 177.884 175.900 -0.088 0.000 1.164 292 Y CA 1.655 59.756 58.100 0.001 0.000 1.229 292 Y CB -0.850 37.690 38.460 0.134 0.000 0.977 292 Y HN 0.314 nan 8.280 nan 0.000 0.538 293 L N -0.371 120.756 121.223 -0.160 0.000 2.012 293 L HA -0.234 4.106 4.340 -0.000 0.000 0.210 293 L C 2.246 179.033 176.870 -0.138 0.000 1.073 293 L CA 2.340 57.027 54.840 -0.255 0.000 0.748 293 L CB -0.769 41.091 42.059 -0.332 0.000 0.891 293 L HN 0.376 nan 8.230 nan 0.000 0.431 294 H N -1.676 117.228 119.070 -0.276 0.000 2.355 294 H HA -0.041 4.515 4.556 -0.000 0.000 0.303 294 H C 2.403 177.524 175.328 -0.344 0.000 1.061 294 H CA 0.820 56.686 56.048 -0.303 0.000 1.368 294 H CB 0.013 29.595 29.762 -0.300 0.000 1.412 294 H HN 0.525 nan 8.280 nan 0.000 0.523 295 S N 2.099 117.571 115.700 -0.380 0.000 2.369 295 S HA -0.316 4.154 4.470 -0.000 0.000 0.225 295 S C 2.141 176.630 174.600 -0.185 0.000 1.043 295 S CA 1.666 59.641 58.200 -0.376 0.000 1.074 295 S CB -0.585 62.272 63.200 -0.573 0.000 0.962 295 S HN 0.556 nan 8.310 nan 0.000 0.433 296 R N 1.154 121.529 120.500 -0.208 0.000 2.170 296 R HA -0.060 4.280 4.340 -0.000 0.000 0.242 296 R C 2.315 178.557 176.300 -0.097 0.000 1.145 296 R CA 1.509 57.505 56.100 -0.173 0.000 0.984 296 R CB -0.800 29.234 30.300 -0.445 0.000 0.869 296 R HN 0.501 nan 8.270 nan 0.000 0.455 297 L N 0.888 122.069 121.223 -0.069 0.000 2.023 297 L HA -0.021 4.319 4.340 -0.000 0.000 0.205 297 L C 1.788 178.599 176.870 -0.099 0.000 1.073 297 L CA 1.566 56.387 54.840 -0.031 0.000 0.745 297 L CB -0.303 41.665 42.059 -0.151 0.000 0.900 297 L HN 0.155 nan 8.230 nan 0.000 0.435 298 L N -0.015 121.132 121.223 -0.128 0.000 2.610 298 L HA 0.046 4.386 4.340 -0.000 0.000 0.232 298 L C 2.224 179.048 176.870 -0.077 0.000 1.149 298 L CA 0.788 55.558 54.840 -0.116 0.000 0.872 298 L CB -0.982 40.998 42.059 -0.131 0.000 0.992 298 L HN 0.297 nan 8.230 nan 0.000 0.447 299 E N -0.063 120.101 120.200 -0.060 0.000 2.285 299 E HA -0.068 4.282 4.350 -0.000 0.000 0.194 299 E C 2.024 178.608 176.600 -0.027 0.000 0.997 299 E CA 0.349 56.730 56.400 -0.031 0.000 0.845 299 E CB 0.096 29.791 29.700 -0.009 0.000 0.782 299 E HN 0.452 nan 8.360 nan 0.000 0.491 300 R N 0.535 121.014 120.500 -0.034 0.000 2.235 300 R HA 0.074 4.414 4.340 -0.000 0.000 0.213 300 R C 0.812 177.092 176.300 -0.033 0.000 1.059 300 R CA 0.458 56.541 56.100 -0.028 0.000 0.997 300 R CB 0.126 30.411 30.300 -0.025 0.000 0.884 300 R HN -0.090 nan 8.270 nan 0.000 0.462 301 A N 1.043 123.836 122.820 -0.045 0.000 2.347 301 A HA 0.633 4.953 4.320 -0.000 0.000 0.287 301 A C -0.192 177.366 177.584 -0.042 0.000 1.199 301 A CA -0.133 51.875 52.037 -0.048 0.000 0.851 301 A CB 0.396 19.359 19.000 -0.062 0.000 1.118 301 A HN 0.292 nan 8.150 nan 0.000 0.525 302 A N 2.457 125.253 122.820 -0.040 0.000 2.524 302 A HA 0.892 5.212 4.320 -0.000 0.000 0.289 302 A C -0.710 176.841 177.584 -0.055 0.000 1.248 302 A CA -0.719 51.295 52.037 -0.038 0.000 0.712 302 A CB 1.168 20.154 19.000 -0.022 0.000 1.312 302 A HN 0.730 nan 8.150 nan 0.000 0.441 303 K N 1.010 121.379 120.400 -0.052 0.000 2.621 303 K HA 0.560 4.880 4.320 -0.000 0.000 0.233 303 K C -1.466 175.117 176.600 -0.028 0.000 0.972 303 K CA -0.211 56.033 56.287 -0.071 0.000 0.988 303 K CB -0.102 32.333 32.500 -0.108 0.000 1.187 303 K HN 0.595 nan 8.250 nan 0.000 0.471 304 L N 2.939 124.158 121.223 -0.008 0.000 2.483 304 L HA 0.138 4.478 4.340 -0.000 0.000 0.276 304 L C 0.635 177.522 176.870 0.029 0.000 1.213 304 L CA -0.136 54.713 54.840 0.014 0.000 0.843 304 L CB 0.692 42.765 42.059 0.023 0.000 1.107 304 L HN 0.834 nan 8.230 nan 0.000 0.487 305 S N 0.428 116.145 115.700 0.028 0.000 2.573 305 S HA 0.000 4.470 4.470 -0.000 0.000 0.277 305 S C 0.585 175.211 174.600 0.043 0.000 1.346 305 S CA -0.734 57.488 58.200 0.037 0.000 1.034 305 S CB 0.950 64.166 63.200 0.027 0.000 0.879 305 S HN 0.582 nan 8.310 nan 0.000 0.528 306 D N 1.966 122.396 120.400 0.051 0.000 2.182 306 D HA -0.039 4.601 4.640 -0.000 0.000 0.201 306 D C 2.121 178.438 176.300 0.029 0.000 0.986 306 D CA 1.654 55.682 54.000 0.046 0.000 0.847 306 D CB -0.772 40.055 40.800 0.045 0.000 0.942 306 D HN 0.757 nan 8.370 nan 0.000 0.467 307 A N 0.294 123.128 122.820 0.024 0.000 2.070 307 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 307 A C 1.767 179.358 177.584 0.012 0.000 1.159 307 A CA 1.224 53.270 52.037 0.015 0.000 0.656 307 A CB -0.147 18.861 19.000 0.013 0.000 0.800 307 A HN 0.125 nan 8.150 nan 0.000 0.453 308 K N -1.459 118.951 120.400 0.015 0.000 2.455 308 K HA 0.309 4.629 4.320 -0.000 0.000 0.206 308 K C 0.466 177.074 176.600 0.014 0.000 1.027 308 K CA 0.333 56.626 56.287 0.010 0.000 1.113 308 K CB 0.293 32.798 32.500 0.009 0.000 0.850 308 K HN 0.565 nan 8.250 nan 0.000 0.503 309 G N 1.503 110.314 108.800 0.020 0.000 2.326 309 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.286 309 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.286 309 G C 0.516 175.445 174.900 0.048 0.000 1.096 309 G CA -0.231 44.883 45.100 0.023 0.000 1.003 309 G HN 0.415 nan 8.290 nan 0.000 0.503 310 G N -0.259 108.580 108.800 0.065 0.000 2.113 310 G HA2 0.228 4.188 3.960 -0.000 0.000 0.259 310 G HA3 0.228 4.188 3.960 -0.000 0.000 0.259 310 G C 1.220 176.230 174.900 0.183 0.000 0.734 310 G CA 0.979 46.140 45.100 0.102 0.000 0.919 310 G HN 1.840 nan 8.290 nan 0.000 0.431 311 G N -0.538 108.349 108.800 0.145 0.000 2.634 311 G HA2 0.579 4.539 3.960 -0.000 0.000 0.255 311 G HA3 0.579 4.539 3.960 -0.000 0.000 0.255 311 G C 0.283 175.268 174.900 0.141 0.000 1.205 311 G CA 0.488 45.724 45.100 0.227 0.000 0.884 311 G HN 1.507 nan 8.290 nan 0.000 0.549 312 S N -0.560 115.200 115.700 0.100 0.000 2.614 312 S HA 0.483 4.953 4.470 -0.000 0.000 0.275 312 S C -1.027 173.525 174.600 -0.079 0.000 1.161 312 S CA -0.784 57.323 58.200 -0.156 0.000 0.969 312 S CB 1.544 64.435 63.200 -0.516 0.000 1.059 312 S HN 0.753 nan 8.310 nan 0.000 0.482 313 L N 3.473 124.666 121.223 -0.050 0.000 2.301 313 L HA 0.534 4.874 4.340 -0.000 0.000 0.278 313 L C -0.372 176.466 176.870 -0.054 0.000 1.022 313 L CA -0.037 54.790 54.840 -0.022 0.000 0.854 313 L CB 1.166 43.226 42.059 0.002 0.000 1.226 313 L HN 0.864 nan 8.230 nan 0.000 0.429 314 T N 3.305 117.824 114.554 -0.059 0.000 2.904 314 T HA 0.650 5.000 4.350 -0.000 0.000 0.290 314 T C -0.093 174.572 174.700 -0.057 0.000 1.018 314 T CA -0.301 61.761 62.100 -0.064 0.000 1.075 314 T CB 1.462 70.293 68.868 -0.062 0.000 0.986 314 T HN 0.674 nan 8.240 nan 0.000 0.523 315 A N 2.370 125.152 122.820 -0.063 0.000 2.374 315 A HA 0.714 5.034 4.320 -0.000 0.000 0.305 315 A C -0.867 176.674 177.584 -0.072 0.000 1.053 315 A CA -0.681 51.307 52.037 -0.082 0.000 0.726 315 A CB 0.867 19.807 19.000 -0.099 0.000 1.229 315 A HN 0.810 nan 8.150 nan 0.000 0.431 316 L N 3.744 124.912 121.223 -0.091 0.000 2.408 316 L HA 0.328 4.668 4.340 -0.000 0.000 0.257 316 L C -2.586 174.216 176.870 -0.114 0.000 1.053 316 L CA -1.761 53.050 54.840 -0.048 0.000 0.922 316 L CB 1.796 43.858 42.059 0.006 0.000 1.261 316 L HN 0.417 nan 8.230 nan 0.000 0.458 317 P HA 0.169 nan 4.420 nan 0.000 0.281 317 P C -0.794 176.575 177.300 0.116 0.000 1.252 317 P CA -0.116 62.918 63.100 -0.111 0.000 0.778 317 P CB 0.518 32.132 31.700 -0.143 0.000 0.895 318 F N 2.268 122.124 119.950 -0.157 0.000 2.404 318 F HA 0.424 4.951 4.527 0.000 0.000 0.339 318 F C 0.366 176.081 175.800 -0.142 0.000 1.105 318 F CA -1.275 56.646 58.000 -0.131 0.000 1.087 318 F CB 1.236 40.171 39.000 -0.109 0.000 1.143 318 F HN -0.036 nan 8.300 nan 0.000 0.491 319 V N 2.876 122.814 119.914 0.039 0.000 2.524 319 V HA 0.198 4.318 4.120 -0.000 0.000 0.297 319 V C -0.352 175.703 176.094 -0.066 0.000 1.035 319 V CA -0.980 61.304 62.300 -0.028 0.000 0.867 319 V CB 1.843 33.633 31.823 -0.055 0.000 1.004 319 V HN 0.715 nan 8.190 nan 0.000 0.426 320 E N 3.428 123.608 120.200 -0.034 0.000 2.194 320 E HA 0.382 4.732 4.350 -0.000 0.000 0.284 320 E C -0.156 176.424 176.600 -0.032 0.000 1.035 320 E CA -0.382 55.991 56.400 -0.045 0.000 0.836 320 E CB 0.951 30.644 29.700 -0.011 0.000 1.070 320 E HN 0.779 nan 8.360 nan 0.000 0.401 321 T N 2.536 117.058 114.554 -0.053 0.000 2.767 321 T HA 0.248 4.598 4.350 -0.000 0.000 0.288 321 T C 0.012 174.720 174.700 0.013 0.000 0.963 321 T CA -1.100 60.987 62.100 -0.021 0.000 1.019 321 T CB 1.432 70.271 68.868 -0.048 0.000 0.923 321 T HN 0.345 nan 8.240 nan 0.000 0.468 322 Q N 1.874 121.696 119.800 0.036 0.000 2.296 322 Q HA 0.426 4.766 4.340 -0.000 0.000 0.262 322 Q C 1.098 177.131 176.000 0.054 0.000 0.981 322 Q CA 0.426 56.255 55.803 0.045 0.000 0.905 322 Q CB 1.013 29.782 28.738 0.053 0.000 1.186 322 Q HN 1.195 nan 8.270 nan 0.000 0.399 323 A N 2.701 125.554 122.820 0.056 0.000 2.798 323 A HA -0.229 4.091 4.320 -0.000 0.000 0.282 323 A C 1.171 178.808 177.584 0.089 0.000 1.464 323 A CA 1.481 53.559 52.037 0.067 0.000 0.844 323 A CB -2.168 16.868 19.000 0.060 0.000 1.006 323 A HN 1.545 nan 8.150 nan 0.000 0.577 324 G N -1.350 107.509 108.800 0.098 0.000 2.168 324 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.257 324 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.257 324 G C -0.068 174.928 174.900 0.160 0.000 0.997 324 G CA 1.117 46.311 45.100 0.157 0.000 0.708 324 G HN 1.624 nan 8.290 nan 0.000 0.520 325 D N 0.571 121.034 120.400 0.105 0.000 2.383 325 D HA 0.338 4.978 4.640 -0.000 0.000 0.245 325 D C 1.789 178.143 176.300 0.090 0.000 1.263 325 D CA -0.710 53.350 54.000 0.100 0.000 0.936 325 D CB -0.087 40.762 40.800 0.083 0.000 1.053 325 D HN 0.021 nan 8.370 nan 0.000 0.507 326 I N 1.841 122.482 120.570 0.118 0.000 2.142 326 I HA -0.233 3.937 4.170 -0.000 0.000 0.240 326 I C 2.088 178.256 176.117 0.085 0.000 1.078 326 I CA 0.873 62.225 61.300 0.088 0.000 1.343 326 I CB -1.127 36.970 38.000 0.161 0.000 1.046 326 I HN 0.320 nan 8.210 nan 0.000 0.405 327 S N 1.151 116.910 115.700 0.098 0.000 2.481 327 S HA -0.121 4.349 4.470 -0.000 0.000 0.253 327 S C 1.230 175.895 174.600 0.109 0.000 0.998 327 S CA 0.669 58.926 58.200 0.095 0.000 0.972 327 S CB -0.754 62.496 63.200 0.083 0.000 0.751 327 S HN 0.536 nan 8.310 nan 0.000 0.515 328 A N 0.911 123.798 122.820 0.112 0.000 2.536 328 A HA 0.170 4.490 4.320 -0.000 0.000 0.234 328 A C 1.000 178.707 177.584 0.205 0.000 1.076 328 A CA -0.091 52.034 52.037 0.147 0.000 0.769 328 A CB -0.210 18.869 19.000 0.131 0.000 1.020 328 A HN 0.280 nan 8.150 nan 0.000 0.508 329 Y N 1.397 121.754 120.300 0.094 0.000 2.009 329 Y HA -0.242 4.308 4.550 -0.000 0.000 0.260 329 Y C 2.100 178.038 175.900 0.063 0.000 1.118 329 Y CA 2.224 60.381 58.100 0.095 0.000 1.087 329 Y CB -0.537 38.016 38.460 0.155 0.000 0.970 329 Y HN 0.514 nan 8.280 nan 0.000 0.481 330 I N 0.644 121.154 120.570 -0.101 0.000 2.236 330 I HA -0.255 3.915 4.170 -0.000 0.000 0.249 330 I C -0.468 175.614 176.117 -0.059 0.000 1.102 330 I CA 1.685 62.845 61.300 -0.233 0.000 1.365 330 I CB -2.854 35.007 38.000 -0.232 0.000 1.051 330 I HN 0.252 nan 8.210 nan 0.000 0.420 331 P HA -0.086 nan 4.420 nan 0.000 0.217 331 P C 1.850 179.169 177.300 0.031 0.000 1.151 331 P CA 1.955 65.060 63.100 0.008 0.000 0.828 331 P CB -0.174 31.532 31.700 0.010 0.000 0.788 332 T N -3.755 110.840 114.554 0.068 0.000 2.821 332 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 332 T C 1.733 176.496 174.700 0.106 0.000 1.046 332 T CA 1.126 63.281 62.100 0.092 0.000 1.139 332 T CB -1.171 67.772 68.868 0.126 0.000 0.871 332 T HN 0.075 nan 8.240 nan 0.000 0.454 333 N N 0.919 119.675 118.700 0.093 0.000 2.006 333 N HA -0.096 4.644 4.740 -0.000 0.000 0.196 333 N C 1.955 177.552 175.510 0.145 0.000 1.057 333 N CA 1.579 54.729 53.050 0.167 0.000 0.853 333 N CB -0.572 37.948 38.487 0.054 0.000 1.051 333 N HN 0.177 nan 8.380 nan 0.000 0.423 334 V N 1.922 121.874 119.914 0.063 0.000 2.982 334 V HA -0.138 3.982 4.120 -0.000 0.000 0.265 334 V C 1.907 178.010 176.094 0.016 0.000 1.122 334 V CA 1.083 63.393 62.300 0.017 0.000 1.143 334 V CB -0.388 31.421 31.823 -0.023 0.000 0.726 334 V HN 0.258 nan 8.190 nan 0.000 0.507 335 I N 0.167 120.763 120.570 0.043 0.000 2.480 335 I HA -0.082 4.088 4.170 -0.000 0.000 0.251 335 I C 2.200 178.357 176.117 0.067 0.000 1.124 335 I CA 1.341 62.666 61.300 0.042 0.000 1.444 335 I CB -0.265 37.762 38.000 0.046 0.000 1.098 335 I HN 0.479 nan 8.210 nan 0.000 0.428 336 S N 0.186 115.953 115.700 0.111 0.000 2.720 336 S HA 0.162 4.632 4.470 -0.000 0.000 0.222 336 S C 1.341 176.036 174.600 0.157 0.000 0.958 336 S CA 0.277 58.562 58.200 0.141 0.000 0.943 336 S CB -0.434 62.878 63.200 0.185 0.000 0.779 336 S HN 0.410 nan 8.310 nan 0.000 0.526 337 I N 0.992 121.617 120.570 0.092 0.000 3.570 337 I HA 0.065 4.235 4.170 -0.000 0.000 0.270 337 I C 1.207 177.330 176.117 0.011 0.000 1.162 337 I CA 0.385 61.708 61.300 0.038 0.000 1.413 337 I CB -0.454 37.512 38.000 -0.056 0.000 1.437 337 I HN 0.306 nan 8.210 nan 0.000 0.457 338 T N -0.679 113.873 114.554 -0.003 0.000 2.856 338 T HA 0.040 4.390 4.350 -0.000 0.000 0.306 338 T C 0.245 174.949 174.700 0.006 0.000 1.062 338 T CA -0.349 61.745 62.100 -0.011 0.000 1.083 338 T CB 0.554 69.409 68.868 -0.022 0.000 0.984 338 T HN 0.092 nan 8.240 nan 0.000 0.542 339 D N 1.525 121.925 120.400 0.000 0.000 2.856 339 D HA 0.392 5.032 4.640 -0.000 0.000 0.242 339 D C 1.033 177.341 176.300 0.012 0.000 1.226 339 D CA 0.418 54.423 54.000 0.007 0.000 0.855 339 D CB -0.753 40.047 40.800 -0.001 0.000 1.065 339 D HN 1.047 nan 8.370 nan 0.000 0.462 340 G N 1.401 110.212 108.800 0.018 0.000 2.459 340 G HA2 0.042 4.002 3.960 -0.000 0.000 0.685 340 G HA3 0.042 4.002 3.960 -0.000 0.000 0.685 340 G C -1.370 173.544 174.900 0.022 0.000 1.303 340 G CA -1.043 44.072 45.100 0.025 0.000 0.907 340 G HN 0.156 nan 8.290 nan 0.000 0.632 341 Q N -0.174 119.645 119.800 0.033 0.000 2.389 341 Q HA 0.732 5.072 4.340 -0.000 0.000 0.277 341 Q C -1.049 174.978 176.000 0.045 0.000 1.082 341 Q CA -1.009 54.808 55.803 0.023 0.000 0.810 341 Q CB 2.381 31.122 28.738 0.005 0.000 1.374 341 Q HN 0.795 nan 8.270 nan 0.000 0.422 342 I N 2.075 122.660 120.570 0.026 0.000 2.336 342 I HA 0.323 4.493 4.170 -0.000 0.000 0.292 342 I C -0.892 175.256 176.117 0.052 0.000 0.991 342 I CA -0.801 60.530 61.300 0.052 0.000 1.227 342 I CB 0.895 38.912 38.000 0.028 0.000 1.366 342 I HN 0.488 nan 8.210 nan 0.000 0.466 343 F N 7.636 127.580 119.950 -0.009 0.000 2.361 343 F HA 0.439 4.966 4.527 0.000 0.000 0.364 343 F C -0.435 175.355 175.800 -0.017 0.000 1.120 343 F CA -0.841 57.152 58.000 -0.011 0.000 1.102 343 F CB 0.692 39.694 39.000 0.004 0.000 1.183 343 F HN 0.184 nan 8.300 nan 0.000 0.476 344 L N 6.284 127.681 121.223 0.290 0.000 2.261 344 L HA 0.287 4.627 4.340 -0.000 0.000 0.289 344 L C 0.189 177.258 176.870 0.333 0.000 1.059 344 L CA -0.693 54.273 54.840 0.210 0.000 0.816 344 L CB 0.698 42.760 42.059 0.006 0.000 1.191 344 L HN 0.428 nan 8.230 nan 0.000 0.431 345 Q N 1.390 121.342 119.800 0.252 0.000 2.313 345 Q HA 0.038 4.378 4.340 -0.000 0.000 0.266 345 Q C 0.991 177.091 176.000 0.167 0.000 0.989 345 Q CA 0.172 56.085 55.803 0.183 0.000 0.890 345 Q CB 1.886 30.663 28.738 0.064 0.000 1.200 345 Q HN 0.719 nan 8.270 nan 0.000 0.396 346 S N 3.200 119.004 115.700 0.173 0.000 2.338 346 S HA -0.198 4.272 4.470 -0.000 0.000 0.218 346 S C 1.094 175.844 174.600 0.249 0.000 1.032 346 S CA 2.056 60.363 58.200 0.179 0.000 0.999 346 S CB 0.032 63.334 63.200 0.170 0.000 0.905 346 S HN 0.776 nan 8.310 nan 0.000 0.439 347 D N 1.577 122.098 120.400 0.203 0.000 2.123 347 D HA -0.127 4.513 4.640 -0.000 0.000 0.196 347 D C 2.022 178.439 176.300 0.195 0.000 0.992 347 D CA 0.903 55.027 54.000 0.206 0.000 0.833 347 D CB -0.577 40.304 40.800 0.136 0.000 0.954 347 D HN 0.287 nan 8.370 nan 0.000 0.455 348 L N -0.516 120.795 121.223 0.148 0.000 2.051 348 L HA -0.185 4.155 4.340 -0.000 0.000 0.214 348 L C 2.260 179.199 176.870 0.116 0.000 1.076 348 L CA 1.533 56.441 54.840 0.112 0.000 0.758 348 L CB -1.040 41.075 42.059 0.094 0.000 0.890 348 L HN 0.172 nan 8.230 nan 0.000 0.433 349 F N 0.170 120.106 119.950 -0.025 0.000 2.014 349 F HA -0.274 4.253 4.527 0.000 0.000 0.295 349 F C 2.407 178.099 175.800 -0.180 0.000 1.145 349 F CA 1.653 59.560 58.000 -0.154 0.000 1.178 349 F CB -0.612 38.217 39.000 -0.284 0.000 0.972 349 F HN -0.086 nan 8.300 nan 0.000 0.476 350 F N 0.850 120.926 119.950 0.209 0.000 2.216 350 F HA -0.187 4.340 4.527 -0.000 0.000 0.300 350 F C 2.864 178.653 175.800 -0.019 0.000 1.085 350 F CA 1.453 59.494 58.000 0.070 0.000 1.326 350 F CB -1.232 37.860 39.000 0.154 0.000 1.027 350 F HN 0.107 nan 8.300 nan 0.000 0.497 351 S N -0.790 115.001 115.700 0.152 0.000 2.453 351 S HA 0.246 4.716 4.470 -0.000 0.000 0.231 351 S C 1.403 176.003 174.600 0.001 0.000 1.005 351 S CA 0.527 58.774 58.200 0.078 0.000 0.949 351 S CB -0.359 62.886 63.200 0.075 0.000 0.774 351 S HN 0.578 nan 8.310 nan 0.000 0.510 352 G N -0.141 108.615 108.800 -0.073 0.000 2.905 352 G HA2 0.091 4.051 3.960 -0.000 0.000 0.210 352 G HA3 0.091 4.051 3.960 -0.000 0.000 0.210 352 G C -0.719 174.116 174.900 -0.109 0.000 0.991 352 G CA -0.462 44.557 45.100 -0.135 0.000 1.210 352 G HN 0.925 nan 8.290 nan 0.000 0.602 353 V N 2.504 122.338 119.914 -0.133 0.000 2.722 353 V HA 0.449 4.569 4.120 -0.000 0.000 0.260 353 V C -0.343 175.707 176.094 -0.072 0.000 0.941 353 V CA -1.170 61.087 62.300 -0.072 0.000 0.888 353 V CB 1.167 32.978 31.823 -0.018 0.000 1.059 353 V HN 0.556 nan 8.190 nan 0.000 0.486 354 R N 3.372 123.813 120.500 -0.098 0.000 2.295 354 R HA 0.548 4.888 4.340 -0.000 0.000 0.324 354 R C -2.986 173.295 176.300 -0.032 0.000 0.968 354 R CA -2.635 53.426 56.100 -0.065 0.000 0.837 354 R CB 1.557 31.784 30.300 -0.121 0.000 1.133 354 R HN 0.273 nan 8.270 nan 0.000 0.450 355 P HA 0.154 nan 4.420 nan 0.000 0.281 355 P C 0.127 177.452 177.300 0.040 0.000 1.252 355 P CA -0.246 62.867 63.100 0.022 0.000 0.778 355 P CB 0.963 32.672 31.700 0.015 0.000 0.895 356 A N 4.855 127.726 122.820 0.086 0.000 2.253 356 A HA -0.025 4.295 4.320 -0.000 0.000 0.203 356 A C 0.915 178.550 177.584 0.085 0.000 1.272 356 A CA 0.168 52.267 52.037 0.102 0.000 0.847 356 A CB -1.220 17.886 19.000 0.176 0.000 0.772 356 A HN 0.452 nan 8.150 nan 0.000 0.494 357 I N 0.952 121.560 120.570 0.064 0.000 2.906 357 I HA -0.130 4.040 4.170 -0.000 0.000 0.301 357 I C 0.640 176.792 176.117 0.058 0.000 1.221 357 I CA 0.526 61.867 61.300 0.068 0.000 1.435 357 I CB -0.709 37.318 38.000 0.045 0.000 1.345 357 I HN 0.308 nan 8.210 nan 0.000 0.558 358 N N 6.083 124.826 118.700 0.071 0.000 3.234 358 N HA 0.284 5.024 4.740 -0.000 0.000 0.272 358 N C 0.964 176.472 175.510 -0.004 0.000 1.254 358 N CA 0.224 53.264 53.050 -0.015 0.000 1.087 358 N CB 0.597 38.973 38.487 -0.184 0.000 1.356 358 N HN 0.672 nan 8.380 nan 0.000 0.511 359 A N 2.111 124.940 122.820 0.014 0.000 1.899 359 A HA -0.306 4.014 4.320 -0.000 0.000 0.230 359 A C 2.124 179.718 177.584 0.017 0.000 1.593 359 A CA 2.553 54.602 52.037 0.020 0.000 0.728 359 A CB -1.698 17.310 19.000 0.014 0.000 0.848 359 A HN 0.582 nan 8.150 nan 0.000 0.490 360 G N -0.748 108.051 108.800 -0.002 0.000 2.631 360 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.219 360 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.219 360 G C 1.531 176.436 174.900 0.007 0.000 1.214 360 G CA 1.425 46.522 45.100 -0.004 0.000 0.785 360 G HN 0.560 nan 8.290 nan 0.000 0.596 361 L N 0.763 121.977 121.223 -0.015 0.000 2.156 361 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 361 L C 1.497 178.443 176.870 0.127 0.000 1.095 361 L CA 0.078 54.948 54.840 0.050 0.000 0.770 361 L CB -0.701 41.368 42.059 0.017 0.000 0.914 361 L HN 0.066 nan 8.230 nan 0.000 0.439 362 S N 0.077 115.855 115.700 0.130 0.000 2.558 362 S HA 0.240 4.710 4.470 -0.000 0.000 0.288 362 S C -0.157 174.492 174.600 0.082 0.000 1.318 362 S CA -0.064 58.214 58.200 0.129 0.000 1.056 362 S CB 1.552 64.818 63.200 0.110 0.000 0.853 362 S HN 0.137 nan 8.310 nan 0.000 0.505 363 V N 2.175 122.132 119.914 0.071 0.000 3.023 363 V HA 0.702 4.822 4.120 -0.000 0.000 0.294 363 V C -1.086 175.033 176.094 0.041 0.000 1.324 363 V CA -0.451 61.880 62.300 0.052 0.000 0.979 363 V CB 2.345 34.200 31.823 0.053 0.000 1.093 363 V HN 0.822 nan 8.190 nan 0.000 0.434 364 S N 5.715 121.434 115.700 0.033 0.000 2.561 364 S HA 0.621 5.091 4.470 -0.000 0.000 0.303 364 S C 0.463 175.076 174.600 0.022 0.000 1.110 364 S CA -0.581 57.634 58.200 0.025 0.000 1.034 364 S CB 1.942 65.154 63.200 0.021 0.000 1.010 364 S HN 0.855 nan 8.310 nan 0.000 0.482 365 R N 2.229 122.741 120.500 0.020 0.000 2.048 365 R HA 0.034 4.374 4.340 -0.000 0.000 0.224 365 R C 2.132 178.441 176.300 0.016 0.000 1.163 365 R CA 1.428 57.539 56.100 0.019 0.000 0.956 365 R CB -0.871 29.441 30.300 0.021 0.000 0.849 365 R HN 0.684 nan 8.270 nan 0.000 0.435 366 V N 0.303 120.223 119.914 0.010 0.000 3.186 366 V HA 0.064 4.184 4.120 -0.000 0.000 0.270 366 V C 0.844 176.943 176.094 0.009 0.000 1.149 366 V CA 0.917 63.222 62.300 0.008 0.000 1.160 366 V CB -1.338 30.483 31.823 -0.004 0.000 0.758 366 V HN 0.249 nan 8.190 nan 0.000 0.516 367 G N -0.083 108.724 108.800 0.011 0.000 2.298 367 G HA2 0.460 4.420 3.960 -0.000 0.000 0.263 367 G HA3 0.460 4.420 3.960 -0.000 0.000 0.263 367 G C 0.808 175.717 174.900 0.016 0.000 1.229 367 G CA 0.510 45.618 45.100 0.013 0.000 0.976 367 G HN 1.371 nan 8.290 nan 0.000 0.459 368 G N 1.923 110.732 108.800 0.016 0.000 3.145 368 G HA2 0.136 4.096 3.960 -0.000 0.000 0.195 368 G HA3 0.136 4.096 3.960 -0.000 0.000 0.195 368 G C 1.436 176.349 174.900 0.022 0.000 2.278 368 G CA 0.556 45.667 45.100 0.018 0.000 1.441 368 G HN 1.585 nan 8.290 nan 0.000 0.452 369 A N 1.270 124.106 122.820 0.028 0.000 2.264 369 A HA 0.625 4.945 4.320 -0.000 0.000 0.207 369 A C 2.203 179.818 177.584 0.051 0.000 1.196 369 A CA 2.096 54.158 52.037 0.043 0.000 0.778 369 A CB -0.619 18.413 19.000 0.054 0.000 0.779 369 A HN 1.714 nan 8.150 nan 0.000 0.483 370 A N -0.796 122.042 122.820 0.030 0.000 1.909 370 A HA 0.184 4.504 4.320 -0.000 0.000 0.210 370 A C 1.123 178.720 177.584 0.022 0.000 1.273 370 A CA 0.085 52.134 52.037 0.020 0.000 0.654 370 A CB -0.388 18.614 19.000 0.004 0.000 0.945 370 A HN 0.541 nan 8.150 nan 0.000 0.471 371 Q N 0.529 120.339 119.800 0.017 0.000 2.326 371 Q HA 0.194 4.534 4.340 -0.000 0.000 0.314 371 Q C -0.119 175.891 176.000 0.016 0.000 1.091 371 Q CA 0.383 56.195 55.803 0.014 0.000 0.974 371 Q CB 0.206 28.951 28.738 0.012 0.000 1.220 371 Q HN 0.706 nan 8.270 nan 0.000 0.398 372 I N -1.028 119.550 120.570 0.012 0.000 2.532 372 I HA 0.129 4.299 4.170 -0.000 0.000 0.292 372 I C 0.783 176.903 176.117 0.005 0.000 1.014 372 I CA -0.693 60.614 61.300 0.011 0.000 1.340 372 I CB 0.890 38.896 38.000 0.009 0.000 1.422 372 I HN 0.553 nan 8.210 nan 0.000 0.528 373 K N 3.746 124.148 120.400 0.002 0.000 2.163 373 K HA -0.288 4.032 4.320 -0.000 0.000 0.210 373 K C 2.071 178.663 176.600 -0.013 0.000 1.048 373 K CA 2.288 58.572 56.287 -0.005 0.000 0.928 373 K CB -0.405 32.090 32.500 -0.008 0.000 0.716 373 K HN 0.888 nan 8.250 nan 0.000 0.459 374 A N 1.102 123.915 122.820 -0.012 0.000 1.873 374 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 374 A C 2.135 179.710 177.584 -0.015 0.000 1.193 374 A CA 1.846 53.872 52.037 -0.018 0.000 0.629 374 A CB -0.417 18.579 19.000 -0.006 0.000 0.826 374 A HN 0.182 nan 8.150 nan 0.000 0.447 375 M N -0.734 118.865 119.600 -0.002 0.000 2.175 375 M HA -0.090 4.390 4.480 -0.000 0.000 0.264 375 M C 2.006 178.307 176.300 0.003 0.000 1.063 375 M CA 1.560 56.864 55.300 0.006 0.000 1.119 375 M CB -0.965 31.641 32.600 0.010 0.000 1.377 375 M HN 0.446 nan 8.290 nan 0.000 0.415 376 K N 0.688 121.088 120.400 -0.001 0.000 2.020 376 K HA -0.234 4.086 4.320 -0.000 0.000 0.212 376 K C 1.900 178.496 176.600 -0.006 0.000 1.050 376 K CA 2.179 58.465 56.287 -0.001 0.000 0.929 376 K CB -0.225 32.275 32.500 -0.001 0.000 0.714 376 K HN 0.412 nan 8.250 nan 0.000 0.443 377 K N 0.869 121.257 120.400 -0.019 0.000 1.985 377 K HA -0.139 4.181 4.320 -0.000 0.000 0.210 377 K C 2.044 178.630 176.600 -0.024 0.000 1.047 377 K CA 1.863 58.133 56.287 -0.029 0.000 0.932 377 K CB -0.844 31.623 32.500 -0.055 0.000 0.716 377 K HN 0.093 nan 8.250 nan 0.000 0.439 378 V N -0.531 119.367 119.914 -0.027 0.000 2.307 378 V HA -0.049 4.071 4.120 -0.000 0.000 0.245 378 V C 2.613 178.721 176.094 0.024 0.000 1.045 378 V CA 1.530 63.833 62.300 0.003 0.000 1.024 378 V CB -1.344 30.493 31.823 0.024 0.000 0.651 378 V HN 0.428 nan 8.190 nan 0.000 0.449 379 A N 1.365 124.197 122.820 0.020 0.000 2.076 379 A HA 0.033 4.353 4.320 -0.000 0.000 0.220 379 A C 2.322 179.917 177.584 0.018 0.000 1.160 379 A CA 1.812 53.862 52.037 0.022 0.000 0.653 379 A CB -1.432 17.580 19.000 0.019 0.000 0.801 379 A HN 0.714 nan 8.150 nan 0.000 0.455 380 G N 0.066 108.874 108.800 0.013 0.000 2.459 380 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 380 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 380 G C 1.769 176.678 174.900 0.015 0.000 1.183 380 G CA 2.112 47.219 45.100 0.013 0.000 0.776 380 G HN 0.709 nan 8.290 nan 0.000 0.552 381 T N -0.586 113.978 114.554 0.017 0.000 2.915 381 T HA 0.052 4.402 4.350 -0.000 0.000 0.269 381 T C 2.268 176.980 174.700 0.020 0.000 1.071 381 T CA 0.727 62.838 62.100 0.018 0.000 1.132 381 T CB -0.167 68.713 68.868 0.020 0.000 0.878 381 T HN 0.003 nan 8.240 nan 0.000 0.479 382 L N 1.735 122.971 121.223 0.020 0.000 2.043 382 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 382 L C 2.905 179.783 176.870 0.014 0.000 1.075 382 L CA 1.928 56.778 54.840 0.016 0.000 0.752 382 L CB -1.072 40.997 42.059 0.017 0.000 0.891 382 L HN 0.437 nan 8.230 nan 0.000 0.432 383 R N -0.258 120.252 120.500 0.017 0.000 2.083 383 R HA -0.190 4.150 4.340 -0.000 0.000 0.237 383 R C 2.380 178.695 176.300 0.024 0.000 1.137 383 R CA 1.440 57.551 56.100 0.019 0.000 0.951 383 R CB -0.160 30.152 30.300 0.019 0.000 0.851 383 R HN 0.352 nan 8.270 nan 0.000 0.434 384 L N 0.519 121.756 121.223 0.024 0.000 2.005 384 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 384 L C 2.061 178.953 176.870 0.037 0.000 1.072 384 L CA 1.559 56.416 54.840 0.028 0.000 0.744 384 L CB -0.675 41.398 42.059 0.023 0.000 0.895 384 L HN 0.166 nan 8.230 nan 0.000 0.433 385 D N 0.107 120.526 120.400 0.032 0.000 2.158 385 D HA -0.200 4.440 4.640 -0.000 0.000 0.197 385 D C 2.137 178.470 176.300 0.054 0.000 0.995 385 D CA 1.008 55.032 54.000 0.039 0.000 0.846 385 D CB -0.096 40.715 40.800 0.019 0.000 0.941 385 D HN 0.085 nan 8.370 nan 0.000 0.456 386 L N 0.217 121.459 121.223 0.033 0.000 2.131 386 L HA 0.099 4.439 4.340 -0.000 0.000 0.206 386 L C 2.147 179.070 176.870 0.089 0.000 1.087 386 L CA 0.994 55.855 54.840 0.034 0.000 0.767 386 L CB -1.019 41.040 42.059 -0.001 0.000 0.917 386 L HN -0.023 nan 8.230 nan 0.000 0.441 387 A N 0.171 123.029 122.820 0.064 0.000 1.851 387 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 387 A C 2.509 180.137 177.584 0.074 0.000 1.195 387 A CA 2.248 54.321 52.037 0.059 0.000 0.622 387 A CB -0.952 18.072 19.000 0.040 0.000 0.831 387 A HN 0.455 nan 8.150 nan 0.000 0.444 388 A N -1.548 121.317 122.820 0.075 0.000 1.859 388 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 388 A C 2.179 179.815 177.584 0.087 0.000 1.198 388 A CA 1.990 54.067 52.037 0.066 0.000 0.629 388 A CB -1.151 17.886 19.000 0.061 0.000 0.830 388 A HN 0.820 nan 8.150 nan 0.000 0.446 389 Y N 0.644 120.945 120.300 0.002 0.000 2.193 389 Y HA -0.280 4.270 4.550 -0.000 0.000 0.285 389 Y C 2.552 178.452 175.900 -0.001 0.000 1.166 389 Y CA 2.252 60.352 58.100 0.001 0.000 1.181 389 Y CB -0.245 38.217 38.460 0.003 0.000 0.976 389 Y HN 0.284 nan 8.280 nan 0.000 0.520 390 R N -0.219 120.410 120.500 0.215 0.000 2.073 390 R HA -0.185 4.155 4.340 -0.000 0.000 0.234 390 R C 2.286 178.602 176.300 0.027 0.000 1.134 390 R CA 1.708 57.885 56.100 0.128 0.000 0.952 390 R CB -0.373 29.986 30.300 0.099 0.000 0.850 390 R HN 0.447 nan 8.270 nan 0.000 0.433 391 E N 0.768 120.976 120.200 0.013 0.000 2.285 391 E HA -0.080 4.270 4.350 -0.000 0.000 0.194 391 E C 1.817 178.393 176.600 -0.040 0.000 0.997 391 E CA 0.307 56.702 56.400 -0.010 0.000 0.845 391 E CB 0.168 29.868 29.700 -0.001 0.000 0.782 391 E HN 0.285 nan 8.360 nan 0.000 0.491 392 L N 0.400 121.577 121.223 -0.077 0.000 2.217 392 L HA -0.015 4.325 4.340 -0.000 0.000 0.211 392 L C 0.857 177.646 176.870 -0.134 0.000 1.107 392 L CA 0.863 55.635 54.840 -0.113 0.000 0.783 392 L CB -0.107 41.855 42.059 -0.163 0.000 0.919 392 L HN 0.068 nan 8.230 nan 0.000 0.442 396 A N 2.811 125.570 122.820 -0.101 0.000 2.981 396 A HA 0.222 4.542 4.320 -0.000 0.000 0.280 396 A C 1.503 178.903 177.584 -0.307 0.000 1.743 396 A CA 0.200 52.096 52.037 -0.235 0.000 1.430 396 A CB -0.232 18.695 19.000 -0.121 0.000 1.085 396 A HN 0.448 nan 8.150 nan 0.000 0.597 397 Q N 1.287 120.794 119.800 -0.490 0.000 2.016 397 Q HA -0.084 4.256 4.340 -0.000 0.000 0.200 397 Q C 0.230 176.133 176.000 -0.162 0.000 0.978 397 Q CA 1.619 57.237 55.803 -0.309 0.000 0.833 397 Q CB -0.101 28.469 28.738 -0.280 0.000 0.895 397 Q HN 0.766 nan 8.270 nan 0.000 0.427 404 K N 1.890 122.289 120.400 -0.002 0.000 2.137 404 K HA 0.184 4.504 4.320 -0.000 0.000 0.202 404 K C 1.724 178.325 176.600 0.002 0.000 1.052 404 K CA 1.119 57.406 56.287 0.000 0.000 0.961 404 K CB -0.027 32.474 32.500 0.002 0.000 0.741 404 K HN 0.353 nan 8.250 nan 0.000 0.452 405 A N 0.848 123.669 122.820 0.002 0.000 1.978 405 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 405 A C 2.060 179.646 177.584 0.004 0.000 1.170 405 A CA 2.256 54.295 52.037 0.004 0.000 0.636 405 A CB -1.083 17.919 19.000 0.004 0.000 0.810 405 A HN 0.596 nan 8.150 nan 0.000 0.448 406 T N -2.038 112.516 114.554 -0.001 0.000 2.904 406 T HA -0.134 4.216 4.350 -0.000 0.000 0.267 406 T C 1.767 176.465 174.700 -0.003 0.000 1.059 406 T CA 1.318 63.415 62.100 -0.005 0.000 1.137 406 T CB -0.360 68.498 68.868 -0.017 0.000 0.879 406 T HN 0.623 nan 8.240 nan 0.000 0.467 407 Q N 0.792 120.592 119.800 -0.001 0.000 2.291 407 Q HA 0.169 4.509 4.340 -0.000 0.000 0.205 407 Q C 2.588 178.596 176.000 0.014 0.000 0.970 407 Q CA 1.094 56.899 55.803 0.003 0.000 0.876 407 Q CB -0.295 28.445 28.738 0.002 0.000 0.935 407 Q HN 0.736 nan 8.270 nan 0.000 0.455 408 A N 1.024 123.853 122.820 0.014 0.000 1.935 408 A HA -0.104 4.216 4.320 -0.000 0.000 0.214 408 A C 1.728 179.329 177.584 0.029 0.000 1.178 408 A CA 0.793 52.841 52.037 0.018 0.000 0.640 408 A CB -0.144 18.864 19.000 0.013 0.000 0.825 408 A HN 0.229 nan 8.150 nan 0.000 0.447 409 N N 0.551 119.270 118.700 0.032 0.000 2.120 409 N HA -0.125 4.615 4.740 -0.000 0.000 0.188 409 N C 1.625 177.190 175.510 0.092 0.000 1.024 409 N CA 1.624 54.705 53.050 0.051 0.000 0.852 409 N CB -0.556 37.957 38.487 0.043 0.000 1.003 409 N HN 0.215 nan 8.380 nan 0.000 0.424 410 V N 1.865 121.829 119.914 0.084 0.000 2.828 410 V HA -0.200 3.920 4.120 -0.000 0.000 0.260 410 V C 2.193 178.383 176.094 0.161 0.000 1.101 410 V CA 1.274 63.660 62.300 0.143 0.000 1.123 410 V CB -1.059 30.789 31.823 0.041 0.000 0.704 410 V HN 0.268 nan 8.190 nan 0.000 0.493 411 A N 2.246 125.120 122.820 0.091 0.000 1.952 411 A HA -0.263 4.057 4.320 -0.000 0.000 0.206 411 A C 2.320 179.939 177.584 0.060 0.000 1.213 411 A CA 2.277 54.353 52.037 0.064 0.000 0.690 411 A CB -0.723 18.299 19.000 0.036 0.000 0.854 411 A HN 0.632 nan 8.150 nan 0.000 0.485 412 R N -0.415 120.107 120.500 0.037 0.000 2.152 412 R HA 0.008 4.348 4.340 -0.000 0.000 0.232 412 R C 1.968 178.267 176.300 -0.001 0.000 1.117 412 R CA 1.518 57.627 56.100 0.015 0.000 0.981 412 R CB -1.087 29.214 30.300 0.002 0.000 0.870 412 R HN 0.447 nan 8.270 nan 0.000 0.451 413 G N 1.130 109.954 108.800 0.041 0.000 2.442 413 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 413 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 413 G C 1.626 176.357 174.900 -0.283 0.000 1.141 413 G CA 0.781 45.874 45.100 -0.011 0.000 0.763 413 G HN 0.498 nan 8.290 nan 0.000 0.554 414 A N 0.287 123.085 122.820 -0.037 0.000 1.968 414 A HA 0.159 4.479 4.320 -0.000 0.000 0.217 414 A C 2.421 179.944 177.584 -0.101 0.000 1.169 414 A CA 1.427 53.429 52.037 -0.059 0.000 0.638 414 A CB -0.216 18.883 19.000 0.165 0.000 0.812 414 A HN 0.305 nan 8.150 nan 0.000 0.446 415 R N -0.343 120.124 120.500 -0.054 0.000 2.153 415 R HA -0.030 4.310 4.340 -0.000 0.000 0.218 415 R C 2.406 178.671 176.300 -0.057 0.000 1.072 415 R CA 1.524 57.604 56.100 -0.032 0.000 0.990 415 R CB -0.477 29.827 30.300 0.006 0.000 0.889 415 R HN 0.743 nan 8.270 nan 0.000 0.452 416 T N -1.603 112.894 114.554 -0.096 0.000 2.674 416 T HA -0.125 4.225 4.350 -0.000 0.000 0.265 416 T C 1.962 176.597 174.700 -0.110 0.000 1.039 416 T CA 1.480 63.525 62.100 -0.092 0.000 1.150 416 T CB -0.757 68.048 68.868 -0.106 0.000 0.864 416 T HN -0.041 nan 8.240 nan 0.000 0.427 417 V N 2.246 122.047 119.914 -0.187 0.000 2.439 417 V HA -0.180 3.940 4.120 -0.000 0.000 0.253 417 V C 2.900 178.941 176.094 -0.089 0.000 1.074 417 V CA 2.086 64.287 62.300 -0.166 0.000 1.076 417 V CB -0.775 30.900 31.823 -0.247 0.000 0.664 417 V HN 0.513 nan 8.190 nan 0.000 0.461 418 E N -0.513 119.645 120.200 -0.070 0.000 2.230 418 E HA -0.035 4.315 4.350 -0.000 0.000 0.192 418 E C 2.193 178.776 176.600 -0.027 0.000 0.987 418 E CA 0.698 57.076 56.400 -0.037 0.000 0.841 418 E CB 0.028 29.717 29.700 -0.018 0.000 0.783 418 E HN 0.515 nan 8.360 nan 0.000 0.481 419 V N 1.139 121.034 119.914 -0.032 0.000 2.649 419 V HA -0.102 4.018 4.120 -0.000 0.000 0.248 419 V C 2.313 178.400 176.094 -0.012 0.000 1.054 419 V CA 0.755 63.040 62.300 -0.026 0.000 1.073 419 V CB -0.247 31.559 31.823 -0.029 0.000 0.699 419 V HN 0.182 nan 8.190 nan 0.000 0.463 420 L N -0.611 120.600 121.223 -0.021 0.000 2.056 420 L HA -0.061 4.279 4.340 -0.000 0.000 0.207 420 L C 1.144 178.009 176.870 -0.009 0.000 1.078 420 L CA 0.963 55.796 54.840 -0.012 0.000 0.749 420 L CB -0.524 41.520 42.059 -0.024 0.000 0.901 420 L HN 0.204 nan 8.230 nan 0.000 0.433 421 K N 1.715 122.104 120.400 -0.019 0.000 2.511 421 K HA -0.046 4.274 4.320 -0.000 0.000 0.280 421 K C -0.021 176.573 176.600 -0.010 0.000 1.008 421 K CA 0.624 56.899 56.287 -0.020 0.000 1.050 421 K CB 0.314 32.797 32.500 -0.028 0.000 0.889 421 K HN 0.155 nan 8.250 nan 0.000 0.484 422 Q N 2.029 121.821 119.800 -0.012 0.000 2.423 422 Q HA 0.159 4.499 4.340 -0.000 0.000 0.278 422 Q C -1.401 174.587 176.000 -0.019 0.000 1.097 422 Q CA -0.860 54.941 55.803 -0.004 0.000 0.809 422 Q CB 1.864 30.605 28.738 0.005 0.000 1.391 422 Q HN 0.467 nan 8.270 nan 0.000 0.428 423 D N 2.826 123.220 120.400 -0.011 0.000 2.277 423 D HA 0.194 4.834 4.640 -0.000 0.000 0.249 423 D C -0.039 176.244 176.300 -0.027 0.000 1.134 423 D CA -0.107 53.880 54.000 -0.022 0.000 0.863 423 D CB 1.016 41.812 40.800 -0.007 0.000 1.143 423 D HN 0.540 nan 8.370 nan 0.000 0.458 424 L N 2.931 124.112 121.223 -0.070 0.000 2.536 424 L HA -0.151 4.189 4.340 -0.000 0.000 0.294 424 L C 0.860 177.692 176.870 -0.064 0.000 1.257 424 L CA 0.528 55.280 54.840 -0.146 0.000 0.850 424 L CB 0.013 41.916 42.059 -0.261 0.000 1.105 424 L HN 0.752 nan 8.230 nan 0.000 0.517 425 H N 0.359 119.428 119.070 -0.003 0.000 3.329 425 H HA -0.211 4.345 4.556 -0.000 0.000 0.245 425 H C -0.340 175.036 175.328 0.080 0.000 1.099 425 H CA 0.999 57.060 56.048 0.023 0.000 1.186 425 H CB -0.878 28.922 29.762 0.065 0.000 1.243 425 H HN 0.610 nan 8.280 nan 0.000 0.319 426 Q N 0.714 120.591 119.800 0.129 0.000 2.644 426 Q HA 0.263 4.603 4.340 -0.000 0.000 0.245 426 Q C -2.724 173.289 176.000 0.022 0.000 1.064 426 Q CA -1.737 54.106 55.803 0.067 0.000 0.860 426 Q CB 1.592 30.349 28.738 0.032 0.000 1.145 426 Q HN 0.218 nan 8.270 nan 0.000 0.515 427 P HA 0.187 nan 4.420 nan 0.000 0.276 427 P C -0.446 176.814 177.300 -0.066 0.000 1.235 427 P CA 0.044 63.140 63.100 -0.006 0.000 0.772 427 P CB 0.826 32.536 31.700 0.017 0.000 0.871 428 I N 5.768 126.285 120.570 -0.088 0.000 2.339 428 I HA 0.302 4.472 4.170 -0.000 0.000 0.290 428 I C -1.957 174.082 176.117 -0.129 0.000 0.994 428 I CA -2.711 58.489 61.300 -0.167 0.000 1.191 428 I CB 1.908 39.801 38.000 -0.178 0.000 1.343 428 I HN 0.170 nan 8.210 nan 0.000 0.458 429 P HA 0.054 nan 4.420 nan 0.000 0.271 429 P C 1.005 178.253 177.300 -0.086 0.000 1.218 429 P CA -0.219 62.818 63.100 -0.107 0.000 0.780 429 P CB 1.425 33.055 31.700 -0.116 0.000 0.901 430 V N 2.837 122.719 119.914 -0.053 0.000 2.250 430 V HA -0.324 3.796 4.120 -0.000 0.000 0.250 430 V C 2.285 178.366 176.094 -0.022 0.000 1.060 430 V CA 2.454 64.737 62.300 -0.029 0.000 1.030 430 V CB -1.769 30.043 31.823 -0.019 0.000 0.643 430 V HN 0.491 nan 8.190 nan 0.000 0.445 431 E N 1.887 122.066 120.200 -0.035 0.000 2.035 431 E HA -0.296 4.054 4.350 -0.000 0.000 0.204 431 E C 2.100 178.684 176.600 -0.027 0.000 1.025 431 E CA 2.083 58.464 56.400 -0.031 0.000 0.835 431 E CB -0.596 29.076 29.700 -0.048 0.000 0.764 431 E HN 0.845 nan 8.360 nan 0.000 0.457 432 K N 0.768 121.137 120.400 -0.051 0.000 2.362 432 K HA -0.156 4.164 4.320 -0.000 0.000 0.200 432 K C 2.158 178.826 176.600 0.114 0.000 1.046 432 K CA 1.410 57.687 56.287 -0.017 0.000 0.952 432 K CB -0.011 32.444 32.500 -0.075 0.000 0.753 432 K HN 0.149 nan 8.250 nan 0.000 0.466 433 Q N 1.353 121.190 119.800 0.061 0.000 2.187 433 Q HA -0.081 4.259 4.340 -0.000 0.000 0.199 433 Q C 2.112 178.168 176.000 0.093 0.000 0.957 433 Q CA 1.185 57.051 55.803 0.105 0.000 0.857 433 Q CB 0.190 28.951 28.738 0.038 0.000 0.929 433 Q HN 0.395 nan 8.270 nan 0.000 0.453 434 V N -1.733 118.221 119.914 0.067 0.000 2.809 434 V HA -0.126 3.994 4.120 -0.000 0.000 0.256 434 V C 1.898 178.079 176.094 0.145 0.000 1.080 434 V CA 1.060 63.407 62.300 0.077 0.000 1.102 434 V CB -0.522 31.326 31.823 0.042 0.000 0.705 434 V HN 0.261 nan 8.190 nan 0.000 0.475 435 L N -0.705 120.604 121.223 0.144 0.000 2.095 435 L HA 0.038 4.378 4.340 -0.000 0.000 0.204 435 L C 2.534 179.567 176.870 0.272 0.000 1.080 435 L CA 1.147 56.130 54.840 0.238 0.000 0.759 435 L CB -0.451 41.634 42.059 0.042 0.000 0.914 435 L HN 0.248 nan 8.230 nan 0.000 0.439 436 I N -0.277 120.370 120.570 0.128 0.000 2.252 436 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 436 I C 2.273 178.440 176.117 0.084 0.000 1.102 436 I CA 1.244 62.577 61.300 0.056 0.000 1.385 436 I CB -0.337 37.588 38.000 -0.125 0.000 1.064 436 I HN 0.099 nan 8.210 nan 0.000 0.414 437 I N -0.764 119.876 120.570 0.116 0.000 2.614 437 I HA -0.293 3.877 4.170 -0.000 0.000 0.258 437 I C 2.247 178.476 176.117 0.187 0.000 1.189 437 I CA 1.243 62.610 61.300 0.111 0.000 1.462 437 I CB -0.392 37.661 38.000 0.089 0.000 1.092 437 I HN 0.253 nan 8.210 nan 0.000 0.442 438 Y N 1.379 121.729 120.300 0.083 0.000 2.138 438 Y HA -0.038 4.512 4.550 -0.000 0.000 0.286 438 Y C 2.405 178.396 175.900 0.152 0.000 1.115 438 Y CA 1.238 59.407 58.100 0.115 0.000 1.105 438 Y CB -1.322 37.227 38.460 0.149 0.000 1.004 438 Y HN 0.161 nan 8.280 nan 0.000 0.494 439 A N 2.000 124.873 122.820 0.089 0.000 1.882 439 A HA -0.291 4.029 4.320 -0.000 0.000 0.220 439 A C 2.418 180.026 177.584 0.040 0.000 1.253 439 A CA 3.078 55.135 52.037 0.033 0.000 0.664 439 A CB -1.795 17.204 19.000 -0.001 0.000 0.838 439 A HN 0.765 nan 8.150 nan 0.000 0.460 440 L N -3.157 118.099 121.223 0.055 0.000 2.353 440 L HA -0.050 4.290 4.340 -0.000 0.000 0.220 440 L C 2.043 178.915 176.870 0.003 0.000 1.133 440 L CA 2.321 57.179 54.840 0.031 0.000 0.798 440 L CB -0.820 41.258 42.059 0.031 0.000 0.922 440 L HN 0.353 nan 8.230 nan 0.000 0.445 441 T N -0.779 113.795 114.554 0.033 0.000 3.081 441 T HA 0.085 4.435 4.350 -0.000 0.000 0.250 441 T C 1.357 176.043 174.700 -0.023 0.000 1.100 441 T CA 0.126 62.244 62.100 0.030 0.000 1.038 441 T CB -0.028 68.889 68.868 0.081 0.000 0.962 441 T HN 0.289 nan 8.240 nan 0.000 0.516 442 R N -0.289 120.131 120.500 -0.133 0.000 2.613 442 R HA 0.398 4.738 4.340 -0.000 0.000 0.361 442 R C 1.392 177.255 176.300 -0.728 0.000 1.072 442 R CA 0.567 56.423 56.100 -0.406 0.000 1.089 442 R CB -0.401 29.609 30.300 -0.484 0.000 1.343 442 R HN 0.270 nan 8.270 nan 0.000 0.571 443 G N 0.103 108.678 108.800 -0.374 0.000 2.270 443 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.268 443 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.268 443 G C 0.479 175.229 174.900 -0.250 0.000 0.982 443 G CA 0.659 45.590 45.100 -0.283 0.000 0.628 443 G HN 0.375 nan 8.290 nan 0.000 0.544 444 F N 0.053 119.875 119.950 -0.214 0.000 2.706 444 F HA 0.356 4.883 4.527 -0.000 0.000 0.295 444 F C 2.070 177.758 175.800 -0.188 0.000 1.228 444 F CA 1.238 59.039 58.000 -0.333 0.000 1.474 444 F CB -0.327 38.371 39.000 -0.503 0.000 1.120 444 F HN 0.344 nan 8.300 nan 0.000 0.605 445 L N -1.817 119.434 121.223 0.046 0.000 3.154 445 L HA 0.098 4.438 4.340 -0.000 0.000 0.280 445 L C 1.887 178.757 176.870 -0.001 0.000 1.134 445 L CA 0.193 55.078 54.840 0.075 0.000 1.037 445 L CB -0.078 42.128 42.059 0.244 0.000 1.571 445 L HN -0.156 nan 8.230 nan 0.000 0.576 446 D N 1.022 121.414 120.400 -0.012 0.000 2.228 446 D HA -0.259 4.381 4.640 -0.000 0.000 0.203 446 D C 1.121 177.414 176.300 -0.012 0.000 0.988 446 D CA 1.804 55.798 54.000 -0.011 0.000 0.864 446 D CB 0.186 40.975 40.800 -0.019 0.000 0.928 446 D HN 0.651 nan 8.370 nan 0.000 0.469 447 D N -0.080 120.306 120.400 -0.022 0.000 2.224 447 D HA -0.122 4.518 4.640 -0.000 0.000 0.205 447 D C 1.080 177.354 176.300 -0.042 0.000 0.965 447 D CA 0.293 54.283 54.000 -0.017 0.000 0.852 447 D CB 0.054 40.859 40.800 0.009 0.000 0.947 447 D HN 0.276 nan 8.370 nan 0.000 0.494 448 I N 2.106 122.629 120.570 -0.078 0.000 2.342 448 I HA 0.219 4.389 4.170 -0.000 0.000 0.291 448 I C -2.252 173.848 176.117 -0.028 0.000 1.010 448 I CA -2.184 59.066 61.300 -0.084 0.000 1.308 448 I CB 1.456 39.346 38.000 -0.183 0.000 1.400 448 I HN -0.293 nan 8.210 nan 0.000 0.488 449 P HA -0.040 nan 4.420 nan 0.000 0.270 449 P C 1.138 178.448 177.300 0.016 0.000 1.223 449 P CA -0.343 62.760 63.100 0.005 0.000 0.785 449 P CB 0.609 32.312 31.700 0.004 0.000 0.923 450 V N 0.170 120.097 119.914 0.021 0.000 2.527 450 V HA -0.307 3.812 4.120 -0.000 0.000 0.255 450 V C 1.510 177.617 176.094 0.023 0.000 1.081 450 V CA 1.832 64.146 62.300 0.023 0.000 1.092 450 V CB -1.491 30.345 31.823 0.022 0.000 0.673 450 V HN 0.493 nan 8.190 nan 0.000 0.470 451 E N 0.762 120.974 120.200 0.020 0.000 2.085 451 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 451 E C 1.379 177.993 176.600 0.023 0.000 0.994 451 E CA 1.869 58.280 56.400 0.018 0.000 0.801 451 E CB -0.241 29.467 29.700 0.014 0.000 0.743 451 E HN 0.728 nan 8.360 nan 0.000 0.453 452 D N -0.653 119.764 120.400 0.029 0.000 2.424 452 D HA 0.052 4.692 4.640 -0.000 0.000 0.220 452 D C 1.154 177.508 176.300 0.090 0.000 1.150 452 D CA -0.060 53.967 54.000 0.044 0.000 0.831 452 D CB 0.820 41.635 40.800 0.026 0.000 0.981 452 D HN -0.092 nan 8.370 nan 0.000 0.500 453 V N 0.244 120.208 119.914 0.083 0.000 2.244 453 V HA -0.213 3.907 4.120 -0.000 0.000 0.244 453 V C 2.421 178.571 176.094 0.093 0.000 1.042 453 V CA 1.547 63.922 62.300 0.124 0.000 1.006 453 V CB -0.248 31.616 31.823 0.068 0.000 0.641 453 V HN 0.194 nan 8.190 nan 0.000 0.446 454 R N -0.583 119.941 120.500 0.041 0.000 2.120 454 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 454 R C 2.549 178.858 176.300 0.015 0.000 1.123 454 R CA 1.283 57.389 56.100 0.011 0.000 0.975 454 R CB -0.112 30.192 30.300 0.007 0.000 0.866 454 R HN 0.465 nan 8.270 nan 0.000 0.446 455 R N -0.759 119.769 120.500 0.047 0.000 2.073 455 R HA -0.122 4.218 4.340 -0.000 0.000 0.229 455 R C 2.115 178.468 176.300 0.088 0.000 1.120 455 R CA 1.243 57.371 56.100 0.047 0.000 0.967 455 R CB -0.448 29.884 30.300 0.053 0.000 0.862 455 R HN 0.175 nan 8.270 nan 0.000 0.436 456 F N 2.687 122.603 119.950 -0.056 0.000 2.120 456 F HA -0.201 4.326 4.527 0.000 0.000 0.300 456 F C 1.867 177.607 175.800 -0.101 0.000 1.095 456 F CA 1.472 59.434 58.000 -0.064 0.000 1.249 456 F CB -0.433 38.525 39.000 -0.069 0.000 0.995 456 F HN 0.020 nan 8.300 nan 0.000 0.480 457 E N 0.442 120.504 120.200 -0.230 0.000 2.012 457 E HA -0.252 4.098 4.350 -0.000 0.000 0.197 457 E C 2.207 178.553 176.600 -0.424 0.000 1.007 457 E CA 1.839 57.939 56.400 -0.500 0.000 0.816 457 E CB -0.169 29.338 29.700 -0.322 0.000 0.762 457 E HN 0.440 nan 8.360 nan 0.000 0.451 458 K N 0.718 121.041 120.400 -0.128 0.000 2.074 458 K HA -0.234 4.086 4.320 -0.000 0.000 0.209 458 K C 2.216 178.713 176.600 -0.171 0.000 1.048 458 K CA 1.434 57.705 56.287 -0.026 0.000 0.926 458 K CB -0.213 32.267 32.500 -0.033 0.000 0.713 458 K HN 0.201 nan 8.250 nan 0.000 0.444 459 E N 0.690 120.746 120.200 -0.239 0.000 2.005 459 E HA -0.221 4.129 4.350 -0.000 0.000 0.198 459 E C 1.917 178.189 176.600 -0.546 0.000 1.010 459 E CA 1.113 57.214 56.400 -0.498 0.000 0.825 459 E CB -0.177 29.446 29.700 -0.128 0.000 0.769 459 E HN 0.189 nan 8.360 nan 0.000 0.456 460 F N 0.720 120.467 119.950 -0.338 0.000 2.147 460 F HA -0.266 4.261 4.527 -0.000 0.000 0.301 460 F C 1.874 177.597 175.800 -0.129 0.000 1.084 460 F CA 1.301 59.192 58.000 -0.181 0.000 1.268 460 F CB -0.781 37.896 39.000 -0.539 0.000 1.009 460 F HN 0.195 nan 8.300 nan 0.000 0.486 461 Y N -0.256 119.921 120.300 -0.205 0.000 2.049 461 Y HA -0.253 4.297 4.550 0.000 0.000 0.277 461 Y C 2.709 178.503 175.900 -0.178 0.000 1.143 461 Y CA 1.290 59.236 58.100 -0.256 0.000 1.115 461 Y CB -1.312 37.028 38.460 -0.200 0.000 0.975 461 Y HN -0.057 nan 8.280 nan 0.000 0.487 462 L N -1.578 119.634 121.223 -0.019 0.000 2.127 462 L HA -0.279 4.061 4.340 -0.000 0.000 0.211 462 L C 2.225 179.218 176.870 0.204 0.000 1.089 462 L CA 1.635 56.462 54.840 -0.022 0.000 0.757 462 L CB -1.491 40.460 42.059 -0.181 0.000 0.899 462 L HN 0.502 nan 8.230 nan 0.000 0.434 463 W N -0.242 121.113 121.300 0.092 0.000 2.379 463 W HA -0.203 4.457 4.660 0.000 0.000 0.307 463 W C 2.487 179.041 176.519 0.058 0.000 1.200 463 W CA -0.145 57.266 57.345 0.109 0.000 1.297 463 W CB -0.228 29.356 29.460 0.206 0.000 1.140 463 W HN 0.063 nan 8.180 nan 0.000 0.507 464 L N 0.196 121.549 121.223 0.217 0.000 2.046 464 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 464 L C 1.953 178.842 176.870 0.032 0.000 1.077 464 L CA 1.145 55.997 54.840 0.019 0.000 0.747 464 L CB -0.882 41.020 42.059 -0.260 0.000 0.896 464 L HN -0.057 nan 8.230 nan 0.000 0.432 465 D N -0.603 119.821 120.400 0.040 0.000 2.271 465 D HA -0.233 4.407 4.640 -0.000 0.000 0.207 465 D C 1.941 178.278 176.300 0.063 0.000 0.983 465 D CA 1.139 55.154 54.000 0.026 0.000 0.878 465 D CB 0.091 40.901 40.800 0.017 0.000 0.920 465 D HN 0.505 nan 8.370 nan 0.000 0.479 466 Q N -0.184 119.689 119.800 0.122 0.000 2.363 466 Q HA -0.041 4.299 4.340 -0.000 0.000 0.192 466 Q C 1.619 177.694 176.000 0.125 0.000 0.994 466 Q CA 0.054 55.934 55.803 0.128 0.000 0.848 466 Q CB 0.235 29.081 28.738 0.179 0.000 0.987 466 Q HN -0.026 nan 8.270 nan 0.000 0.559 467 N N 0.521 119.309 118.700 0.147 0.000 2.058 467 N HA -0.099 4.641 4.740 -0.000 0.000 0.191 467 N C 1.536 177.173 175.510 0.212 0.000 1.037 467 N CA 1.603 54.746 53.050 0.155 0.000 0.848 467 N CB -0.800 37.767 38.487 0.133 0.000 1.021 467 N HN 0.404 nan 8.380 nan 0.000 0.422 468 G N 0.225 109.093 108.800 0.114 0.000 3.124 468 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.212 468 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.212 468 G C 1.059 175.889 174.900 -0.116 0.000 1.181 468 G CA -0.224 44.845 45.100 -0.052 0.000 0.803 468 G HN 0.337 nan 8.290 nan 0.000 0.529 469 Q N 0.514 120.325 119.800 0.019 0.000 2.561 469 Q HA -0.121 4.219 4.340 -0.000 0.000 0.217 469 Q C 1.999 177.986 176.000 -0.021 0.000 0.980 469 Q CA 1.059 56.860 55.803 -0.003 0.000 0.927 469 Q CB -0.023 28.737 28.738 0.038 0.000 0.980 469 Q HN 0.873 nan 8.270 nan 0.000 0.525 470 H N -2.544 116.491 119.070 -0.057 0.000 2.729 470 H HA 0.021 4.577 4.556 -0.000 0.000 0.263 470 H C 1.601 176.793 175.328 -0.226 0.000 0.961 470 H CA 0.020 55.992 56.048 -0.126 0.000 1.217 470 H CB 0.025 29.760 29.762 -0.046 0.000 1.447 470 H HN 0.243 nan 8.280 nan 0.000 0.496 471 L N 1.896 122.644 121.223 -0.793 0.000 2.168 471 L HA 0.009 4.349 4.340 -0.000 0.000 0.203 471 L C 2.280 179.046 176.870 -0.174 0.000 1.078 471 L CA 0.924 55.519 54.840 -0.409 0.000 0.780 471 L CB -0.682 41.130 42.059 -0.410 0.000 0.939 471 L HN 0.272 nan 8.230 nan 0.000 0.451 472 L N -1.992 119.122 121.223 -0.182 0.000 2.079 472 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 472 L C 2.142 178.952 176.870 -0.099 0.000 1.081 472 L CA 1.632 56.407 54.840 -0.107 0.000 0.752 472 L CB -1.805 40.191 42.059 -0.103 0.000 0.896 472 L HN 0.133 nan 8.230 nan 0.000 0.433 473 E N 0.318 120.418 120.200 -0.167 0.000 2.209 473 E HA -0.238 4.112 4.350 -0.000 0.000 0.196 473 E C 2.167 178.696 176.600 -0.118 0.000 0.993 473 E CA 1.781 58.085 56.400 -0.160 0.000 0.819 473 E CB -0.398 29.173 29.700 -0.215 0.000 0.745 473 E HN 0.778 nan 8.360 nan 0.000 0.477 474 H N -0.276 118.778 119.070 -0.026 0.000 2.395 474 H HA 0.031 4.587 4.556 -0.000 0.000 0.299 474 H C 2.223 177.540 175.328 -0.017 0.000 1.070 474 H CA 0.940 56.980 56.048 -0.014 0.000 1.356 474 H CB 0.105 29.861 29.762 -0.011 0.000 1.401 474 H HN 0.090 nan 8.280 nan 0.000 0.524 475 I N 0.281 120.906 120.570 0.091 0.000 2.252 475 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 475 I C 2.629 178.758 176.117 0.020 0.000 1.102 475 I CA 0.945 62.270 61.300 0.041 0.000 1.385 475 I CB -0.201 37.809 38.000 0.018 0.000 1.064 475 I HN 0.193 nan 8.210 nan 0.000 0.414 476 R N 1.376 121.878 120.500 0.003 0.000 2.155 476 R HA -0.196 4.144 4.340 -0.000 0.000 0.215 476 R C 2.510 178.812 176.300 0.004 0.000 1.123 476 R CA 2.915 59.011 56.100 -0.007 0.000 0.882 476 R CB -0.943 29.341 30.300 -0.027 0.000 0.789 476 R HN 0.404 nan 8.270 nan 0.000 0.452 477 T N -1.327 113.230 114.554 0.005 0.000 2.684 477 T HA -0.275 4.075 4.350 -0.000 0.000 0.267 477 T C 1.964 176.678 174.700 0.024 0.000 1.032 477 T CA 2.571 64.679 62.100 0.014 0.000 1.155 477 T CB -1.216 67.665 68.868 0.021 0.000 0.857 477 T HN 0.685 nan 8.240 nan 0.000 0.457 478 T N -1.649 112.927 114.554 0.036 0.000 3.035 478 T HA 0.237 4.587 4.350 -0.000 0.000 0.259 478 T C 1.179 175.890 174.700 0.018 0.000 1.078 478 T CA 0.826 62.944 62.100 0.030 0.000 1.132 478 T CB -0.271 68.620 68.868 0.038 0.000 0.900 478 T HN 0.427 nan 8.240 nan 0.000 0.480 479 K N 0.508 120.918 120.400 0.016 0.000 3.500 479 K HA -0.118 4.202 4.320 -0.000 0.000 0.313 479 K C -0.352 176.251 176.600 0.005 0.000 1.338 479 K CA 1.290 57.583 56.287 0.009 0.000 0.963 479 K CB -1.650 30.855 32.500 0.009 0.000 1.267 479 K HN 0.603 nan 8.250 nan 0.000 0.448 480 D N -0.467 119.937 120.400 0.005 0.000 2.450 480 D HA 0.589 5.229 4.640 -0.000 0.000 0.238 480 D C -0.595 175.699 176.300 -0.010 0.000 1.020 480 D CA -0.570 53.426 54.000 -0.005 0.000 1.010 480 D CB 1.114 41.911 40.800 -0.005 0.000 1.342 480 D HN 0.019 nan 8.370 nan 0.000 0.530 481 L N 2.377 123.582 121.223 -0.030 0.000 2.527 481 L HA 0.234 4.574 4.340 -0.000 0.000 0.261 481 L C -2.183 174.654 176.870 -0.056 0.000 1.534 481 L CA -1.163 53.649 54.840 -0.047 0.000 0.757 481 L CB 1.650 43.659 42.059 -0.083 0.000 0.999 481 L HN 0.135 nan 8.230 nan 0.000 0.517 482 P HA 0.153 nan 4.420 nan 0.000 0.285 482 P C 0.748 178.032 177.300 -0.027 0.000 1.372 482 P CA 0.179 63.259 63.100 -0.032 0.000 0.764 482 P CB 0.462 32.147 31.700 -0.025 0.000 1.744 483 N N -0.168 118.521 118.700 -0.020 0.000 2.083 483 N HA -0.101 4.639 4.740 -0.000 0.000 0.190 483 N C 1.705 177.211 175.510 -0.007 0.000 1.047 483 N CA 1.232 54.278 53.050 -0.007 0.000 0.845 483 N CB -0.666 37.818 38.487 -0.005 0.000 1.025 483 N HN 0.353 nan 8.380 nan 0.000 0.428 484 E N 1.122 121.304 120.200 -0.030 0.000 2.070 484 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 484 E C 1.359 177.942 176.600 -0.029 0.000 1.004 484 E CA 1.162 57.535 56.400 -0.045 0.000 0.805 484 E CB -0.055 29.579 29.700 -0.111 0.000 0.744 484 E HN 0.347 nan 8.360 nan 0.000 0.451 485 D N 0.470 120.844 120.400 -0.042 0.000 2.097 485 D HA -0.155 4.485 4.640 -0.000 0.000 0.195 485 D C 1.776 178.098 176.300 0.037 0.000 0.989 485 D CA 1.279 55.276 54.000 -0.005 0.000 0.827 485 D CB -0.243 40.546 40.800 -0.018 0.000 0.966 485 D HN 0.110 nan 8.370 nan 0.000 0.456 486 D N 0.563 120.968 120.400 0.008 0.000 2.097 486 D HA -0.103 4.537 4.640 -0.000 0.000 0.195 486 D C 2.421 178.807 176.300 0.143 0.000 0.989 486 D CA 0.761 54.779 54.000 0.031 0.000 0.827 486 D CB -0.167 40.628 40.800 -0.008 0.000 0.966 486 D HN 0.098 nan 8.370 nan 0.000 0.456 487 L N 0.234 121.519 121.223 0.103 0.000 1.976 487 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 487 L C 2.490 179.442 176.870 0.137 0.000 1.071 487 L CA 1.282 56.194 54.840 0.120 0.000 0.746 487 L CB -0.802 41.303 42.059 0.076 0.000 0.890 487 L HN 0.167 nan 8.230 nan 0.000 0.432 488 N N -0.049 118.716 118.700 0.108 0.000 2.000 488 N HA -0.275 4.465 4.740 -0.000 0.000 0.198 488 N C 1.844 177.435 175.510 0.135 0.000 1.057 488 N CA 1.883 55.002 53.050 0.114 0.000 0.858 488 N CB -0.319 38.231 38.487 0.105 0.000 1.057 488 N HN 0.416 nan 8.380 nan 0.000 0.423 489 Q N 0.586 120.490 119.800 0.173 0.000 2.217 489 Q HA -0.162 4.178 4.340 -0.000 0.000 0.209 489 Q C 2.132 178.200 176.000 0.114 0.000 0.988 489 Q CA 1.692 57.629 55.803 0.223 0.000 0.878 489 Q CB -0.190 28.802 28.738 0.423 0.000 0.909 489 Q HN 0.428 nan 8.270 nan 0.000 0.424 490 A N 0.735 123.692 122.820 0.229 0.000 1.865 490 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 490 A C 1.993 179.513 177.584 -0.107 0.000 1.191 490 A CA 1.472 53.610 52.037 0.167 0.000 0.623 490 A CB -0.569 18.700 19.000 0.449 0.000 0.826 490 A HN 0.362 nan 8.150 nan 0.000 0.444 491 I N -0.652 119.989 120.570 0.119 0.000 2.761 491 I HA -0.096 4.074 4.170 -0.000 0.000 0.261 491 I C 1.989 178.147 176.117 0.069 0.000 1.198 491 I CA 0.616 62.040 61.300 0.207 0.000 1.482 491 I CB -0.273 37.796 38.000 0.114 0.000 1.100 491 I HN 0.239 nan 8.210 nan 0.000 0.445 492 E N 1.284 121.479 120.200 -0.008 0.000 2.208 492 E HA -0.073 4.277 4.350 -0.000 0.000 0.193 492 E C 2.340 178.890 176.600 -0.084 0.000 0.988 492 E CA 1.093 57.499 56.400 0.011 0.000 0.828 492 E CB -0.150 29.602 29.700 0.086 0.000 0.763 492 E HN 0.444 nan 8.360 nan 0.000 0.478 493 A N 0.547 123.140 122.820 -0.377 0.000 1.933 493 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 493 A C 1.936 179.126 177.584 -0.657 0.000 1.175 493 A CA 0.931 52.579 52.037 -0.648 0.000 0.628 493 A CB -0.753 17.447 19.000 -1.333 0.000 0.814 493 A HN 0.138 nan 8.150 nan 0.000 0.444 494 F N 0.576 120.138 119.950 -0.647 0.000 2.216 494 F HA -0.139 4.388 4.527 0.000 0.000 0.300 494 F C 2.276 177.838 175.800 -0.397 0.000 1.085 494 F CA 1.479 59.034 58.000 -0.742 0.000 1.326 494 F CB -0.100 38.402 39.000 -0.831 0.000 1.027 494 F HN 0.071 nan 8.300 nan 0.000 0.497 495 K N 0.391 120.772 120.400 -0.032 0.000 2.113 495 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 495 K C 1.853 178.468 176.600 0.026 0.000 1.047 495 K CA 1.446 57.750 56.287 0.028 0.000 0.928 495 K CB -0.295 32.236 32.500 0.053 0.000 0.716 495 K HN 0.226 nan 8.250 nan 0.000 0.446 496 K N -0.458 119.956 120.400 0.023 0.000 2.121 496 K HA 0.009 4.329 4.320 -0.000 0.000 0.203 496 K C 2.185 178.827 176.600 0.070 0.000 1.041 496 K CA 1.418 57.762 56.287 0.095 0.000 0.969 496 K CB -0.987 31.727 32.500 0.356 0.000 0.799 496 K HN 0.245 nan 8.250 nan 0.000 0.456 497 T N -0.237 114.271 114.554 -0.077 0.000 2.737 497 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 497 T C 0.946 175.805 174.700 0.265 0.000 1.040 497 T CA 1.076 63.118 62.100 -0.096 0.000 1.142 497 T CB -0.373 68.337 68.868 -0.263 0.000 0.861 497 T HN -0.066 nan 8.240 nan 0.000 0.456 498 F N 0.894 120.841 119.950 -0.005 0.000 2.873 498 F HA 0.620 5.147 4.527 -0.000 0.000 0.289 498 F C 1.115 176.904 175.800 -0.019 0.000 1.206 498 F CA -1.616 56.394 58.000 0.017 0.000 1.401 498 F CB -0.199 38.841 39.000 0.067 0.000 0.996 498 F HN 0.089 nan 8.300 nan 0.000 0.511 499 V N -0.702 119.294 119.914 0.137 0.000 4.370 499 V HA 0.062 4.182 4.120 -0.000 0.000 0.404 499 V C -0.034 176.095 176.094 0.059 0.000 1.779 499 V CA -0.003 62.319 62.300 0.037 0.000 1.757 499 V CB 0.025 31.815 31.823 -0.056 0.000 1.041 499 V HN -0.064 nan 8.190 nan 0.000 0.433 500 V N -0.191 119.781 119.914 0.097 0.000 3.083 500 V HA 0.724 4.844 4.120 -0.000 0.000 0.306 500 V C 0.716 176.860 176.094 0.083 0.000 1.077 500 V CA 0.191 62.572 62.300 0.135 0.000 1.073 500 V CB 1.302 33.153 31.823 0.047 0.000 1.081 500 V HN 0.259 nan 8.190 nan 0.000 0.474 501 S N 1.663 117.426 115.700 0.105 0.000 2.661 501 S HA 0.405 4.875 4.470 -0.000 0.000 0.265 501 S C -0.068 174.549 174.600 0.028 0.000 1.225 501 S CA -0.638 57.602 58.200 0.067 0.000 0.986 501 S CB 0.633 63.885 63.200 0.086 0.000 1.008 501 S HN 0.890 nan 8.310 nan 0.000 0.565 502 Q N 0.000 119.811 119.800 0.018 0.000 2.315 502 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 502 Q CA 0.000 55.804 55.803 0.002 0.000 1.022 502 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 502 Q HN 0.000 nan 8.270 nan 0.000 0.481