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 3lso_1_B DATA FIRST_RESID 44 DATA SEQUENCE NTVTSDVDcS VSAAWGLYKF NQKSNFSAEF EXPESVKAGT GFDALIKIKD DATA SEQUENCE ISVSNDNLSG YKNAKLTKSS IRINVGKNVK LDGNQPGLSL SNGVLSINDH DATA SEQUENCE LKASLEGNSL RISAAPITVR LQALTEGTLT FIPEKTILTN TASVDGYTAN DATA SEQUENCE TTcTTNADKP FATVKVDPAD GLTITAPESA SIKQDVQITA TVPEKLNEKX DATA SEQUENCE DGKVQFFVNH IAAGDPVPVT EDNKASTSII FDTSGSKTIT ARFIDAEGYN DATA SEQUENCE PAPDGETIIP VVTELDTKKP EDTDSYTGLI NGSATSLLKP AKVXPGEKVS DATA SEQUENCE VSASLLPNKA PIRVYEIGIN APEDVKYIDG TGKTNYSSKL ATTGSVFSSP DATA SEQUENCE GSGYYDPEWK NESKKPNESY RGFHSDTSYS VVDTSPQTVS AEFEIPXTLA DATA SEQUENCE PGIYXFQXGV YKYSNSLKDL VSIPETAFEI AGPDLPALPE RKIKP 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 44 N HA 0.000 nan 4.740 nan 0.000 0.220 44 N C 0.000 175.582 175.510 0.120 0.000 1.280 44 N CA 0.000 53.100 53.050 0.084 0.000 0.885 44 N CB 0.000 38.541 38.487 0.091 0.000 1.341 45 T N 0.928 115.541 114.554 0.099 0.000 2.753 45 T HA 0.552 4.902 4.350 -0.000 0.000 0.297 45 T C -0.502 174.278 174.700 0.132 0.000 0.981 45 T CA -0.228 61.938 62.100 0.110 0.000 0.956 45 T CB 0.050 68.952 68.868 0.057 0.000 0.936 45 T HN 0.472 nan 8.240 nan 0.000 0.463 46 V N 6.762 126.810 119.914 0.224 0.000 2.294 46 V HA 0.420 4.540 4.120 -0.000 0.000 0.272 46 V C 0.993 177.254 176.094 0.280 0.000 1.027 46 V CA -0.917 61.538 62.300 0.259 0.000 0.823 46 V CB 0.475 32.488 31.823 0.315 0.000 1.030 46 V HN 1.041 nan 8.190 nan 0.000 0.457 47 T N 1.599 116.252 114.554 0.164 0.000 2.902 47 T HA 0.834 5.184 4.350 -0.000 0.000 0.280 47 T C -0.032 174.769 174.700 0.168 0.000 0.992 47 T CA -0.250 61.941 62.100 0.151 0.000 1.015 47 T CB 1.789 70.707 68.868 0.083 0.000 1.044 47 T HN 1.070 nan 8.240 nan 0.000 0.520 48 S N 0.005 115.818 115.700 0.189 0.000 2.606 48 S HA 0.304 4.773 4.470 -0.000 0.000 0.290 48 S C -1.897 172.799 174.600 0.160 0.000 1.103 48 S CA -1.164 57.133 58.200 0.161 0.000 0.870 48 S CB 0.664 63.969 63.200 0.175 0.000 1.077 48 S HN 0.722 nan 8.310 nan 0.000 0.448 49 D N 1.910 122.371 120.400 0.102 0.000 2.458 49 D HA 0.415 5.055 4.640 -0.000 0.000 0.243 49 D C 0.602 176.948 176.300 0.077 0.000 1.146 49 D CA 0.154 54.204 54.000 0.083 0.000 0.877 49 D CB 1.170 42.002 40.800 0.053 0.000 1.176 49 D HN 0.764 nan 8.370 nan 0.000 0.461 50 V N -0.591 119.368 119.914 0.075 0.000 2.815 50 V HA 0.569 4.689 4.120 -0.000 0.000 0.314 50 V C -0.298 175.811 176.094 0.025 0.000 1.064 50 V CA -0.929 61.395 62.300 0.041 0.000 0.952 50 V CB 2.561 34.406 31.823 0.037 0.000 1.020 50 V HN 0.276 nan 8.190 nan 0.000 0.439 51 D N 1.731 122.132 120.400 0.002 0.000 2.440 51 D HA 0.430 5.070 4.640 -0.000 0.000 0.252 51 D C -1.021 175.264 176.300 -0.025 0.000 1.180 51 D CA -0.052 53.946 54.000 -0.005 0.000 0.894 51 D CB 1.304 42.100 40.800 -0.007 0.000 1.111 51 D HN 0.827 nan 8.370 nan 0.000 0.544 52 c N 2.344 120.928 118.600 -0.027 0.000 2.330 52 c HA 0.577 5.147 4.570 -0.000 0.000 0.344 52 c C 0.595 174.627 174.090 -0.097 0.000 1.273 52 c CA -0.547 55.747 56.329 -0.058 0.000 1.879 52 c CB 0.409 42.892 42.510 -0.046 0.000 2.376 52 c HN 0.475 nan 8.230 nan 0.000 0.534 53 S N 1.902 117.529 115.700 -0.123 0.000 2.451 53 S HA 0.582 5.052 4.470 -0.000 0.000 0.301 53 S C -0.299 174.151 174.600 -0.250 0.000 1.116 53 S CA -0.477 57.618 58.200 -0.174 0.000 1.093 53 S CB 1.174 64.301 63.200 -0.122 0.000 1.017 53 S HN 0.537 nan 8.310 nan 0.000 0.482 54 V N 2.668 122.324 119.914 -0.429 0.000 2.483 54 V HA 0.629 4.749 4.120 -0.000 0.000 0.295 54 V C 0.082 175.981 176.094 -0.325 0.000 1.035 54 V CA -0.555 61.453 62.300 -0.486 0.000 0.896 54 V CB 1.760 32.974 31.823 -1.015 0.000 0.986 54 V HN 0.798 nan 8.190 nan 0.000 0.447 55 S N 3.152 118.741 115.700 -0.185 0.000 2.659 55 S HA 0.825 5.295 4.470 -0.000 0.000 0.312 55 S C -0.371 174.190 174.600 -0.066 0.000 1.114 55 S CA -0.075 58.072 58.200 -0.088 0.000 1.063 55 S CB 0.972 64.132 63.200 -0.066 0.000 0.996 55 S HN 1.145 nan 8.310 nan 0.000 0.478 56 A N 3.281 126.107 122.820 0.010 0.000 2.384 56 A HA 0.927 5.247 4.320 -0.000 0.000 0.312 56 A C 0.480 178.037 177.584 -0.044 0.000 1.113 56 A CA -0.235 51.770 52.037 -0.054 0.000 0.779 56 A CB 0.887 19.857 19.000 -0.051 0.000 1.307 56 A HN 2.278 nan 8.150 nan 0.000 0.436 57 A N 0.482 123.164 122.820 -0.230 0.000 2.734 57 A HA -0.066 4.253 4.320 -0.000 0.000 0.296 57 A C 0.529 178.195 177.584 0.136 0.000 1.474 57 A CA 0.849 52.791 52.037 -0.157 0.000 0.735 57 A CB -2.504 16.627 19.000 0.218 0.000 1.062 57 A HN 2.071 nan 8.150 nan 0.000 0.463 58 W N -2.545 118.821 121.300 0.109 0.000 4.849 58 W HA -0.201 4.459 4.660 -0.000 0.000 0.358 58 W C 1.450 178.010 176.519 0.069 0.000 1.331 58 W CA 1.480 58.869 57.345 0.074 0.000 0.844 58 W CB -2.163 27.337 29.460 0.067 0.000 2.434 58 W HN 2.617 nan 8.180 nan 0.000 1.458 59 G N -0.974 107.916 108.800 0.151 0.000 2.179 59 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.260 59 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.260 59 G C 0.655 175.638 174.900 0.139 0.000 0.977 59 G CA 0.381 45.551 45.100 0.117 0.000 0.641 59 G HN 0.377 nan 8.290 nan 0.000 0.533 60 L N -0.981 120.364 121.223 0.204 0.000 2.591 60 L HA 0.402 4.742 4.340 -0.000 0.000 0.228 60 L C 0.693 177.700 176.870 0.228 0.000 1.133 60 L CA 0.177 55.140 54.840 0.205 0.000 0.880 60 L CB 0.289 42.500 42.059 0.252 0.000 1.033 60 L HN 0.295 nan 8.230 nan 0.000 0.450 61 Y N 1.057 121.394 120.300 0.062 0.000 2.445 61 Y HA 0.356 4.906 4.550 -0.000 0.000 0.332 61 Y C -0.543 175.400 175.900 0.071 0.000 1.037 61 Y CA -0.977 57.160 58.100 0.061 0.000 1.296 61 Y CB 0.637 39.105 38.460 0.015 0.000 1.099 61 Y HN -0.127 nan 8.280 nan 0.000 0.496 62 K N 6.937 127.310 120.400 -0.046 0.000 2.358 62 K HA 0.499 4.819 4.320 -0.000 0.000 0.260 62 K C -1.212 175.382 176.600 -0.010 0.000 0.956 62 K CA -0.641 55.624 56.287 -0.037 0.000 0.834 62 K CB 1.660 34.138 32.500 -0.036 0.000 1.102 62 K HN 0.517 nan 8.250 nan 0.000 0.431 63 F N -0.007 119.876 119.950 -0.111 0.000 2.790 63 F HA 0.677 5.204 4.527 -0.001 0.000 0.337 63 F C -1.270 174.506 175.800 -0.040 0.000 1.163 63 F CA -1.178 56.765 58.000 -0.094 0.000 0.997 63 F CB 1.558 40.495 39.000 -0.105 0.000 1.437 63 F HN 0.383 nan 8.300 nan 0.000 0.512 64 N N 0.463 119.204 118.700 0.069 0.000 2.718 64 N HA 0.239 4.978 4.740 -0.000 0.000 0.260 64 N C -2.312 173.247 175.510 0.083 0.000 1.089 64 N CA -0.283 52.763 53.050 -0.007 0.000 1.021 64 N CB 1.892 40.384 38.487 0.008 0.000 1.618 64 N HN 0.863 nan 8.380 nan 0.000 0.554 65 Q N 2.524 122.349 119.800 0.042 0.000 2.263 65 Q HA 0.314 4.654 4.340 -0.000 0.000 0.262 65 Q C -1.231 174.795 176.000 0.044 0.000 0.984 65 Q CA -0.683 55.165 55.803 0.074 0.000 0.813 65 Q CB 1.302 30.119 28.738 0.131 0.000 1.299 65 Q HN 0.480 nan 8.270 nan 0.000 0.428 66 K N 1.400 121.825 120.400 0.043 0.000 2.326 66 K HA 0.356 4.676 4.320 -0.000 0.000 0.275 66 K C -0.396 176.234 176.600 0.050 0.000 1.018 66 K CA 0.256 56.566 56.287 0.038 0.000 0.962 66 K CB 1.391 33.911 32.500 0.033 0.000 0.953 66 K HN 0.525 nan 8.250 nan 0.000 0.475 67 S N 1.769 117.502 115.700 0.055 0.000 2.929 67 S HA 0.427 4.897 4.470 -0.000 0.000 0.311 67 S C -1.698 172.954 174.600 0.087 0.000 1.213 67 S CA -0.895 57.347 58.200 0.070 0.000 0.908 67 S CB 1.087 64.334 63.200 0.078 0.000 1.287 67 S HN 0.697 nan 8.310 nan 0.000 0.594 68 N N -0.140 118.626 118.700 0.111 0.000 2.287 68 N HA 0.574 5.313 4.740 -0.000 0.000 0.289 68 N C -2.155 173.479 175.510 0.207 0.000 1.066 68 N CA -0.386 52.747 53.050 0.138 0.000 0.841 68 N CB 1.913 40.455 38.487 0.093 0.000 1.599 68 N HN 0.414 nan 8.380 nan 0.000 0.476 69 F N 2.418 122.406 119.950 0.065 0.000 2.500 69 F HA 0.489 5.016 4.527 -0.000 0.000 0.349 69 F C -0.740 175.118 175.800 0.096 0.000 1.127 69 F CA -0.633 57.410 58.000 0.072 0.000 0.998 69 F CB 0.797 39.846 39.000 0.082 0.000 1.237 69 F HN 0.385 nan 8.300 nan 0.000 0.439 70 S N 4.829 120.285 115.700 -0.405 0.000 2.437 70 S HA 0.951 5.421 4.470 -0.000 0.000 0.305 70 S C -0.607 173.702 174.600 -0.485 0.000 1.109 70 S CA -0.398 57.621 58.200 -0.301 0.000 1.099 70 S CB 1.531 64.658 63.200 -0.121 0.000 1.004 70 S HN 1.058 nan 8.310 nan 0.000 0.475 71 A N 2.129 124.761 122.820 -0.313 0.000 2.515 71 A HA 0.769 5.089 4.320 -0.000 0.000 0.298 71 A C -0.922 176.660 177.584 -0.004 0.000 1.059 71 A CA -0.780 51.102 52.037 -0.257 0.000 0.698 71 A CB 1.598 20.362 19.000 -0.392 0.000 1.289 71 A HN 0.909 nan 8.150 nan 0.000 0.404 72 E N 1.413 121.603 120.200 -0.016 0.000 2.155 72 E HA 0.560 4.909 4.350 -0.000 0.000 0.264 72 E C -1.887 174.758 176.600 0.075 0.000 0.886 72 E CA -0.406 56.046 56.400 0.087 0.000 0.752 72 E CB 0.730 30.447 29.700 0.029 0.000 1.133 72 E HN 0.411 nan 8.360 nan 0.000 0.414 73 F N 3.909 123.886 119.950 0.045 0.000 2.384 73 F HA 0.243 4.770 4.527 0.000 0.000 0.359 73 F C 0.525 176.379 175.800 0.090 0.000 1.143 73 F CA -0.379 57.670 58.000 0.082 0.000 1.216 73 F CB 0.569 39.679 39.000 0.183 0.000 1.512 73 F HN 0.466 nan 8.300 nan 0.000 0.573 77 E N 0.262 120.419 120.200 -0.072 0.000 2.072 77 E HA 0.051 4.401 4.350 -0.000 0.000 0.190 77 E C 0.622 177.146 176.600 -0.126 0.000 0.982 77 E CA 1.276 57.627 56.400 -0.082 0.000 0.803 77 E CB 0.123 29.789 29.700 -0.056 0.000 0.755 77 E HN 0.566 nan 8.360 nan 0.000 0.453 78 S N -0.394 115.221 115.700 -0.141 0.000 2.564 78 S HA 0.570 5.040 4.470 -0.000 0.000 0.274 78 S C -0.519 173.953 174.600 -0.213 0.000 1.124 78 S CA -0.882 57.216 58.200 -0.170 0.000 0.869 78 S CB 2.052 65.186 63.200 -0.111 0.000 1.105 78 S HN 0.010 nan 8.310 nan 0.000 0.472 79 V N -1.086 118.671 119.914 -0.260 0.000 3.182 79 V HA 0.753 4.873 4.120 -0.000 0.000 0.308 79 V C -1.303 174.708 176.094 -0.139 0.000 1.240 79 V CA -1.427 60.730 62.300 -0.238 0.000 1.063 79 V CB 1.517 33.062 31.823 -0.463 0.000 1.076 79 V HN 1.177 nan 8.190 nan 0.000 0.446 80 K N 1.251 121.612 120.400 -0.065 0.000 2.156 80 K HA 0.859 5.179 4.320 -0.000 0.000 0.254 80 K C -0.031 176.582 176.600 0.022 0.000 0.950 80 K CA -0.152 56.122 56.287 -0.022 0.000 0.849 80 K CB 1.993 34.486 32.500 -0.011 0.000 1.100 80 K HN 1.266 nan 8.250 nan 0.000 0.434 81 A N 1.211 124.045 122.820 0.024 0.000 2.565 81 A HA 0.330 4.650 4.320 -0.000 0.000 0.237 81 A C 1.355 178.973 177.584 0.055 0.000 1.053 81 A CA 0.978 53.044 52.037 0.050 0.000 0.755 81 A CB -1.081 17.938 19.000 0.032 0.000 0.980 81 A HN 1.186 nan 8.150 nan 0.000 0.506 82 G N 1.892 110.739 108.800 0.078 0.000 2.179 82 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.260 82 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.260 82 G C 0.432 175.376 174.900 0.072 0.000 0.977 82 G CA 0.696 45.833 45.100 0.062 0.000 0.641 82 G HN 1.260 nan 8.290 nan 0.000 0.533 83 T N 1.433 116.051 114.554 0.105 0.000 2.749 83 T HA 0.588 4.938 4.350 -0.000 0.000 0.287 83 T C 0.920 175.751 174.700 0.218 0.000 0.970 83 T CA 0.338 62.512 62.100 0.123 0.000 0.980 83 T CB 1.478 70.404 68.868 0.096 0.000 0.924 83 T HN 0.989 nan 8.240 nan 0.000 0.456 84 G N 2.654 111.539 108.800 0.142 0.000 2.491 84 G HA2 0.505 4.464 3.960 -0.000 0.000 0.238 84 G HA3 0.505 4.464 3.960 -0.000 0.000 0.238 84 G C -0.621 174.415 174.900 0.226 0.000 1.277 84 G CA -0.249 44.911 45.100 0.100 0.000 0.851 84 G HN 0.688 nan 8.290 nan 0.000 0.573 85 F N -1.252 118.720 119.950 0.036 0.000 2.713 85 F HA 0.550 5.076 4.527 -0.000 0.000 0.311 85 F C -1.266 174.563 175.800 0.049 0.000 1.141 85 F CA -1.601 56.422 58.000 0.039 0.000 0.939 85 F CB 1.402 40.426 39.000 0.040 0.000 1.325 85 F HN 0.299 nan 8.300 nan 0.000 0.453 86 D N 1.675 122.199 120.400 0.207 0.000 2.278 86 D HA 0.536 5.176 4.640 -0.000 0.000 0.245 86 D C -0.915 175.496 176.300 0.185 0.000 1.052 86 D CA -0.246 53.810 54.000 0.094 0.000 0.834 86 D CB 2.152 42.994 40.800 0.070 0.000 1.194 86 D HN 0.904 nan 8.370 nan 0.000 0.481 87 A N 2.480 125.370 122.820 0.118 0.000 2.258 87 A HA 0.421 4.741 4.320 -0.000 0.000 0.316 87 A C -0.631 176.955 177.584 0.004 0.000 1.279 87 A CA -0.654 51.473 52.037 0.149 0.000 0.876 87 A CB 0.543 19.693 19.000 0.250 0.000 1.170 87 A HN 0.434 nan 8.150 nan 0.000 0.520 88 L N 4.331 125.547 121.223 -0.012 0.000 2.255 88 L HA 0.555 4.894 4.340 -0.000 0.000 0.289 88 L C -0.742 176.003 176.870 -0.210 0.000 1.046 88 L CA -0.069 54.720 54.840 -0.084 0.000 0.816 88 L CB 0.368 42.407 42.059 -0.035 0.000 1.197 88 L HN 0.576 nan 8.230 nan 0.000 0.427 89 I N 5.691 126.069 120.570 -0.320 0.000 2.307 89 I HA 0.294 4.464 4.170 -0.000 0.000 0.289 89 I C -0.035 175.917 176.117 -0.274 0.000 1.021 89 I CA -0.437 60.569 61.300 -0.490 0.000 1.224 89 I CB 0.637 38.211 38.000 -0.711 0.000 1.376 89 I HN 0.467 nan 8.210 nan 0.000 0.470 90 K N 7.629 127.898 120.400 -0.218 0.000 2.264 90 K HA 0.533 4.852 4.320 -0.000 0.000 0.277 90 K C -0.672 175.826 176.600 -0.170 0.000 1.067 90 K CA -0.364 55.836 56.287 -0.145 0.000 0.900 90 K CB 1.344 33.789 32.500 -0.092 0.000 1.124 90 K HN 0.527 nan 8.250 nan 0.000 0.469 91 I N 3.439 123.913 120.570 -0.160 0.000 2.312 91 I HA 0.131 4.301 4.170 -0.000 0.000 0.290 91 I C 0.130 176.160 176.117 -0.145 0.000 1.008 91 I CA -0.860 60.322 61.300 -0.197 0.000 1.226 91 I CB 1.053 38.954 38.000 -0.164 0.000 1.371 91 I HN 0.310 nan 8.210 nan 0.000 0.468 92 K N 5.019 125.318 120.400 -0.168 0.000 2.368 92 K HA 0.103 4.422 4.320 -0.000 0.000 0.282 92 K C -0.568 175.984 176.600 -0.082 0.000 1.035 92 K CA -0.253 55.970 56.287 -0.106 0.000 0.973 92 K CB 0.346 32.787 32.500 -0.099 0.000 0.957 92 K HN 0.360 nan 8.250 nan 0.000 0.474 93 D N 2.650 123.025 120.400 -0.042 0.000 2.601 93 D HA -0.026 4.614 4.640 -0.000 0.000 0.229 93 D C -0.032 176.266 176.300 -0.003 0.000 1.140 93 D CA 0.816 54.808 54.000 -0.014 0.000 0.862 93 D CB 0.068 40.865 40.800 -0.005 0.000 1.192 93 D HN 0.482 nan 8.370 nan 0.000 0.480 94 I N -1.831 118.753 120.570 0.023 0.000 2.410 94 I HA 0.450 4.620 4.170 -0.000 0.000 0.286 94 I C -0.596 175.549 176.117 0.046 0.000 1.009 94 I CA -0.748 60.578 61.300 0.043 0.000 1.111 94 I CB 1.941 39.989 38.000 0.081 0.000 1.262 94 I HN 0.089 nan 8.210 nan 0.000 0.443 95 S N 6.461 122.186 115.700 0.041 0.000 2.456 95 S HA 0.741 5.211 4.470 -0.000 0.000 0.316 95 S C -0.508 174.119 174.600 0.046 0.000 1.089 95 S CA -0.492 57.731 58.200 0.039 0.000 1.101 95 S CB 1.254 64.472 63.200 0.029 0.000 0.995 95 S HN 0.754 nan 8.310 nan 0.000 0.468 96 V N 2.816 122.761 119.914 0.053 0.000 2.525 96 V HA 0.665 4.784 4.120 -0.000 0.000 0.299 96 V C -0.118 176.010 176.094 0.056 0.000 1.034 96 V CA -0.693 61.642 62.300 0.059 0.000 0.863 96 V CB 1.261 33.131 31.823 0.077 0.000 0.999 96 V HN 0.683 nan 8.190 nan 0.000 0.423 97 S N 4.314 120.041 115.700 0.045 0.000 2.465 97 S HA 0.567 5.037 4.470 -0.000 0.000 0.279 97 S C -0.177 174.445 174.600 0.037 0.000 1.201 97 S CA -0.097 58.124 58.200 0.036 0.000 1.053 97 S CB 0.306 63.521 63.200 0.025 0.000 0.953 97 S HN 0.944 nan 8.310 nan 0.000 0.488 98 N N 1.524 120.242 118.700 0.030 0.000 2.397 98 N HA 0.302 5.042 4.740 -0.000 0.000 0.291 98 N C -0.296 175.189 175.510 -0.040 0.000 1.065 98 N CA -0.516 52.536 53.050 0.005 0.000 0.884 98 N CB 1.611 40.122 38.487 0.040 0.000 1.551 98 N HN 0.241 nan 8.380 nan 0.000 0.487 99 D N 0.753 121.116 120.400 -0.063 0.000 2.263 99 D HA -0.053 4.587 4.640 -0.000 0.000 0.208 99 D C 0.781 177.014 176.300 -0.113 0.000 0.971 99 D CA 0.861 54.818 54.000 -0.072 0.000 0.867 99 D CB 0.162 40.925 40.800 -0.063 0.000 0.929 99 D HN 0.503 nan 8.370 nan 0.000 0.492 100 N N -0.066 118.491 118.700 -0.240 0.000 2.609 100 N HA -0.055 4.685 4.740 -0.000 0.000 0.190 100 N C 1.024 176.451 175.510 -0.138 0.000 1.157 100 N CA 0.342 53.165 53.050 -0.379 0.000 0.918 100 N CB 0.287 38.012 38.487 -1.270 0.000 0.978 100 N HN 0.335 nan 8.380 nan 0.000 0.448 101 L N -0.667 120.547 121.223 -0.015 0.000 2.766 101 L HA 0.226 4.566 4.340 -0.000 0.000 0.242 101 L C 1.106 178.066 176.870 0.151 0.000 1.136 101 L CA -0.228 54.718 54.840 0.177 0.000 0.933 101 L CB -0.193 41.938 42.059 0.120 0.000 1.241 101 L HN -0.113 nan 8.230 nan 0.000 0.522 102 S N 0.867 116.561 115.700 -0.010 0.000 2.563 102 S HA 0.366 4.836 4.470 -0.000 0.000 0.294 102 S C 1.479 175.886 174.600 -0.322 0.000 1.279 102 S CA 0.678 58.813 58.200 -0.107 0.000 1.069 102 S CB -0.073 63.067 63.200 -0.099 0.000 0.828 102 S HN 0.547 nan 8.310 nan 0.000 0.497 103 G N 1.025 109.653 108.800 -0.287 0.000 2.194 103 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.236 103 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.236 103 G C -0.114 174.531 174.900 -0.425 0.000 0.987 103 G CA 0.214 45.073 45.100 -0.403 0.000 0.635 103 G HN 0.778 nan 8.290 nan 0.000 0.520 104 Y N 1.144 121.432 120.300 -0.019 0.000 2.341 104 Y HA 0.602 5.151 4.550 -0.001 0.000 0.340 104 Y C 1.462 177.362 175.900 0.000 0.000 0.997 104 Y CA 0.297 58.392 58.100 -0.008 0.000 1.149 104 Y CB 1.074 39.525 38.460 -0.015 0.000 1.171 104 Y HN 0.290 nan 8.280 nan 0.000 0.494 105 K N 2.246 122.732 120.400 0.144 0.000 1.980 105 K HA 0.046 4.365 4.320 -0.000 0.000 0.208 105 K C 0.778 177.426 176.600 0.080 0.000 1.043 105 K CA 1.564 57.901 56.287 0.083 0.000 0.938 105 K CB -1.184 31.351 32.500 0.058 0.000 0.724 105 K HN 0.824 nan 8.250 nan 0.000 0.438 106 N N -0.377 118.371 118.700 0.080 0.000 2.361 106 N HA 0.668 5.407 4.740 -0.000 0.000 0.302 106 N C -0.581 174.955 175.510 0.044 0.000 1.074 106 N CA -0.230 52.851 53.050 0.052 0.000 0.850 106 N CB 1.841 40.350 38.487 0.037 0.000 1.228 106 N HN 1.164 nan 8.380 nan 0.000 0.491 107 A N 1.229 124.064 122.820 0.026 0.000 2.437 107 A HA 0.708 5.028 4.320 -0.000 0.000 0.293 107 A C -0.762 176.822 177.584 0.000 0.000 1.038 107 A CA -0.579 51.460 52.037 0.003 0.000 0.708 107 A CB 0.903 19.904 19.000 0.002 0.000 1.251 107 A HN 0.658 nan 8.150 nan 0.000 0.409 108 K N 1.510 121.904 120.400 -0.009 0.000 2.395 108 K HA 0.678 4.998 4.320 -0.000 0.000 0.247 108 K C -1.229 175.363 176.600 -0.014 0.000 0.973 108 K CA -0.722 55.560 56.287 -0.008 0.000 0.828 108 K CB 2.388 34.883 32.500 -0.008 0.000 1.272 108 K HN 0.621 nan 8.250 nan 0.000 0.439 109 L N 2.161 123.378 121.223 -0.010 0.000 2.264 109 L HA 0.190 4.529 4.340 -0.000 0.000 0.289 109 L C 1.501 178.364 176.870 -0.012 0.000 1.044 109 L CA -0.263 54.570 54.840 -0.011 0.000 0.807 109 L CB 1.236 43.293 42.059 -0.003 0.000 1.192 109 L HN 0.917 nan 8.230 nan 0.000 0.425 110 T N -0.422 114.122 114.554 -0.017 0.000 2.976 110 T HA 0.114 4.463 4.350 -0.000 0.000 0.257 110 T C 0.739 175.432 174.700 -0.011 0.000 1.051 110 T CA 0.377 62.468 62.100 -0.015 0.000 1.141 110 T CB 0.238 69.094 68.868 -0.019 0.000 0.881 110 T HN 0.392 nan 8.240 nan 0.000 0.461 111 K N 0.974 121.366 120.400 -0.013 0.000 2.435 111 K HA 0.669 4.989 4.320 -0.000 0.000 0.251 111 K C -1.258 175.339 176.600 -0.006 0.000 0.954 111 K CA -0.725 55.557 56.287 -0.008 0.000 0.820 111 K CB 2.431 34.923 32.500 -0.014 0.000 1.292 111 K HN 0.386 nan 8.250 nan 0.000 0.436 112 S N -0.461 115.241 115.700 0.003 0.000 2.567 112 S HA 0.590 5.059 4.470 -0.000 0.000 0.270 112 S C -1.328 173.274 174.600 0.003 0.000 1.152 112 S CA -0.836 57.365 58.200 0.003 0.000 0.835 112 S CB 1.890 65.100 63.200 0.016 0.000 1.115 112 S HN 0.310 nan 8.310 nan 0.000 0.459 113 S N 0.867 116.559 115.700 -0.014 0.000 2.720 113 S HA 0.524 4.994 4.470 -0.000 0.000 0.278 113 S C -1.126 173.446 174.600 -0.047 0.000 1.172 113 S CA -0.615 57.569 58.200 -0.028 0.000 1.019 113 S CB 0.329 63.508 63.200 -0.035 0.000 1.049 113 S HN 0.658 nan 8.310 nan 0.000 0.483 114 I N 4.038 124.581 120.570 -0.045 0.000 2.336 114 I HA 0.494 4.663 4.170 -0.000 0.000 0.292 114 I C 0.175 176.258 176.117 -0.057 0.000 0.991 114 I CA -0.447 60.817 61.300 -0.060 0.000 1.227 114 I CB 1.157 39.153 38.000 -0.006 0.000 1.366 114 I HN 0.320 nan 8.210 nan 0.000 0.466 115 R N 6.916 127.376 120.500 -0.067 0.000 2.409 115 R HA 0.641 4.981 4.340 -0.000 0.000 0.313 115 R C -1.192 175.102 176.300 -0.010 0.000 0.953 115 R CA -0.790 55.283 56.100 -0.045 0.000 0.849 115 R CB 1.828 32.097 30.300 -0.052 0.000 1.171 115 R HN 0.402 nan 8.270 nan 0.000 0.458 116 I N 2.115 122.680 120.570 -0.009 0.000 2.474 116 I HA 0.213 4.382 4.170 -0.000 0.000 0.294 116 I C -0.089 176.003 176.117 -0.041 0.000 1.005 116 I CA -1.172 60.140 61.300 0.019 0.000 1.113 116 I CB 1.699 39.687 38.000 -0.020 0.000 1.289 116 I HN 0.510 nan 8.210 nan 0.000 0.436 117 N N 4.819 123.514 118.700 -0.008 0.000 2.420 117 N HA 0.152 4.891 4.740 -0.000 0.000 0.262 117 N C 0.529 176.027 175.510 -0.020 0.000 1.144 117 N CA -0.002 53.041 53.050 -0.012 0.000 0.952 117 N CB 1.266 39.759 38.487 0.011 0.000 1.081 117 N HN 0.503 nan 8.380 nan 0.000 0.480 118 V N 1.007 120.894 119.914 -0.044 0.000 3.605 118 V HA 0.495 4.614 4.120 -0.000 0.000 0.284 118 V C 0.969 177.175 176.094 0.186 0.000 1.386 118 V CA 0.361 62.667 62.300 0.011 0.000 1.053 118 V CB -0.633 31.043 31.823 -0.246 0.000 0.857 118 V HN 0.737 nan 8.190 nan 0.000 0.436 119 G N 1.413 110.273 108.800 0.101 0.000 2.860 119 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.553 119 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.553 119 G C -0.099 174.849 174.900 0.080 0.000 1.439 119 G CA 0.176 45.331 45.100 0.091 0.000 0.879 119 G HN 0.447 nan 8.290 nan 0.000 0.545 120 K N 0.038 120.475 120.400 0.062 0.000 2.469 120 K HA 0.140 4.460 4.320 -0.000 0.000 0.201 120 K C 1.406 178.041 176.600 0.059 0.000 1.028 120 K CA 0.301 56.617 56.287 0.050 0.000 1.170 120 K CB 0.131 32.651 32.500 0.033 0.000 0.874 120 K HN 0.346 nan 8.250 nan 0.000 0.507 121 N N 0.656 119.406 118.700 0.083 0.000 2.251 121 N HA 0.032 4.772 4.740 -0.000 0.000 0.217 121 N C -1.339 174.239 175.510 0.114 0.000 1.124 121 N CA -0.101 53.001 53.050 0.086 0.000 0.843 121 N CB 0.632 39.167 38.487 0.081 0.000 1.024 121 N HN -0.114 nan 8.380 nan 0.000 0.501 122 V N 0.212 120.194 119.914 0.114 0.000 3.012 122 V HA 0.512 4.632 4.120 -0.000 0.000 0.307 122 V C -1.574 174.561 176.094 0.069 0.000 1.166 122 V CA -0.819 61.558 62.300 0.128 0.000 0.974 122 V CB 2.298 34.246 31.823 0.209 0.000 1.040 122 V HN 0.308 nan 8.190 nan 0.000 0.428 123 K N 4.802 125.229 120.400 0.045 0.000 2.482 123 K HA 0.705 5.025 4.320 -0.000 0.000 0.257 123 K C -1.624 174.960 176.600 -0.026 0.000 0.969 123 K CA -0.967 55.326 56.287 0.009 0.000 0.842 123 K CB 2.201 34.708 32.500 0.012 0.000 1.359 123 K HN 0.538 nan 8.250 nan 0.000 0.441 124 L N 1.414 122.615 121.223 -0.037 0.000 2.426 124 L HA 0.148 4.488 4.340 -0.000 0.000 0.271 124 L C -0.083 176.755 176.870 -0.054 0.000 1.169 124 L CA -0.301 54.504 54.840 -0.059 0.000 0.836 124 L CB 0.338 42.368 42.059 -0.049 0.000 1.112 124 L HN 0.666 nan 8.230 nan 0.000 0.465 125 D N 2.646 123.001 120.400 -0.075 0.000 2.467 125 D HA 0.498 5.137 4.640 -0.000 0.000 0.220 125 D C 0.244 176.520 176.300 -0.041 0.000 1.103 125 D CA 0.637 54.603 54.000 -0.056 0.000 0.886 125 D CB 0.714 41.471 40.800 -0.072 0.000 1.025 125 D HN 0.714 nan 8.370 nan 0.000 0.514 126 G N 3.201 111.985 108.800 -0.027 0.000 2.699 126 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.686 126 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.686 126 G C -0.405 174.484 174.900 -0.018 0.000 1.301 126 G CA -1.038 44.050 45.100 -0.019 0.000 0.816 126 G HN 0.466 nan 8.290 nan 0.000 0.595 127 N N 1.290 119.983 118.700 -0.012 0.000 2.415 127 N HA 0.281 5.021 4.740 -0.000 0.000 0.250 127 N C 0.206 175.711 175.510 -0.007 0.000 1.127 127 N CA 0.326 53.370 53.050 -0.009 0.000 0.945 127 N CB 1.000 39.484 38.487 -0.006 0.000 1.196 127 N HN 0.577 nan 8.380 nan 0.000 0.499 128 Q N 2.482 122.277 119.800 -0.009 0.000 2.271 128 Q HA 0.384 4.724 4.340 -0.000 0.000 0.258 128 Q C -2.081 173.927 176.000 0.014 0.000 0.936 128 Q CA -1.751 54.051 55.803 -0.001 0.000 0.909 128 Q CB 1.553 30.284 28.738 -0.013 0.000 1.253 128 Q HN 0.355 nan 8.270 nan 0.000 0.440 129 P HA -0.025 nan 4.420 nan 0.000 0.265 129 P C 0.449 177.804 177.300 0.092 0.000 1.193 129 P CA 0.629 63.757 63.100 0.046 0.000 0.765 129 P CB 0.567 32.289 31.700 0.036 0.000 0.823 130 G N 2.040 110.883 108.800 0.071 0.000 2.180 130 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.263 130 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.263 130 G C -0.117 174.796 174.900 0.023 0.000 0.989 130 G CA 0.242 45.394 45.100 0.085 0.000 0.692 130 G HN 0.508 nan 8.290 nan 0.000 0.526 131 L N 0.452 121.671 121.223 -0.007 0.000 2.334 131 L HA 0.804 5.144 4.340 -0.000 0.000 0.276 131 L C 0.356 177.205 176.870 -0.036 0.000 1.014 131 L CA -0.395 54.415 54.840 -0.050 0.000 0.815 131 L CB 2.254 44.269 42.059 -0.073 0.000 1.268 131 L HN 0.362 nan 8.230 nan 0.000 0.428 132 S N 2.225 117.898 115.700 -0.044 0.000 2.579 132 S HA 0.786 5.256 4.470 -0.000 0.000 0.272 132 S C -1.341 173.235 174.600 -0.040 0.000 1.141 132 S CA -0.787 57.393 58.200 -0.034 0.000 0.843 132 S CB 2.482 65.667 63.200 -0.025 0.000 1.122 132 S HN 0.433 nan 8.310 nan 0.000 0.468 133 L N 1.799 123.003 121.223 -0.032 0.000 2.471 133 L HA 0.725 5.065 4.340 -0.000 0.000 0.263 133 L C -0.811 176.047 176.870 -0.020 0.000 0.985 133 L CA -0.021 54.800 54.840 -0.031 0.000 0.868 133 L CB 1.313 43.354 42.059 -0.031 0.000 1.203 133 L HN 0.926 nan 8.230 nan 0.000 0.429 134 S N 4.105 119.792 115.700 -0.020 0.000 2.552 134 S HA 0.480 4.949 4.470 -0.000 0.000 0.314 134 S C 0.178 174.772 174.600 -0.011 0.000 1.099 134 S CA -0.356 57.836 58.200 -0.013 0.000 1.070 134 S CB 0.473 63.665 63.200 -0.013 0.000 0.998 134 S HN 0.768 nan 8.310 nan 0.000 0.474 135 N N 3.496 122.194 118.700 -0.004 0.000 2.714 135 N HA -0.186 4.554 4.740 -0.000 0.000 0.253 135 N C 0.776 176.285 175.510 -0.000 0.000 1.024 135 N CA 1.950 55.000 53.050 -0.001 0.000 0.726 135 N CB -1.327 37.159 38.487 -0.003 0.000 0.908 135 N HN 1.515 nan 8.380 nan 0.000 0.542 136 G N -2.333 106.469 108.800 0.002 0.000 2.184 136 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.264 136 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.264 136 G C 0.061 174.953 174.900 -0.013 0.000 0.975 136 G CA 0.439 45.543 45.100 0.006 0.000 0.642 136 G HN 0.951 nan 8.290 nan 0.000 0.536 137 V N 1.212 121.113 119.914 -0.022 0.000 2.394 137 V HA 0.683 4.803 4.120 -0.000 0.000 0.282 137 V C 0.238 176.301 176.094 -0.052 0.000 1.031 137 V CA -0.810 61.468 62.300 -0.037 0.000 0.881 137 V CB 1.692 33.497 31.823 -0.029 0.000 0.982 137 V HN 0.421 nan 8.190 nan 0.000 0.451 138 L N 4.644 125.820 121.223 -0.079 0.000 2.257 138 L HA 0.598 4.938 4.340 -0.000 0.000 0.290 138 L C 0.194 177.019 176.870 -0.074 0.000 1.044 138 L CA 0.674 55.459 54.840 -0.091 0.000 0.810 138 L CB 1.470 43.442 42.059 -0.145 0.000 1.193 138 L HN 0.669 nan 8.230 nan 0.000 0.425 139 S N 5.805 121.465 115.700 -0.066 0.000 2.437 139 S HA 0.624 5.094 4.470 -0.000 0.000 0.305 139 S C -0.348 174.203 174.600 -0.081 0.000 1.109 139 S CA -0.616 57.547 58.200 -0.062 0.000 1.099 139 S CB 0.334 63.506 63.200 -0.046 0.000 1.004 139 S HN 0.541 nan 8.310 nan 0.000 0.475 140 I N 5.587 126.099 120.570 -0.096 0.000 2.307 140 I HA 0.324 4.494 4.170 -0.000 0.000 0.287 140 I C -0.195 175.865 176.117 -0.095 0.000 1.054 140 I CA -0.648 60.554 61.300 -0.163 0.000 1.218 140 I CB 0.665 38.532 38.000 -0.221 0.000 1.398 140 I HN 0.481 nan 8.210 nan 0.000 0.475 141 N N 5.452 124.127 118.700 -0.043 0.000 2.443 141 N HA 0.183 4.923 4.740 -0.000 0.000 0.295 141 N C -0.214 175.377 175.510 0.135 0.000 1.076 141 N CA -0.405 52.663 53.050 0.031 0.000 0.919 141 N CB 1.244 39.742 38.487 0.018 0.000 1.176 141 N HN 0.441 nan 8.380 nan 0.000 0.487 142 D N 0.161 120.618 120.400 0.095 0.000 2.751 142 D HA -0.193 4.447 4.640 -0.000 0.000 0.233 142 D C 0.296 176.657 176.300 0.102 0.000 1.149 142 D CA 1.049 55.097 54.000 0.079 0.000 0.682 142 D CB -1.343 39.483 40.800 0.044 0.000 1.068 142 D HN 0.632 nan 8.370 nan 0.000 0.429 143 H N -1.086 117.976 119.070 -0.014 0.000 2.750 143 H HA 0.370 4.926 4.556 -0.000 0.000 0.263 143 H C 0.905 176.227 175.328 -0.009 0.000 0.964 143 H CA 0.116 56.155 56.048 -0.015 0.000 1.205 143 H CB 0.494 30.244 29.762 -0.020 0.000 1.454 143 H HN 0.174 nan 8.280 nan 0.000 0.503 144 L N 1.197 122.480 121.223 0.100 0.000 2.350 144 L HA 0.454 4.793 4.340 -0.000 0.000 0.275 144 L C 0.441 177.326 176.870 0.026 0.000 1.099 144 L CA -0.438 54.439 54.840 0.062 0.000 0.808 144 L CB 0.828 42.925 42.059 0.063 0.000 1.149 144 L HN 0.103 nan 8.230 nan 0.000 0.442 145 K N 2.382 122.793 120.400 0.019 0.000 2.376 145 K HA 0.851 5.171 4.320 -0.000 0.000 0.257 145 K C -0.739 175.869 176.600 0.013 0.000 0.939 145 K CA -0.250 56.041 56.287 0.006 0.000 0.809 145 K CB 1.796 34.293 32.500 -0.005 0.000 1.121 145 K HN 0.730 nan 8.250 nan 0.000 0.425 146 A N 1.600 124.427 122.820 0.011 0.000 2.318 146 A HA 0.820 5.139 4.320 -0.000 0.000 0.324 146 A C -0.008 177.585 177.584 0.014 0.000 1.170 146 A CA -0.070 51.976 52.037 0.016 0.000 0.810 146 A CB 0.650 19.660 19.000 0.015 0.000 1.198 146 A HN 1.579 nan 8.150 nan 0.000 0.484 147 S N 1.466 117.177 115.700 0.019 0.000 2.541 147 S HA 0.704 5.174 4.470 -0.000 0.000 0.280 147 S C -1.148 173.469 174.600 0.028 0.000 1.112 147 S CA -0.656 57.556 58.200 0.020 0.000 0.925 147 S CB 1.416 64.625 63.200 0.016 0.000 1.067 147 S HN 0.989 nan 8.310 nan 0.000 0.479 148 L N 1.561 122.803 121.223 0.033 0.000 2.296 148 L HA 0.654 4.994 4.340 -0.000 0.000 0.286 148 L C -0.604 176.289 176.870 0.038 0.000 1.023 148 L CA -0.182 54.684 54.840 0.043 0.000 0.812 148 L CB 1.246 43.341 42.059 0.060 0.000 1.223 148 L HN 0.884 nan 8.230 nan 0.000 0.421 149 E N 3.881 124.102 120.200 0.035 0.000 3.659 149 E HA 0.567 4.916 4.350 -0.000 0.000 0.217 149 E C 0.654 177.268 176.600 0.024 0.000 1.141 149 E CA 0.501 56.916 56.400 0.026 0.000 1.340 149 E CB 0.545 30.258 29.700 0.021 0.000 1.295 149 E HN 0.899 nan 8.360 nan 0.000 0.434 150 G N 1.745 110.562 108.800 0.028 0.000 4.257 150 G HA2 -0.426 3.533 3.960 -0.000 0.000 0.270 150 G HA3 -0.426 3.533 3.960 -0.000 0.000 0.270 150 G C 1.056 175.969 174.900 0.021 0.000 1.717 150 G CA 0.347 45.458 45.100 0.018 0.000 1.170 150 G HN 0.414 nan 8.290 nan 0.000 0.642 151 N N 1.018 119.728 118.700 0.017 0.000 2.482 151 N HA 0.240 4.980 4.740 -0.000 0.000 0.179 151 N C 0.878 176.406 175.510 0.030 0.000 1.039 151 N CA 1.301 54.362 53.050 0.018 0.000 0.884 151 N CB 0.315 38.807 38.487 0.007 0.000 1.113 151 N HN 0.521 nan 8.380 nan 0.000 0.440 152 S N 0.898 116.616 115.700 0.030 0.000 2.523 152 S HA 0.298 4.767 4.470 -0.000 0.000 0.275 152 S C -0.539 174.086 174.600 0.043 0.000 1.281 152 S CA -0.537 57.684 58.200 0.035 0.000 1.050 152 S CB 1.230 64.447 63.200 0.028 0.000 0.937 152 S HN 0.279 nan 8.310 nan 0.000 0.492 153 L N 3.438 124.691 121.223 0.051 0.000 2.296 153 L HA 0.696 5.036 4.340 -0.000 0.000 0.286 153 L C 0.200 177.098 176.870 0.046 0.000 1.023 153 L CA -0.257 54.614 54.840 0.053 0.000 0.812 153 L CB 0.741 42.841 42.059 0.068 0.000 1.223 153 L HN 0.696 nan 8.230 nan 0.000 0.421 154 R N 5.470 125.993 120.500 0.038 0.000 2.295 154 R HA 0.732 5.072 4.340 -0.000 0.000 0.324 154 R C -1.015 175.305 176.300 0.033 0.000 0.968 154 R CA -0.241 55.879 56.100 0.033 0.000 0.837 154 R CB 0.456 30.771 30.300 0.024 0.000 1.133 154 R HN 0.736 nan 8.270 nan 0.000 0.450 155 I N 2.314 122.908 120.570 0.039 0.000 2.354 155 I HA 0.463 4.633 4.170 -0.000 0.000 0.292 155 I C 0.372 176.510 176.117 0.036 0.000 0.989 155 I CA -0.268 61.057 61.300 0.042 0.000 1.188 155 I CB 2.160 40.194 38.000 0.057 0.000 1.342 155 I HN 0.893 nan 8.210 nan 0.000 0.457 156 S N 4.865 120.582 115.700 0.027 0.000 2.667 156 S HA 0.956 5.426 4.470 -0.000 0.000 0.292 156 S C -0.868 173.744 174.600 0.020 0.000 1.126 156 S CA -0.840 57.370 58.200 0.016 0.000 0.881 156 S CB 2.288 65.490 63.200 0.004 0.000 1.132 156 S HN 0.722 nan 8.310 nan 0.000 0.492 157 A N 0.592 123.419 122.820 0.011 0.000 2.408 157 A HA 0.862 5.182 4.320 -0.000 0.000 0.295 157 A C 0.026 177.611 177.584 0.001 0.000 1.040 157 A CA -0.489 51.559 52.037 0.020 0.000 0.707 157 A CB 0.961 19.988 19.000 0.046 0.000 1.235 157 A HN 1.807 nan 8.150 nan 0.000 0.418 158 A N 3.270 126.088 122.820 -0.003 0.000 2.531 158 A HA 0.543 4.863 4.320 -0.000 0.000 0.236 158 A C -2.211 175.374 177.584 0.001 0.000 1.062 158 A CA -0.618 51.411 52.037 -0.012 0.000 0.760 158 A CB -0.775 18.207 19.000 -0.031 0.000 0.995 158 A HN 0.572 nan 8.150 nan 0.000 0.501 159 P HA 0.313 nan 4.420 nan 0.000 0.263 159 P C -0.188 177.103 177.300 -0.016 0.000 1.195 159 P CA 0.509 63.587 63.100 -0.037 0.000 0.762 159 P CB 0.231 31.904 31.700 -0.044 0.000 0.799 160 I N 2.419 122.965 120.570 -0.040 0.000 2.336 160 I HA 0.398 4.568 4.170 -0.000 0.000 0.292 160 I C 0.574 176.644 176.117 -0.078 0.000 0.991 160 I CA -0.548 60.744 61.300 -0.013 0.000 1.227 160 I CB 0.608 38.575 38.000 -0.054 0.000 1.366 160 I HN 0.274 nan 8.210 nan 0.000 0.466 161 T N 5.783 120.319 114.554 -0.031 0.000 2.733 161 T HA 0.599 4.948 4.350 -0.000 0.000 0.294 161 T C -0.038 174.631 174.700 -0.052 0.000 0.956 161 T CA -0.331 61.744 62.100 -0.042 0.000 0.987 161 T CB 0.786 69.645 68.868 -0.016 0.000 0.920 161 T HN 0.660 nan 8.240 nan 0.000 0.470 162 V N 4.262 124.133 119.914 -0.072 0.000 2.398 162 V HA 0.471 4.591 4.120 -0.000 0.000 0.286 162 V C 0.404 176.442 176.094 -0.094 0.000 1.026 162 V CA -0.989 61.262 62.300 -0.081 0.000 0.868 162 V CB 1.420 33.192 31.823 -0.085 0.000 0.982 162 V HN 0.724 nan 8.190 nan 0.000 0.443 163 R N 4.518 124.950 120.500 -0.114 0.000 2.265 163 R HA 0.764 5.104 4.340 -0.000 0.000 0.319 163 R C -1.362 174.784 176.300 -0.257 0.000 1.006 163 R CA -0.359 55.634 56.100 -0.177 0.000 0.880 163 R CB 0.748 30.981 30.300 -0.112 0.000 1.077 163 R HN 0.714 nan 8.270 nan 0.000 0.454 164 L N 3.355 124.270 121.223 -0.513 0.000 2.350 164 L HA 0.485 4.825 4.340 -0.000 0.000 0.260 164 L C -0.848 175.638 176.870 -0.641 0.000 1.015 164 L CA -1.048 53.478 54.840 -0.523 0.000 0.821 164 L CB 2.373 44.135 42.059 -0.495 0.000 1.370 164 L HN 0.655 nan 8.230 nan 0.000 0.416 165 Q N 0.949 120.623 119.800 -0.210 0.000 2.394 165 Q HA 0.858 5.198 4.340 -0.000 0.000 0.273 165 Q C -1.222 174.899 176.000 0.202 0.000 1.089 165 Q CA -0.992 54.851 55.803 0.067 0.000 0.812 165 Q CB 2.526 31.308 28.738 0.072 0.000 1.353 165 Q HN 0.635 nan 8.270 nan 0.000 0.438 166 A N 2.503 125.528 122.820 0.342 0.000 2.316 166 A HA 0.454 4.774 4.320 -0.000 0.000 0.284 166 A C 0.487 178.148 177.584 0.129 0.000 1.115 166 A CA -0.743 51.430 52.037 0.227 0.000 0.812 166 A CB 0.278 19.398 19.000 0.201 0.000 1.064 166 A HN 0.903 nan 8.150 nan 0.000 0.489 167 L N 0.856 122.136 121.223 0.095 0.000 2.130 167 L HA 0.138 4.478 4.340 -0.000 0.000 0.200 167 L C 1.173 178.073 176.870 0.049 0.000 1.075 167 L CA 1.303 56.181 54.840 0.064 0.000 0.768 167 L CB -0.680 41.411 42.059 0.053 0.000 0.933 167 L HN 0.864 nan 8.230 nan 0.000 0.451 168 T N -2.281 112.299 114.554 0.044 0.000 2.906 168 T HA 0.336 4.686 4.350 -0.000 0.000 0.295 168 T C -0.502 174.212 174.700 0.023 0.000 1.061 168 T CA -0.945 61.172 62.100 0.029 0.000 1.000 168 T CB 2.163 71.045 68.868 0.023 0.000 1.103 168 T HN 0.279 nan 8.240 nan 0.000 0.486 169 E N 0.711 120.918 120.200 0.012 0.000 2.459 169 E HA 0.424 4.774 4.350 -0.000 0.000 0.264 169 E C 0.727 177.325 176.600 -0.002 0.000 1.055 169 E CA -0.110 56.290 56.400 0.000 0.000 0.957 169 E CB -0.233 29.464 29.700 -0.005 0.000 0.952 169 E HN 1.264 nan 8.360 nan 0.000 0.448 170 G N 1.445 110.237 108.800 -0.013 0.000 2.286 170 G HA2 0.062 4.022 3.960 -0.000 0.000 0.118 170 G HA3 0.062 4.022 3.960 -0.000 0.000 0.118 170 G C -0.920 173.962 174.900 -0.031 0.000 1.267 170 G CA -0.161 44.929 45.100 -0.016 0.000 1.171 170 G HN 0.754 nan 8.290 nan 0.000 0.465 171 T N 0.851 115.389 114.554 -0.027 0.000 2.912 171 T HA 0.680 5.030 4.350 -0.000 0.000 0.299 171 T C -0.650 174.024 174.700 -0.044 0.000 1.052 171 T CA -0.410 61.661 62.100 -0.048 0.000 0.996 171 T CB 1.812 70.653 68.868 -0.045 0.000 1.070 171 T HN 0.572 nan 8.240 nan 0.000 0.465 172 L N 2.597 123.763 121.223 -0.095 0.000 2.313 172 L HA 0.639 4.979 4.340 -0.000 0.000 0.283 172 L C -0.265 176.478 176.870 -0.213 0.000 1.013 172 L CA -0.704 54.065 54.840 -0.118 0.000 0.816 172 L CB 1.872 43.818 42.059 -0.189 0.000 1.236 172 L HN 0.668 nan 8.230 nan 0.000 0.419 173 T N 2.691 117.201 114.554 -0.074 0.000 2.840 173 T HA 0.462 4.811 4.350 -0.000 0.000 0.287 173 T C -0.634 174.194 174.700 0.213 0.000 0.991 173 T CA -0.348 61.727 62.100 -0.041 0.000 0.964 173 T CB 0.909 69.768 68.868 -0.015 0.000 0.954 173 T HN 0.079 nan 8.240 nan 0.000 0.438 174 F N 4.194 124.113 119.950 -0.052 0.000 2.329 174 F HA 0.417 4.943 4.527 -0.001 0.000 0.362 174 F C 0.261 175.978 175.800 -0.138 0.000 1.113 174 F CA -2.205 55.756 58.000 -0.064 0.000 1.212 174 F CB -0.231 38.707 39.000 -0.104 0.000 1.509 174 F HN 0.349 nan 8.300 nan 0.000 0.546 175 I N 4.824 125.423 120.570 0.049 0.000 2.662 175 I HA 0.233 4.403 4.170 -0.000 0.000 0.291 175 I C -1.957 174.120 176.117 -0.067 0.000 1.046 175 I CA -2.828 58.405 61.300 -0.112 0.000 1.361 175 I CB 0.502 38.467 38.000 -0.059 0.000 1.429 175 I HN 0.158 nan 8.210 nan 0.000 0.558 176 P HA 0.125 nan 4.420 nan 0.000 0.274 176 P C -0.277 177.038 177.300 0.025 0.000 1.237 176 P CA -0.377 62.780 63.100 0.096 0.000 0.793 176 P CB 0.969 32.720 31.700 0.086 0.000 0.977 177 E N 1.049 121.267 120.200 0.031 0.000 2.313 177 E HA 0.045 4.394 4.350 -0.000 0.000 0.272 177 E C 1.058 177.644 176.600 -0.024 0.000 1.038 177 E CA -0.437 55.958 56.400 -0.008 0.000 0.863 177 E CB 1.162 30.851 29.700 -0.018 0.000 1.060 177 E HN 0.318 nan 8.360 nan 0.000 0.402 178 K N 1.123 121.507 120.400 -0.027 0.000 2.089 178 K HA -0.112 4.208 4.320 -0.000 0.000 0.210 178 K C 0.352 176.927 176.600 -0.041 0.000 1.048 178 K CA 1.473 57.742 56.287 -0.030 0.000 0.926 178 K CB -0.099 32.385 32.500 -0.026 0.000 0.714 178 K HN 0.257 nan 8.250 nan 0.000 0.448 179 T N 1.358 115.883 114.554 -0.047 0.000 3.151 179 T HA 0.187 4.537 4.350 -0.000 0.000 0.332 179 T C 0.711 175.359 174.700 -0.086 0.000 1.245 179 T CA -0.231 61.831 62.100 -0.063 0.000 1.019 179 T CB 0.603 69.438 68.868 -0.055 0.000 1.109 179 T HN 0.212 nan 8.240 nan 0.000 0.621 180 I N 3.294 123.790 120.570 -0.123 0.000 2.676 180 I HA 0.311 4.481 4.170 -0.000 0.000 0.259 180 I C 0.171 176.137 176.117 -0.252 0.000 1.194 180 I CA 1.138 62.322 61.300 -0.193 0.000 1.473 180 I CB 0.264 38.094 38.000 -0.284 0.000 1.096 180 I HN 0.463 nan 8.210 nan 0.000 0.443 181 L N -0.002 121.098 121.223 -0.206 0.000 2.526 181 L HA 0.453 4.792 4.340 -0.000 0.000 0.263 181 L C -1.136 175.668 176.870 -0.110 0.000 0.943 181 L CA -0.227 54.505 54.840 -0.180 0.000 0.859 181 L CB 1.772 43.683 42.059 -0.247 0.000 1.313 181 L HN 0.156 nan 8.230 nan 0.000 0.406 182 T N 0.764 115.271 114.554 -0.079 0.000 2.893 182 T HA 0.652 5.002 4.350 -0.000 0.000 0.293 182 T C -1.081 173.591 174.700 -0.046 0.000 1.027 182 T CA -0.764 61.299 62.100 -0.062 0.000 0.988 182 T CB 1.806 70.641 68.868 -0.055 0.000 1.043 182 T HN 0.718 nan 8.240 nan 0.000 0.461 183 N N 0.704 119.377 118.700 -0.045 0.000 2.774 183 N HA 0.525 5.265 4.740 -0.000 0.000 0.264 183 N C -1.722 173.762 175.510 -0.043 0.000 1.415 183 N CA -0.738 52.292 53.050 -0.034 0.000 0.815 183 N CB 2.139 40.614 38.487 -0.021 0.000 1.514 183 N HN 0.624 nan 8.380 nan 0.000 0.523 184 T N 0.040 114.571 114.554 -0.038 0.000 2.937 184 T HA 0.709 5.059 4.350 -0.000 0.000 0.297 184 T C -1.055 173.618 174.700 -0.044 0.000 0.991 184 T CA -0.471 61.600 62.100 -0.048 0.000 0.990 184 T CB 1.161 70.002 68.868 -0.044 0.000 0.991 184 T HN 0.799 nan 8.240 nan 0.000 0.440 185 A N 2.166 124.952 122.820 -0.057 0.000 2.342 185 A HA 0.821 5.141 4.320 -0.000 0.000 0.323 185 A C 0.037 177.581 177.584 -0.066 0.000 1.125 185 A CA -0.751 51.254 52.037 -0.053 0.000 0.785 185 A CB 1.393 20.361 19.000 -0.052 0.000 1.221 185 A HN 0.644 nan 8.150 nan 0.000 0.463 186 S N 1.475 117.144 115.700 -0.052 0.000 2.422 186 S HA 0.562 5.031 4.470 -0.000 0.000 0.308 186 S C -0.972 173.598 174.600 -0.049 0.000 1.097 186 S CA -0.365 57.804 58.200 -0.051 0.000 1.099 186 S CB 0.152 63.331 63.200 -0.035 0.000 0.976 186 S HN 0.828 nan 8.310 nan 0.000 0.471 187 V N 5.245 125.122 119.914 -0.063 0.000 2.398 187 V HA 0.361 4.481 4.120 -0.000 0.000 0.282 187 V C -0.573 175.520 176.094 -0.002 0.000 1.014 187 V CA -0.719 61.529 62.300 -0.086 0.000 0.838 187 V CB 1.032 32.695 31.823 -0.267 0.000 1.018 187 V HN 0.980 nan 8.190 nan 0.000 0.432 188 D N 4.065 124.497 120.400 0.054 0.000 2.800 188 D HA -0.158 4.482 4.640 -0.000 0.000 0.232 188 D C 1.362 177.696 176.300 0.056 0.000 1.137 188 D CA 2.263 56.334 54.000 0.117 0.000 0.718 188 D CB -1.118 39.844 40.800 0.271 0.000 1.084 188 D HN 1.369 nan 8.370 nan 0.000 0.432 189 G N -2.215 106.576 108.800 -0.015 0.000 2.225 189 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.254 189 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.254 189 G C 0.214 174.991 174.900 -0.205 0.000 0.988 189 G CA 0.294 45.333 45.100 -0.102 0.000 0.625 189 G HN 0.455 nan 8.290 nan 0.000 0.527 190 Y N 1.048 121.278 120.300 -0.118 0.000 2.335 190 Y HA 0.621 5.170 4.550 -0.001 0.000 0.323 190 Y C 0.953 176.685 175.900 -0.280 0.000 1.224 190 Y CA 0.204 58.153 58.100 -0.253 0.000 1.241 190 Y CB 1.690 39.975 38.460 -0.291 0.000 1.235 190 Y HN 0.016 nan 8.280 nan 0.000 0.492 191 T N 2.341 116.764 114.554 -0.219 0.000 2.792 191 T HA 0.724 5.074 4.350 -0.000 0.000 0.280 191 T C -0.910 173.663 174.700 -0.212 0.000 0.990 191 T CA -0.703 61.270 62.100 -0.210 0.000 0.960 191 T CB 0.724 69.445 68.868 -0.246 0.000 0.939 191 T HN 0.691 nan 8.240 nan 0.000 0.439 192 A N 3.951 126.682 122.820 -0.149 0.000 2.343 192 A HA 0.721 5.041 4.320 -0.000 0.000 0.316 192 A C -0.431 177.085 177.584 -0.112 0.000 1.104 192 A CA -0.943 51.015 52.037 -0.132 0.000 0.768 192 A CB 0.739 19.672 19.000 -0.112 0.000 1.213 192 A HN 0.717 nan 8.150 nan 0.000 0.456 193 N N 2.000 120.632 118.700 -0.113 0.000 2.444 193 N HA 0.348 5.088 4.740 -0.000 0.000 0.262 193 N C -0.862 174.579 175.510 -0.115 0.000 0.974 193 N CA 0.020 53.011 53.050 -0.097 0.000 0.933 193 N CB 1.684 40.122 38.487 -0.082 0.000 1.137 193 N HN 0.560 nan 8.380 nan 0.000 0.498 194 T N 1.166 115.657 114.554 -0.105 0.000 2.799 194 T HA 0.381 4.731 4.350 -0.000 0.000 0.286 194 T C 0.267 174.910 174.700 -0.096 0.000 0.973 194 T CA -0.104 61.924 62.100 -0.120 0.000 1.035 194 T CB 1.144 69.951 68.868 -0.102 0.000 0.932 194 T HN 0.193 nan 8.240 nan 0.000 0.469 195 T N 2.537 117.030 114.554 -0.102 0.000 2.841 195 T HA 0.455 4.805 4.350 -0.000 0.000 0.285 195 T C -0.579 174.072 174.700 -0.082 0.000 0.991 195 T CA -0.439 61.611 62.100 -0.084 0.000 0.966 195 T CB 0.422 69.245 68.868 -0.074 0.000 0.962 195 T HN 0.705 nan 8.240 nan 0.000 0.438 196 c N 3.523 122.074 118.600 -0.082 0.000 2.345 196 c HA 0.823 5.393 4.570 -0.000 0.000 0.323 196 c C 0.755 174.797 174.090 -0.081 0.000 1.276 196 c CA -0.954 55.328 56.329 -0.079 0.000 1.543 196 c CB 0.366 42.822 42.510 -0.090 0.000 2.211 196 c HN 0.993 nan 8.230 nan 0.000 0.493 197 T N 0.190 114.708 114.554 -0.059 0.000 2.885 197 T HA 0.762 5.112 4.350 -0.000 0.000 0.285 197 T C -0.565 174.114 174.700 -0.036 0.000 1.019 197 T CA -0.342 61.728 62.100 -0.050 0.000 1.010 197 T CB 1.879 70.724 68.868 -0.038 0.000 1.022 197 T HN 0.651 nan 8.240 nan 0.000 0.466 198 T N 0.955 115.490 114.554 -0.032 0.000 2.906 198 T HA 0.483 4.832 4.350 -0.000 0.000 0.295 198 T C -0.159 174.534 174.700 -0.012 0.000 1.075 198 T CA -0.801 61.293 62.100 -0.010 0.000 1.005 198 T CB 1.249 70.122 68.868 0.009 0.000 1.136 198 T HN 0.610 nan 8.240 nan 0.000 0.498 199 N N 1.326 120.023 118.700 -0.006 0.000 2.238 199 N HA 0.321 5.061 4.740 -0.000 0.000 0.222 199 N C -0.043 175.455 175.510 -0.020 0.000 1.133 199 N CA -0.203 52.839 53.050 -0.013 0.000 0.854 199 N CB 0.713 39.194 38.487 -0.009 0.000 1.041 199 N HN 0.678 nan 8.380 nan 0.000 0.510 200 A N 0.309 123.116 122.820 -0.022 0.000 2.401 200 A HA 0.261 4.581 4.320 -0.000 0.000 0.259 200 A C 0.448 177.983 177.584 -0.083 0.000 1.103 200 A CA -0.013 51.996 52.037 -0.046 0.000 0.789 200 A CB 0.530 19.506 19.000 -0.041 0.000 1.035 200 A HN 0.061 nan 8.150 nan 0.000 0.491 201 D N 0.958 121.304 120.400 -0.090 0.000 2.454 201 D HA 0.065 4.705 4.640 -0.000 0.000 0.214 201 D C -0.154 176.064 176.300 -0.137 0.000 1.088 201 D CA 0.452 54.393 54.000 -0.098 0.000 0.855 201 D CB 0.247 41.009 40.800 -0.064 0.000 1.025 201 D HN 0.535 nan 8.370 nan 0.000 0.502 202 K N 2.635 122.946 120.400 -0.149 0.000 2.378 202 K HA 0.226 4.546 4.320 -0.000 0.000 0.288 202 K C -2.491 173.933 176.600 -0.292 0.000 1.057 202 K CA -1.246 54.945 56.287 -0.160 0.000 0.971 202 K CB 0.825 33.263 32.500 -0.103 0.000 0.975 202 K HN -0.054 nan 8.250 nan 0.000 0.475 203 P HA 0.118 nan 4.420 nan 0.000 0.285 203 P C -0.064 177.072 177.300 -0.274 0.000 1.259 203 P CA -0.470 62.439 63.100 -0.318 0.000 0.794 203 P CB 0.432 32.042 31.700 -0.151 0.000 0.940 204 F N 1.519 121.417 119.950 -0.087 0.000 2.202 204 F HA 0.095 4.622 4.527 0.000 0.000 0.301 204 F C 1.392 177.151 175.800 -0.068 0.000 1.082 204 F CA 1.460 59.385 58.000 -0.125 0.000 1.313 204 F CB -0.576 38.123 39.000 -0.501 0.000 1.024 204 F HN 0.358 nan 8.300 nan 0.000 0.495 205 A N -1.623 121.228 122.820 0.052 0.000 2.597 205 A HA 0.597 4.916 4.320 -0.000 0.000 0.292 205 A C -0.752 176.732 177.584 -0.166 0.000 1.057 205 A CA -0.609 51.418 52.037 -0.016 0.000 0.674 205 A CB 0.607 19.644 19.000 0.061 0.000 1.278 205 A HN -0.136 nan 8.150 nan 0.000 0.416 206 T N 0.847 115.310 114.554 -0.153 0.000 2.829 206 T HA 0.631 4.980 4.350 -0.000 0.000 0.280 206 T C -1.079 173.498 174.700 -0.205 0.000 0.999 206 T CA -0.260 61.724 62.100 -0.192 0.000 0.983 206 T CB 1.251 70.049 68.868 -0.117 0.000 0.968 206 T HN 0.966 nan 8.240 nan 0.000 0.446 207 V N 2.766 122.527 119.914 -0.255 0.000 2.483 207 V HA 0.677 4.797 4.120 -0.000 0.000 0.297 207 V C 0.406 176.391 176.094 -0.181 0.000 1.027 207 V CA -1.395 60.767 62.300 -0.230 0.000 0.855 207 V CB 1.167 32.806 31.823 -0.307 0.000 0.995 207 V HN 1.028 nan 8.190 nan 0.000 0.424 208 K N 2.847 123.160 120.400 -0.146 0.000 2.401 208 K HA 0.558 4.877 4.320 -0.000 0.000 0.278 208 K C -0.418 176.107 176.600 -0.125 0.000 1.018 208 K CA -0.046 56.174 56.287 -0.112 0.000 0.981 208 K CB 0.788 33.235 32.500 -0.089 0.000 0.933 208 K HN 0.693 nan 8.250 nan 0.000 0.477 209 V N 4.630 124.490 119.914 -0.090 0.000 2.326 209 V HA 0.199 4.318 4.120 -0.000 0.000 0.281 209 V C -0.588 175.475 176.094 -0.051 0.000 1.015 209 V CA -1.243 61.010 62.300 -0.078 0.000 0.823 209 V CB 1.012 32.808 31.823 -0.045 0.000 1.009 209 V HN 0.937 nan 8.190 nan 0.000 0.436 210 D N 6.213 126.581 120.400 -0.054 0.000 2.377 210 D HA 0.346 4.986 4.640 -0.000 0.000 0.245 210 D C -2.297 173.990 176.300 -0.022 0.000 1.196 210 D CA -1.122 52.857 54.000 -0.035 0.000 0.962 210 D CB 1.004 41.782 40.800 -0.037 0.000 1.127 210 D HN 0.291 nan 8.370 nan 0.000 0.471 211 P HA 0.252 nan 4.420 nan 0.000 0.278 211 P C -1.093 176.202 177.300 -0.008 0.000 1.258 211 P CA -0.610 62.485 63.100 -0.008 0.000 0.811 211 P CB 0.458 32.153 31.700 -0.008 0.000 1.063 212 A N 1.505 124.323 122.820 -0.004 0.000 2.524 212 A HA 0.067 4.386 4.320 -0.000 0.000 0.250 212 A C 0.321 177.893 177.584 -0.019 0.000 1.078 212 A CA 0.025 52.057 52.037 -0.008 0.000 0.761 212 A CB -0.928 18.068 19.000 -0.007 0.000 1.012 212 A HN 0.487 nan 8.150 nan 0.000 0.500 213 D N 1.421 121.807 120.400 -0.023 0.000 2.515 213 D HA 0.235 4.875 4.640 -0.000 0.000 0.232 213 D C 0.872 177.146 176.300 -0.044 0.000 1.157 213 D CA 1.589 55.572 54.000 -0.029 0.000 0.871 213 D CB 0.788 41.570 40.800 -0.029 0.000 1.200 213 D HN 0.671 nan 8.370 nan 0.000 0.466 214 G N 0.279 109.057 108.800 -0.037 0.000 2.990 214 G HA2 0.504 4.464 3.960 -0.000 0.000 0.208 214 G HA3 0.504 4.464 3.960 -0.000 0.000 0.208 214 G C -0.741 174.132 174.900 -0.044 0.000 1.334 214 G CA -0.564 44.510 45.100 -0.043 0.000 1.024 214 G HN 0.295 nan 8.290 nan 0.000 0.574 215 L N 0.906 122.112 121.223 -0.028 0.000 2.326 215 L HA 0.489 4.829 4.340 -0.000 0.000 0.278 215 L C 0.998 177.876 176.870 0.014 0.000 1.092 215 L CA -0.137 54.696 54.840 -0.013 0.000 0.810 215 L CB 1.530 43.592 42.059 0.004 0.000 1.153 215 L HN 0.684 nan 8.230 nan 0.000 0.439 216 T N 1.072 115.641 114.554 0.025 0.000 2.885 216 T HA 0.784 5.134 4.350 -0.000 0.000 0.285 216 T C -0.269 174.474 174.700 0.072 0.000 1.019 216 T CA -0.687 61.438 62.100 0.041 0.000 1.010 216 T CB 1.136 70.022 68.868 0.030 0.000 1.022 216 T HN 0.303 nan 8.240 nan 0.000 0.466 217 I N 1.871 122.493 120.570 0.086 0.000 2.493 217 I HA 0.409 4.579 4.170 -0.000 0.000 0.298 217 I C -0.141 176.035 176.117 0.098 0.000 0.998 217 I CA -0.901 60.474 61.300 0.124 0.000 1.137 217 I CB 2.408 40.499 38.000 0.151 0.000 1.310 217 I HN 0.709 nan 8.210 nan 0.000 0.445 218 T N 4.937 119.552 114.554 0.102 0.000 2.786 218 T HA 0.727 5.077 4.350 -0.000 0.000 0.283 218 T C -0.499 174.238 174.700 0.062 0.000 0.992 218 T CA -0.531 61.611 62.100 0.069 0.000 0.954 218 T CB 1.490 70.392 68.868 0.057 0.000 0.934 218 T HN 0.720 nan 8.240 nan 0.000 0.440 219 A N 4.458 127.310 122.820 0.054 0.000 2.572 219 A HA 0.888 5.208 4.320 -0.000 0.000 0.295 219 A C -2.824 174.784 177.584 0.039 0.000 1.072 219 A CA -1.649 50.418 52.037 0.050 0.000 0.691 219 A CB 0.575 19.617 19.000 0.071 0.000 1.291 219 A HN 0.590 nan 8.150 nan 0.000 0.404 220 P HA 0.149 nan 4.420 nan 0.000 0.271 220 P C 0.710 178.021 177.300 0.019 0.000 1.233 220 P CA -0.261 62.855 63.100 0.025 0.000 0.789 220 P CB 0.610 32.325 31.700 0.027 0.000 0.951 221 E N -0.383 119.823 120.200 0.010 0.000 2.150 221 E HA -0.048 4.302 4.350 -0.000 0.000 0.193 221 E C -0.279 176.314 176.600 -0.012 0.000 0.985 221 E CA 1.026 57.428 56.400 0.003 0.000 0.814 221 E CB 0.236 29.938 29.700 0.004 0.000 0.752 221 E HN 0.424 nan 8.360 nan 0.000 0.466 222 S N -1.849 113.841 115.700 -0.017 0.000 2.588 222 S HA 0.708 5.178 4.470 -0.000 0.000 0.269 222 S C -1.245 173.337 174.600 -0.030 0.000 1.157 222 S CA -0.450 57.725 58.200 -0.041 0.000 0.824 222 S CB 2.032 65.203 63.200 -0.048 0.000 1.126 222 S HN 0.281 nan 8.310 nan 0.000 0.464 223 A N 0.827 123.613 122.820 -0.056 0.000 2.593 223 A HA 0.926 5.246 4.320 -0.000 0.000 0.290 223 A C -0.910 176.643 177.584 -0.051 0.000 1.126 223 A CA -0.699 51.327 52.037 -0.018 0.000 0.695 223 A CB 1.458 20.500 19.000 0.070 0.000 1.290 223 A HN 0.637 nan 8.150 nan 0.000 0.414 224 S N 0.133 115.828 115.700 -0.009 0.000 2.621 224 S HA 0.649 5.118 4.470 -0.000 0.000 0.302 224 S C 0.405 175.022 174.600 0.029 0.000 1.093 224 S CA -0.477 57.707 58.200 -0.028 0.000 1.017 224 S CB 1.104 64.286 63.200 -0.030 0.000 1.077 224 S HN 0.949 nan 8.310 nan 0.000 0.517 225 I N -0.344 120.228 120.570 0.004 0.000 3.060 225 I HA 0.246 4.416 4.170 -0.000 0.000 0.285 225 I C 0.296 176.435 176.117 0.038 0.000 1.190 225 I CA -0.359 60.973 61.300 0.053 0.000 1.363 225 I CB -0.001 38.005 38.000 0.010 0.000 1.396 225 I HN 0.753 nan 8.210 nan 0.000 0.607 226 K N 0.723 121.148 120.400 0.041 0.000 3.193 226 K HA -0.247 4.073 4.320 -0.000 0.000 0.294 226 K C -0.179 176.422 176.600 0.003 0.000 1.185 226 K CA 1.535 57.828 56.287 0.010 0.000 0.866 226 K CB -1.234 31.265 32.500 -0.001 0.000 1.227 226 K HN 0.907 nan 8.250 nan 0.000 0.467 227 Q N 0.257 120.067 119.800 0.016 0.000 2.351 227 Q HA 0.353 4.692 4.340 -0.000 0.000 0.273 227 Q C -0.984 175.009 176.000 -0.012 0.000 1.077 227 Q CA -1.051 54.754 55.803 0.003 0.000 0.843 227 Q CB 1.696 30.439 28.738 0.009 0.000 1.367 227 Q HN -0.055 nan 8.270 nan 0.000 0.449 228 D N 1.068 121.450 120.400 -0.029 0.000 2.389 228 D HA 0.252 4.892 4.640 -0.000 0.000 0.247 228 D C -0.885 175.391 176.300 -0.040 0.000 1.128 228 D CA 0.144 54.112 54.000 -0.054 0.000 0.884 228 D CB 1.595 42.364 40.800 -0.052 0.000 1.194 228 D HN 0.293 nan 8.370 nan 0.000 0.441 229 V N 3.383 123.253 119.914 -0.073 0.000 2.447 229 V HA 0.126 4.246 4.120 -0.000 0.000 0.292 229 V C 0.114 176.160 176.094 -0.081 0.000 1.021 229 V CA -0.769 61.509 62.300 -0.037 0.000 0.850 229 V CB 1.686 33.530 31.823 0.036 0.000 1.005 229 V HN 0.437 nan 8.190 nan 0.000 0.426 230 Q N 4.383 124.149 119.800 -0.057 0.000 2.304 230 Q HA 0.458 4.797 4.340 -0.000 0.000 0.260 230 Q C -1.111 174.840 176.000 -0.081 0.000 0.965 230 Q CA -0.140 55.616 55.803 -0.079 0.000 0.898 230 Q CB 0.882 29.591 28.738 -0.048 0.000 1.196 230 Q HN 0.570 nan 8.270 nan 0.000 0.402 231 I N 3.165 123.642 120.570 -0.155 0.000 2.545 231 I HA 0.378 4.547 4.170 -0.000 0.000 0.292 231 I C -0.562 175.472 176.117 -0.139 0.000 1.040 231 I CA -0.449 60.757 61.300 -0.157 0.000 1.068 231 I CB 1.938 39.755 38.000 -0.305 0.000 1.251 231 I HN 0.591 nan 8.210 nan 0.000 0.424 232 T N 4.745 119.319 114.554 0.034 0.000 2.928 232 T HA 0.661 5.010 4.350 -0.000 0.000 0.296 232 T C -0.343 174.498 174.700 0.235 0.000 1.000 232 T CA -0.493 61.687 62.100 0.133 0.000 0.989 232 T CB 1.828 70.741 68.868 0.075 0.000 1.005 232 T HN 0.674 nan 8.240 nan 0.000 0.442 233 A N 2.962 125.983 122.820 0.335 0.000 2.249 233 A HA 0.775 5.095 4.320 -0.000 0.000 0.314 233 A C 0.630 178.290 177.584 0.127 0.000 1.290 233 A CA -0.590 51.578 52.037 0.219 0.000 0.893 233 A CB 0.069 19.155 19.000 0.144 0.000 1.165 233 A HN 1.025 nan 8.150 nan 0.000 0.530 234 T N 1.424 116.026 114.554 0.080 0.000 2.780 234 T HA 0.539 4.889 4.350 -0.000 0.000 0.294 234 T C -0.088 174.616 174.700 0.007 0.000 0.949 234 T CA -0.261 61.866 62.100 0.044 0.000 1.074 234 T CB 0.137 69.024 68.868 0.032 0.000 0.910 234 T HN 0.634 nan 8.240 nan 0.000 0.501 235 V N 6.695 126.600 119.914 -0.015 0.000 2.435 235 V HA 0.428 4.548 4.120 -0.000 0.000 0.290 235 V C -2.015 174.017 176.094 -0.104 0.000 1.030 235 V CA -1.649 60.592 62.300 -0.098 0.000 0.881 235 V CB 1.397 33.142 31.823 -0.131 0.000 0.983 235 V HN 0.834 nan 8.190 nan 0.000 0.445 236 P HA 0.187 nan 4.420 nan 0.000 0.267 236 P C 0.863 178.100 177.300 -0.104 0.000 1.205 236 P CA 0.403 63.444 63.100 -0.099 0.000 0.765 236 P CB 0.695 32.335 31.700 -0.101 0.000 0.828 237 E N 3.634 123.799 120.200 -0.058 0.000 2.253 237 E HA -0.283 4.066 4.350 -0.000 0.000 0.202 237 E C 1.740 178.312 176.600 -0.047 0.000 1.014 237 E CA 1.999 58.375 56.400 -0.040 0.000 0.823 237 E CB -0.940 28.749 29.700 -0.018 0.000 0.736 237 E HN 0.581 nan 8.360 nan 0.000 0.478 238 K N -0.997 119.368 120.400 -0.059 0.000 2.148 238 K HA 0.106 4.426 4.320 -0.000 0.000 0.204 238 K C 2.061 178.621 176.600 -0.066 0.000 1.050 238 K CA 1.222 57.479 56.287 -0.050 0.000 0.942 238 K CB -0.052 32.423 32.500 -0.042 0.000 0.724 238 K HN 0.409 nan 8.250 nan 0.000 0.446 239 L N 0.229 121.365 121.223 -0.145 0.000 2.591 239 L HA 0.049 4.389 4.340 -0.000 0.000 0.228 239 L C 1.140 177.950 176.870 -0.101 0.000 1.133 239 L CA 0.272 54.992 54.840 -0.200 0.000 0.880 239 L CB 0.080 41.842 42.059 -0.495 0.000 1.033 239 L HN 0.166 nan 8.230 nan 0.000 0.450 240 N N -0.093 118.579 118.700 -0.047 0.000 2.451 240 N HA 0.035 4.775 4.740 -0.000 0.000 0.271 240 N C 1.248 176.787 175.510 0.048 0.000 1.410 240 N CA 0.697 53.786 53.050 0.066 0.000 0.884 240 N CB 0.794 39.317 38.487 0.061 0.000 1.332 240 N HN 0.237 nan 8.380 nan 0.000 0.498 241 E N 0.309 120.528 120.200 0.032 0.000 2.273 241 E HA -0.140 4.210 4.350 -0.000 0.000 0.198 241 E C 1.011 177.630 176.600 0.031 0.000 1.002 241 E CA 1.910 58.325 56.400 0.024 0.000 0.828 241 E CB -0.407 29.304 29.700 0.019 0.000 0.747 241 E HN 0.658 nan 8.360 nan 0.000 0.491 245 G N 0.003 108.835 108.800 0.053 0.000 2.653 245 G HA2 0.537 4.496 3.960 -0.000 0.000 0.265 245 G HA3 0.537 4.496 3.960 -0.000 0.000 0.265 245 G C -0.418 174.406 174.900 -0.127 0.000 1.237 245 G CA -0.283 44.742 45.100 -0.125 0.000 0.946 245 G HN 0.144 nan 8.290 nan 0.000 0.522 246 K N -1.889 118.317 120.400 -0.324 0.000 2.480 246 K HA 0.597 4.917 4.320 -0.000 0.000 0.258 246 K C -1.347 175.120 176.600 -0.221 0.000 0.990 246 K CA -0.670 55.507 56.287 -0.185 0.000 0.857 246 K CB 2.910 35.314 32.500 -0.160 0.000 1.384 246 K HN 0.250 nan 8.250 nan 0.000 0.446 247 V N 1.997 121.843 119.914 -0.112 0.000 2.540 247 V HA 0.295 4.414 4.120 -0.000 0.000 0.302 247 V C -0.958 174.986 176.094 -0.250 0.000 1.035 247 V CA -0.698 61.492 62.300 -0.184 0.000 0.873 247 V CB 1.703 33.376 31.823 -0.251 0.000 0.992 247 V HN 0.633 nan 8.190 nan 0.000 0.428 248 Q N 3.530 123.180 119.800 -0.249 0.000 2.314 248 Q HA 0.549 4.889 4.340 -0.000 0.000 0.259 248 Q C -1.327 174.475 176.000 -0.330 0.000 0.951 248 Q CA -0.009 55.645 55.803 -0.249 0.000 0.909 248 Q CB 0.986 29.608 28.738 -0.193 0.000 1.236 248 Q HN 0.518 nan 8.270 nan 0.000 0.444 249 F N 3.242 123.086 119.950 -0.178 0.000 2.378 249 F HA 0.579 5.106 4.527 -0.001 0.000 0.325 249 F C -0.252 175.375 175.800 -0.287 0.000 1.097 249 F CA -0.212 57.747 58.000 -0.068 0.000 1.079 249 F CB 0.950 39.930 39.000 -0.033 0.000 1.240 249 F HN 0.455 nan 8.300 nan 0.000 0.519 250 F N 0.528 120.629 119.950 0.251 0.000 2.578 250 F HA 0.619 5.146 4.527 -0.001 0.000 0.311 250 F C -0.892 175.021 175.800 0.189 0.000 1.094 250 F CA -1.106 57.003 58.000 0.181 0.000 0.923 250 F CB 1.881 40.976 39.000 0.158 0.000 1.230 250 F HN -0.053 nan 8.300 nan 0.000 0.450 251 V N 2.415 122.522 119.914 0.322 0.000 2.495 251 V HA 0.303 4.423 4.120 -0.000 0.000 0.298 251 V C -0.371 175.862 176.094 0.232 0.000 1.031 251 V CA -1.200 61.252 62.300 0.254 0.000 0.871 251 V CB 1.469 33.404 31.823 0.186 0.000 0.988 251 V HN 0.826 nan 8.190 nan 0.000 0.432 252 N N 3.812 122.609 118.700 0.162 0.000 2.702 252 N HA -0.229 4.511 4.740 -0.000 0.000 0.255 252 N C 0.466 176.050 175.510 0.125 0.000 0.983 252 N CA 1.423 54.501 53.050 0.046 0.000 0.768 252 N CB -1.430 37.081 38.487 0.039 0.000 0.918 252 N HN 1.092 nan 8.380 nan 0.000 0.540 253 H N -3.542 115.612 119.070 0.141 0.000 2.958 253 H HA -0.221 4.335 4.556 -0.000 0.000 0.274 253 H C -0.310 175.161 175.328 0.238 0.000 1.184 253 H CA 0.833 56.940 56.048 0.097 0.000 1.143 253 H CB -1.193 28.568 29.762 -0.003 0.000 1.297 253 H HN 0.378 nan 8.280 nan 0.000 0.356 254 I N 0.471 121.321 120.570 0.466 0.000 2.498 254 I HA 0.433 4.603 4.170 -0.000 0.000 0.290 254 I C 0.412 176.707 176.117 0.297 0.000 1.032 254 I CA -0.544 60.984 61.300 0.380 0.000 1.073 254 I CB 1.682 39.800 38.000 0.197 0.000 1.251 254 I HN 0.245 nan 8.210 nan 0.000 0.426 255 A N 5.173 128.051 122.820 0.096 0.000 2.563 255 A HA 0.382 4.701 4.320 -0.000 0.000 0.256 255 A C 0.537 177.997 177.584 -0.207 0.000 1.056 255 A CA 0.142 51.934 52.037 -0.408 0.000 0.775 255 A CB -0.269 18.548 19.000 -0.305 0.000 0.973 255 A HN 0.811 nan 8.150 nan 0.000 0.516 256 A N 4.096 126.782 122.820 -0.222 0.000 2.650 256 A HA 0.617 4.937 4.320 -0.000 0.000 0.320 256 A C 1.224 178.752 177.584 -0.093 0.000 1.466 256 A CA 0.560 52.539 52.037 -0.096 0.000 1.099 256 A CB -1.029 17.947 19.000 -0.040 0.000 1.136 256 A HN 2.859 nan 8.150 nan 0.000 0.532 257 G N 2.224 110.972 108.800 -0.086 0.000 2.698 257 G HA2 -0.142 3.817 3.960 -0.000 0.000 0.233 257 G HA3 -0.142 3.817 3.960 -0.000 0.000 0.233 257 G C -0.489 174.367 174.900 -0.074 0.000 1.352 257 G CA -0.145 44.914 45.100 -0.068 0.000 0.879 257 G HN 0.726 nan 8.290 nan 0.000 0.567 258 D N 1.742 122.112 120.400 -0.051 0.000 2.368 258 D HA 0.479 5.119 4.640 -0.000 0.000 0.240 258 D C -1.729 174.548 176.300 -0.039 0.000 1.169 258 D CA -0.370 53.602 54.000 -0.048 0.000 0.906 258 D CB 0.300 41.080 40.800 -0.033 0.000 1.187 258 D HN 0.273 nan 8.370 nan 0.000 0.435 259 P HA 0.046 nan 4.420 nan 0.000 0.268 259 P C -0.662 176.630 177.300 -0.014 0.000 1.204 259 P CA -0.156 62.912 63.100 -0.054 0.000 0.768 259 P CB 0.566 32.214 31.700 -0.086 0.000 0.842 260 V N 6.345 126.276 119.914 0.029 0.000 2.439 260 V HA 0.303 4.423 4.120 -0.000 0.000 0.282 260 V C -1.828 174.290 176.094 0.040 0.000 1.039 260 V CA -1.930 60.411 62.300 0.068 0.000 0.913 260 V CB 1.087 33.023 31.823 0.188 0.000 0.983 260 V HN 0.563 nan 8.190 nan 0.000 0.460 261 P HA 0.165 nan 4.420 nan 0.000 0.271 261 P C -0.622 176.715 177.300 0.062 0.000 1.218 261 P CA -0.076 63.041 63.100 0.028 0.000 0.780 261 P CB 1.006 32.718 31.700 0.020 0.000 0.901 262 V N 3.127 123.088 119.914 0.078 0.000 2.432 262 V HA 0.180 4.300 4.120 -0.000 0.000 0.275 262 V C 1.372 177.513 176.094 0.078 0.000 1.043 262 V CA -0.166 62.196 62.300 0.104 0.000 0.925 262 V CB 0.696 32.616 31.823 0.162 0.000 0.985 262 V HN 0.740 nan 8.190 nan 0.000 0.466 263 T N 1.670 116.265 114.554 0.067 0.000 2.726 263 T HA 0.181 4.530 4.350 -0.000 0.000 0.294 263 T C 1.106 175.832 174.700 0.045 0.000 1.013 263 T CA -0.380 61.750 62.100 0.049 0.000 0.996 263 T CB 0.813 69.707 68.868 0.042 0.000 1.016 263 T HN 0.617 nan 8.240 nan 0.000 0.529 264 E N 0.379 120.600 120.200 0.034 0.000 2.058 264 E HA -0.187 4.162 4.350 -0.000 0.000 0.194 264 E C 1.792 178.408 176.600 0.027 0.000 0.997 264 E CA 1.692 58.109 56.400 0.029 0.000 0.801 264 E CB -0.580 29.133 29.700 0.023 0.000 0.746 264 E HN 0.835 nan 8.360 nan 0.000 0.450 265 D N 0.202 120.618 120.400 0.027 0.000 2.292 265 D HA -0.209 4.431 4.640 -0.000 0.000 0.205 265 D C 0.261 176.578 176.300 0.028 0.000 0.994 265 D CA 1.376 55.391 54.000 0.026 0.000 0.897 265 D CB -0.199 40.617 40.800 0.027 0.000 0.907 265 D HN 0.249 nan 8.370 nan 0.000 0.467 266 N N -2.549 116.171 118.700 0.035 0.000 3.002 266 N HA -0.152 4.588 4.740 -0.000 0.000 0.229 266 N C -0.881 174.657 175.510 0.047 0.000 0.927 266 N CA 0.611 53.682 53.050 0.034 0.000 0.980 266 N CB -0.371 38.125 38.487 0.015 0.000 1.077 266 N HN 0.182 nan 8.380 nan 0.000 0.572 267 K N 0.394 120.829 120.400 0.058 0.000 2.166 267 K HA 0.821 5.140 4.320 -0.000 0.000 0.245 267 K C -0.595 176.068 176.600 0.105 0.000 0.967 267 K CA -0.398 55.936 56.287 0.078 0.000 0.863 267 K CB 1.931 34.472 32.500 0.069 0.000 1.107 267 K HN 0.080 nan 8.250 nan 0.000 0.436 268 A N 1.026 123.938 122.820 0.152 0.000 2.371 268 A HA 0.644 4.964 4.320 -0.000 0.000 0.311 268 A C -0.996 176.755 177.584 0.278 0.000 1.068 268 A CA -0.612 51.546 52.037 0.202 0.000 0.744 268 A CB 1.453 20.579 19.000 0.209 0.000 1.239 268 A HN 0.517 nan 8.150 nan 0.000 0.435 269 S N 0.028 115.844 115.700 0.193 0.000 2.541 269 S HA 0.833 5.303 4.470 -0.000 0.000 0.280 269 S C -0.438 174.122 174.600 -0.066 0.000 1.112 269 S CA -0.462 57.771 58.200 0.056 0.000 0.925 269 S CB 1.974 65.183 63.200 0.014 0.000 1.067 269 S HN 0.973 nan 8.310 nan 0.000 0.479 270 T N 0.678 115.038 114.554 -0.323 0.000 2.883 270 T HA 0.714 5.064 4.350 -0.000 0.000 0.296 270 T C -1.327 173.199 174.700 -0.291 0.000 1.117 270 T CA -0.428 61.473 62.100 -0.331 0.000 1.006 270 T CB 1.733 70.307 68.868 -0.489 0.000 1.191 270 T HN 0.481 nan 8.240 nan 0.000 0.508 271 S N 1.720 117.288 115.700 -0.220 0.000 2.500 271 S HA 0.821 5.291 4.470 -0.000 0.000 0.301 271 S C -0.810 173.657 174.600 -0.221 0.000 1.092 271 S CA -0.800 57.288 58.200 -0.188 0.000 1.030 271 S CB 0.205 63.330 63.200 -0.126 0.000 1.031 271 S HN 0.681 nan 8.310 nan 0.000 0.483 272 I N 1.423 121.834 120.570 -0.264 0.000 2.865 272 I HA 0.649 4.818 4.170 -0.000 0.000 0.302 272 I C -1.484 174.392 176.117 -0.403 0.000 1.140 272 I CA -1.312 59.775 61.300 -0.356 0.000 1.021 272 I CB 2.088 39.795 38.000 -0.488 0.000 1.233 272 I HN 0.493 nan 8.210 nan 0.000 0.427 273 I N 3.961 124.308 120.570 -0.372 0.000 2.382 273 I HA 0.397 4.567 4.170 -0.000 0.000 0.286 273 I C -0.725 175.213 176.117 -0.299 0.000 1.002 273 I CA -0.358 60.782 61.300 -0.266 0.000 1.135 273 I CB 1.440 39.362 38.000 -0.131 0.000 1.288 273 I HN 0.419 nan 8.210 nan 0.000 0.448 274 F N 4.246 124.170 119.950 -0.042 0.000 2.382 274 F HA 0.166 4.693 4.527 -0.000 0.000 0.331 274 F C 1.430 177.205 175.800 -0.041 0.000 1.121 274 F CA -0.015 57.961 58.000 -0.041 0.000 1.183 274 F CB 0.770 39.741 39.000 -0.048 0.000 1.207 274 F HN 0.502 nan 8.300 nan 0.000 0.555 275 D N -0.394 120.111 120.400 0.175 0.000 2.323 275 D HA 0.024 4.663 4.640 -0.000 0.000 0.218 275 D C 0.537 176.867 176.300 0.050 0.000 0.973 275 D CA 1.076 55.122 54.000 0.077 0.000 0.890 275 D CB 0.366 41.197 40.800 0.052 0.000 1.011 275 D HN 0.559 nan 8.370 nan 0.000 0.499 276 T N -1.235 113.347 114.554 0.048 0.000 2.900 276 T HA 0.474 4.823 4.350 -0.000 0.000 0.295 276 T C 0.105 174.748 174.700 -0.095 0.000 1.044 276 T CA -0.866 61.219 62.100 -0.026 0.000 0.995 276 T CB 2.423 71.281 68.868 -0.017 0.000 1.072 276 T HN -0.050 nan 8.240 nan 0.000 0.473 277 S N 0.908 116.504 115.700 -0.173 0.000 2.600 277 S HA 0.779 5.248 4.470 -0.000 0.000 0.265 277 S C 0.654 175.112 174.600 -0.236 0.000 1.325 277 S CA 0.082 58.127 58.200 -0.259 0.000 1.002 277 S CB 0.228 63.211 63.200 -0.361 0.000 0.921 277 S HN 2.142 nan 8.310 nan 0.000 0.554 278 G N 0.022 108.667 108.800 -0.258 0.000 2.350 278 G HA2 0.320 4.279 3.960 -0.000 0.000 0.304 278 G HA3 0.320 4.279 3.960 -0.000 0.000 0.304 278 G C -1.059 173.717 174.900 -0.207 0.000 1.421 278 G CA -0.877 44.105 45.100 -0.195 0.000 0.934 278 G HN 0.889 nan 8.290 nan 0.000 0.632 279 S N 1.458 117.073 115.700 -0.142 0.000 2.443 279 S HA 0.360 4.830 4.470 -0.000 0.000 0.284 279 S C 0.273 174.796 174.600 -0.128 0.000 1.206 279 S CA -0.240 57.884 58.200 -0.127 0.000 1.074 279 S CB 0.429 63.583 63.200 -0.077 0.000 0.963 279 S HN 0.452 nan 8.310 nan 0.000 0.501 280 K N 2.769 123.070 120.400 -0.165 0.000 2.156 280 K HA 0.324 4.644 4.320 -0.000 0.000 0.271 280 K C -0.200 176.390 176.600 -0.017 0.000 0.995 280 K CA -0.408 55.816 56.287 -0.106 0.000 0.890 280 K CB 1.384 33.750 32.500 -0.223 0.000 1.073 280 K HN 0.335 nan 8.250 nan 0.000 0.454 281 T N 3.931 118.495 114.554 0.016 0.000 2.743 281 T HA 0.362 4.712 4.350 -0.000 0.000 0.292 281 T C 0.250 175.032 174.700 0.137 0.000 0.972 281 T CA -0.604 61.519 62.100 0.038 0.000 0.967 281 T CB 0.300 69.131 68.868 -0.062 0.000 0.926 281 T HN 0.212 nan 8.240 nan 0.000 0.459 282 I N 3.762 124.433 120.570 0.168 0.000 2.359 282 I HA 0.392 4.561 4.170 -0.000 0.000 0.294 282 I C 0.582 176.852 176.117 0.255 0.000 0.987 282 I CA -0.551 60.893 61.300 0.241 0.000 1.225 282 I CB 1.158 39.296 38.000 0.230 0.000 1.366 282 I HN 0.508 nan 8.210 nan 0.000 0.466 283 T N 5.037 119.793 114.554 0.337 0.000 2.861 283 T HA 0.744 5.093 4.350 -0.000 0.000 0.287 283 T C -0.256 174.647 174.700 0.337 0.000 1.003 283 T CA -0.584 61.686 62.100 0.284 0.000 0.977 283 T CB 2.121 71.103 68.868 0.189 0.000 0.996 283 T HN 0.717 nan 8.240 nan 0.000 0.448 284 A N 2.983 125.906 122.820 0.172 0.000 2.342 284 A HA 0.862 5.182 4.320 -0.000 0.000 0.323 284 A C -0.295 177.298 177.584 0.015 0.000 1.125 284 A CA -0.868 51.153 52.037 -0.027 0.000 0.785 284 A CB 1.083 20.027 19.000 -0.095 0.000 1.221 284 A HN 0.806 nan 8.150 nan 0.000 0.463 285 R N 2.350 122.851 120.500 0.002 0.000 2.532 285 R HA 0.506 4.846 4.340 -0.000 0.000 0.297 285 R C -1.897 174.442 176.300 0.066 0.000 0.984 285 R CA -0.538 55.611 56.100 0.081 0.000 0.884 285 R CB 0.988 31.406 30.300 0.196 0.000 1.182 285 R HN 0.621 nan 8.270 nan 0.000 0.442 286 F N 6.150 126.071 119.950 -0.048 0.000 2.438 286 F HA 0.370 4.897 4.527 -0.000 0.000 0.356 286 F C -0.442 175.343 175.800 -0.025 0.000 1.099 286 F CA -0.487 57.485 58.000 -0.047 0.000 1.185 286 F CB 0.606 39.585 39.000 -0.035 0.000 1.115 286 F HN 0.339 nan 8.300 nan 0.000 0.526 287 I N 5.348 125.520 120.570 -0.662 0.000 2.377 287 I HA 0.176 4.346 4.170 -0.000 0.000 0.293 287 I C -0.015 175.594 176.117 -0.847 0.000 0.987 287 I CA -0.593 60.388 61.300 -0.533 0.000 1.185 287 I CB 1.220 39.032 38.000 -0.313 0.000 1.341 287 I HN 0.490 nan 8.210 nan 0.000 0.455 288 D N 3.363 123.498 120.400 -0.441 0.000 2.329 288 D HA 0.384 5.024 4.640 -0.000 0.000 0.246 288 D C 1.037 177.227 176.300 -0.182 0.000 1.111 288 D CA -0.090 53.748 54.000 -0.271 0.000 0.941 288 D CB 1.805 42.569 40.800 -0.060 0.000 1.169 288 D HN 0.620 nan 8.370 nan 0.000 0.441 289 A N 2.423 125.189 122.820 -0.090 0.000 1.903 289 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 289 A C 1.802 179.358 177.584 -0.046 0.000 1.191 289 A CA 2.536 54.542 52.037 -0.053 0.000 0.638 289 A CB -1.180 17.815 19.000 -0.007 0.000 0.823 289 A HN 0.675 nan 8.150 nan 0.000 0.451 290 E N -1.312 118.870 120.200 -0.030 0.000 2.463 290 E HA 0.358 4.707 4.350 -0.000 0.000 0.191 290 E C 1.632 178.213 176.600 -0.032 0.000 1.083 290 E CA 1.088 57.475 56.400 -0.022 0.000 0.872 290 E CB -1.431 28.265 29.700 -0.005 0.000 0.966 290 E HN 2.029 nan 8.360 nan 0.000 0.491 291 G N -2.955 105.810 108.800 -0.058 0.000 2.217 291 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.246 291 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.246 291 G C 0.782 175.649 174.900 -0.056 0.000 0.990 291 G CA 0.292 45.355 45.100 -0.062 0.000 0.627 291 G HN 1.657 nan 8.290 nan 0.000 0.522 292 Y N 0.476 120.754 120.300 -0.036 0.000 2.385 292 Y HA 0.557 5.107 4.550 -0.000 0.000 0.346 292 Y C 0.800 176.699 175.900 -0.002 0.000 1.270 292 Y CA 0.521 58.617 58.100 -0.007 0.000 1.472 292 Y CB 0.164 38.636 38.460 0.020 0.000 1.354 292 Y HN 0.405 nan 8.280 nan 0.000 0.611 293 N N 3.392 122.109 118.700 0.028 0.000 2.976 293 N HA 0.272 5.012 4.740 -0.000 0.000 0.255 293 N C -2.500 173.065 175.510 0.092 0.000 1.312 293 N CA -1.329 51.760 53.050 0.065 0.000 0.897 293 N CB 1.318 39.828 38.487 0.039 0.000 1.184 293 N HN 0.604 nan 8.380 nan 0.000 0.497 294 P HA 0.075 nan 4.420 nan 0.000 0.249 294 P C -0.314 177.031 177.300 0.074 0.000 1.229 294 P CA 0.391 63.551 63.100 0.100 0.000 0.788 294 P CB 0.509 32.279 31.700 0.116 0.000 1.072 295 A N 0.631 123.507 122.820 0.093 0.000 2.354 295 A HA 0.728 5.048 4.320 -0.000 0.000 0.321 295 A C -2.769 174.835 177.584 0.034 0.000 1.125 295 A CA -2.076 49.985 52.037 0.040 0.000 0.799 295 A CB 0.287 19.286 19.000 -0.002 0.000 1.293 295 A HN -0.115 nan 8.150 nan 0.000 0.452 296 P HA 0.201 nan 4.420 nan 0.000 0.272 296 P C -0.890 176.415 177.300 0.009 0.000 1.223 296 P CA -0.156 62.946 63.100 0.004 0.000 0.784 296 P CB 0.440 32.138 31.700 -0.003 0.000 0.923 297 D N 0.481 120.879 120.400 -0.003 0.000 2.372 297 D HA 0.257 4.897 4.640 -0.000 0.000 0.243 297 D C 0.762 177.069 176.300 0.011 0.000 1.121 297 D CA 0.451 54.451 54.000 0.001 0.000 0.898 297 D CB 0.587 41.362 40.800 -0.042 0.000 1.202 297 D HN 0.338 nan 8.370 nan 0.000 0.428 298 G N 0.938 109.755 108.800 0.029 0.000 2.348 298 G HA2 0.418 4.377 3.960 -0.000 0.000 0.312 298 G HA3 0.418 4.377 3.960 -0.000 0.000 0.312 298 G C -0.336 174.606 174.900 0.071 0.000 1.126 298 G CA -0.431 44.695 45.100 0.044 0.000 0.865 298 G HN 0.326 nan 8.290 nan 0.000 0.474 299 E N 0.225 120.467 120.200 0.071 0.000 2.288 299 E HA 0.603 4.953 4.350 -0.000 0.000 0.268 299 E C -0.846 175.805 176.600 0.086 0.000 0.885 299 E CA -0.569 55.888 56.400 0.094 0.000 0.767 299 E CB 2.661 32.417 29.700 0.092 0.000 1.220 299 E HN 0.417 nan 8.360 nan 0.000 0.427 300 T N 1.601 116.214 114.554 0.099 0.000 2.841 300 T HA 0.610 4.959 4.350 -0.000 0.000 0.296 300 T C -1.378 173.362 174.700 0.067 0.000 1.166 300 T CA -0.499 61.646 62.100 0.076 0.000 1.007 300 T CB 0.891 69.805 68.868 0.077 0.000 1.253 300 T HN 0.310 nan 8.240 nan 0.000 0.511 301 I N 2.629 123.224 120.570 0.040 0.000 2.436 301 I HA 0.495 4.665 4.170 -0.000 0.000 0.289 301 I C -0.766 175.351 176.117 -0.001 0.000 1.010 301 I CA -0.819 60.491 61.300 0.016 0.000 1.098 301 I CB 1.809 39.808 38.000 -0.001 0.000 1.266 301 I HN 0.481 nan 8.210 nan 0.000 0.434 302 I N 7.936 128.491 120.570 -0.024 0.000 2.362 302 I HA 0.341 4.511 4.170 -0.000 0.000 0.289 302 I C -2.430 173.599 176.117 -0.146 0.000 0.994 302 I CA -2.063 59.200 61.300 -0.062 0.000 1.158 302 I CB 1.859 39.829 38.000 -0.049 0.000 1.315 302 I HN 0.209 nan 8.210 nan 0.000 0.451 303 P HA 0.179 nan 4.420 nan 0.000 0.282 303 P C -0.708 176.456 177.300 -0.226 0.000 1.274 303 P CA -0.211 62.791 63.100 -0.163 0.000 0.770 303 P CB 0.971 32.605 31.700 -0.111 0.000 0.867 304 V N 5.258 124.980 119.914 -0.319 0.000 2.417 304 V HA 0.376 4.496 4.120 -0.000 0.000 0.291 304 V C 0.542 176.463 176.094 -0.288 0.000 1.024 304 V CA -0.606 61.479 62.300 -0.360 0.000 0.861 304 V CB 1.782 33.220 31.823 -0.641 0.000 0.985 304 V HN 0.385 nan 8.190 nan 0.000 0.436 305 V N 1.947 121.722 119.914 -0.232 0.000 2.994 305 V HA 0.578 4.698 4.120 -0.000 0.000 0.318 305 V C 0.901 176.864 176.094 -0.218 0.000 1.085 305 V CA -0.247 61.905 62.300 -0.247 0.000 0.998 305 V CB 1.317 33.020 31.823 -0.201 0.000 1.063 305 V HN 0.707 nan 8.190 nan 0.000 0.447 306 T N 0.757 115.157 114.554 -0.258 0.000 2.564 306 T HA -0.048 4.302 4.350 -0.000 0.000 0.259 306 T C 0.593 175.218 174.700 -0.126 0.000 1.087 306 T CA 1.919 63.903 62.100 -0.193 0.000 1.184 306 T CB -0.153 68.586 68.868 -0.214 0.000 0.864 306 T HN 0.868 nan 8.240 nan 0.000 0.403 307 E N 0.025 120.151 120.200 -0.122 0.000 2.288 307 E HA 0.511 4.860 4.350 -0.000 0.000 0.268 307 E C -1.946 174.599 176.600 -0.092 0.000 0.885 307 E CA -0.709 55.638 56.400 -0.088 0.000 0.767 307 E CB 1.742 31.398 29.700 -0.074 0.000 1.220 307 E HN 0.063 nan 8.360 nan 0.000 0.427 308 L N 3.845 125.026 121.223 -0.071 0.000 2.318 308 L HA 0.393 4.733 4.340 -0.000 0.000 0.277 308 L C -1.607 175.231 176.870 -0.053 0.000 1.008 308 L CA -0.380 54.421 54.840 -0.065 0.000 0.846 308 L CB 1.244 43.269 42.059 -0.057 0.000 1.220 308 L HN 0.369 nan 8.230 nan 0.000 0.423 309 D N 3.314 123.679 120.400 -0.058 0.000 2.380 309 D HA 0.332 4.972 4.640 -0.000 0.000 0.230 309 D C 0.140 176.405 176.300 -0.058 0.000 1.154 309 D CA 0.070 54.038 54.000 -0.053 0.000 0.859 309 D CB 1.013 41.778 40.800 -0.059 0.000 1.045 309 D HN 0.605 nan 8.370 nan 0.000 0.495 310 T N -0.698 113.832 114.554 -0.041 0.000 2.882 310 T HA 0.283 4.632 4.350 -0.000 0.000 0.287 310 T C 0.584 175.261 174.700 -0.038 0.000 1.014 310 T CA -1.136 60.943 62.100 -0.035 0.000 1.049 310 T CB 0.992 69.853 68.868 -0.011 0.000 1.001 310 T HN 0.333 nan 8.240 nan 0.000 0.525 311 K N 1.127 121.505 120.400 -0.037 0.000 2.440 311 K HA 0.140 4.459 4.320 -0.000 0.000 0.270 311 K C -0.172 176.447 176.600 0.031 0.000 0.980 311 K CA -0.422 55.857 56.287 -0.013 0.000 0.953 311 K CB 0.458 33.001 32.500 0.072 0.000 0.925 311 K HN 0.482 nan 8.250 nan 0.000 0.497 312 K N 1.925 122.353 120.400 0.047 0.000 2.219 312 K HA 0.029 4.349 4.320 -0.000 0.000 0.258 312 K C -1.807 174.836 176.600 0.071 0.000 1.008 312 K CA -1.627 54.693 56.287 0.054 0.000 0.928 312 K CB 0.478 33.015 32.500 0.061 0.000 0.983 312 K HN 0.425 nan 8.250 nan 0.000 0.484 313 P HA -0.188 nan 4.420 nan 0.000 0.220 313 P C 0.550 177.897 177.300 0.078 0.000 1.148 313 P CA 1.162 64.298 63.100 0.060 0.000 0.803 313 P CB 0.198 31.924 31.700 0.043 0.000 0.782 314 E N -1.144 119.112 120.200 0.095 0.000 2.489 314 E HA -0.040 4.310 4.350 -0.000 0.000 0.193 314 E C 0.079 176.803 176.600 0.206 0.000 1.057 314 E CA 0.281 56.753 56.400 0.121 0.000 0.866 314 E CB -0.722 29.045 29.700 0.112 0.000 0.916 314 E HN 0.141 nan 8.360 nan 0.000 0.500 315 D N 2.785 123.304 120.400 0.199 0.000 2.383 315 D HA -0.005 4.635 4.640 -0.000 0.000 0.245 315 D C 0.872 177.303 176.300 0.219 0.000 1.263 315 D CA 0.224 54.375 54.000 0.252 0.000 0.936 315 D CB 0.888 41.816 40.800 0.212 0.000 1.053 315 D HN 0.119 nan 8.370 nan 0.000 0.507 316 T N -0.069 114.625 114.554 0.232 0.000 3.035 316 T HA -0.074 4.276 4.350 -0.000 0.000 0.268 316 T C 0.721 175.487 174.700 0.110 0.000 1.109 316 T CA 0.183 62.359 62.100 0.128 0.000 1.119 316 T CB 0.238 69.139 68.868 0.055 0.000 0.900 316 T HN 0.211 nan 8.240 nan 0.000 0.503 317 D N 2.059 122.541 120.400 0.136 0.000 2.414 317 D HA 0.475 5.114 4.640 -0.000 0.000 0.251 317 D C 0.445 176.737 176.300 -0.014 0.000 1.252 317 D CA 0.013 54.016 54.000 0.005 0.000 0.999 317 D CB 1.204 41.945 40.800 -0.099 0.000 1.093 317 D HN 0.515 nan 8.370 nan 0.000 0.515 318 S N -1.141 114.456 115.700 -0.171 0.000 2.651 318 S HA 0.664 5.134 4.470 -0.000 0.000 0.279 318 S C -1.606 172.821 174.600 -0.288 0.000 1.148 318 S CA -0.797 57.377 58.200 -0.044 0.000 0.837 318 S CB 1.128 64.360 63.200 0.053 0.000 1.138 318 S HN 0.359 nan 8.310 nan 0.000 0.478 319 Y N -0.239 120.088 120.300 0.045 0.000 2.536 319 Y HA 0.842 5.392 4.550 -0.000 0.000 0.347 319 Y C 0.698 176.626 175.900 0.047 0.000 1.000 319 Y CA -0.627 57.503 58.100 0.050 0.000 1.051 319 Y CB 2.207 40.701 38.460 0.057 0.000 1.259 319 Y HN 0.993 nan 8.280 nan 0.000 0.468 320 T N -0.542 114.128 114.554 0.193 0.000 2.696 320 T HA 0.888 5.238 4.350 -0.000 0.000 0.291 320 T C -0.669 174.109 174.700 0.130 0.000 1.095 320 T CA -0.102 62.078 62.100 0.133 0.000 1.026 320 T CB 1.732 70.649 68.868 0.081 0.000 1.390 320 T HN 1.103 nan 8.240 nan 0.000 0.513 321 G N -0.146 108.713 108.800 0.097 0.000 2.488 321 G HA2 0.626 4.586 3.960 -0.000 0.000 0.301 321 G HA3 0.626 4.586 3.960 -0.000 0.000 0.301 321 G C -2.396 172.542 174.900 0.064 0.000 1.339 321 G CA -0.661 44.491 45.100 0.087 0.000 0.803 321 G HN 0.829 nan 8.290 nan 0.000 0.482 322 L N 0.006 121.259 121.223 0.049 0.000 2.513 322 L HA 0.650 4.990 4.340 -0.000 0.000 0.261 322 L C -1.190 175.694 176.870 0.022 0.000 0.945 322 L CA -0.649 54.213 54.840 0.035 0.000 0.848 322 L CB 2.662 44.731 42.059 0.016 0.000 1.334 322 L HN 0.649 nan 8.230 nan 0.000 0.407 323 I N 2.853 123.448 120.570 0.042 0.000 2.436 323 I HA 0.461 4.631 4.170 -0.000 0.000 0.289 323 I C -0.297 175.833 176.117 0.023 0.000 1.010 323 I CA -0.074 61.245 61.300 0.032 0.000 1.098 323 I CB 1.252 39.326 38.000 0.125 0.000 1.266 323 I HN 0.746 nan 8.210 nan 0.000 0.434 324 N N 5.383 124.078 118.700 -0.007 0.000 2.721 324 N HA -0.207 4.532 4.740 -0.000 0.000 0.249 324 N C 0.786 176.294 175.510 -0.004 0.000 1.072 324 N CA 1.463 54.507 53.050 -0.010 0.000 0.710 324 N CB -1.282 37.203 38.487 -0.003 0.000 0.993 324 N HN 1.206 nan 8.380 nan 0.000 0.547 325 G N -2.673 106.123 108.800 -0.006 0.000 2.162 325 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.260 325 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.260 325 G C -0.039 174.866 174.900 0.009 0.000 0.976 325 G CA 0.619 45.717 45.100 -0.002 0.000 0.655 325 G HN 0.624 nan 8.290 nan 0.000 0.533 326 S N -0.600 115.111 115.700 0.020 0.000 2.570 326 S HA 0.815 5.285 4.470 -0.000 0.000 0.286 326 S C 0.201 174.825 174.600 0.041 0.000 1.099 326 S CA 0.034 58.251 58.200 0.028 0.000 0.913 326 S CB 2.037 65.255 63.200 0.030 0.000 1.085 326 S HN 1.571 nan 8.310 nan 0.000 0.480 327 A N 2.289 125.134 122.820 0.042 0.000 2.354 327 A HA 0.601 4.920 4.320 -0.000 0.000 0.281 327 A C 0.782 178.400 177.584 0.056 0.000 1.174 327 A CA -0.325 51.744 52.037 0.053 0.000 0.828 327 A CB -0.337 18.692 19.000 0.047 0.000 1.099 327 A HN 0.817 nan 8.150 nan 0.000 0.516 328 T N 0.042 114.639 114.554 0.072 0.000 2.906 328 T HA 0.837 5.187 4.350 -0.000 0.000 0.283 328 T C 0.370 175.106 174.700 0.060 0.000 1.098 328 T CA 0.128 62.270 62.100 0.069 0.000 0.960 328 T CB 0.843 69.767 68.868 0.093 0.000 1.776 328 T HN 1.759 nan 8.240 nan 0.000 0.594 329 S N -0.448 115.283 115.700 0.051 0.000 2.611 329 S HA 0.391 4.861 4.470 -0.000 0.000 0.268 329 S C 0.322 174.934 174.600 0.020 0.000 1.156 329 S CA -0.594 57.627 58.200 0.035 0.000 0.817 329 S CB 0.584 63.801 63.200 0.027 0.000 1.122 329 S HN 0.875 nan 8.310 nan 0.000 0.466 330 L N -0.008 121.215 121.223 0.000 0.000 2.418 330 L HA 0.424 4.764 4.340 -0.000 0.000 0.218 330 L C 2.916 179.770 176.870 -0.027 0.000 1.125 330 L CA 1.392 56.217 54.840 -0.025 0.000 0.835 330 L CB -1.577 40.450 42.059 -0.052 0.000 0.953 330 L HN 0.783 nan 8.230 nan 0.000 0.454 331 L N -0.421 120.795 121.223 -0.012 0.000 2.156 331 L HA 0.113 4.453 4.340 -0.000 0.000 0.208 331 L C 1.735 178.603 176.870 -0.003 0.000 1.095 331 L CA 1.773 56.606 54.840 -0.011 0.000 0.770 331 L CB -0.719 41.339 42.059 -0.002 0.000 0.914 331 L HN 0.432 nan 8.230 nan 0.000 0.439 332 K N 0.656 121.061 120.400 0.008 0.000 2.752 332 K HA 0.412 4.731 4.320 -0.000 0.000 0.199 332 K C -3.045 173.576 176.600 0.034 0.000 1.069 332 K CA -1.794 54.504 56.287 0.019 0.000 1.033 332 K CB 1.460 33.973 32.500 0.022 0.000 1.229 332 K HN 0.277 nan 8.250 nan 0.000 0.572 333 P HA 0.129 nan 4.420 nan 0.000 0.276 333 P C -0.838 176.524 177.300 0.102 0.000 1.252 333 P CA -0.500 62.644 63.100 0.073 0.000 0.802 333 P CB 0.765 32.503 31.700 0.063 0.000 1.035 334 A N 1.740 124.649 122.820 0.149 0.000 2.546 334 A HA 0.022 4.342 4.320 -0.000 0.000 0.243 334 A C 0.245 177.925 177.584 0.160 0.000 1.063 334 A CA 0.291 52.416 52.037 0.147 0.000 0.757 334 A CB -0.645 18.458 19.000 0.173 0.000 0.991 334 A HN 0.376 nan 8.150 nan 0.000 0.503 335 K N 2.093 122.556 120.400 0.105 0.000 2.316 335 K HA 0.462 4.782 4.320 -0.000 0.000 0.289 335 K C -0.631 176.020 176.600 0.085 0.000 1.070 335 K CA -0.123 56.224 56.287 0.098 0.000 0.928 335 K CB 0.922 33.459 32.500 0.063 0.000 1.039 335 K HN 0.479 nan 8.250 nan 0.000 0.480 339 G N 0.527 109.308 108.800 -0.032 0.000 2.316 339 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.203 339 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.203 339 G C 0.073 174.953 174.900 -0.034 0.000 0.999 339 G CA 0.204 45.289 45.100 -0.026 0.000 0.649 339 G HN 0.897 nan 8.290 nan 0.000 0.489 340 E N 1.079 121.250 120.200 -0.049 0.000 2.283 340 E HA 0.627 4.977 4.350 -0.000 0.000 0.271 340 E C -0.033 176.533 176.600 -0.058 0.000 1.031 340 E CA -0.699 55.669 56.400 -0.053 0.000 0.868 340 E CB 0.667 30.330 29.700 -0.062 0.000 1.094 340 E HN 0.232 nan 8.360 nan 0.000 0.401 341 K N 1.632 122.003 120.400 -0.049 0.000 2.143 341 K HA 0.355 4.674 4.320 -0.000 0.000 0.272 341 K C -0.724 175.847 176.600 -0.048 0.000 1.001 341 K CA -0.687 55.574 56.287 -0.043 0.000 0.915 341 K CB 1.612 34.080 32.500 -0.053 0.000 1.047 341 K HN 0.416 nan 8.250 nan 0.000 0.458 342 V N -1.322 118.577 119.914 -0.025 0.000 3.007 342 V HA 0.664 4.784 4.120 -0.000 0.000 0.311 342 V C -0.725 175.355 176.094 -0.023 0.000 1.120 342 V CA -0.901 61.379 62.300 -0.033 0.000 0.980 342 V CB 1.904 33.696 31.823 -0.052 0.000 1.033 342 V HN 0.806 nan 8.190 nan 0.000 0.429 343 S N 1.787 117.456 115.700 -0.051 0.000 2.473 343 S HA 0.906 5.375 4.470 -0.000 0.000 0.307 343 S C -0.779 173.771 174.600 -0.084 0.000 1.094 343 S CA -0.632 57.528 58.200 -0.068 0.000 1.070 343 S CB 1.468 64.625 63.200 -0.072 0.000 1.019 343 S HN 1.244 nan 8.310 nan 0.000 0.480 344 V N 1.966 121.826 119.914 -0.090 0.000 2.823 344 V HA 0.829 4.949 4.120 -0.000 0.000 0.312 344 V C -0.180 175.877 176.094 -0.060 0.000 1.072 344 V CA -0.616 61.588 62.300 -0.160 0.000 0.937 344 V CB 2.143 33.686 31.823 -0.466 0.000 1.013 344 V HN 1.012 nan 8.190 nan 0.000 0.430 345 S N 1.892 117.568 115.700 -0.041 0.000 2.536 345 S HA 0.904 5.374 4.470 -0.000 0.000 0.287 345 S C -0.872 173.748 174.600 0.033 0.000 1.101 345 S CA 0.027 58.225 58.200 -0.004 0.000 0.950 345 S CB 1.688 64.883 63.200 -0.008 0.000 1.056 345 S HN 1.351 nan 8.310 nan 0.000 0.481 346 A N 2.701 125.556 122.820 0.059 0.000 2.398 346 A HA 0.776 5.096 4.320 -0.000 0.000 0.301 346 A C -0.784 176.868 177.584 0.113 0.000 1.041 346 A CA -0.557 51.546 52.037 0.110 0.000 0.711 346 A CB 1.766 20.856 19.000 0.150 0.000 1.240 346 A HN 0.647 nan 8.150 nan 0.000 0.420 347 S N 1.459 117.234 115.700 0.126 0.000 2.502 347 S HA 0.585 5.055 4.470 -0.000 0.000 0.304 347 S C -0.622 174.024 174.600 0.077 0.000 1.097 347 S CA -0.467 57.786 58.200 0.089 0.000 1.045 347 S CB 1.311 64.542 63.200 0.052 0.000 1.019 347 S HN 0.764 nan 8.310 nan 0.000 0.481 348 L N 4.955 126.183 121.223 0.009 0.000 2.292 348 L HA 0.571 4.911 4.340 -0.000 0.000 0.284 348 L C -1.494 175.262 176.870 -0.191 0.000 1.065 348 L CA -0.741 53.957 54.840 -0.236 0.000 0.806 348 L CB 0.389 42.341 42.059 -0.178 0.000 1.175 348 L HN 0.601 nan 8.230 nan 0.000 0.431 349 L N 7.135 128.198 121.223 -0.268 0.000 2.283 349 L HA 0.444 4.784 4.340 -0.000 0.000 0.281 349 L C -2.151 174.642 176.870 -0.128 0.000 1.033 349 L CA -1.982 52.774 54.840 -0.140 0.000 0.848 349 L CB 0.986 42.987 42.059 -0.097 0.000 1.226 349 L HN 0.471 nan 8.230 nan 0.000 0.429 350 P HA -0.024 nan 4.420 nan 0.000 0.265 350 P C 0.242 177.519 177.300 -0.039 0.000 1.187 350 P CA 0.160 63.227 63.100 -0.054 0.000 0.766 350 P CB 0.755 32.434 31.700 -0.035 0.000 0.820 351 N N 2.665 121.352 118.700 -0.021 0.000 2.173 351 N HA -0.075 4.665 4.740 -0.000 0.000 0.184 351 N C 0.400 175.900 175.510 -0.016 0.000 1.025 351 N CA 1.314 54.355 53.050 -0.014 0.000 0.852 351 N CB 0.267 38.753 38.487 -0.002 0.000 0.998 351 N HN 0.501 nan 8.380 nan 0.000 0.427 352 K N -1.241 119.148 120.400 -0.019 0.000 2.372 352 K HA 0.767 5.087 4.320 -0.000 0.000 0.251 352 K C -1.499 175.088 176.600 -0.022 0.000 1.055 352 K CA -1.085 55.189 56.287 -0.022 0.000 0.879 352 K CB 1.859 34.342 32.500 -0.029 0.000 1.384 352 K HN -0.057 nan 8.250 nan 0.000 0.465 353 A N 1.127 123.934 122.820 -0.022 0.000 2.449 353 A HA 0.644 4.964 4.320 -0.000 0.000 0.302 353 A C -2.608 174.963 177.584 -0.021 0.000 1.048 353 A CA -1.281 50.743 52.037 -0.022 0.000 0.708 353 A CB 0.853 19.841 19.000 -0.020 0.000 1.274 353 A HN 0.730 nan 8.150 nan 0.000 0.410 354 P HA 0.749 nan 4.420 nan 0.000 0.281 354 P C -0.703 176.584 177.300 -0.021 0.000 1.264 354 P CA -0.254 62.834 63.100 -0.020 0.000 0.824 354 P CB 1.111 32.802 31.700 -0.015 0.000 1.092 355 I N -2.431 118.128 120.570 -0.019 0.000 3.174 355 I HA 0.633 4.803 4.170 -0.000 0.000 0.313 355 I C -0.746 175.359 176.117 -0.022 0.000 1.155 355 I CA -1.481 59.813 61.300 -0.009 0.000 0.977 355 I CB 2.519 40.533 38.000 0.023 0.000 1.248 355 I HN 0.019 nan 8.210 nan 0.000 0.453 356 R N 2.522 123.000 120.500 -0.036 0.000 2.343 356 R HA 0.700 5.040 4.340 -0.000 0.000 0.320 356 R C -1.419 174.623 176.300 -0.429 0.000 0.956 356 R CA -0.833 55.179 56.100 -0.146 0.000 0.836 356 R CB 1.989 32.241 30.300 -0.080 0.000 1.151 356 R HN 0.563 nan 8.270 nan 0.000 0.450 357 V N 4.684 124.328 119.914 -0.451 0.000 2.531 357 V HA 0.263 4.383 4.120 -0.000 0.000 0.301 357 V C -0.328 175.423 176.094 -0.572 0.000 1.034 357 V CA -0.542 61.427 62.300 -0.552 0.000 0.865 357 V CB 1.480 33.175 31.823 -0.213 0.000 0.995 357 V HN 0.664 nan 8.190 nan 0.000 0.424 358 Y N 1.717 121.721 120.300 -0.493 0.000 2.259 358 Y HA 0.375 4.925 4.550 -0.000 0.000 0.285 358 Y C 1.106 176.773 175.900 -0.389 0.000 1.130 358 Y CA -0.175 57.462 58.100 -0.772 0.000 1.144 358 Y CB 0.116 38.014 38.460 -0.936 0.000 1.093 358 Y HN 0.476 nan 8.280 nan 0.000 0.507 359 E N 0.585 120.758 120.200 -0.045 0.000 2.227 359 E HA 0.593 4.942 4.350 -0.000 0.000 0.268 359 E C -1.184 175.556 176.600 0.232 0.000 0.907 359 E CA -0.710 55.696 56.400 0.010 0.000 0.786 359 E CB 2.175 32.033 29.700 0.264 0.000 1.191 359 E HN 0.260 nan 8.360 nan 0.000 0.411 360 I N -1.273 119.474 120.570 0.295 0.000 2.802 360 I HA 0.914 5.084 4.170 -0.000 0.000 0.298 360 I C -0.418 175.903 176.117 0.340 0.000 1.176 360 I CA -0.713 60.788 61.300 0.335 0.000 1.025 360 I CB 2.469 40.630 38.000 0.268 0.000 1.243 360 I HN 0.554 nan 8.210 nan 0.000 0.424 361 G N 4.270 113.259 108.800 0.315 0.000 2.632 361 G HA2 0.568 4.527 3.960 -0.000 0.000 0.292 361 G HA3 0.568 4.527 3.960 -0.000 0.000 0.292 361 G C -1.643 173.377 174.900 0.200 0.000 1.465 361 G CA -0.886 44.267 45.100 0.088 0.000 0.824 361 G HN 0.681 nan 8.290 nan 0.000 0.509 362 I N 1.046 121.722 120.570 0.176 0.000 2.395 362 I HA 0.249 4.419 4.170 -0.000 0.000 0.289 362 I C 0.019 176.338 176.117 0.336 0.000 1.023 362 I CA -0.528 60.943 61.300 0.283 0.000 1.350 362 I CB 1.586 39.799 38.000 0.355 0.000 1.409 362 I HN 0.396 nan 8.210 nan 0.000 0.507 363 N N 5.109 124.000 118.700 0.318 0.000 2.446 363 N HA 0.617 5.357 4.740 -0.000 0.000 0.265 363 N C -0.802 174.764 175.510 0.093 0.000 0.975 363 N CA -0.351 52.842 53.050 0.237 0.000 0.928 363 N CB 1.280 39.835 38.487 0.114 0.000 1.160 363 N HN 0.694 nan 8.380 nan 0.000 0.495 364 A N 3.981 126.810 122.820 0.014 0.000 2.279 364 A HA 0.650 4.970 4.320 -0.000 0.000 0.303 364 A C -2.292 175.160 177.584 -0.220 0.000 1.108 364 A CA -1.446 50.478 52.037 -0.188 0.000 0.830 364 A CB 0.008 18.843 19.000 -0.276 0.000 1.106 364 A HN 0.595 nan 8.150 nan 0.000 0.493 365 P HA -0.045 nan 4.420 nan 0.000 0.266 365 P C -0.100 177.139 177.300 -0.102 0.000 1.186 365 P CA 0.223 63.207 63.100 -0.193 0.000 0.767 365 P CB 0.306 31.885 31.700 -0.202 0.000 0.820 366 E N 2.040 122.213 120.200 -0.046 0.000 2.529 366 E HA -0.156 4.194 4.350 -0.000 0.000 0.259 366 E C 0.006 176.597 176.600 -0.015 0.000 0.966 366 E CA 0.683 57.072 56.400 -0.018 0.000 0.937 366 E CB -0.005 29.692 29.700 -0.005 0.000 0.923 366 E HN 0.429 nan 8.360 nan 0.000 0.468 367 D N 0.798 121.200 120.400 0.002 0.000 2.139 367 D HA -0.174 4.466 4.640 -0.000 0.000 0.166 367 D C -0.473 175.840 176.300 0.022 0.000 1.145 367 D CA 0.846 54.851 54.000 0.008 0.000 1.097 367 D CB -0.877 39.919 40.800 -0.006 0.000 1.164 367 D HN 0.242 nan 8.370 nan 0.000 0.513 368 V N 1.637 121.561 119.914 0.017 0.000 2.555 368 V HA 0.130 4.250 4.120 -0.000 0.000 0.286 368 V C 0.855 177.068 176.094 0.198 0.000 1.044 368 V CA 0.307 62.650 62.300 0.072 0.000 1.026 368 V CB 1.262 33.094 31.823 0.015 0.000 0.981 368 V HN -0.021 nan 8.190 nan 0.000 0.480 369 K N 4.149 124.690 120.400 0.236 0.000 2.183 369 K HA 0.342 4.662 4.320 -0.000 0.000 0.274 369 K C -0.656 176.180 176.600 0.394 0.000 1.009 369 K CA -0.593 55.851 56.287 0.262 0.000 0.888 369 K CB 1.239 33.822 32.500 0.138 0.000 1.078 369 K HN 0.663 nan 8.250 nan 0.000 0.459 370 Y N 4.350 124.807 120.300 0.263 0.000 2.442 370 Y HA 0.080 4.629 4.550 -0.000 0.000 0.330 370 Y C -0.158 175.685 175.900 -0.094 0.000 1.129 370 Y CA -0.603 57.512 58.100 0.025 0.000 1.365 370 Y CB 0.486 38.994 38.460 0.080 0.000 1.233 370 Y HN 0.366 nan 8.280 nan 0.000 0.529 371 I N 6.430 126.510 120.570 -0.817 0.000 2.379 371 I HA 0.027 4.196 4.170 -0.000 0.000 0.290 371 I C -0.108 175.456 176.117 -0.923 0.000 1.063 371 I CA -0.498 60.410 61.300 -0.652 0.000 1.351 371 I CB -0.130 37.580 38.000 -0.483 0.000 1.410 371 I HN 0.633 nan 8.210 nan 0.000 0.505 372 D N 5.539 125.680 120.400 -0.432 0.000 2.533 372 D HA 0.223 4.862 4.640 -0.000 0.000 0.236 372 D C 1.335 177.511 176.300 -0.206 0.000 1.137 372 D CA 1.056 54.936 54.000 -0.200 0.000 0.867 372 D CB 0.588 41.372 40.800 -0.027 0.000 1.170 372 D HN 0.898 nan 8.370 nan 0.000 0.474 373 G N 1.721 110.481 108.800 -0.067 0.000 2.136 373 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.242 373 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.242 373 G C 0.920 175.773 174.900 -0.078 0.000 0.989 373 G CA 0.820 45.906 45.100 -0.024 0.000 0.682 373 G HN 0.669 nan 8.290 nan 0.000 0.522 374 T N -2.434 112.008 114.554 -0.185 0.000 2.990 374 T HA 0.498 4.847 4.350 -0.000 0.000 0.250 374 T C 1.434 176.084 174.700 -0.083 0.000 1.041 374 T CA 1.102 63.081 62.100 -0.202 0.000 1.010 374 T CB 0.825 69.472 68.868 -0.369 0.000 1.003 374 T HN 1.392 nan 8.240 nan 0.000 0.499 375 G N 2.100 110.988 108.800 0.146 0.000 2.380 375 G HA2 0.537 4.497 3.960 -0.000 0.000 0.262 375 G HA3 0.537 4.497 3.960 -0.000 0.000 0.262 375 G C -0.689 174.201 174.900 -0.016 0.000 1.243 375 G CA -0.657 44.604 45.100 0.269 0.000 0.865 375 G HN 0.801 nan 8.290 nan 0.000 0.513 376 K N -0.016 120.126 120.400 -0.430 0.000 2.642 376 K HA 0.626 4.946 4.320 -0.000 0.000 0.290 376 K C -0.838 175.331 176.600 -0.718 0.000 1.006 376 K CA -0.933 54.974 56.287 -0.634 0.000 0.869 376 K CB 1.144 33.474 32.500 -0.284 0.000 1.499 376 K HN 0.550 nan 8.250 nan 0.000 0.403 377 T N -1.892 112.223 114.554 -0.732 0.000 2.949 377 T HA 0.312 4.662 4.350 -0.000 0.000 0.287 377 T C 0.507 174.887 174.700 -0.533 0.000 1.034 377 T CA -1.047 60.619 62.100 -0.724 0.000 1.018 377 T CB 1.003 69.173 68.868 -1.163 0.000 1.135 377 T HN 0.568 nan 8.240 nan 0.000 0.532 378 N N 1.211 119.656 118.700 -0.425 0.000 2.734 378 N HA 0.021 4.761 4.740 -0.000 0.000 0.201 378 N C -0.833 174.709 175.510 0.052 0.000 1.458 378 N CA 0.569 53.553 53.050 -0.110 0.000 0.931 378 N CB -0.799 37.790 38.487 0.169 0.000 1.119 378 N HN 0.746 nan 8.380 nan 0.000 0.454 379 Y N -4.301 115.986 120.300 -0.023 0.000 2.643 379 Y HA 0.122 4.672 4.550 -0.000 0.000 0.347 379 Y C -0.533 175.379 175.900 0.021 0.000 1.208 379 Y CA -1.848 56.255 58.100 0.006 0.000 1.245 379 Y CB -0.174 38.299 38.460 0.022 0.000 1.369 379 Y HN -0.054 nan 8.280 nan 0.000 0.487 380 S N 1.514 117.346 115.700 0.220 0.000 2.560 380 S HA 0.646 5.116 4.470 -0.000 0.000 0.284 380 S C -0.075 174.686 174.600 0.268 0.000 1.327 380 S CA 0.254 58.551 58.200 0.161 0.000 1.055 380 S CB 0.525 63.803 63.200 0.130 0.000 0.868 380 S HN 1.593 nan 8.310 nan 0.000 0.506 381 S N 1.243 117.075 115.700 0.221 0.000 2.588 381 S HA 0.623 5.093 4.470 -0.000 0.000 0.269 381 S C -1.549 173.248 174.600 0.329 0.000 1.157 381 S CA -1.293 57.112 58.200 0.343 0.000 0.824 381 S CB 1.116 64.516 63.200 0.332 0.000 1.126 381 S HN 0.757 nan 8.310 nan 0.000 0.464 382 K N 0.791 121.407 120.400 0.360 0.000 2.221 382 K HA 0.476 4.795 4.320 -0.000 0.000 0.258 382 K C -1.121 175.564 176.600 0.141 0.000 0.944 382 K CA -0.657 55.735 56.287 0.175 0.000 0.823 382 K CB 1.878 34.356 32.500 -0.036 0.000 1.113 382 K HN 0.626 nan 8.250 nan 0.000 0.431 383 L N 3.611 124.813 121.223 -0.035 0.000 2.385 383 L HA 0.154 4.494 4.340 -0.000 0.000 0.285 383 L C 0.639 177.356 176.870 -0.255 0.000 1.125 383 L CA 0.119 54.749 54.840 -0.350 0.000 0.890 383 L CB 0.397 42.195 42.059 -0.436 0.000 1.251 383 L HN 0.908 nan 8.230 nan 0.000 0.445 384 A N 2.753 125.492 122.820 -0.134 0.000 1.956 384 A HA 0.140 4.459 4.320 -0.000 0.000 0.212 384 A C 0.956 178.473 177.584 -0.112 0.000 1.188 384 A CA 0.569 52.479 52.037 -0.212 0.000 0.675 384 A CB 0.102 18.975 19.000 -0.212 0.000 0.845 384 A HN 0.566 nan 8.150 nan 0.000 0.455 385 T N 1.190 115.801 114.554 0.094 0.000 2.779 385 T HA 0.533 4.882 4.350 -0.000 0.000 0.280 385 T C -0.833 173.890 174.700 0.039 0.000 0.987 385 T CA -0.109 62.119 62.100 0.213 0.000 0.966 385 T CB 1.409 70.614 68.868 0.562 0.000 0.933 385 T HN 0.126 nan 8.240 nan 0.000 0.442 386 T N 2.771 117.349 114.554 0.039 0.000 2.812 386 T HA 0.635 4.985 4.350 -0.000 0.000 0.282 386 T C 0.999 175.731 174.700 0.053 0.000 0.990 386 T CA 0.139 62.227 62.100 -0.020 0.000 0.960 386 T CB 1.359 70.191 68.868 -0.059 0.000 0.948 386 T HN 0.964 nan 8.240 nan 0.000 0.438 387 G N 3.385 112.225 108.800 0.067 0.000 2.596 387 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.304 387 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.304 387 G C 0.939 175.847 174.900 0.013 0.000 1.189 387 G CA 0.681 45.808 45.100 0.046 0.000 0.986 387 G HN 1.475 nan 8.290 nan 0.000 0.548 388 S N -0.887 114.816 115.700 0.004 0.000 2.650 388 S HA 0.588 5.058 4.470 -0.000 0.000 0.240 388 S C 0.164 174.880 174.600 0.193 0.000 1.007 388 S CA 0.675 58.884 58.200 0.014 0.000 0.984 388 S CB 0.854 64.045 63.200 -0.014 0.000 0.910 388 S HN 1.165 nan 8.310 nan 0.000 0.509 389 V N 3.081 123.096 119.914 0.169 0.000 2.370 389 V HA 0.510 4.630 4.120 -0.000 0.000 0.279 389 V C -0.623 175.617 176.094 0.243 0.000 1.029 389 V CA -0.753 61.656 62.300 0.181 0.000 0.870 389 V CB 0.712 32.593 31.823 0.096 0.000 0.984 389 V HN 0.560 nan 8.190 nan 0.000 0.451 390 F N 4.248 124.266 119.950 0.114 0.000 2.421 390 F HA 0.621 5.148 4.527 -0.000 0.000 0.337 390 F C 0.400 176.223 175.800 0.038 0.000 1.105 390 F CA 0.020 58.081 58.000 0.102 0.000 1.049 390 F CB 1.552 40.625 39.000 0.122 0.000 1.139 390 F HN 0.416 nan 8.300 nan 0.000 0.479 391 S N 4.050 119.333 115.700 -0.695 0.000 2.669 391 S HA 0.202 4.671 4.470 -0.000 0.000 0.315 391 S C -0.519 173.524 174.600 -0.928 0.000 1.106 391 S CA -0.741 57.112 58.200 -0.578 0.000 1.107 391 S CB 1.067 64.078 63.200 -0.315 0.000 0.990 391 S HN 0.779 nan 8.310 nan 0.000 0.471 392 S N 4.374 119.630 115.700 -0.741 0.000 2.596 392 S HA 0.096 4.566 4.470 -0.000 0.000 0.298 392 S C -1.252 173.108 174.600 -0.400 0.000 1.255 392 S CA -0.705 57.193 58.200 -0.503 0.000 1.083 392 S CB 0.186 63.417 63.200 0.052 0.000 0.837 392 S HN 0.482 nan 8.310 nan 0.000 0.499 393 P HA 0.265 nan 4.420 nan 0.000 0.242 393 P C 0.578 177.716 177.300 -0.270 0.000 1.197 393 P CA 0.567 63.352 63.100 -0.526 0.000 0.765 393 P CB -0.388 30.751 31.700 -0.935 0.000 0.936 394 G N -1.582 107.206 108.800 -0.021 0.000 2.337 394 G HA2 0.152 4.112 3.960 -0.000 0.000 0.298 394 G HA3 0.152 4.112 3.960 -0.000 0.000 0.298 394 G C -1.180 173.890 174.900 0.283 0.000 1.335 394 G CA -0.723 44.477 45.100 0.168 0.000 0.875 394 G HN -0.119 nan 8.290 nan 0.000 0.579 395 S N -0.657 115.147 115.700 0.173 0.000 2.566 395 S HA 0.412 4.882 4.470 -0.000 0.000 0.280 395 S C 1.618 176.270 174.600 0.086 0.000 1.343 395 S CA 1.740 60.020 58.200 0.134 0.000 1.036 395 S CB 0.924 64.170 63.200 0.078 0.000 0.866 395 S HN 2.573 nan 8.310 nan 0.000 0.526 396 G N 0.582 109.417 108.800 0.057 0.000 2.168 396 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.263 396 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.263 396 G C -0.322 174.338 174.900 -0.400 0.000 0.977 396 G CA 0.151 45.161 45.100 -0.150 0.000 0.659 396 G HN 0.630 nan 8.290 nan 0.000 0.533 397 Y N -0.295 119.999 120.300 -0.011 0.000 2.330 397 Y HA 0.626 5.176 4.550 -0.000 0.000 0.336 397 Y C 0.142 176.205 175.900 0.273 0.000 1.036 397 Y CA -1.131 57.027 58.100 0.097 0.000 1.125 397 Y CB 1.006 39.525 38.460 0.098 0.000 1.194 397 Y HN 0.138 nan 8.280 nan 0.000 0.469 398 Y N 1.683 122.253 120.300 0.452 0.000 2.326 398 Y HA 0.153 4.703 4.550 -0.000 0.000 0.337 398 Y C 0.280 176.108 175.900 -0.119 0.000 1.023 398 Y CA -1.869 56.306 58.100 0.125 0.000 1.143 398 Y CB 0.496 38.893 38.460 -0.105 0.000 1.183 398 Y HN 0.515 nan 8.280 nan 0.000 0.485 399 D N 5.890 126.033 120.400 -0.427 0.000 2.358 399 D HA 0.068 4.707 4.640 -0.000 0.000 0.258 399 D C -1.590 174.257 176.300 -0.754 0.000 1.223 399 D CA -1.781 51.486 54.000 -1.222 0.000 0.886 399 D CB 1.338 41.658 40.800 -0.800 0.000 1.120 399 D HN 0.287 nan 8.370 nan 0.000 0.482 400 P HA -0.065 nan 4.420 nan 0.000 0.233 400 P C -0.460 176.199 177.300 -1.069 0.000 1.167 400 P CA 0.300 62.576 63.100 -1.373 0.000 0.770 400 P CB 0.149 31.114 31.700 -1.224 0.000 0.837 401 E N -1.768 118.054 120.200 -0.630 0.000 2.210 401 E HA -0.197 4.153 4.350 -0.000 0.000 0.201 401 E C -0.309 176.121 176.600 -0.284 0.000 1.339 401 E CA -0.069 56.121 56.400 -0.351 0.000 0.699 401 E CB -1.863 27.654 29.700 -0.306 0.000 1.126 401 E HN 0.431 nan 8.360 nan 0.000 0.355 402 W N 0.530 121.741 121.300 -0.148 0.000 2.465 402 W HA -0.135 4.524 4.660 -0.000 0.000 0.268 402 W C 2.376 178.842 176.519 -0.089 0.000 1.242 402 W CA 1.028 58.297 57.345 -0.127 0.000 1.248 402 W CB -0.025 29.364 29.460 -0.119 0.000 1.118 402 W HN 0.298 nan 8.180 nan 0.000 0.587 403 K N 0.073 120.559 120.400 0.143 0.000 2.515 403 K HA -0.066 4.253 4.320 -0.000 0.000 0.196 403 K C 0.626 177.250 176.600 0.040 0.000 1.038 403 K CA 1.136 57.474 56.287 0.084 0.000 0.967 403 K CB -0.303 32.235 32.500 0.064 0.000 0.780 403 K HN 0.144 nan 8.250 nan 0.000 0.483 404 N N 0.933 119.640 118.700 0.013 0.000 2.184 404 N HA 0.057 4.797 4.740 -0.000 0.000 0.206 404 N C -0.523 174.984 175.510 -0.006 0.000 1.151 404 N CA 0.071 53.114 53.050 -0.011 0.000 0.878 404 N CB 0.543 39.004 38.487 -0.044 0.000 1.014 404 N HN 0.211 nan 8.380 nan 0.000 0.512 405 E N 0.422 120.639 120.200 0.028 0.000 2.319 405 E HA 0.118 4.468 4.350 -0.000 0.000 0.268 405 E C 1.012 177.643 176.600 0.051 0.000 1.050 405 E CA -0.061 56.369 56.400 0.050 0.000 0.878 405 E CB 1.418 31.203 29.700 0.142 0.000 1.066 405 E HN 0.121 nan 8.360 nan 0.000 0.406 406 S N 1.849 117.571 115.700 0.036 0.000 2.414 406 S HA -0.033 4.436 4.470 -0.000 0.000 0.227 406 S C 0.771 175.383 174.600 0.020 0.000 1.022 406 S CA 0.657 58.870 58.200 0.022 0.000 0.958 406 S CB 0.227 63.434 63.200 0.012 0.000 0.797 406 S HN 0.292 nan 8.310 nan 0.000 0.493 407 K N 1.558 121.977 120.400 0.031 0.000 2.293 407 K HA 0.423 4.742 4.320 -0.000 0.000 0.267 407 K C -1.255 175.346 176.600 0.001 0.000 1.010 407 K CA -0.415 55.874 56.287 0.004 0.000 0.875 407 K CB 0.889 33.387 32.500 -0.005 0.000 1.106 407 K HN 0.186 nan 8.250 nan 0.000 0.450 408 K N 3.841 124.206 120.400 -0.058 0.000 2.203 408 K HA 0.420 4.740 4.320 -0.000 0.000 0.251 408 K C -2.473 173.937 176.600 -0.317 0.000 0.944 408 K CA -2.131 54.073 56.287 -0.138 0.000 0.829 408 K CB 1.278 33.737 32.500 -0.069 0.000 1.125 408 K HN 0.357 nan 8.250 nan 0.000 0.430 409 P HA -0.019 nan 4.420 nan 0.000 0.268 409 P C -1.058 176.057 177.300 -0.309 0.000 1.208 409 P CA -0.318 62.389 63.100 -0.654 0.000 0.777 409 P CB 0.390 31.333 31.700 -1.262 0.000 0.875 410 N N -0.508 118.094 118.700 -0.164 0.000 2.643 410 N HA 0.147 4.886 4.740 -0.000 0.000 0.305 410 N C 0.630 176.141 175.510 0.001 0.000 1.283 410 N CA -0.575 52.436 53.050 -0.064 0.000 0.946 410 N CB -0.050 38.415 38.487 -0.037 0.000 1.149 410 N HN 0.272 nan 8.380 nan 0.000 0.600 411 E N -1.044 119.171 120.200 0.025 0.000 2.267 411 E HA -0.195 4.155 4.350 -0.000 0.000 0.197 411 E C 1.161 177.816 176.600 0.092 0.000 0.998 411 E CA 1.490 57.920 56.400 0.051 0.000 0.830 411 E CB -0.220 29.511 29.700 0.053 0.000 0.751 411 E HN 0.691 nan 8.360 nan 0.000 0.491 412 S N -0.230 115.551 115.700 0.135 0.000 2.489 412 S HA -0.124 4.346 4.470 -0.000 0.000 0.228 412 S C 0.628 175.341 174.600 0.188 0.000 0.995 412 S CA -0.176 58.168 58.200 0.241 0.000 0.934 412 S CB -0.258 63.123 63.200 0.302 0.000 0.771 412 S HN 0.295 nan 8.310 nan 0.000 0.522 413 Y N 3.378 123.665 120.300 -0.022 0.000 2.359 413 Y HA 0.496 5.046 4.550 -0.000 0.000 0.330 413 Y C 0.142 175.939 175.900 -0.172 0.000 1.143 413 Y CA -0.518 57.539 58.100 -0.070 0.000 1.318 413 Y CB 0.485 38.852 38.460 -0.156 0.000 1.234 413 Y HN 0.025 nan 8.280 nan 0.000 0.522 414 R N 4.664 124.688 120.500 -0.792 0.000 2.502 414 R HA 0.401 4.741 4.340 -0.000 0.000 0.298 414 R C -0.779 174.930 176.300 -0.985 0.000 1.018 414 R CA -0.709 54.914 56.100 -0.795 0.000 0.899 414 R CB 1.447 31.257 30.300 -0.817 0.000 1.181 414 R HN 0.951 nan 8.270 nan 0.000 0.444 415 G N 2.622 110.972 108.800 -0.749 0.000 2.372 415 G HA2 0.638 4.598 3.960 -0.000 0.000 0.323 415 G HA3 0.638 4.598 3.960 -0.000 0.000 0.323 415 G C -0.971 173.845 174.900 -0.140 0.000 1.152 415 G CA -0.278 44.656 45.100 -0.278 0.000 0.906 415 G HN 0.291 nan 8.290 nan 0.000 0.460 416 F N 0.395 120.434 119.950 0.147 0.000 2.480 416 F HA 0.488 5.015 4.527 -0.000 0.000 0.329 416 F C 0.184 176.171 175.800 0.312 0.000 1.091 416 F CA -0.668 57.466 58.000 0.224 0.000 0.972 416 F CB 2.463 41.514 39.000 0.085 0.000 1.150 416 F HN 0.374 nan 8.300 nan 0.000 0.467 417 H N -0.275 119.124 119.070 0.548 0.000 2.538 417 H HA 0.333 4.889 4.556 -0.000 0.000 0.353 417 H C -0.338 175.366 175.328 0.626 0.000 1.109 417 H CA -0.831 55.613 56.048 0.659 0.000 1.192 417 H CB 1.905 32.157 29.762 0.817 0.000 1.555 417 H HN 0.536 nan 8.280 nan 0.000 0.518 418 S N 0.948 117.058 115.700 0.683 0.000 2.558 418 S HA -0.059 4.410 4.470 -0.000 0.000 0.288 418 S C 0.734 175.530 174.600 0.328 0.000 1.318 418 S CA -0.324 58.159 58.200 0.471 0.000 1.056 418 S CB 0.282 63.590 63.200 0.179 0.000 0.853 418 S HN 0.797 nan 8.310 nan 0.000 0.505 419 D N 2.259 122.825 120.400 0.275 0.000 2.342 419 D HA 0.110 4.750 4.640 -0.000 0.000 0.221 419 D C 0.925 177.248 176.300 0.038 0.000 1.101 419 D CA 0.085 54.205 54.000 0.201 0.000 0.837 419 D CB -0.373 40.564 40.800 0.228 0.000 0.938 419 D HN 0.535 nan 8.370 nan 0.000 0.508 420 T N -3.495 111.046 114.554 -0.021 0.000 2.619 420 T HA 0.400 4.750 4.350 -0.000 0.000 0.244 420 T C 0.250 174.836 174.700 -0.191 0.000 0.893 420 T CA -0.679 61.368 62.100 -0.088 0.000 1.093 420 T CB 0.439 69.279 68.868 -0.046 0.000 1.567 420 T HN -0.032 nan 8.240 nan 0.000 0.549 421 S N -0.544 115.065 115.700 -0.152 0.000 2.573 421 S HA 0.126 4.595 4.470 -0.000 0.000 0.277 421 S C 0.239 174.773 174.600 -0.110 0.000 1.346 421 S CA -0.431 57.670 58.200 -0.165 0.000 1.034 421 S CB -0.462 62.692 63.200 -0.077 0.000 0.879 421 S HN 0.521 nan 8.310 nan 0.000 0.528 422 Y N 2.332 122.603 120.300 -0.047 0.000 2.632 422 Y HA 0.166 4.716 4.550 -0.000 0.000 0.301 422 Y C 1.471 177.342 175.900 -0.047 0.000 1.172 422 Y CA -0.064 58.031 58.100 -0.007 0.000 1.328 422 Y CB -0.703 37.843 38.460 0.143 0.000 1.016 422 Y HN 0.366 nan 8.280 nan 0.000 0.529 423 S N 0.120 115.867 115.700 0.079 0.000 2.523 423 S HA 0.308 4.778 4.470 -0.000 0.000 0.275 423 S C -0.102 174.474 174.600 -0.039 0.000 1.281 423 S CA -0.558 57.654 58.200 0.020 0.000 1.050 423 S CB 1.026 64.234 63.200 0.014 0.000 0.937 423 S HN -0.127 nan 8.310 nan 0.000 0.492 424 V N 5.268 125.151 119.914 -0.051 0.000 2.368 424 V HA 0.118 4.237 4.120 -0.000 0.000 0.266 424 V C 1.143 177.208 176.094 -0.049 0.000 1.045 424 V CA -0.281 61.975 62.300 -0.074 0.000 0.899 424 V CB 1.016 32.795 31.823 -0.073 0.000 1.006 424 V HN 0.864 nan 8.190 nan 0.000 0.470 425 V N 1.124 121.008 119.914 -0.049 0.000 3.506 425 V HA 0.210 4.330 4.120 -0.000 0.000 0.263 425 V C 0.416 176.494 176.094 -0.026 0.000 1.203 425 V CA 0.868 63.149 62.300 -0.032 0.000 1.133 425 V CB -0.352 31.454 31.823 -0.029 0.000 0.802 425 V HN 0.888 nan 8.190 nan 0.000 0.459 426 D N -1.231 119.152 120.400 -0.028 0.000 2.592 426 D HA 0.344 4.984 4.640 -0.000 0.000 0.263 426 D C 0.525 176.813 176.300 -0.020 0.000 1.132 426 D CA 0.240 54.227 54.000 -0.020 0.000 0.996 426 D CB 1.050 41.841 40.800 -0.015 0.000 1.442 426 D HN 0.074 nan 8.370 nan 0.000 0.486 427 T N -2.556 111.988 114.554 -0.016 0.000 3.324 427 T HA 0.223 4.572 4.350 -0.000 0.000 0.250 427 T C 0.483 175.174 174.700 -0.014 0.000 1.059 427 T CA -0.185 61.904 62.100 -0.018 0.000 0.951 427 T CB -1.110 67.749 68.868 -0.016 0.000 1.030 427 T HN 0.508 nan 8.240 nan 0.000 0.576 428 S N 1.233 116.928 115.700 -0.008 0.000 2.565 428 S HA 0.486 4.956 4.470 -0.000 0.000 0.274 428 S C -2.833 171.772 174.600 0.007 0.000 1.309 428 S CA -1.486 56.715 58.200 0.001 0.000 1.043 428 S CB 0.573 63.778 63.200 0.008 0.000 0.939 428 S HN 0.084 nan 8.310 nan 0.000 0.504 429 P HA 0.043 nan 4.420 nan 0.000 0.263 429 P C -0.777 176.555 177.300 0.053 0.000 1.175 429 P CA 0.242 63.352 63.100 0.017 0.000 0.761 429 P CB 0.207 31.918 31.700 0.019 0.000 0.794 430 Q N 2.105 121.945 119.800 0.066 0.000 2.360 430 Q HA 0.296 4.635 4.340 -0.000 0.000 0.254 430 Q C -0.292 175.787 176.000 0.132 0.000 0.975 430 Q CA 0.192 56.095 55.803 0.165 0.000 0.912 430 Q CB 0.525 29.362 28.738 0.165 0.000 1.212 430 Q HN 0.333 nan 8.270 nan 0.000 0.452 431 T N 1.297 115.905 114.554 0.090 0.000 2.807 431 T HA 0.463 4.813 4.350 -0.000 0.000 0.279 431 T C -0.601 174.045 174.700 -0.089 0.000 0.993 431 T CA -0.592 61.515 62.100 0.012 0.000 0.970 431 T CB 1.979 70.844 68.868 -0.004 0.000 0.950 431 T HN 0.378 nan 8.240 nan 0.000 0.441 432 V N 3.443 123.323 119.914 -0.058 0.000 2.555 432 V HA 0.887 5.007 4.120 -0.000 0.000 0.302 432 V C -0.555 175.494 176.094 -0.075 0.000 1.038 432 V CA -0.385 61.828 62.300 -0.145 0.000 0.887 432 V CB 1.666 33.437 31.823 -0.088 0.000 0.991 432 V HN 1.064 nan 8.190 nan 0.000 0.434 433 S N 5.114 120.740 115.700 -0.122 0.000 2.570 433 S HA 1.025 5.494 4.470 -0.000 0.000 0.286 433 S C -0.473 174.088 174.600 -0.065 0.000 1.099 433 S CA -0.119 58.042 58.200 -0.064 0.000 0.913 433 S CB 1.957 65.111 63.200 -0.078 0.000 1.085 433 S HN 2.167 nan 8.310 nan 0.000 0.480 434 A N 1.109 123.897 122.820 -0.054 0.000 2.536 434 A HA 0.801 5.121 4.320 -0.000 0.000 0.293 434 A C -1.716 175.668 177.584 -0.334 0.000 1.119 434 A CA -0.927 51.009 52.037 -0.168 0.000 0.654 434 A CB 0.903 19.860 19.000 -0.072 0.000 1.291 434 A HN 0.829 nan 8.150 nan 0.000 0.439 435 E N -0.482 119.356 120.200 -0.603 0.000 2.238 435 E HA 0.676 5.026 4.350 -0.000 0.000 0.267 435 E C -1.795 174.302 176.600 -0.837 0.000 0.887 435 E CA -0.243 55.844 56.400 -0.522 0.000 0.769 435 E CB 2.064 31.567 29.700 -0.329 0.000 1.187 435 E HN 0.416 nan 8.360 nan 0.000 0.416 436 F N 0.483 120.382 119.950 -0.084 0.000 2.611 436 F HA 0.371 4.898 4.527 -0.000 0.000 0.324 436 F C 0.080 175.868 175.800 -0.019 0.000 1.061 436 F CA -0.822 57.180 58.000 0.004 0.000 0.954 436 F CB 1.985 41.076 39.000 0.153 0.000 1.301 436 F HN 0.272 nan 8.300 nan 0.000 0.482 437 E N 2.031 122.365 120.200 0.222 0.000 2.191 437 E HA 0.412 4.762 4.350 -0.000 0.000 0.263 437 E C -1.227 175.416 176.600 0.073 0.000 0.881 437 E CA -0.589 55.862 56.400 0.085 0.000 0.757 437 E CB 1.214 30.942 29.700 0.047 0.000 1.147 437 E HN 0.315 nan 8.360 nan 0.000 0.414 438 I N 5.769 126.338 120.570 -0.002 0.000 2.301 438 I HA 0.238 4.408 4.170 -0.000 0.000 0.292 438 I C -2.031 174.062 176.117 -0.039 0.000 1.046 438 I CA -2.408 58.859 61.300 -0.055 0.000 1.282 438 I CB 0.006 37.915 38.000 -0.152 0.000 1.409 438 I HN 0.264 nan 8.210 nan 0.000 0.484 442 L N 3.779 124.994 121.223 -0.013 0.000 2.615 442 L HA 0.650 4.990 4.340 -0.000 0.000 0.271 442 L C 0.909 177.807 176.870 0.045 0.000 1.183 442 L CA 0.194 55.014 54.840 -0.032 0.000 0.933 442 L CB -0.300 41.675 42.059 -0.140 0.000 1.199 442 L HN 0.514 nan 8.230 nan 0.000 0.487 443 A N 7.216 130.098 122.820 0.104 0.000 2.520 443 A HA 0.355 4.674 4.320 -0.000 0.000 0.235 443 A C -2.111 175.602 177.584 0.215 0.000 1.065 443 A CA -0.908 51.211 52.037 0.137 0.000 0.764 443 A CB -0.814 18.260 19.000 0.123 0.000 1.002 443 A HN 0.707 nan 8.150 nan 0.000 0.502 444 P HA 0.341 nan 4.420 nan 0.000 0.264 444 P C 0.637 177.996 177.300 0.098 0.000 1.179 444 P CA 1.610 64.786 63.100 0.127 0.000 0.763 444 P CB 0.497 32.233 31.700 0.059 0.000 0.806 445 G N 1.179 110.019 108.800 0.065 0.000 2.350 445 G HA2 0.181 4.141 3.960 -0.000 0.000 0.282 445 G HA3 0.181 4.141 3.960 -0.000 0.000 0.282 445 G C -1.764 172.974 174.900 -0.271 0.000 1.314 445 G CA -0.805 44.183 45.100 -0.187 0.000 0.915 445 G HN 0.425 nan 8.290 nan 0.000 0.499 446 I N 0.587 120.847 120.570 -0.517 0.000 2.441 446 I HA 0.666 4.836 4.170 -0.000 0.000 0.295 446 I C -0.588 175.069 176.117 -0.767 0.000 0.994 446 I CA -0.687 60.336 61.300 -0.462 0.000 1.144 446 I CB 1.662 39.478 38.000 -0.307 0.000 1.314 446 I HN 0.540 nan 8.210 nan 0.000 0.445 453 V N -0.535 119.653 119.914 0.457 0.000 2.925 453 V HA 0.897 5.017 4.120 -0.000 0.000 0.311 453 V C -1.505 174.789 176.094 0.333 0.000 1.104 453 V CA -1.386 61.130 62.300 0.359 0.000 0.954 453 V CB 1.933 33.903 31.823 0.245 0.000 1.022 453 V HN 1.353 nan 8.190 nan 0.000 0.427 454 Y N 4.449 124.785 120.300 0.060 0.000 2.331 454 Y HA 0.798 5.348 4.550 -0.000 0.000 0.326 454 Y C -0.636 175.184 175.900 -0.133 0.000 1.020 454 Y CA -1.141 56.932 58.100 -0.045 0.000 1.136 454 Y CB 1.560 39.999 38.460 -0.035 0.000 1.157 454 Y HN 1.072 nan 8.280 nan 0.000 0.444 455 K N 3.285 123.416 120.400 -0.449 0.000 2.578 455 K HA 0.612 4.932 4.320 -0.000 0.000 0.287 455 K C -1.847 174.399 176.600 -0.589 0.000 1.010 455 K CA -0.909 54.867 56.287 -0.851 0.000 0.889 455 K CB 2.161 34.245 32.500 -0.694 0.000 1.514 455 K HN 0.347 nan 8.250 nan 0.000 0.424 456 Y N -1.533 118.473 120.300 -0.491 0.000 2.527 456 Y HA -0.243 4.307 4.550 -0.000 0.000 0.021 456 Y C 1.516 177.395 175.900 -0.035 0.000 1.725 456 Y CA -0.166 57.819 58.100 -0.192 0.000 1.405 456 Y CB -1.619 36.794 38.460 -0.078 0.000 2.052 456 Y HN 0.893 nan 8.280 nan 0.000 0.257 457 S N 0.633 116.440 115.700 0.179 0.000 2.365 457 S HA -0.196 4.273 4.470 -0.000 0.000 0.221 457 S C 0.834 175.507 174.600 0.121 0.000 1.037 457 S CA 1.559 59.844 58.200 0.141 0.000 1.060 457 S CB -0.219 63.018 63.200 0.061 0.000 0.974 457 S HN 0.567 nan 8.310 nan 0.000 0.427 458 N N 2.123 120.883 118.700 0.100 0.000 2.466 458 N HA 0.059 4.799 4.740 -0.000 0.000 0.263 458 N C -0.972 174.644 175.510 0.177 0.000 1.178 458 N CA 0.041 53.149 53.050 0.098 0.000 0.983 458 N CB 0.250 38.771 38.487 0.058 0.000 1.331 458 N HN 0.417 nan 8.380 nan 0.000 0.500 459 S N 3.370 119.173 115.700 0.172 0.000 2.481 459 S HA 0.356 4.826 4.470 -0.000 0.000 0.276 459 S C 0.270 174.993 174.600 0.204 0.000 1.247 459 S CA -0.812 57.526 58.200 0.229 0.000 1.053 459 S CB 0.498 63.883 63.200 0.307 0.000 0.925 459 S HN 0.419 nan 8.310 nan 0.000 0.491 460 L N 0.909 122.214 121.223 0.136 0.000 2.358 460 L HA 0.853 5.193 4.340 -0.000 0.000 0.268 460 L C -0.626 176.300 176.870 0.092 0.000 1.032 460 L CA -0.798 54.093 54.840 0.085 0.000 0.805 460 L CB 0.609 42.701 42.059 0.055 0.000 1.253 460 L HN 0.638 nan 8.230 nan 0.000 0.452 461 K N 0.726 121.137 120.400 0.019 0.000 2.443 461 K HA 0.686 5.005 4.320 -0.000 0.000 0.252 461 K C -1.596 175.052 176.600 0.080 0.000 0.933 461 K CA -0.592 55.660 56.287 -0.057 0.000 0.792 461 K CB 1.886 34.133 32.500 -0.422 0.000 1.185 461 K HN 0.725 nan 8.250 nan 0.000 0.425 462 D N 2.039 122.569 120.400 0.217 0.000 2.655 462 D HA 0.405 5.045 4.640 -0.000 0.000 0.229 462 D C -1.611 174.805 176.300 0.193 0.000 1.229 462 D CA -0.528 53.578 54.000 0.176 0.000 0.807 462 D CB 1.544 42.391 40.800 0.079 0.000 1.514 462 D HN 0.340 nan 8.370 nan 0.000 0.444 463 L N 1.814 123.077 121.223 0.066 0.000 2.325 463 L HA 0.607 4.946 4.340 -0.000 0.000 0.281 463 L C -0.703 176.123 176.870 -0.074 0.000 1.004 463 L CA -0.913 53.912 54.840 -0.025 0.000 0.823 463 L CB 1.937 43.938 42.059 -0.097 0.000 1.236 463 L HN 0.122 nan 8.230 nan 0.000 0.415 464 V N 1.713 121.548 119.914 -0.131 0.000 2.407 464 V HA 0.303 4.423 4.120 -0.000 0.000 0.291 464 V C 0.159 176.159 176.094 -0.157 0.000 1.018 464 V CA -0.637 61.531 62.300 -0.221 0.000 0.842 464 V CB 1.703 33.202 31.823 -0.540 0.000 0.996 464 V HN 0.753 nan 8.190 nan 0.000 0.426 465 S N 5.698 121.336 115.700 -0.104 0.000 2.525 465 S HA 0.396 4.866 4.470 -0.000 0.000 0.285 465 S C -0.037 174.541 174.600 -0.036 0.000 1.283 465 S CA 0.020 58.186 58.200 -0.058 0.000 1.072 465 S CB 0.085 63.248 63.200 -0.060 0.000 0.867 465 S HN 0.538 nan 8.310 nan 0.000 0.492 466 I N 5.840 126.422 120.570 0.021 0.000 2.371 466 I HA 0.236 4.406 4.170 -0.000 0.000 0.282 466 I C -1.812 174.348 176.117 0.073 0.000 1.031 466 I CA -2.307 59.030 61.300 0.062 0.000 1.180 466 I CB 1.773 39.840 38.000 0.111 0.000 1.336 466 I HN 0.416 nan 8.210 nan 0.000 0.467 467 P HA -0.103 nan 4.420 nan 0.000 0.228 467 P C 0.733 178.073 177.300 0.067 0.000 1.151 467 P CA 0.947 64.072 63.100 0.040 0.000 0.770 467 P CB 0.234 31.950 31.700 0.025 0.000 0.786 468 E N -1.525 118.726 120.200 0.085 0.000 2.502 468 E HA -0.033 4.317 4.350 -0.000 0.000 0.194 468 E C 1.384 178.056 176.600 0.120 0.000 1.062 468 E CA 0.872 57.326 56.400 0.090 0.000 0.867 468 E CB -0.820 28.929 29.700 0.083 0.000 0.888 468 E HN 0.322 nan 8.360 nan 0.000 0.510 469 T N -2.844 111.807 114.554 0.162 0.000 3.092 469 T HA 0.465 4.815 4.350 -0.000 0.000 0.258 469 T C 0.824 175.728 174.700 0.339 0.000 1.031 469 T CA -0.144 62.111 62.100 0.258 0.000 0.925 469 T CB 0.192 69.262 68.868 0.338 0.000 1.036 469 T HN 0.058 nan 8.240 nan 0.000 0.544 470 A N 1.924 124.862 122.820 0.196 0.000 2.498 470 A HA 0.565 4.885 4.320 -0.000 0.000 0.239 470 A C -0.127 177.591 177.584 0.222 0.000 1.068 470 A CA -0.478 51.629 52.037 0.117 0.000 0.766 470 A CB -0.457 18.556 19.000 0.022 0.000 1.003 470 A HN 0.781 nan 8.150 nan 0.000 0.497 471 F N -0.454 119.566 119.950 0.117 0.000 2.599 471 F HA 0.782 5.309 4.527 -0.000 0.000 0.311 471 F C -0.566 175.308 175.800 0.123 0.000 1.076 471 F CA -1.051 57.018 58.000 0.115 0.000 0.937 471 F CB 1.601 40.681 39.000 0.134 0.000 1.282 471 F HN 0.575 nan 8.300 nan 0.000 0.460 472 E N 2.340 122.708 120.200 0.280 0.000 2.187 472 E HA 0.447 4.797 4.350 -0.000 0.000 0.268 472 E C -1.283 175.492 176.600 0.291 0.000 0.896 472 E CA -0.957 55.551 56.400 0.180 0.000 0.766 472 E CB 1.500 31.244 29.700 0.073 0.000 1.142 472 E HN 0.588 nan 8.360 nan 0.000 0.408 473 I N 3.616 124.369 120.570 0.306 0.000 2.312 473 I HA 0.212 4.382 4.170 -0.000 0.000 0.291 473 I C 0.807 177.007 176.117 0.139 0.000 1.031 473 I CA -0.264 61.179 61.300 0.239 0.000 1.293 473 I CB 0.157 38.322 38.000 0.275 0.000 1.403 473 I HN 0.575 nan 8.210 nan 0.000 0.484 474 A N 5.550 128.428 122.820 0.097 0.000 2.492 474 A HA 0.524 4.844 4.320 -0.000 0.000 0.236 474 A C 0.768 178.380 177.584 0.046 0.000 1.078 474 A CA 0.406 52.477 52.037 0.057 0.000 0.773 474 A CB 0.029 19.055 19.000 0.044 0.000 1.023 474 A HN 0.866 nan 8.150 nan 0.000 0.504 475 G N -0.196 108.619 108.800 0.024 0.000 3.075 475 G HA2 0.699 4.658 3.960 -0.000 0.000 0.253 475 G HA3 0.699 4.658 3.960 -0.000 0.000 0.253 475 G C -2.377 172.531 174.900 0.014 0.000 1.353 475 G CA -0.928 44.182 45.100 0.018 0.000 1.051 475 G HN 0.757 nan 8.290 nan 0.000 0.553 476 P HA 0.325 nan 4.420 nan 0.000 0.274 476 P C -1.056 176.246 177.300 0.005 0.000 1.246 476 P CA -0.463 62.645 63.100 0.012 0.000 0.795 476 P CB 0.832 32.542 31.700 0.016 0.000 1.006 477 D N 0.285 120.689 120.400 0.007 0.000 2.382 477 D HA 0.170 4.810 4.640 -0.000 0.000 0.240 477 D C 0.157 176.457 176.300 0.000 0.000 1.146 477 D CA 0.037 54.038 54.000 0.003 0.000 0.897 477 D CB 0.103 40.910 40.800 0.012 0.000 1.197 477 D HN 0.118 nan 8.370 nan 0.000 0.432 478 L N 2.792 124.003 121.223 -0.020 0.000 2.397 478 L HA 0.287 4.627 4.340 -0.000 0.000 0.271 478 L C -1.680 175.226 176.870 0.060 0.000 1.148 478 L CA -1.115 53.711 54.840 -0.024 0.000 0.825 478 L CB -0.418 41.529 42.059 -0.187 0.000 1.117 478 L HN 0.274 nan 8.230 nan 0.000 0.456 479 P HA 0.315 nan 4.420 nan 0.000 0.273 479 P C -1.038 176.371 177.300 0.181 0.000 1.250 479 P CA -0.664 62.503 63.100 0.111 0.000 0.793 479 P CB 0.488 32.248 31.700 0.101 0.000 1.011 480 A N 1.072 123.947 122.820 0.091 0.000 2.388 480 A HA 0.271 4.591 4.320 -0.000 0.000 0.257 480 A C 0.197 177.724 177.584 -0.094 0.000 1.095 480 A CA -0.490 51.558 52.037 0.019 0.000 0.791 480 A CB -0.553 18.435 19.000 -0.019 0.000 1.029 480 A HN 0.554 nan 8.150 nan 0.000 0.489 481 L N 3.276 124.274 121.223 -0.376 0.000 2.525 481 L HA 0.110 4.449 4.340 -0.000 0.000 0.278 481 L C -1.429 175.297 176.870 -0.241 0.000 1.218 481 L CA -1.086 53.479 54.840 -0.458 0.000 0.878 481 L CB 0.040 41.674 42.059 -0.708 0.000 1.127 481 L HN 0.559 nan 8.230 nan 0.000 0.492 482 P HA 0.037 nan 4.420 nan 0.000 0.262 482 P C -0.156 177.090 177.300 -0.090 0.000 1.182 482 P CA 0.038 63.097 63.100 -0.068 0.000 0.761 482 P CB 0.182 31.890 31.700 0.014 0.000 0.795 483 E N 4.174 124.338 120.200 -0.061 0.000 2.568 483 E HA -0.073 4.277 4.350 -0.000 0.000 0.262 483 E C 0.752 177.327 176.600 -0.042 0.000 0.961 483 E CA 0.002 56.369 56.400 -0.054 0.000 0.945 483 E CB -0.270 29.411 29.700 -0.032 0.000 0.924 483 E HN 0.544 nan 8.360 nan 0.000 0.467 484 R N -0.140 120.334 120.500 -0.044 0.000 2.582 484 R HA 0.651 4.991 4.340 -0.000 0.000 0.271 484 R C 0.304 176.598 176.300 -0.009 0.000 1.078 484 R CA -0.116 55.970 56.100 -0.023 0.000 1.127 484 R CB 0.251 30.537 30.300 -0.022 0.000 1.038 484 R HN 0.555 nan 8.270 nan 0.000 0.500 485 K N 1.342 121.741 120.400 -0.001 0.000 2.265 485 K HA 0.612 4.932 4.320 -0.000 0.000 0.267 485 K C -0.293 176.311 176.600 0.007 0.000 0.994 485 K CA -0.067 56.221 56.287 0.001 0.000 0.860 485 K CB 0.986 33.486 32.500 -0.000 0.000 1.099 485 K HN 0.670 nan 8.250 nan 0.000 0.448 486 I N 0.406 120.980 120.570 0.007 0.000 2.474 486 I HA 0.868 5.038 4.170 -0.000 0.000 0.294 486 I C 0.702 176.825 176.117 0.011 0.000 1.005 486 I CA -1.111 60.197 61.300 0.013 0.000 1.113 486 I CB 0.496 38.504 38.000 0.012 0.000 1.289 486 I HN 1.070 nan 8.210 nan 0.000 0.436 487 K N 4.269 124.678 120.400 0.015 0.000 2.491 487 K HA 0.564 4.884 4.320 -0.000 0.000 0.279 487 K C -0.683 175.924 176.600 0.011 0.000 1.026 487 K CA 0.086 56.380 56.287 0.013 0.000 1.070 487 K CB -1.590 30.920 32.500 0.016 0.000 0.887 487 K HN 1.946 nan 8.250 nan 0.000 0.481 488 P HA 0.000 nan 4.420 nan 0.000 0.216 488 P CA 0.000 63.104 63.100 0.007 0.000 0.800 488 P CB 0.000 31.703 31.700 0.005 0.000 0.726