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 3mk0_1_A DATA FIRST_RESID 1 DATA SEQUENCE IIPVEEENPD FWNREAAEAL GAAKKLQPAQ TAAKNLIIFL GDGMGVSTVT DATA SEQUENCE AARILKGQKK DKLGPEIPLA MDRFPYVALS KTYNVDKHVP DXGATATAYL DATA SEQUENCE CGVKGNFQTI GLSAAARFNQ cNTTRGNEVI SVMNRAKKAG KSVGVVTTTR DATA SEQUENCE VQHASPAGTY AHTVNRNWYS DADVPASARQ EGcQDIATQL ISNMDIDVIL DATA SEQUENCE GGGRKYMFRM GTPDPEYPDD YSQGGTRLDG KNLVQEWLAK RQGARYVWNR DATA SEQUENCE TELMQASLDP SVTHLMGLFE PGDMKYEIHR DSTLDPSLME MTEAALRLLS DATA SEQUENCE RNPRGFFLFV EGGRIDHGHH ESRAYRALTE TIMFDDAIER AGQLTSEEDT DATA SEQUENCE LSLVTADHSH VFSFGGYPLR GSSIFGLAPG KARDRKAYTV LLYGNGPGYV DATA SEQUENCE LKDGARPDVT ESESGSPEYR QQSAVPLDEE THAGEDVAVF ARGPQAHLVH DATA SEQUENCE GVQEQTFIAH VMAFAAcLEP YTAcDLAPPA G 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 1 I HA 0.000 nan 4.170 nan 0.000 0.288 1 I C 0.000 176.119 176.117 0.004 0.000 1.063 1 I CA 0.000 61.302 61.300 0.004 0.000 1.566 1 I CB 0.000 38.001 38.000 0.001 0.000 1.214 2 I N 7.266 127.835 120.570 -0.002 0.000 2.291 2 I HA 0.406 4.575 4.170 -0.001 0.000 0.290 2 I C -1.974 174.130 176.117 -0.021 0.000 1.050 2 I CA -1.628 59.670 61.300 -0.004 0.000 1.245 2 I CB 1.129 39.128 38.000 -0.002 0.000 1.405 2 I HN 0.424 nan 8.210 nan 0.000 0.478 3 P HA 0.016 nan 4.420 nan 0.000 0.265 3 P C 1.152 178.390 177.300 -0.103 0.000 1.222 3 P CA 0.009 63.062 63.100 -0.079 0.000 0.767 3 P CB 1.173 32.801 31.700 -0.121 0.000 0.801 4 V N 4.357 124.224 119.914 -0.079 0.000 2.278 4 V HA -0.292 3.827 4.120 -0.001 0.000 0.251 4 V C 2.663 178.692 176.094 -0.108 0.000 1.062 4 V CA 2.520 64.779 62.300 -0.068 0.000 1.038 4 V CB -1.100 30.697 31.823 -0.044 0.000 0.646 4 V HN 0.657 nan 8.190 nan 0.000 0.447 5 E N 0.644 120.742 120.200 -0.169 0.000 2.160 5 E HA -0.306 4.043 4.350 -0.001 0.000 0.195 5 E C 1.727 178.045 176.600 -0.470 0.000 0.991 5 E CA 1.983 58.242 56.400 -0.236 0.000 0.810 5 E CB -0.415 29.161 29.700 -0.206 0.000 0.742 5 E HN 0.766 nan 8.360 nan 0.000 0.466 6 E N 0.551 120.404 120.200 -0.577 0.000 2.481 6 E HA -0.045 4.304 4.350 -0.001 0.000 0.195 6 E C 1.584 178.243 176.600 0.099 0.000 1.047 6 E CA 0.227 56.330 56.400 -0.494 0.000 0.867 6 E CB 0.119 29.662 29.700 -0.260 0.000 0.858 6 E HN 0.454 nan 8.360 nan 0.000 0.513 7 E N 0.907 121.117 120.200 0.017 0.000 2.347 7 E HA -0.066 4.283 4.350 -0.001 0.000 0.196 7 E C 0.551 177.218 176.600 0.112 0.000 1.008 7 E CA 0.167 56.612 56.400 0.075 0.000 0.852 7 E CB -0.069 29.646 29.700 0.025 0.000 0.783 7 E HN 0.152 nan 8.360 nan 0.000 0.505 8 N N 1.177 119.943 118.700 0.110 0.000 2.419 8 N HA 0.043 4.783 4.740 -0.001 0.000 0.264 8 N C -1.948 173.706 175.510 0.240 0.000 1.031 8 N CA -1.883 51.246 53.050 0.132 0.000 0.951 8 N CB 1.253 39.794 38.487 0.089 0.000 1.101 8 N HN -0.254 nan 8.380 nan 0.000 0.488 9 P HA -0.157 nan 4.420 nan 0.000 0.217 9 P C 0.269 177.727 177.300 0.264 0.000 1.148 9 P CA 1.121 64.395 63.100 0.290 0.000 0.828 9 P CB 0.229 32.029 31.700 0.167 0.000 0.783 10 D N -0.987 119.513 120.400 0.166 0.000 2.158 10 D HA -0.204 4.436 4.640 -0.001 0.000 0.197 10 D C 1.726 178.074 176.300 0.079 0.000 0.995 10 D CA 0.917 54.979 54.000 0.104 0.000 0.846 10 D CB -1.127 39.714 40.800 0.068 0.000 0.941 10 D HN 0.217 nan 8.370 nan 0.000 0.456 11 F N -0.077 119.821 119.950 -0.087 0.000 2.095 11 F HA -0.200 4.326 4.527 -0.001 0.000 0.298 11 F C 1.938 177.529 175.800 -0.349 0.000 1.104 11 F CA 1.563 59.391 58.000 -0.286 0.000 1.232 11 F CB -0.368 38.346 39.000 -0.477 0.000 0.987 11 F HN -0.047 nan 8.300 nan 0.000 0.475 12 W N 0.667 122.118 121.300 0.251 0.000 2.409 12 W HA -0.124 4.536 4.660 -0.001 0.000 0.299 12 W C 2.350 178.873 176.519 0.007 0.000 1.203 12 W CA 0.876 58.299 57.345 0.130 0.000 1.298 12 W CB -0.869 28.695 29.460 0.174 0.000 1.127 12 W HN -0.064 nan 8.180 nan 0.000 0.528 13 N N 0.497 119.316 118.700 0.198 0.000 2.120 13 N HA -0.123 4.616 4.740 -0.001 0.000 0.188 13 N C 1.649 177.165 175.510 0.009 0.000 1.024 13 N CA 1.339 54.448 53.050 0.098 0.000 0.852 13 N CB -0.633 37.905 38.487 0.086 0.000 1.003 13 N HN 0.242 nan 8.380 nan 0.000 0.424 14 R N 0.827 121.291 120.500 -0.060 0.000 2.081 14 R HA -0.056 4.283 4.340 -0.001 0.000 0.235 14 R C 2.010 178.216 176.300 -0.156 0.000 1.131 14 R CA 0.831 56.861 56.100 -0.117 0.000 0.960 14 R CB -0.134 30.070 30.300 -0.159 0.000 0.856 14 R HN 0.281 nan 8.270 nan 0.000 0.436 15 E N 0.913 120.967 120.200 -0.242 0.000 2.077 15 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 15 E C 1.777 178.331 176.600 -0.076 0.000 0.989 15 E CA 1.525 57.789 56.400 -0.226 0.000 0.800 15 E CB 0.020 29.522 29.700 -0.331 0.000 0.746 15 E HN 0.315 nan 8.360 nan 0.000 0.452 16 A N 1.144 123.959 122.820 -0.007 0.000 1.929 16 A HA 0.030 4.350 4.320 -0.001 0.000 0.216 16 A C 2.435 180.023 177.584 0.007 0.000 1.176 16 A CA 1.783 53.839 52.037 0.032 0.000 0.628 16 A CB -0.623 18.423 19.000 0.076 0.000 0.816 16 A HN 0.348 nan 8.150 nan 0.000 0.444 17 A N -0.416 122.400 122.820 -0.007 0.000 1.908 17 A HA -0.211 4.108 4.320 -0.001 0.000 0.218 17 A C 2.076 179.645 177.584 -0.025 0.000 1.181 17 A CA 1.849 53.878 52.037 -0.013 0.000 0.627 17 A CB -0.485 18.504 19.000 -0.019 0.000 0.818 17 A HN 0.503 nan 8.150 nan 0.000 0.445 18 E N 0.118 120.291 120.200 -0.045 0.000 2.077 18 E HA -0.153 4.196 4.350 -0.001 0.000 0.193 18 E C 2.280 178.859 176.600 -0.035 0.000 0.989 18 E CA 1.238 57.608 56.400 -0.050 0.000 0.800 18 E CB -0.320 29.333 29.700 -0.078 0.000 0.746 18 E HN 0.488 nan 8.360 nan 0.000 0.452 19 A N 1.235 124.040 122.820 -0.026 0.000 1.877 19 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 19 A C 2.448 180.029 177.584 -0.005 0.000 1.186 19 A CA 1.295 53.325 52.037 -0.010 0.000 0.620 19 A CB -0.801 18.204 19.000 0.008 0.000 0.822 19 A HN 0.281 nan 8.150 nan 0.000 0.443 20 L N -0.663 120.559 121.223 -0.000 0.000 2.042 20 L HA -0.164 4.175 4.340 -0.001 0.000 0.210 20 L C 2.857 179.725 176.870 -0.004 0.000 1.076 20 L CA 1.177 56.018 54.840 0.002 0.000 0.749 20 L CB -0.844 41.218 42.059 0.006 0.000 0.893 20 L HN 0.510 nan 8.230 nan 0.000 0.432 21 G N -0.543 108.250 108.800 -0.010 0.000 2.446 21 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.217 21 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.217 21 G C 1.751 176.642 174.900 -0.015 0.000 1.168 21 G CA 0.846 45.938 45.100 -0.013 0.000 0.771 21 G HN 0.482 nan 8.290 nan 0.000 0.551 22 A N 1.067 123.875 122.820 -0.021 0.000 1.933 22 A HA 0.281 4.601 4.320 -0.001 0.000 0.218 22 A C 2.808 180.376 177.584 -0.025 0.000 1.175 22 A CA 2.233 54.254 52.037 -0.027 0.000 0.628 22 A CB -0.734 18.245 19.000 -0.034 0.000 0.814 22 A HN 0.800 nan 8.150 nan 0.000 0.444 23 A N -0.075 122.736 122.820 -0.016 0.000 1.902 23 A HA -0.150 4.169 4.320 -0.001 0.000 0.217 23 A C 2.080 179.666 177.584 0.005 0.000 1.181 23 A CA 1.731 53.763 52.037 -0.008 0.000 0.623 23 A CB -0.414 18.589 19.000 0.005 0.000 0.818 23 A HN 0.535 nan 8.150 nan 0.000 0.443 24 K N -0.210 120.192 120.400 0.004 0.000 2.211 24 K HA -0.074 4.245 4.320 -0.001 0.000 0.203 24 K C 1.765 178.368 176.600 0.006 0.000 1.050 24 K CA 1.205 57.496 56.287 0.007 0.000 0.945 24 K CB -0.081 32.421 32.500 0.004 0.000 0.732 24 K HN 0.400 nan 8.250 nan 0.000 0.451 25 K N 0.722 121.121 120.400 -0.002 0.000 2.296 25 K HA 0.048 4.368 4.320 -0.001 0.000 0.200 25 K C 0.500 177.103 176.600 0.005 0.000 1.048 25 K CA 0.204 56.489 56.287 -0.003 0.000 0.966 25 K CB -0.016 32.477 32.500 -0.012 0.000 0.754 25 K HN 0.112 nan 8.250 nan 0.000 0.466 26 L N 2.918 124.148 121.223 0.012 0.000 2.559 26 L HA -0.077 4.262 4.340 -0.001 0.000 0.274 26 L C 0.227 177.138 176.870 0.069 0.000 1.205 26 L CA 0.514 55.382 54.840 0.046 0.000 0.907 26 L CB 0.080 42.171 42.059 0.053 0.000 1.153 26 L HN 0.123 nan 8.230 nan 0.000 0.490 27 Q N 4.255 124.096 119.800 0.069 0.000 2.389 27 Q HA 0.525 4.864 4.340 -0.001 0.000 0.277 27 Q C -2.282 173.702 176.000 -0.027 0.000 1.082 27 Q CA -1.674 54.137 55.803 0.012 0.000 0.810 27 Q CB 2.174 30.908 28.738 -0.006 0.000 1.374 27 Q HN 0.402 nan 8.270 nan 0.000 0.422 28 P HA 0.379 nan 4.420 nan 0.000 0.279 28 P C -0.947 176.243 177.300 -0.183 0.000 1.239 28 P CA -0.364 62.467 63.100 -0.448 0.000 0.789 28 P CB 0.760 31.849 31.700 -1.020 0.000 0.933 29 A N 2.749 125.538 122.820 -0.052 0.000 2.445 29 A HA 0.105 4.424 4.320 -0.001 0.000 0.242 29 A C 1.102 178.702 177.584 0.026 0.000 1.075 29 A CA -0.225 51.822 52.037 0.017 0.000 0.777 29 A CB 0.031 19.071 19.000 0.066 0.000 1.013 29 A HN 0.616 nan 8.150 nan 0.000 0.493 30 Q N 0.319 120.130 119.800 0.018 0.000 2.319 30 Q HA 0.057 4.396 4.340 -0.001 0.000 0.202 30 Q C 0.193 176.207 176.000 0.023 0.000 0.896 30 Q CA 0.709 56.528 55.803 0.027 0.000 0.942 30 Q CB 0.042 28.787 28.738 0.012 0.000 1.083 30 Q HN 0.900 nan 8.270 nan 0.000 0.510 31 T N -2.096 112.469 114.554 0.018 0.000 2.940 31 T HA 0.741 5.090 4.350 -0.001 0.000 0.288 31 T C 0.031 174.722 174.700 -0.015 0.000 1.033 31 T CA -0.768 61.331 62.100 -0.002 0.000 1.033 31 T CB 2.121 70.987 68.868 -0.003 0.000 1.079 31 T HN 0.121 nan 8.240 nan 0.000 0.496 32 A N 1.004 123.796 122.820 -0.047 0.000 2.296 32 A HA 0.746 5.065 4.320 -0.001 0.000 0.264 32 A C 0.640 178.191 177.584 -0.055 0.000 1.097 32 A CA -0.525 51.464 52.037 -0.080 0.000 0.811 32 A CB -0.409 18.528 19.000 -0.106 0.000 1.072 32 A HN 1.440 nan 8.150 nan 0.000 0.495 33 A N 0.033 122.815 122.820 -0.063 0.000 2.320 33 A HA 0.438 4.757 4.320 -0.001 0.000 0.287 33 A C 1.086 178.621 177.584 -0.082 0.000 1.181 33 A CA -0.121 51.879 52.037 -0.062 0.000 0.831 33 A CB 0.353 19.323 19.000 -0.051 0.000 1.102 33 A HN 0.965 nan 8.150 nan 0.000 0.513 34 K N 2.157 122.497 120.400 -0.100 0.000 2.076 34 K HA -0.038 4.281 4.320 -0.001 0.000 0.204 34 K C -0.066 176.409 176.600 -0.209 0.000 1.051 34 K CA 0.948 57.165 56.287 -0.116 0.000 0.949 34 K CB -0.046 32.396 32.500 -0.097 0.000 0.726 34 K HN 0.790 nan 8.250 nan 0.000 0.443 35 N N 0.617 119.121 118.700 -0.328 0.000 2.384 35 N HA 0.329 5.068 4.740 -0.001 0.000 0.301 35 N C -1.149 174.123 175.510 -0.396 0.000 1.133 35 N CA -0.453 52.215 53.050 -0.637 0.000 0.853 35 N CB 1.942 39.703 38.487 -1.209 0.000 1.241 35 N HN 0.021 nan 8.380 nan 0.000 0.502 36 L N 1.784 122.777 121.223 -0.382 0.000 2.381 36 L HA 0.600 4.939 4.340 -0.001 0.000 0.274 36 L C -0.624 176.011 176.870 -0.392 0.000 0.988 36 L CA -0.568 54.117 54.840 -0.258 0.000 0.824 36 L CB 1.796 43.795 42.059 -0.101 0.000 1.263 36 L HN 0.332 nan 8.230 nan 0.000 0.410 37 I N 4.364 124.747 120.570 -0.312 0.000 2.466 37 I HA 0.452 4.621 4.170 -0.001 0.000 0.289 37 I C -0.727 175.133 176.117 -0.429 0.000 1.026 37 I CA -0.496 60.542 61.300 -0.436 0.000 1.078 37 I CB 2.731 40.494 38.000 -0.395 0.000 1.249 37 I HN 0.507 nan 8.210 nan 0.000 0.429 38 I N 6.086 126.362 120.570 -0.491 0.000 2.339 38 I HA 0.427 4.596 4.170 -0.001 0.000 0.290 38 I C -1.256 174.626 176.117 -0.392 0.000 0.994 38 I CA -0.390 60.766 61.300 -0.239 0.000 1.191 38 I CB 0.798 38.825 38.000 0.045 0.000 1.343 38 I HN 0.339 nan 8.210 nan 0.000 0.458 39 F N 8.033 127.975 119.950 -0.013 0.000 2.385 39 F HA 0.371 4.898 4.527 -0.001 0.000 0.360 39 F C -0.245 175.651 175.800 0.160 0.000 1.122 39 F CA -0.661 57.371 58.000 0.053 0.000 1.090 39 F CB 1.194 40.147 39.000 -0.078 0.000 1.150 39 F HN 0.239 nan 8.300 nan 0.000 0.472 40 L N 4.045 125.328 121.223 0.100 0.000 2.294 40 L HA 0.561 4.900 4.340 -0.001 0.000 0.283 40 L C -0.012 176.538 176.870 -0.532 0.000 1.015 40 L CA -0.155 54.579 54.840 -0.176 0.000 0.831 40 L CB 0.876 42.773 42.059 -0.271 0.000 1.217 40 L HN 0.696 nan 8.230 nan 0.000 0.420 41 G N 4.078 112.457 108.800 -0.701 0.000 2.393 41 G HA2 0.086 4.045 3.960 -0.001 0.000 0.311 41 G HA3 0.086 4.045 3.960 -0.001 0.000 0.311 41 G C -0.200 174.393 174.900 -0.511 0.000 1.067 41 G CA -0.386 44.065 45.100 -1.081 0.000 1.000 41 G HN 0.675 nan 8.290 nan 0.000 0.422 42 D N 2.158 122.308 120.400 -0.417 0.000 2.358 42 D HA 0.331 4.971 4.640 -0.001 0.000 0.258 42 D C 1.425 177.606 176.300 -0.198 0.000 1.223 42 D CA 1.253 55.103 54.000 -0.251 0.000 0.886 42 D CB 0.810 41.553 40.800 -0.096 0.000 1.120 42 D HN 0.737 nan 8.370 nan 0.000 0.482 43 G N 4.189 112.783 108.800 -0.343 0.000 2.176 43 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.253 43 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.253 43 G C 0.690 175.676 174.900 0.143 0.000 0.979 43 G CA 0.266 45.360 45.100 -0.010 0.000 0.641 43 G HN 0.563 nan 8.290 nan 0.000 0.530 44 M N 2.382 121.958 119.600 -0.040 0.000 3.422 44 M HA 0.440 4.919 4.480 -0.001 0.000 0.248 44 M C 1.145 177.491 176.300 0.076 0.000 1.433 44 M CA 0.512 55.826 55.300 0.023 0.000 1.592 44 M CB -0.727 31.834 32.600 -0.064 0.000 1.078 44 M HN 0.288 nan 8.290 nan 0.000 0.578 45 G N 1.080 109.959 108.800 0.132 0.000 2.611 45 G HA2 0.262 4.221 3.960 -0.001 0.000 0.273 45 G HA3 0.262 4.221 3.960 -0.001 0.000 0.273 45 G C 0.764 175.758 174.900 0.156 0.000 1.305 45 G CA -0.733 44.445 45.100 0.131 0.000 1.010 45 G HN 0.418 nan 8.290 nan 0.000 0.509 46 V N 0.702 120.696 119.914 0.134 0.000 2.343 46 V HA -0.207 3.912 4.120 -0.001 0.000 0.247 46 V C 3.215 179.409 176.094 0.167 0.000 1.051 46 V CA 2.629 65.009 62.300 0.134 0.000 1.036 46 V CB -0.608 31.268 31.823 0.089 0.000 0.654 46 V HN 0.845 nan 8.190 nan 0.000 0.451 47 S N -0.822 114.995 115.700 0.194 0.000 2.428 47 S HA -0.180 4.290 4.470 -0.001 0.000 0.230 47 S C 1.884 176.724 174.600 0.400 0.000 1.014 47 S CA 1.638 59.980 58.200 0.237 0.000 0.957 47 S CB -0.606 62.687 63.200 0.154 0.000 0.784 47 S HN 0.573 nan 8.310 nan 0.000 0.499 48 T N 2.443 117.239 114.554 0.402 0.000 2.737 48 T HA 0.009 4.358 4.350 -0.001 0.000 0.265 48 T C 1.928 176.731 174.700 0.173 0.000 1.038 48 T CA 1.317 63.601 62.100 0.307 0.000 1.144 48 T CB -0.599 68.407 68.868 0.231 0.000 0.866 48 T HN 0.273 nan 8.240 nan 0.000 0.434 49 V N 1.831 121.839 119.914 0.158 0.000 2.252 49 V HA -0.233 3.886 4.120 -0.001 0.000 0.249 49 V C 2.813 178.954 176.094 0.079 0.000 1.056 49 V CA 2.274 64.642 62.300 0.114 0.000 1.022 49 V CB -1.256 30.673 31.823 0.176 0.000 0.641 49 V HN 0.538 nan 8.190 nan 0.000 0.445 50 T N 0.276 114.894 114.554 0.106 0.000 2.708 50 T HA -0.161 4.188 4.350 -0.001 0.000 0.266 50 T C 2.058 176.734 174.700 -0.040 0.000 1.037 50 T CA 1.632 63.774 62.100 0.070 0.000 1.146 50 T CB -0.511 68.439 68.868 0.137 0.000 0.865 50 T HN 0.578 nan 8.240 nan 0.000 0.435 51 A N 1.619 124.402 122.820 -0.062 0.000 1.883 51 A HA 0.094 4.413 4.320 -0.001 0.000 0.217 51 A C 2.678 180.149 177.584 -0.190 0.000 1.186 51 A CA 1.971 53.866 52.037 -0.238 0.000 0.624 51 A CB -1.217 17.785 19.000 0.003 0.000 0.822 51 A HN 0.517 nan 8.150 nan 0.000 0.444 52 A N -0.405 122.364 122.820 -0.085 0.000 1.940 52 A HA -0.198 4.121 4.320 -0.001 0.000 0.219 52 A C 2.256 179.782 177.584 -0.098 0.000 1.176 52 A CA 1.833 53.814 52.037 -0.094 0.000 0.631 52 A CB -0.540 18.427 19.000 -0.055 0.000 0.814 52 A HN 0.583 nan 8.150 nan 0.000 0.446 53 R N -0.222 120.233 120.500 -0.075 0.000 2.083 53 R HA -0.129 4.210 4.340 -0.001 0.000 0.237 53 R C 1.981 178.234 176.300 -0.078 0.000 1.137 53 R CA 1.956 58.018 56.100 -0.063 0.000 0.951 53 R CB -0.444 29.841 30.300 -0.025 0.000 0.851 53 R HN 0.546 nan 8.270 nan 0.000 0.434 54 I N 0.856 121.357 120.570 -0.115 0.000 2.163 54 I HA -0.310 3.859 4.170 -0.001 0.000 0.243 54 I C 2.408 178.438 176.117 -0.144 0.000 1.085 54 I CA 0.857 62.078 61.300 -0.132 0.000 1.347 54 I CB -0.331 37.542 38.000 -0.213 0.000 1.044 54 I HN 0.255 nan 8.210 nan 0.000 0.408 55 L N 1.171 122.276 121.223 -0.196 0.000 2.012 55 L HA -0.248 4.091 4.340 -0.001 0.000 0.210 55 L C 2.465 179.276 176.870 -0.098 0.000 1.073 55 L CA 1.978 56.714 54.840 -0.173 0.000 0.748 55 L CB -0.697 41.236 42.059 -0.210 0.000 0.891 55 L HN 0.109 nan 8.230 nan 0.000 0.431 56 K N -1.078 119.268 120.400 -0.090 0.000 2.097 56 K HA -0.107 4.212 4.320 -0.001 0.000 0.205 56 K C 1.997 178.566 176.600 -0.052 0.000 1.050 56 K CA 1.233 57.479 56.287 -0.068 0.000 0.938 56 K CB -0.579 31.877 32.500 -0.073 0.000 0.718 56 K HN 0.493 nan 8.250 nan 0.000 0.442 57 G N 0.687 109.457 108.800 -0.050 0.000 2.440 57 G HA2 -0.285 3.675 3.960 -0.001 0.000 0.218 57 G HA3 -0.285 3.675 3.960 -0.001 0.000 0.218 57 G C 1.273 176.158 174.900 -0.026 0.000 1.154 57 G CA 0.731 45.812 45.100 -0.032 0.000 0.767 57 G HN 0.417 nan 8.290 nan 0.000 0.552 58 Q N -0.128 119.652 119.800 -0.033 0.000 2.230 58 Q HA 0.058 4.397 4.340 -0.001 0.000 0.202 58 Q C 2.510 178.503 176.000 -0.011 0.000 0.963 58 Q CA 0.650 56.441 55.803 -0.020 0.000 0.866 58 Q CB -0.031 28.692 28.738 -0.024 0.000 0.931 58 Q HN 0.415 nan 8.270 nan 0.000 0.452 59 K N 0.800 121.190 120.400 -0.018 0.000 2.103 59 K HA -0.165 4.154 4.320 -0.001 0.000 0.207 59 K C 1.499 178.092 176.600 -0.010 0.000 1.048 59 K CA 0.991 57.271 56.287 -0.011 0.000 0.930 59 K CB 0.030 32.516 32.500 -0.023 0.000 0.716 59 K HN -0.161 nan 8.250 nan 0.000 0.444 60 K N 1.390 121.780 120.400 -0.016 0.000 2.596 60 K HA -0.034 4.286 4.320 -0.001 0.000 0.211 60 K C -0.841 175.754 176.600 -0.009 0.000 1.046 60 K CA 0.206 56.484 56.287 -0.014 0.000 1.202 60 K CB -0.297 32.191 32.500 -0.020 0.000 0.925 60 K HN 0.040 nan 8.250 nan 0.000 0.486 61 D N 0.247 120.644 120.400 -0.006 0.000 2.772 61 D HA -0.188 4.452 4.640 -0.001 0.000 0.233 61 D C -0.787 175.511 176.300 -0.003 0.000 1.143 61 D CA 0.931 54.929 54.000 -0.003 0.000 0.700 61 D CB -0.272 40.526 40.800 -0.002 0.000 1.076 61 D HN 0.255 nan 8.370 nan 0.000 0.430 62 K N -0.562 119.835 120.400 -0.004 0.000 2.303 62 K HA 0.441 4.760 4.320 -0.001 0.000 0.233 62 K C 1.608 178.208 176.600 0.000 0.000 1.046 62 K CA -0.886 55.401 56.287 -0.001 0.000 0.895 62 K CB 0.144 32.644 32.500 0.000 0.000 1.220 62 K HN -0.017 nan 8.250 nan 0.000 0.470 63 L N 0.299 121.525 121.223 0.006 0.000 2.217 63 L HA -0.070 4.269 4.340 -0.001 0.000 0.211 63 L C 1.435 178.311 176.870 0.009 0.000 1.107 63 L CA 1.519 56.366 54.840 0.010 0.000 0.783 63 L CB -0.306 41.764 42.059 0.019 0.000 0.919 63 L HN 1.082 nan 8.230 nan 0.000 0.442 64 G N -0.753 108.052 108.800 0.008 0.000 1.929 64 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.219 64 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.219 64 G C -1.828 173.080 174.900 0.014 0.000 2.200 64 G CA 0.123 45.219 45.100 -0.006 0.000 1.552 64 G HN 0.052 nan 8.290 nan 0.000 0.498 65 P HA 0.039 nan 4.420 nan 0.000 0.226 65 P C 1.312 178.667 177.300 0.091 0.000 1.153 65 P CA 1.803 64.945 63.100 0.070 0.000 0.777 65 P CB -0.010 31.754 31.700 0.107 0.000 0.794 66 E N 0.153 120.413 120.200 0.099 0.000 2.435 66 E HA -0.027 4.322 4.350 -0.001 0.000 0.195 66 E C 0.776 177.422 176.600 0.077 0.000 1.029 66 E CA -0.184 56.289 56.400 0.123 0.000 0.865 66 E CB -0.560 29.229 29.700 0.149 0.000 0.833 66 E HN 0.315 nan 8.360 nan 0.000 0.510 67 I N 2.851 123.447 120.570 0.044 0.000 2.312 67 I HA 0.232 4.401 4.170 -0.001 0.000 0.291 67 I C -2.452 173.668 176.117 0.005 0.000 1.031 67 I CA -2.675 58.635 61.300 0.017 0.000 1.293 67 I CB 1.207 39.207 38.000 0.001 0.000 1.403 67 I HN -0.226 nan 8.210 nan 0.000 0.484 68 P HA 0.131 nan 4.420 nan 0.000 0.268 68 P C -0.531 176.742 177.300 -0.046 0.000 1.204 68 P CA -0.047 63.045 63.100 -0.013 0.000 0.768 68 P CB 0.537 32.231 31.700 -0.009 0.000 0.842 69 L N 1.975 123.155 121.223 -0.072 0.000 2.473 69 L HA 0.088 4.427 4.340 -0.001 0.000 0.268 69 L C 1.919 178.705 176.870 -0.140 0.000 1.215 69 L CA -0.154 54.610 54.840 -0.125 0.000 0.823 69 L CB 0.018 41.971 42.059 -0.176 0.000 1.099 69 L HN 0.441 nan 8.230 nan 0.000 0.483 70 A N 2.950 125.669 122.820 -0.168 0.000 1.917 70 A HA -0.244 4.076 4.320 -0.001 0.000 0.219 70 A C 2.087 179.588 177.584 -0.138 0.000 1.182 70 A CA 2.286 54.240 52.037 -0.139 0.000 0.633 70 A CB -0.668 18.225 19.000 -0.178 0.000 0.819 70 A HN 0.911 nan 8.150 nan 0.000 0.448 71 M N -1.559 117.784 119.600 -0.428 0.000 2.279 71 M HA -0.111 4.369 4.480 -0.001 0.000 0.264 71 M C 0.747 176.678 176.300 -0.614 0.000 1.062 71 M CA 2.198 56.982 55.300 -0.860 0.000 1.099 71 M CB -0.803 30.997 32.600 -1.333 0.000 1.394 71 M HN 0.093 nan 8.290 nan 0.000 0.426 72 D N 1.481 121.696 120.400 -0.309 0.000 2.264 72 D HA -0.053 4.587 4.640 -0.001 0.000 0.208 72 D C 1.887 178.231 176.300 0.073 0.000 0.966 72 D CA 0.923 54.887 54.000 -0.060 0.000 0.864 72 D CB -0.198 40.589 40.800 -0.022 0.000 0.933 72 D HN 0.566 nan 8.370 nan 0.000 0.499 73 R N -0.400 120.156 120.500 0.093 0.000 2.299 73 R HA 0.055 4.394 4.340 -0.001 0.000 0.197 73 R C 0.209 176.601 176.300 0.153 0.000 0.971 73 R CA -0.197 55.960 56.100 0.094 0.000 1.030 73 R CB 0.026 30.345 30.300 0.031 0.000 0.932 73 R HN 0.047 nan 8.270 nan 0.000 0.477 74 F N 2.712 122.646 119.950 -0.027 0.000 2.578 74 F HA 0.064 4.590 4.527 -0.001 0.000 0.376 74 F C -0.922 174.892 175.800 0.023 0.000 1.085 74 F CA -2.158 55.865 58.000 0.038 0.000 1.260 74 F CB 0.469 39.555 39.000 0.145 0.000 1.095 74 F HN -0.096 nan 8.300 nan 0.000 0.573 75 P HA -0.132 nan 4.420 nan 0.000 0.220 75 P C -0.558 176.530 177.300 -0.353 0.000 1.152 75 P CA 1.376 64.295 63.100 -0.302 0.000 0.812 75 P CB 0.183 31.486 31.700 -0.661 0.000 0.792 76 Y N -0.652 119.784 120.300 0.227 0.000 2.335 76 Y HA 0.452 5.001 4.550 -0.001 0.000 0.338 76 Y C 0.271 176.278 175.900 0.177 0.000 0.977 76 Y CA -1.084 57.130 58.100 0.191 0.000 1.114 76 Y CB 1.813 40.389 38.460 0.194 0.000 1.182 76 Y HN -0.364 nan 8.280 nan 0.000 0.463 77 V N 2.747 122.802 119.914 0.234 0.000 2.735 77 V HA 0.937 5.056 4.120 -0.001 0.000 0.310 77 V C -0.492 175.609 176.094 0.012 0.000 1.061 77 V CA -0.817 61.504 62.300 0.034 0.000 0.913 77 V CB 1.743 33.532 31.823 -0.058 0.000 1.005 77 V HN 0.891 nan 8.190 nan 0.000 0.428 78 A N 4.184 126.958 122.820 -0.077 0.000 2.527 78 A HA 0.925 5.244 4.320 -0.001 0.000 0.293 78 A C -1.401 176.103 177.584 -0.133 0.000 1.117 78 A CA -0.676 51.301 52.037 -0.100 0.000 0.723 78 A CB 1.515 20.449 19.000 -0.111 0.000 1.313 78 A HN 0.731 nan 8.150 nan 0.000 0.411 79 L N 1.106 122.256 121.223 -0.121 0.000 2.307 79 L HA 0.590 4.929 4.340 -0.001 0.000 0.282 79 L C 0.510 177.335 176.870 -0.076 0.000 1.051 79 L CA -0.421 54.363 54.840 -0.093 0.000 0.804 79 L CB 1.828 43.845 42.059 -0.069 0.000 1.197 79 L HN 0.650 nan 8.230 nan 0.000 0.431 80 S N 2.914 118.592 115.700 -0.037 0.000 2.449 80 S HA 0.384 4.853 4.470 -0.001 0.000 0.310 80 S C -0.536 174.083 174.600 0.031 0.000 1.096 80 S CA -0.856 57.346 58.200 0.003 0.000 1.095 80 S CB 0.641 63.858 63.200 0.029 0.000 1.007 80 S HN 0.458 nan 8.310 nan 0.000 0.474 81 K N 3.276 123.703 120.400 0.045 0.000 2.285 81 K HA 0.209 4.528 4.320 -0.001 0.000 0.286 81 K C 0.987 177.625 176.600 0.062 0.000 1.072 81 K CA -0.252 56.094 56.287 0.098 0.000 0.913 81 K CB 0.840 33.439 32.500 0.166 0.000 1.067 81 K HN 0.775 nan 8.250 nan 0.000 0.479 82 T N -1.197 113.425 114.554 0.112 0.000 3.069 82 T HA -0.014 4.335 4.350 -0.001 0.000 0.252 82 T C 0.635 175.387 174.700 0.088 0.000 1.053 82 T CA -0.401 61.755 62.100 0.094 0.000 0.964 82 T CB -0.443 68.518 68.868 0.154 0.000 1.005 82 T HN 0.508 nan 8.240 nan 0.000 0.532 83 Y N 2.403 122.774 120.300 0.118 0.000 2.904 83 Y HA 0.258 4.807 4.550 -0.002 0.000 0.336 83 Y C 0.086 176.070 175.900 0.141 0.000 1.263 83 Y CA -1.635 56.547 58.100 0.138 0.000 1.547 83 Y CB -0.661 37.878 38.460 0.132 0.000 1.272 83 Y HN 0.059 nan 8.280 nan 0.000 0.596 84 N N 1.973 120.812 118.700 0.232 0.000 2.381 84 N HA 0.175 4.914 4.740 -0.001 0.000 0.254 84 N C 0.749 176.416 175.510 0.263 0.000 1.264 84 N CA -0.479 52.671 53.050 0.166 0.000 0.942 84 N CB 1.134 39.754 38.487 0.221 0.000 1.190 84 N HN 0.552 nan 8.380 nan 0.000 0.495 85 V N 0.552 120.572 119.914 0.177 0.000 2.392 85 V HA -0.232 3.887 4.120 -0.001 0.000 0.249 85 V C 1.596 177.791 176.094 0.168 0.000 1.059 85 V CA 1.953 64.374 62.300 0.202 0.000 1.051 85 V CB -0.617 31.279 31.823 0.123 0.000 0.658 85 V HN 0.828 nan 8.190 nan 0.000 0.455 86 D N -1.146 119.323 120.400 0.115 0.000 2.367 86 D HA 0.032 4.671 4.640 -0.001 0.000 0.207 86 D C 0.661 176.932 176.300 -0.049 0.000 1.034 86 D CA 0.285 54.304 54.000 0.031 0.000 0.861 86 D CB 0.252 41.064 40.800 0.020 0.000 0.943 86 D HN 0.377 nan 8.370 nan 0.000 0.515 87 K N -0.506 119.896 120.400 0.004 0.000 2.501 87 K HA 0.282 4.601 4.320 -0.001 0.000 0.252 87 K C -0.062 176.605 176.600 0.111 0.000 0.934 87 K CA -0.654 55.576 56.287 -0.096 0.000 0.797 87 K CB 2.011 34.333 32.500 -0.297 0.000 1.270 87 K HN -0.073 nan 8.250 nan 0.000 0.431 88 H N -0.132 118.954 119.070 0.027 0.000 2.389 88 H HA -0.017 4.538 4.556 -0.001 0.000 0.299 88 H C 0.397 175.795 175.328 0.116 0.000 1.081 88 H CA 0.550 56.644 56.048 0.076 0.000 1.345 88 H CB 0.519 30.287 29.762 0.010 0.000 1.393 88 H HN 0.033 nan 8.280 nan 0.000 0.520 89 V N 4.252 124.283 119.914 0.197 0.000 2.333 89 V HA 0.178 4.297 4.120 -0.001 0.000 0.274 89 V C -1.895 174.344 176.094 0.242 0.000 1.028 89 V CA -1.592 60.814 62.300 0.176 0.000 0.851 89 V CB 1.453 33.347 31.823 0.118 0.000 1.000 89 V HN 0.150 nan 8.190 nan 0.000 0.456 90 P HA 0.385 nan 4.420 nan 0.000 0.281 90 P C -1.129 176.368 177.300 0.328 0.000 1.281 90 P CA -0.336 62.983 63.100 0.365 0.000 0.811 90 P CB 1.500 33.343 31.700 0.238 0.000 1.154 94 A N 1.069 123.820 122.820 -0.114 0.000 2.016 94 A HA 0.204 4.523 4.320 -0.001 0.000 0.217 94 A C 2.533 180.091 177.584 -0.043 0.000 1.162 94 A CA 2.877 54.874 52.037 -0.067 0.000 0.662 94 A CB -0.957 18.035 19.000 -0.014 0.000 0.812 94 A HN 0.998 nan 8.150 nan 0.000 0.450 95 T N -1.932 112.631 114.554 0.015 0.000 2.777 95 T HA 0.042 4.391 4.350 -0.001 0.000 0.266 95 T C 2.006 176.588 174.700 -0.196 0.000 1.040 95 T CA 1.491 63.642 62.100 0.085 0.000 1.141 95 T CB -0.682 68.366 68.868 0.301 0.000 0.868 95 T HN 0.532 nan 8.240 nan 0.000 0.444 96 A N 2.041 124.639 122.820 -0.370 0.000 1.892 96 A HA -0.145 4.174 4.320 -0.001 0.000 0.218 96 A C 2.644 179.837 177.584 -0.651 0.000 1.188 96 A CA 2.529 54.022 52.037 -0.906 0.000 0.631 96 A CB -1.750 17.005 19.000 -0.408 0.000 0.822 96 A HN 0.585 nan 8.150 nan 0.000 0.447 97 T N 0.319 114.674 114.554 -0.332 0.000 2.699 97 T HA -0.089 4.261 4.350 -0.001 0.000 0.268 97 T C 2.177 176.782 174.700 -0.159 0.000 1.036 97 T CA 1.855 63.834 62.100 -0.202 0.000 1.147 97 T CB -0.529 68.271 68.868 -0.113 0.000 0.862 97 T HN 0.658 nan 8.240 nan 0.000 0.446 98 A N 1.654 124.394 122.820 -0.134 0.000 1.841 98 A HA -0.065 4.254 4.320 -0.001 0.000 0.214 98 A C 2.170 179.777 177.584 0.039 0.000 1.195 98 A CA 1.776 53.803 52.037 -0.017 0.000 0.611 98 A CB -1.036 17.983 19.000 0.030 0.000 0.835 98 A HN 0.773 nan 8.150 nan 0.000 0.443 99 Y N -1.352 119.003 120.300 0.092 0.000 2.544 99 Y HA 0.394 4.943 4.550 -0.001 0.000 0.286 99 Y C 1.369 177.353 175.900 0.140 0.000 1.141 99 Y CA 0.529 58.706 58.100 0.129 0.000 1.299 99 Y CB -0.396 38.152 38.460 0.146 0.000 1.030 99 Y HN 0.129 nan 8.280 nan 0.000 0.543 100 L N -1.539 119.619 121.223 -0.109 0.000 2.500 100 L HA 0.120 4.459 4.340 -0.001 0.000 0.219 100 L C 1.253 178.083 176.870 -0.068 0.000 1.057 100 L CA 0.280 55.106 54.840 -0.023 0.000 0.854 100 L CB 0.113 42.086 42.059 -0.143 0.000 1.078 100 L HN 0.240 nan 8.230 nan 0.000 0.480 101 C N -0.511 118.730 119.300 -0.098 0.000 3.230 101 C HA 0.474 4.934 4.460 -0.001 0.000 0.300 101 C C 1.616 176.561 174.990 -0.075 0.000 1.292 101 C CA 0.015 58.982 59.018 -0.085 0.000 1.707 101 C CB 0.010 27.709 27.740 -0.068 0.000 2.181 101 C HN 0.718 nan 8.230 nan 0.000 0.655 102 G N 1.161 109.950 108.800 -0.020 0.000 2.137 102 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.237 102 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.237 102 G C -0.214 174.816 174.900 0.216 0.000 1.002 102 G CA 0.470 45.624 45.100 0.090 0.000 0.702 102 G HN 0.496 nan 8.290 nan 0.000 0.515 103 V N 0.263 120.233 119.914 0.094 0.000 2.760 103 V HA 0.461 4.580 4.120 -0.001 0.000 0.309 103 V C 0.307 176.418 176.094 0.029 0.000 1.077 103 V CA -1.321 61.024 62.300 0.075 0.000 0.910 103 V CB 2.004 33.857 31.823 0.050 0.000 1.008 103 V HN 0.283 nan 8.190 nan 0.000 0.424 104 K N 2.085 122.497 120.400 0.020 0.000 2.185 104 K HA 0.657 4.976 4.320 -0.001 0.000 0.271 104 K C 0.320 176.926 176.600 0.009 0.000 1.013 104 K CA -0.033 56.248 56.287 -0.010 0.000 0.943 104 K CB 1.662 34.130 32.500 -0.053 0.000 0.998 104 K HN 0.914 nan 8.250 nan 0.000 0.468 105 G N 1.185 109.990 108.800 0.008 0.000 3.105 105 G HA2 0.255 4.214 3.960 -0.001 0.000 0.277 105 G HA3 0.255 4.214 3.960 -0.001 0.000 0.277 105 G C -1.027 173.902 174.900 0.048 0.000 1.375 105 G CA -0.677 44.436 45.100 0.021 0.000 0.962 105 G HN 0.469 nan 8.290 nan 0.000 0.541 106 N N -0.149 118.585 118.700 0.057 0.000 2.479 106 N HA 0.249 4.988 4.740 -0.001 0.000 0.285 106 N C -0.357 175.220 175.510 0.110 0.000 1.075 106 N CA -0.416 52.692 53.050 0.097 0.000 0.967 106 N CB 1.663 40.206 38.487 0.093 0.000 1.137 106 N HN 0.385 nan 8.380 nan 0.000 0.472 107 F N 2.173 122.091 119.950 -0.053 0.000 2.369 107 F HA -0.284 4.241 4.527 -0.002 0.000 0.425 107 F C 1.438 177.123 175.800 -0.191 0.000 0.929 107 F CA 1.356 59.287 58.000 -0.115 0.000 1.127 107 F CB 0.126 39.036 39.000 -0.149 0.000 0.883 107 F HN 0.620 nan 8.300 nan 0.000 0.528 108 Q N 0.624 120.130 119.800 -0.492 0.000 2.342 108 Q HA -0.248 4.091 4.340 -0.001 0.000 0.196 108 Q C 0.354 176.276 176.000 -0.129 0.000 0.629 108 Q CA 1.129 56.667 55.803 -0.442 0.000 1.365 108 Q CB -1.748 26.543 28.738 -0.745 0.000 1.406 108 Q HN 0.829 nan 8.270 nan 0.000 0.840 109 T N -1.563 112.949 114.554 -0.071 0.000 2.927 109 T HA 0.792 5.142 4.350 -0.001 0.000 0.281 109 T C 0.145 174.774 174.700 -0.119 0.000 0.998 109 T CA -0.742 61.318 62.100 -0.067 0.000 1.019 109 T CB 1.647 70.505 68.868 -0.015 0.000 1.061 109 T HN 0.229 nan 8.240 nan 0.000 0.518 110 I N 0.427 120.919 120.570 -0.130 0.000 2.569 110 I HA 0.536 4.706 4.170 -0.001 0.000 0.290 110 I C 1.014 177.058 176.117 -0.121 0.000 1.088 110 I CA -0.881 60.322 61.300 -0.162 0.000 1.047 110 I CB 1.948 39.810 38.000 -0.230 0.000 1.237 110 I HN 1.061 nan 8.210 nan 0.000 0.421 111 G N 5.167 113.899 108.800 -0.114 0.000 2.225 111 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.267 111 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.267 111 G C -0.388 174.601 174.900 0.147 0.000 1.024 111 G CA 0.189 45.289 45.100 0.000 0.000 0.784 111 G HN 0.459 nan 8.290 nan 0.000 0.507 112 L N 0.368 121.612 121.223 0.035 0.000 2.401 112 L HA 0.636 4.976 4.340 -0.001 0.000 0.266 112 L C 1.017 177.890 176.870 0.006 0.000 0.991 112 L CA -0.605 54.248 54.840 0.022 0.000 0.818 112 L CB 2.086 44.152 42.059 0.011 0.000 1.321 112 L HN 0.326 nan 8.230 nan 0.000 0.413 113 S N 1.143 116.844 115.700 0.003 0.000 2.596 113 S HA 0.283 4.752 4.470 -0.001 0.000 0.260 113 S C 0.995 175.605 174.600 0.016 0.000 1.336 113 S CA 0.082 58.287 58.200 0.009 0.000 0.993 113 S CB 1.265 64.469 63.200 0.007 0.000 0.923 113 S HN 0.733 nan 8.310 nan 0.000 0.567 114 A N 0.316 123.152 122.820 0.026 0.000 2.252 114 A HA 0.488 4.807 4.320 -0.001 0.000 0.207 114 A C 1.959 179.562 177.584 0.031 0.000 1.194 114 A CA 0.598 52.656 52.037 0.035 0.000 0.809 114 A CB -1.296 17.732 19.000 0.048 0.000 0.814 114 A HN 1.214 nan 8.150 nan 0.000 0.482 115 A N -0.250 122.582 122.820 0.022 0.000 2.067 115 A HA 0.518 4.837 4.320 -0.001 0.000 0.217 115 A C 1.501 179.094 177.584 0.015 0.000 1.156 115 A CA 0.813 52.860 52.037 0.017 0.000 0.683 115 A CB -0.533 18.473 19.000 0.010 0.000 0.808 115 A HN 0.878 nan 8.150 nan 0.000 0.455 116 A N 0.137 122.966 122.820 0.014 0.000 2.346 116 A HA 0.576 4.895 4.320 -0.001 0.000 0.252 116 A C 0.292 177.892 177.584 0.026 0.000 1.089 116 A CA -0.236 51.809 52.037 0.012 0.000 0.797 116 A CB 0.276 19.279 19.000 0.004 0.000 1.047 116 A HN 0.327 nan 8.150 nan 0.000 0.494 117 R N 0.016 120.529 120.500 0.022 0.000 2.621 117 R HA 0.303 4.642 4.340 -0.001 0.000 0.292 117 R C -0.959 175.365 176.300 0.041 0.000 0.969 117 R CA -0.680 55.448 56.100 0.047 0.000 0.887 117 R CB 1.270 31.591 30.300 0.035 0.000 1.180 117 R HN 0.701 nan 8.270 nan 0.000 0.450 118 F N 3.242 123.157 119.950 -0.058 0.000 2.629 118 F HA -0.137 4.390 4.527 -0.001 0.000 0.377 118 F C 1.203 176.930 175.800 -0.123 0.000 1.101 118 F CA 0.503 58.436 58.000 -0.112 0.000 1.301 118 F CB 0.264 39.224 39.000 -0.068 0.000 1.062 118 F HN 0.799 nan 8.300 nan 0.000 0.583 119 N N 2.474 120.489 118.700 -1.141 0.000 2.713 119 N HA -0.276 4.463 4.740 -0.001 0.000 0.251 119 N C -1.014 174.307 175.510 -0.316 0.000 1.117 119 N CA 1.516 53.993 53.050 -0.954 0.000 0.770 119 N CB -1.114 36.661 38.487 -1.187 0.000 1.137 119 N HN 0.825 nan 8.380 nan 0.000 0.566 120 Q N -0.383 119.302 119.800 -0.192 0.000 2.508 120 Q HA 0.283 4.622 4.340 -0.001 0.000 0.247 120 Q C 0.932 176.940 176.000 0.013 0.000 1.047 120 Q CA -0.188 55.589 55.803 -0.043 0.000 0.783 120 Q CB 0.760 29.480 28.738 -0.029 0.000 1.172 120 Q HN 0.420 nan 8.270 nan 0.000 0.515 121 c N 3.107 121.772 118.600 0.108 0.000 2.413 121 c HA -0.154 4.415 4.570 -0.001 0.000 0.277 121 c C 1.928 176.057 174.090 0.065 0.000 1.265 121 c CA 1.697 58.115 56.329 0.149 0.000 1.752 121 c CB -0.515 42.097 42.510 0.170 0.000 1.998 121 c HN 0.932 nan 8.230 nan 0.000 0.489 122 N N 0.617 119.340 118.700 0.038 0.000 2.571 122 N HA -0.064 4.675 4.740 -0.001 0.000 0.189 122 N C 0.973 176.490 175.510 0.012 0.000 1.154 122 N CA 1.485 54.546 53.050 0.019 0.000 0.907 122 N CB -1.117 37.376 38.487 0.010 0.000 0.977 122 N HN 0.732 nan 8.380 nan 0.000 0.449 123 T N -5.750 108.811 114.554 0.012 0.000 3.134 123 T HA 0.201 4.550 4.350 -0.001 0.000 0.260 123 T C 1.073 175.775 174.700 0.004 0.000 1.027 123 T CA -0.196 61.908 62.100 0.005 0.000 0.913 123 T CB -0.205 68.665 68.868 0.004 0.000 1.046 123 T HN -0.027 nan 8.240 nan 0.000 0.553 124 T N 1.805 116.365 114.554 0.010 0.000 2.770 124 T HA 0.129 4.478 4.350 -0.001 0.000 0.258 124 T C 1.037 175.732 174.700 -0.008 0.000 1.039 124 T CA 0.487 62.593 62.100 0.009 0.000 1.143 124 T CB -0.046 68.843 68.868 0.034 0.000 0.866 124 T HN 0.360 nan 8.240 nan 0.000 0.428 125 R N 1.013 121.508 120.500 -0.009 0.000 2.442 125 R HA 0.385 4.724 4.340 -0.001 0.000 0.291 125 R C 1.316 177.598 176.300 -0.029 0.000 1.069 125 R CA 0.720 56.806 56.100 -0.023 0.000 1.022 125 R CB 0.372 30.663 30.300 -0.016 0.000 0.976 125 R HN 0.573 nan 8.270 nan 0.000 0.443 126 G N 2.500 111.272 108.800 -0.046 0.000 2.217 126 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.246 126 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.246 126 G C 0.447 175.318 174.900 -0.048 0.000 0.990 126 G CA -0.056 45.018 45.100 -0.043 0.000 0.627 126 G HN 0.621 nan 8.290 nan 0.000 0.522 127 N N 0.868 119.537 118.700 -0.053 0.000 2.187 127 N HA 0.203 4.942 4.740 -0.001 0.000 0.212 127 N C 0.072 175.539 175.510 -0.072 0.000 1.152 127 N CA 0.191 53.215 53.050 -0.045 0.000 0.872 127 N CB 0.511 38.985 38.487 -0.021 0.000 1.025 127 N HN 0.571 nan 8.380 nan 0.000 0.514 128 E N 0.569 120.680 120.200 -0.147 0.000 2.376 128 E HA 0.181 4.530 4.350 -0.001 0.000 0.266 128 E C -0.328 176.141 176.600 -0.217 0.000 1.009 128 E CA 0.148 56.362 56.400 -0.310 0.000 0.902 128 E CB 1.170 30.496 29.700 -0.624 0.000 0.972 128 E HN -0.144 nan 8.360 nan 0.000 0.439 129 V N 4.642 124.497 119.914 -0.099 0.000 2.487 129 V HA 0.254 4.373 4.120 -0.001 0.000 0.298 129 V C -0.290 175.852 176.094 0.081 0.000 1.028 129 V CA -1.003 61.283 62.300 -0.023 0.000 0.860 129 V CB 1.288 33.112 31.823 0.002 0.000 0.991 129 V HN 0.554 nan 8.190 nan 0.000 0.427 130 I N 3.933 124.521 120.570 0.029 0.000 2.441 130 I HA 0.237 4.407 4.170 -0.001 0.000 0.287 130 I C 1.038 177.149 176.117 -0.010 0.000 1.049 130 I CA 0.386 61.724 61.300 0.065 0.000 1.381 130 I CB 1.309 39.311 38.000 0.004 0.000 1.409 130 I HN 0.833 nan 8.210 nan 0.000 0.523 131 S N 5.400 121.077 115.700 -0.038 0.000 2.593 131 S HA 0.226 4.695 4.470 -0.001 0.000 0.269 131 S C 1.276 175.777 174.600 -0.166 0.000 1.334 131 S CA -0.752 57.372 58.200 -0.127 0.000 1.015 131 S CB 1.364 64.449 63.200 -0.192 0.000 0.912 131 S HN 0.366 nan 8.310 nan 0.000 0.541 132 V N 2.444 122.245 119.914 -0.190 0.000 2.392 132 V HA -0.216 3.903 4.120 -0.001 0.000 0.249 132 V C 2.492 178.320 176.094 -0.444 0.000 1.059 132 V CA 2.427 64.606 62.300 -0.201 0.000 1.051 132 V CB -1.051 30.751 31.823 -0.034 0.000 0.658 132 V HN 0.976 nan 8.190 nan 0.000 0.455 133 M N 0.321 119.421 119.600 -0.833 0.000 2.117 133 M HA -0.203 4.276 4.480 -0.001 0.000 0.262 133 M C 2.278 178.365 176.300 -0.355 0.000 1.065 133 M CA 2.017 56.724 55.300 -0.987 0.000 1.114 133 M CB -0.428 31.607 32.600 -0.941 0.000 1.361 133 M HN 0.476 nan 8.290 nan 0.000 0.408 134 N N 0.631 119.197 118.700 -0.224 0.000 2.084 134 N HA -0.191 4.548 4.740 -0.001 0.000 0.190 134 N C 1.634 177.101 175.510 -0.070 0.000 1.030 134 N CA 1.638 54.633 53.050 -0.091 0.000 0.849 134 N CB -0.190 38.273 38.487 -0.041 0.000 1.012 134 N HN 0.442 nan 8.380 nan 0.000 0.423 135 R N 0.292 120.737 120.500 -0.092 0.000 2.092 135 R HA 0.017 4.356 4.340 -0.001 0.000 0.231 135 R C 2.340 178.620 176.300 -0.034 0.000 1.119 135 R CA 1.191 57.258 56.100 -0.056 0.000 0.970 135 R CB -0.291 29.974 30.300 -0.059 0.000 0.864 135 R HN 0.253 nan 8.270 nan 0.000 0.440 136 A N 1.539 124.330 122.820 -0.050 0.000 1.902 136 A HA -0.237 4.082 4.320 -0.001 0.000 0.217 136 A C 2.043 179.648 177.584 0.035 0.000 1.181 136 A CA 1.703 53.750 52.037 0.018 0.000 0.623 136 A CB -0.317 18.727 19.000 0.073 0.000 0.818 136 A HN 0.094 nan 8.150 nan 0.000 0.443 137 K N 0.522 120.932 120.400 0.017 0.000 2.026 137 K HA -0.149 4.171 4.320 -0.001 0.000 0.208 137 K C 1.982 178.603 176.600 0.034 0.000 1.048 137 K CA 2.190 58.502 56.287 0.041 0.000 0.929 137 K CB -0.384 32.141 32.500 0.041 0.000 0.713 137 K HN 0.430 nan 8.250 nan 0.000 0.439 138 K N -0.451 119.959 120.400 0.016 0.000 2.152 138 K HA -0.083 4.237 4.320 -0.001 0.000 0.206 138 K C 1.427 178.037 176.600 0.016 0.000 1.048 138 K CA 1.378 57.673 56.287 0.013 0.000 0.933 138 K CB -0.254 32.247 32.500 0.002 0.000 0.721 138 K HN 0.249 nan 8.250 nan 0.000 0.447 139 A N -0.123 122.708 122.820 0.018 0.000 2.259 139 A HA 0.192 4.511 4.320 -0.001 0.000 0.208 139 A C 1.198 178.799 177.584 0.028 0.000 1.201 139 A CA 0.819 52.867 52.037 0.019 0.000 0.824 139 A CB -0.345 18.666 19.000 0.018 0.000 0.838 139 A HN 0.555 nan 8.150 nan 0.000 0.485 140 G N -0.686 108.136 108.800 0.037 0.000 2.157 140 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.248 140 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.248 140 G C 0.218 175.155 174.900 0.061 0.000 0.979 140 G CA 0.395 45.521 45.100 0.045 0.000 0.650 140 G HN 0.568 nan 8.290 nan 0.000 0.529 141 K N 0.773 121.217 120.400 0.073 0.000 2.168 141 K HA 0.521 4.840 4.320 -0.001 0.000 0.258 141 K C 0.501 177.178 176.600 0.129 0.000 1.010 141 K CA -0.119 56.233 56.287 0.108 0.000 0.929 141 K CB 0.772 33.348 32.500 0.126 0.000 0.998 141 K HN 0.152 nan 8.250 nan 0.000 0.479 142 S N 0.821 116.619 115.700 0.165 0.000 2.584 142 S HA 0.297 4.766 4.470 -0.001 0.000 0.273 142 S C -0.365 174.370 174.600 0.224 0.000 1.311 142 S CA -0.972 57.317 58.200 0.149 0.000 1.034 142 S CB 1.047 64.315 63.200 0.114 0.000 0.939 142 S HN 0.436 nan 8.310 nan 0.000 0.513 143 V N -0.413 119.612 119.914 0.185 0.000 2.876 143 V HA 1.046 5.165 4.120 -0.001 0.000 0.312 143 V C -0.093 176.132 176.094 0.219 0.000 1.085 143 V CA -0.714 61.743 62.300 0.260 0.000 0.945 143 V CB 1.551 33.502 31.823 0.215 0.000 1.017 143 V HN 0.917 nan 8.190 nan 0.000 0.428 144 G N 1.690 110.661 108.800 0.284 0.000 2.662 144 G HA2 0.647 4.606 3.960 -0.001 0.000 0.302 144 G HA3 0.647 4.606 3.960 -0.001 0.000 0.302 144 G C -1.625 173.459 174.900 0.306 0.000 1.389 144 G CA -0.723 44.507 45.100 0.217 0.000 0.998 144 G HN 1.088 nan 8.290 nan 0.000 0.502 145 V N 1.813 121.889 119.914 0.269 0.000 2.444 145 V HA 0.621 4.740 4.120 -0.001 0.000 0.294 145 V C -0.497 175.793 176.094 0.326 0.000 1.022 145 V CA -0.632 61.887 62.300 0.365 0.000 0.850 145 V CB 1.544 33.528 31.823 0.268 0.000 0.992 145 V HN 0.592 nan 8.190 nan 0.000 0.426 146 V N 3.970 124.121 119.914 0.394 0.000 2.623 146 V HA 0.801 4.920 4.120 -0.001 0.000 0.304 146 V C -0.254 176.002 176.094 0.270 0.000 1.054 146 V CA -0.205 62.253 62.300 0.263 0.000 0.882 146 V CB 2.139 34.061 31.823 0.166 0.000 1.002 146 V HN 0.945 nan 8.190 nan 0.000 0.424 147 T N 1.400 116.101 114.554 0.244 0.000 2.840 147 T HA 0.365 4.714 4.350 -0.001 0.000 0.317 147 T C 0.708 175.495 174.700 0.144 0.000 1.401 147 T CA 0.403 62.625 62.100 0.202 0.000 1.028 147 T CB 2.036 71.091 68.868 0.311 0.000 1.317 147 T HN 0.829 nan 8.240 nan 0.000 0.495 148 T N -0.253 114.342 114.554 0.069 0.000 3.100 148 T HA 0.229 4.578 4.350 -0.001 0.000 0.253 148 T C 1.144 175.838 174.700 -0.010 0.000 1.118 148 T CA 0.669 62.785 62.100 0.027 0.000 1.058 148 T CB -0.553 68.296 68.868 -0.033 0.000 0.953 148 T HN 0.841 nan 8.240 nan 0.000 0.515 149 T N -0.137 114.413 114.554 -0.007 0.000 2.849 149 T HA 0.495 4.845 4.350 -0.001 0.000 0.276 149 T C 0.178 174.931 174.700 0.089 0.000 0.971 149 T CA -1.120 60.959 62.100 -0.035 0.000 0.949 149 T CB 0.744 69.500 68.868 -0.187 0.000 1.093 149 T HN 0.201 nan 8.240 nan 0.000 0.545 150 R N 0.491 121.055 120.500 0.107 0.000 2.566 150 R HA 0.112 4.452 4.340 -0.001 0.000 0.273 150 R C 1.733 178.185 176.300 0.253 0.000 0.981 150 R CA 0.410 56.630 56.100 0.200 0.000 1.091 150 R CB 0.160 30.609 30.300 0.248 0.000 0.924 150 R HN 0.638 nan 8.270 nan 0.000 0.411 151 V N 0.539 120.593 119.914 0.233 0.000 3.078 151 V HA -0.172 3.947 4.120 -0.001 0.000 0.265 151 V C 0.938 177.222 176.094 0.316 0.000 1.122 151 V CA 1.209 63.656 62.300 0.244 0.000 1.141 151 V CB -0.278 31.635 31.823 0.151 0.000 0.735 151 V HN 0.684 nan 8.190 nan 0.000 0.498 152 Q N -0.905 119.089 119.800 0.322 0.000 2.319 152 Q HA 0.267 4.606 4.340 -0.001 0.000 0.202 152 Q C 0.974 177.192 176.000 0.363 0.000 0.896 152 Q CA 0.005 56.010 55.803 0.337 0.000 0.942 152 Q CB -0.235 28.669 28.738 0.277 0.000 1.083 152 Q HN 0.783 nan 8.270 nan 0.000 0.510 153 H N -0.487 118.748 119.070 0.274 0.000 2.730 153 H HA 0.155 4.711 4.556 -0.001 0.000 0.376 153 H C 1.006 176.422 175.328 0.146 0.000 1.299 153 H CA 0.509 56.732 56.048 0.292 0.000 1.447 153 H CB 1.116 31.028 29.762 0.251 0.000 1.493 153 H HN 0.246 nan 8.280 nan 0.000 0.619 154 A N 2.337 125.100 122.820 -0.094 0.000 1.908 154 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 154 A C 2.522 180.095 177.584 -0.019 0.000 1.181 154 A CA 1.987 53.961 52.037 -0.104 0.000 0.627 154 A CB -0.693 18.230 19.000 -0.127 0.000 0.818 154 A HN 0.703 nan 8.150 nan 0.000 0.445 155 S N 0.439 116.241 115.700 0.170 0.000 2.344 155 S HA -0.089 4.381 4.470 -0.001 0.000 0.217 155 S C -0.185 174.374 174.600 -0.068 0.000 1.033 155 S CA 1.463 59.803 58.200 0.233 0.000 1.017 155 S CB -1.402 62.112 63.200 0.524 0.000 0.941 155 S HN 0.597 nan 8.310 nan 0.000 0.430 156 P HA -0.041 nan 4.420 nan 0.000 0.216 156 P C 1.308 178.342 177.300 -0.443 0.000 1.150 156 P CA 1.553 64.425 63.100 -0.381 0.000 0.837 156 P CB -0.176 31.595 31.700 0.118 0.000 0.786 157 A N 0.612 123.179 122.820 -0.421 0.000 1.978 157 A HA -0.088 4.231 4.320 -0.001 0.000 0.220 157 A C 2.605 179.670 177.584 -0.865 0.000 1.170 157 A CA 1.948 53.444 52.037 -0.901 0.000 0.636 157 A CB -1.967 16.746 19.000 -0.478 0.000 0.810 157 A HN 0.309 nan 8.150 nan 0.000 0.448 158 G N -0.417 108.056 108.800 -0.544 0.000 2.479 158 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.220 158 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.220 158 G C 1.615 176.242 174.900 -0.456 0.000 1.115 158 G CA 1.875 46.700 45.100 -0.460 0.000 0.757 158 G HN 0.724 nan 8.290 nan 0.000 0.560 159 T N -2.189 112.067 114.554 -0.496 0.000 3.023 159 T HA -0.002 4.347 4.350 -0.001 0.000 0.266 159 T C 1.866 176.442 174.700 -0.206 0.000 1.093 159 T CA 1.388 63.298 62.100 -0.317 0.000 1.129 159 T CB -0.314 68.422 68.868 -0.220 0.000 0.899 159 T HN 0.722 nan 8.240 nan 0.000 0.491 160 Y N -0.404 119.741 120.300 -0.258 0.000 2.460 160 Y HA 0.801 5.350 4.550 -0.002 0.000 0.276 160 Y C 0.715 176.404 175.900 -0.353 0.000 1.119 160 Y CA -0.917 57.043 58.100 -0.232 0.000 1.181 160 Y CB 0.031 38.411 38.460 -0.132 0.000 1.304 160 Y HN 0.303 nan 8.280 nan 0.000 0.536 161 A N 1.570 123.987 122.820 -0.673 0.000 2.269 161 A HA 0.722 5.041 4.320 -0.001 0.000 0.319 161 A C -1.192 175.929 177.584 -0.772 0.000 1.110 161 A CA -0.525 51.203 52.037 -0.516 0.000 0.847 161 A CB 0.383 19.125 19.000 -0.428 0.000 1.161 161 A HN 0.493 nan 8.150 nan 0.000 0.497 162 H N 0.133 119.160 119.070 -0.073 0.000 3.013 162 H HA 0.568 5.123 4.556 -0.002 0.000 0.326 162 H C -1.144 174.156 175.328 -0.047 0.000 0.973 162 H CA -0.168 55.839 56.048 -0.069 0.000 1.369 162 H CB 1.590 31.328 29.762 -0.040 0.000 1.598 162 H HN 0.652 nan 8.280 nan 0.000 0.518 163 T N 1.156 115.709 114.554 -0.000 0.000 2.982 163 T HA 0.174 4.523 4.350 -0.001 0.000 0.321 163 T C 1.030 175.648 174.700 -0.137 0.000 1.229 163 T CA -0.551 61.527 62.100 -0.037 0.000 1.044 163 T CB 1.207 70.042 68.868 -0.055 0.000 1.184 163 T HN 0.325 nan 8.240 nan 0.000 0.477 164 V N 1.535 121.331 119.914 -0.198 0.000 3.380 164 V HA 0.402 4.521 4.120 -0.001 0.000 0.268 164 V C 0.660 176.430 176.094 -0.539 0.000 1.168 164 V CA 0.616 62.745 62.300 -0.284 0.000 1.156 164 V CB -0.713 30.962 31.823 -0.247 0.000 0.785 164 V HN 0.688 nan 8.190 nan 0.000 0.487 165 N N 1.070 119.270 118.700 -0.834 0.000 2.558 165 N HA 0.262 5.002 4.740 -0.001 0.000 0.285 165 N C 1.024 176.101 175.510 -0.722 0.000 1.112 165 N CA -0.370 52.061 53.050 -1.032 0.000 0.857 165 N CB 1.956 39.090 38.487 -2.254 0.000 1.376 165 N HN 0.463 nan 8.380 nan 0.000 0.526 166 R N 2.302 122.560 120.500 -0.403 0.000 2.200 166 R HA 0.007 4.346 4.340 -0.001 0.000 0.234 166 R C 0.190 176.130 176.300 -0.600 0.000 1.127 166 R CA 1.078 56.933 56.100 -0.409 0.000 0.989 166 R CB -0.153 29.952 30.300 -0.325 0.000 0.869 166 R HN 0.317 nan 8.270 nan 0.000 0.459 167 N N 0.137 118.514 118.700 -0.538 0.000 2.515 167 N HA -0.073 4.666 4.740 -0.001 0.000 0.185 167 N C -0.429 174.812 175.510 -0.448 0.000 1.109 167 N CA 0.512 53.231 53.050 -0.551 0.000 0.903 167 N CB 0.079 38.464 38.487 -0.170 0.000 0.969 167 N HN 0.317 nan 8.380 nan 0.000 0.450 168 W N 1.651 122.658 121.300 -0.488 0.000 1.395 168 W HA 0.193 4.851 4.660 -0.003 0.000 0.451 168 W C 0.527 176.835 176.519 -0.352 0.000 0.619 168 W CA -1.259 55.889 57.345 -0.328 0.000 2.212 168 W CB -1.411 27.925 29.460 -0.207 0.000 1.537 168 W HN 0.068 nan 8.180 nan 0.000 0.275 169 Y N 0.533 120.784 120.300 -0.082 0.000 2.163 169 Y HA -0.177 4.372 4.550 -0.001 0.000 0.288 169 Y C 1.898 177.598 175.900 -0.333 0.000 1.136 169 Y CA 1.532 59.368 58.100 -0.440 0.000 1.147 169 Y CB -0.587 37.172 38.460 -1.169 0.000 0.987 169 Y HN 0.034 nan 8.280 nan 0.000 0.509 170 S N -1.044 114.658 115.700 0.002 0.000 2.704 170 S HA 0.194 4.663 4.470 -0.001 0.000 0.296 170 S C 0.600 175.217 174.600 0.028 0.000 1.138 170 S CA -0.306 57.944 58.200 0.083 0.000 0.875 170 S CB 1.638 64.986 63.200 0.247 0.000 1.151 170 S HN 0.321 nan 8.310 nan 0.000 0.500 171 D N 1.003 121.406 120.400 0.004 0.000 2.221 171 D HA -0.140 4.499 4.640 -0.001 0.000 0.204 171 D C 1.855 178.115 176.300 -0.067 0.000 0.982 171 D CA 1.493 55.457 54.000 -0.061 0.000 0.857 171 D CB -0.917 39.854 40.800 -0.048 0.000 0.934 171 D HN 0.676 nan 8.370 nan 0.000 0.475 172 A N 1.011 123.835 122.820 0.006 0.000 2.076 172 A HA -0.180 4.139 4.320 -0.001 0.000 0.220 172 A C 1.746 179.332 177.584 0.002 0.000 1.160 172 A CA 1.643 53.691 52.037 0.019 0.000 0.653 172 A CB -0.241 18.806 19.000 0.078 0.000 0.801 172 A HN 0.150 nan 8.150 nan 0.000 0.455 173 D N -0.771 119.626 120.400 -0.005 0.000 2.346 173 D HA 0.107 4.746 4.640 -0.001 0.000 0.206 173 D C 0.120 176.285 176.300 -0.225 0.000 1.001 173 D CA 0.330 54.336 54.000 0.010 0.000 0.871 173 D CB 0.216 41.100 40.800 0.139 0.000 0.943 173 D HN 0.196 nan 8.370 nan 0.000 0.518 174 V N 3.490 123.121 119.914 -0.471 0.000 2.432 174 V HA 0.176 4.296 4.120 -0.001 0.000 0.271 174 V C -2.075 173.692 176.094 -0.546 0.000 1.046 174 V CA -1.562 60.163 62.300 -0.958 0.000 0.945 174 V CB 1.181 32.474 31.823 -0.885 0.000 0.992 174 V HN -0.116 nan 8.190 nan 0.000 0.471 175 P HA 0.108 nan 4.420 nan 0.000 0.267 175 P C 0.736 177.894 177.300 -0.237 0.000 1.200 175 P CA 0.051 63.007 63.100 -0.240 0.000 0.772 175 P CB 0.731 32.347 31.700 -0.140 0.000 0.855 176 A N 2.650 125.382 122.820 -0.147 0.000 1.917 176 A HA -0.244 4.075 4.320 -0.001 0.000 0.219 176 A C 2.174 179.687 177.584 -0.118 0.000 1.182 176 A CA 2.605 54.570 52.037 -0.121 0.000 0.633 176 A CB -1.828 17.125 19.000 -0.078 0.000 0.819 176 A HN 0.642 nan 8.150 nan 0.000 0.448 177 S N 0.072 115.711 115.700 -0.101 0.000 2.382 177 S HA 0.040 4.509 4.470 -0.001 0.000 0.228 177 S C 2.082 176.623 174.600 -0.100 0.000 1.027 177 S CA 1.348 59.502 58.200 -0.078 0.000 0.991 177 S CB -0.714 62.457 63.200 -0.049 0.000 0.823 177 S HN 0.951 nan 8.310 nan 0.000 0.469 178 A N 2.355 125.077 122.820 -0.164 0.000 1.929 178 A HA 0.053 4.373 4.320 -0.001 0.000 0.216 178 A C 2.388 179.835 177.584 -0.229 0.000 1.176 178 A CA 0.989 52.898 52.037 -0.214 0.000 0.628 178 A CB -0.512 18.215 19.000 -0.455 0.000 0.816 178 A HN 0.531 nan 8.150 nan 0.000 0.444 179 R N -0.709 119.640 120.500 -0.252 0.000 2.081 179 R HA -0.131 4.208 4.340 -0.001 0.000 0.235 179 R C 2.251 178.482 176.300 -0.115 0.000 1.131 179 R CA 1.434 57.420 56.100 -0.189 0.000 0.960 179 R CB -0.298 29.894 30.300 -0.179 0.000 0.856 179 R HN 0.463 nan 8.270 nan 0.000 0.436 180 Q N 0.810 120.551 119.800 -0.098 0.000 2.124 180 Q HA -0.143 4.196 4.340 -0.001 0.000 0.202 180 Q C 1.387 177.355 176.000 -0.053 0.000 0.977 180 Q CA 1.446 57.210 55.803 -0.066 0.000 0.850 180 Q CB -0.080 28.625 28.738 -0.055 0.000 0.901 180 Q HN 0.495 nan 8.270 nan 0.000 0.429 181 E N -0.666 119.501 120.200 -0.055 0.000 2.502 181 E HA 0.157 4.506 4.350 -0.001 0.000 0.194 181 E C 0.506 177.089 176.600 -0.028 0.000 1.062 181 E CA 0.328 56.708 56.400 -0.034 0.000 0.867 181 E CB 0.126 29.812 29.700 -0.023 0.000 0.888 181 E HN 0.485 nan 8.360 nan 0.000 0.510 182 G N 0.907 109.682 108.800 -0.042 0.000 2.141 182 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.242 182 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.242 182 G C 0.217 175.109 174.900 -0.014 0.000 0.982 182 G CA -0.184 44.899 45.100 -0.028 0.000 0.662 182 G HN 0.327 nan 8.290 nan 0.000 0.527 183 c N 2.140 120.725 118.600 -0.025 0.000 2.540 183 c HA 0.449 5.018 4.570 -0.001 0.000 0.377 183 c C 1.040 175.118 174.090 -0.020 0.000 1.274 183 c CA -0.318 56.026 56.329 0.025 0.000 1.718 183 c CB -0.449 42.121 42.510 0.100 0.000 2.391 183 c HN 0.558 nan 8.230 nan 0.000 0.565 184 Q N 3.109 122.930 119.800 0.035 0.000 2.293 184 Q HA 0.205 4.545 4.340 -0.001 0.000 0.251 184 Q C 0.356 176.388 176.000 0.052 0.000 0.930 184 Q CA -0.131 55.682 55.803 0.017 0.000 0.893 184 Q CB 1.057 29.817 28.738 0.036 0.000 1.215 184 Q HN 0.725 nan 8.270 nan 0.000 0.425 185 D N 1.771 122.176 120.400 0.009 0.000 2.378 185 D HA -0.065 4.574 4.640 -0.001 0.000 0.238 185 D C 0.731 177.075 176.300 0.073 0.000 1.180 185 D CA 0.017 54.044 54.000 0.045 0.000 0.895 185 D CB 1.124 41.926 40.800 0.002 0.000 1.192 185 D HN 0.505 nan 8.370 nan 0.000 0.438 186 I N 0.962 121.577 120.570 0.075 0.000 2.286 186 I HA -0.265 3.904 4.170 -0.001 0.000 0.248 186 I C 2.721 178.927 176.117 0.148 0.000 1.115 186 I CA 1.485 62.851 61.300 0.111 0.000 1.392 186 I CB -0.376 37.663 38.000 0.065 0.000 1.065 186 I HN 0.559 nan 8.210 nan 0.000 0.418 187 A N 0.532 123.404 122.820 0.087 0.000 1.908 187 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 187 A C 2.401 179.989 177.584 0.007 0.000 1.181 187 A CA 2.530 54.600 52.037 0.056 0.000 0.627 187 A CB -1.116 17.931 19.000 0.079 0.000 0.818 187 A HN 0.390 nan 8.150 nan 0.000 0.445 188 T N 0.172 114.738 114.554 0.020 0.000 2.708 188 T HA -0.183 4.167 4.350 -0.001 0.000 0.266 188 T C 2.045 176.761 174.700 0.027 0.000 1.037 188 T CA 1.685 63.791 62.100 0.011 0.000 1.146 188 T CB -0.318 68.557 68.868 0.011 0.000 0.865 188 T HN 0.623 nan 8.240 nan 0.000 0.435 189 Q N 0.313 120.156 119.800 0.073 0.000 2.135 189 Q HA -0.081 4.258 4.340 -0.001 0.000 0.204 189 Q C 2.389 178.422 176.000 0.055 0.000 0.981 189 Q CA 1.005 56.879 55.803 0.118 0.000 0.856 189 Q CB -0.462 28.387 28.738 0.186 0.000 0.902 189 Q HN 0.360 nan 8.270 nan 0.000 0.425 190 L N 1.291 122.463 121.223 -0.085 0.000 2.043 190 L HA -0.185 4.154 4.340 -0.001 0.000 0.212 190 L C 2.074 178.739 176.870 -0.342 0.000 1.075 190 L CA 1.746 56.215 54.840 -0.617 0.000 0.752 190 L CB -0.314 41.448 42.059 -0.495 0.000 0.891 190 L HN 0.363 nan 8.230 nan 0.000 0.432 191 I N -4.706 115.792 120.570 -0.121 0.000 3.427 191 I HA 0.095 4.264 4.170 -0.001 0.000 0.288 191 I C 2.104 178.283 176.117 0.103 0.000 1.249 191 I CA 1.024 62.368 61.300 0.074 0.000 1.421 191 I CB -0.037 38.035 38.000 0.120 0.000 1.086 191 I HN 0.182 nan 8.210 nan 0.000 0.448 192 S N 0.930 116.656 115.700 0.044 0.000 2.545 192 S HA 0.100 4.569 4.470 -0.001 0.000 0.232 192 S C 1.672 176.304 174.600 0.053 0.000 1.070 192 S CA 0.380 58.608 58.200 0.047 0.000 0.923 192 S CB -0.242 62.980 63.200 0.037 0.000 0.806 192 S HN 0.418 nan 8.310 nan 0.000 0.506 193 N N 1.776 120.516 118.700 0.066 0.000 2.142 193 N HA 0.101 4.841 4.740 -0.001 0.000 0.186 193 N C 0.676 176.234 175.510 0.079 0.000 1.023 193 N CA 1.500 54.605 53.050 0.092 0.000 0.852 193 N CB -0.170 38.397 38.487 0.134 0.000 0.998 193 N HN 0.666 nan 8.380 nan 0.000 0.424 194 M N -2.492 117.151 119.600 0.071 0.000 2.644 194 M HA 0.385 4.865 4.480 -0.001 0.000 0.273 194 M C -1.745 174.608 176.300 0.088 0.000 1.253 194 M CA -1.017 54.325 55.300 0.071 0.000 0.852 194 M CB 2.047 34.690 32.600 0.071 0.000 1.708 194 M HN -0.318 nan 8.290 nan 0.000 0.471 195 D N 1.592 122.051 120.400 0.098 0.000 2.348 195 D HA 0.532 5.171 4.640 -0.001 0.000 0.253 195 D C -1.305 175.109 176.300 0.190 0.000 1.161 195 D CA 0.202 54.294 54.000 0.154 0.000 0.876 195 D CB 0.548 41.435 40.800 0.145 0.000 1.160 195 D HN 0.590 nan 8.370 nan 0.000 0.459 196 I N 3.600 124.339 120.570 0.282 0.000 2.447 196 I HA 0.178 4.347 4.170 -0.001 0.000 0.287 196 I C 0.741 177.058 176.117 0.334 0.000 1.023 196 I CA -0.695 60.750 61.300 0.241 0.000 1.083 196 I CB 2.067 40.155 38.000 0.146 0.000 1.245 196 I HN 0.379 nan 8.210 nan 0.000 0.434 197 D N 4.123 124.611 120.400 0.147 0.000 2.162 197 D HA 0.013 4.652 4.640 -0.001 0.000 0.203 197 D C 0.294 176.653 176.300 0.099 0.000 0.967 197 D CA 1.514 55.478 54.000 -0.060 0.000 0.840 197 D CB 0.756 41.463 40.800 -0.156 0.000 0.972 197 D HN 0.161 nan 8.370 nan 0.000 0.482 198 V N 1.708 121.701 119.914 0.131 0.000 2.569 198 V HA 0.356 4.475 4.120 -0.001 0.000 0.301 198 V C -0.475 175.685 176.094 0.109 0.000 1.044 198 V CA -0.579 61.795 62.300 0.123 0.000 0.874 198 V CB 2.446 34.315 31.823 0.076 0.000 1.002 198 V HN -0.066 nan 8.190 nan 0.000 0.424 199 I N 6.267 126.868 120.570 0.052 0.000 2.439 199 I HA 0.520 4.689 4.170 -0.001 0.000 0.283 199 I C -0.973 175.156 176.117 0.021 0.000 1.023 199 I CA -0.200 61.098 61.300 -0.003 0.000 1.100 199 I CB 1.519 39.407 38.000 -0.187 0.000 1.238 199 I HN 0.341 nan 8.210 nan 0.000 0.445 200 L N 6.125 127.417 121.223 0.116 0.000 2.409 200 L HA 0.945 5.284 4.340 -0.001 0.000 0.272 200 L C 0.310 177.323 176.870 0.237 0.000 0.980 200 L CA -0.347 54.611 54.840 0.197 0.000 0.826 200 L CB 1.956 44.185 42.059 0.284 0.000 1.268 200 L HN 0.802 nan 8.230 nan 0.000 0.407 201 G N 1.582 110.539 108.800 0.261 0.000 2.455 201 G HA2 0.373 4.332 3.960 -0.001 0.000 0.223 201 G HA3 0.373 4.332 3.960 -0.001 0.000 0.223 201 G C -0.813 174.226 174.900 0.231 0.000 1.226 201 G CA -0.052 45.214 45.100 0.276 0.000 0.948 201 G HN 0.796 nan 8.290 nan 0.000 0.478 202 G N -1.927 106.982 108.800 0.182 0.000 2.532 202 G HA2 0.638 4.597 3.960 -0.001 0.000 0.291 202 G HA3 0.638 4.597 3.960 -0.001 0.000 0.291 202 G C 1.011 175.989 174.900 0.131 0.000 1.349 202 G CA 0.656 45.845 45.100 0.149 0.000 1.038 202 G HN 2.377 nan 8.290 nan 0.000 0.518 203 G N -1.420 107.443 108.800 0.105 0.000 2.145 203 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.176 203 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.176 203 G C 1.114 176.059 174.900 0.076 0.000 1.013 203 G CA 0.590 45.765 45.100 0.124 0.000 0.689 203 G HN 0.641 nan 8.290 nan 0.000 0.506 204 R N 0.590 121.134 120.500 0.073 0.000 2.103 204 R HA -0.167 4.172 4.340 -0.001 0.000 0.242 204 R C 2.835 179.225 176.300 0.150 0.000 1.142 204 R CA 2.068 58.274 56.100 0.176 0.000 0.960 204 R CB -0.302 30.122 30.300 0.208 0.000 0.858 204 R HN 0.710 nan 8.270 nan 0.000 0.439 205 K N -0.378 119.969 120.400 -0.088 0.000 2.147 205 K HA -0.176 4.144 4.320 -0.001 0.000 0.205 205 K C 1.457 178.006 176.600 -0.085 0.000 1.049 205 K CA 1.701 57.911 56.287 -0.129 0.000 0.936 205 K CB -0.439 31.863 32.500 -0.330 0.000 0.722 205 K HN 0.318 nan 8.250 nan 0.000 0.446 206 Y N 0.580 120.924 120.300 0.073 0.000 2.632 206 Y HA 0.086 4.636 4.550 -0.001 0.000 0.301 206 Y C 1.875 177.747 175.900 -0.047 0.000 1.172 206 Y CA -0.111 58.013 58.100 0.041 0.000 1.328 206 Y CB 0.038 38.540 38.460 0.070 0.000 1.016 206 Y HN 0.033 nan 8.280 nan 0.000 0.529 207 M N -1.150 118.417 119.600 -0.054 0.000 2.441 207 M HA 0.181 4.660 4.480 -0.001 0.000 0.244 207 M C -0.847 175.041 176.300 -0.687 0.000 1.122 207 M CA 0.460 55.499 55.300 -0.436 0.000 1.041 207 M CB -0.387 31.767 32.600 -0.744 0.000 1.438 207 M HN 0.000 nan 8.290 nan 0.000 0.484 208 F N 0.882 120.819 119.950 -0.023 0.000 2.577 208 F HA 0.474 5.000 4.527 -0.001 0.000 0.318 208 F C 0.703 176.488 175.800 -0.025 0.000 1.065 208 F CA -1.530 56.445 58.000 -0.042 0.000 0.929 208 F CB 0.989 39.950 39.000 -0.065 0.000 1.237 208 F HN -0.016 nan 8.300 nan 0.000 0.468 209 R N 1.862 122.463 120.500 0.170 0.000 2.694 209 R HA 0.384 4.723 4.340 -0.001 0.000 0.268 209 R C 0.047 176.384 176.300 0.062 0.000 1.061 209 R CA -0.703 55.447 56.100 0.083 0.000 1.133 209 R CB 0.591 30.920 30.300 0.049 0.000 1.020 209 R HN 0.872 nan 8.270 nan 0.000 0.475 210 M N 2.104 121.725 119.600 0.034 0.000 2.248 210 M HA 0.025 4.504 4.480 -0.001 0.000 0.343 210 M C 0.786 177.069 176.300 -0.028 0.000 1.243 210 M CA 2.430 57.733 55.300 0.005 0.000 1.025 210 M CB 0.246 32.848 32.600 0.004 0.000 1.759 210 M HN 1.052 nan 8.290 nan 0.000 0.452 211 G N 2.456 111.216 108.800 -0.068 0.000 2.279 211 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.223 211 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.223 211 G C 0.170 174.997 174.900 -0.120 0.000 1.015 211 G CA 0.181 45.211 45.100 -0.115 0.000 0.621 211 G HN 0.776 nan 8.290 nan 0.000 0.506 212 T N 4.536 119.041 114.554 -0.081 0.000 2.761 212 T HA 0.466 4.815 4.350 -0.001 0.000 0.287 212 T C -2.171 172.430 174.700 -0.164 0.000 0.931 212 T CA -0.193 61.834 62.100 -0.122 0.000 1.164 212 T CB 1.364 70.168 68.868 -0.107 0.000 0.876 212 T HN 0.205 nan 8.240 nan 0.000 0.534 213 P HA 0.117 nan 4.420 nan 0.000 0.267 213 P C -0.130 177.032 177.300 -0.231 0.000 1.205 213 P CA -0.357 62.650 63.100 -0.154 0.000 0.765 213 P CB 0.373 31.993 31.700 -0.132 0.000 0.828 214 D N 4.698 124.996 120.400 -0.169 0.000 2.458 214 D HA 0.002 4.642 4.640 -0.001 0.000 0.243 214 D C -1.012 175.074 176.300 -0.356 0.000 1.146 214 D CA -1.377 52.486 54.000 -0.228 0.000 0.877 214 D CB 0.540 41.315 40.800 -0.043 0.000 1.176 214 D HN 0.251 nan 8.370 nan 0.000 0.461 215 P HA -0.130 nan 4.420 nan 0.000 0.223 215 P C 0.668 177.429 177.300 -0.899 0.000 1.151 215 P CA 1.015 63.590 63.100 -0.875 0.000 0.787 215 P CB 0.298 31.041 31.700 -1.594 0.000 0.788 216 E N -1.290 118.440 120.200 -0.783 0.000 2.340 216 E HA -0.005 4.344 4.350 -0.001 0.000 0.198 216 E C -0.062 176.064 176.600 -0.789 0.000 0.961 216 E CA 0.109 56.089 56.400 -0.701 0.000 0.905 216 E CB 0.349 29.673 29.700 -0.628 0.000 0.884 216 E HN 0.202 nan 8.360 nan 0.000 0.491 217 Y N 0.241 120.469 120.300 -0.120 0.000 2.495 217 Y HA 0.303 4.853 4.550 -0.001 0.000 0.362 217 Y C -2.047 173.817 175.900 -0.061 0.000 0.956 217 Y CA -2.095 55.968 58.100 -0.062 0.000 1.127 217 Y CB 1.154 39.590 38.460 -0.040 0.000 1.173 217 Y HN 0.087 nan 8.280 nan 0.000 0.639 218 P HA -0.094 nan 4.420 nan 0.000 0.234 218 P C 0.356 177.709 177.300 0.089 0.000 1.167 218 P CA 1.210 64.311 63.100 0.001 0.000 0.763 218 P CB 0.364 32.032 31.700 -0.053 0.000 0.835 219 D N -1.665 118.788 120.400 0.088 0.000 2.363 219 D HA 0.040 4.679 4.640 -0.001 0.000 0.214 219 D C -0.214 176.085 176.300 -0.003 0.000 1.093 219 D CA -0.118 53.919 54.000 0.060 0.000 0.837 219 D CB -0.445 40.368 40.800 0.022 0.000 0.948 219 D HN -0.027 nan 8.370 nan 0.000 0.507 220 D N 0.131 120.574 120.400 0.072 0.000 2.446 220 D HA 0.063 4.702 4.640 -0.001 0.000 0.251 220 D C 0.197 176.574 176.300 0.128 0.000 1.137 220 D CA -0.735 53.273 54.000 0.012 0.000 0.890 220 D CB 0.328 41.129 40.800 0.001 0.000 1.071 220 D HN -0.207 nan 8.370 nan 0.000 0.528 221 Y N 1.521 121.810 120.300 -0.018 0.000 2.333 221 Y HA -0.148 4.401 4.550 -0.002 0.000 0.290 221 Y C 2.561 178.444 175.900 -0.028 0.000 1.144 221 Y CA 1.071 59.157 58.100 -0.023 0.000 1.228 221 Y CB -1.086 37.364 38.460 -0.017 0.000 0.985 221 Y HN 0.451 nan 8.280 nan 0.000 0.542 222 S N -0.531 115.237 115.700 0.113 0.000 2.469 222 S HA -0.156 4.314 4.470 -0.001 0.000 0.238 222 S C 1.437 176.036 174.600 -0.002 0.000 0.998 222 S CA 0.906 59.130 58.200 0.039 0.000 0.957 222 S CB -0.203 62.998 63.200 0.001 0.000 0.764 222 S HN 0.368 nan 8.310 nan 0.000 0.514 223 Q N 1.112 120.913 119.800 0.001 0.000 2.392 223 Q HA 0.349 4.688 4.340 -0.001 0.000 0.203 223 Q C 1.186 177.179 176.000 -0.012 0.000 0.917 223 Q CA 0.498 56.285 55.803 -0.026 0.000 0.939 223 Q CB -0.401 28.327 28.738 -0.016 0.000 1.063 223 Q HN 0.638 nan 8.270 nan 0.000 0.516 224 G N 0.066 108.869 108.800 0.005 0.000 2.611 224 G HA2 0.370 4.329 3.960 -0.001 0.000 0.273 224 G HA3 0.370 4.329 3.960 -0.001 0.000 0.273 224 G C 0.204 175.095 174.900 -0.016 0.000 1.305 224 G CA -0.058 45.029 45.100 -0.022 0.000 1.010 224 G HN 0.211 nan 8.290 nan 0.000 0.509 225 G N -1.844 106.958 108.800 0.004 0.000 2.484 225 G HA2 0.356 4.315 3.960 -0.001 0.000 0.235 225 G HA3 0.356 4.315 3.960 -0.001 0.000 0.235 225 G C 1.050 175.980 174.900 0.050 0.000 1.282 225 G CA 0.698 45.844 45.100 0.077 0.000 0.857 225 G HN 1.057 nan 8.290 nan 0.000 0.571 226 T N -1.338 113.262 114.554 0.076 0.000 2.985 226 T HA 0.205 4.554 4.350 -0.001 0.000 0.254 226 T C 1.005 175.762 174.700 0.094 0.000 1.021 226 T CA -0.339 61.816 62.100 0.092 0.000 0.957 226 T CB 0.206 69.172 68.868 0.164 0.000 1.047 226 T HN 0.445 nan 8.240 nan 0.000 0.511 227 R N 1.028 121.580 120.500 0.086 0.000 2.491 227 R HA 0.408 4.747 4.340 -0.001 0.000 0.283 227 R C 0.530 176.850 176.300 0.034 0.000 1.072 227 R CA -0.152 55.984 56.100 0.060 0.000 1.048 227 R CB 0.763 31.090 30.300 0.044 0.000 0.983 227 R HN 0.311 nan 8.270 nan 0.000 0.450 228 L N 1.577 122.811 121.223 0.018 0.000 2.616 228 L HA 0.041 4.380 4.340 -0.001 0.000 0.229 228 L C 0.871 177.737 176.870 -0.006 0.000 1.110 228 L CA 0.136 54.978 54.840 0.003 0.000 0.884 228 L CB -0.046 42.011 42.059 -0.004 0.000 1.115 228 L HN 0.639 nan 8.230 nan 0.000 0.481 229 D N -0.311 120.084 120.400 -0.008 0.000 2.328 229 D HA 0.069 4.708 4.640 -0.001 0.000 0.221 229 D C 1.529 177.823 176.300 -0.009 0.000 1.072 229 D CA 0.590 54.581 54.000 -0.014 0.000 0.850 229 D CB 0.255 41.042 40.800 -0.021 0.000 0.922 229 D HN 0.170 nan 8.370 nan 0.000 0.516 230 G N 0.318 109.117 108.800 -0.002 0.000 2.189 230 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.267 230 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.267 230 G C 0.218 175.120 174.900 0.003 0.000 0.975 230 G CA 0.341 45.443 45.100 0.002 0.000 0.644 230 G HN 0.472 nan 8.290 nan 0.000 0.537 231 K N 0.587 120.984 120.400 -0.005 0.000 2.298 231 K HA 0.268 4.587 4.320 -0.001 0.000 0.280 231 K C -0.085 176.497 176.600 -0.030 0.000 1.032 231 K CA -0.451 55.825 56.287 -0.019 0.000 0.958 231 K CB 0.507 32.989 32.500 -0.031 0.000 0.978 231 K HN 0.138 nan 8.250 nan 0.000 0.472 232 N N 4.243 122.921 118.700 -0.038 0.000 2.589 232 N HA 0.099 4.838 4.740 -0.001 0.000 0.232 232 N C 0.484 175.890 175.510 -0.174 0.000 1.015 232 N CA -0.073 52.922 53.050 -0.091 0.000 0.931 232 N CB 0.564 39.066 38.487 0.025 0.000 1.150 232 N HN 0.549 nan 8.380 nan 0.000 0.512 233 L N 2.422 123.470 121.223 -0.291 0.000 2.217 233 L HA -0.071 4.268 4.340 -0.001 0.000 0.211 233 L C 1.962 178.709 176.870 -0.205 0.000 1.107 233 L CA 0.579 55.291 54.840 -0.212 0.000 0.783 233 L CB 0.000 41.934 42.059 -0.210 0.000 0.919 233 L HN 0.323 nan 8.230 nan 0.000 0.442 234 V N -0.521 119.143 119.914 -0.417 0.000 2.295 234 V HA -0.303 3.816 4.120 -0.001 0.000 0.246 234 V C 2.474 178.532 176.094 -0.060 0.000 1.049 234 V CA 1.693 63.790 62.300 -0.339 0.000 1.024 234 V CB -0.390 31.000 31.823 -0.722 0.000 0.648 234 V HN 0.385 nan 8.190 nan 0.000 0.447 235 Q N 0.054 119.817 119.800 -0.061 0.000 2.079 235 Q HA -0.176 4.163 4.340 -0.001 0.000 0.200 235 Q C 2.186 178.199 176.000 0.021 0.000 0.974 235 Q CA 1.759 57.571 55.803 0.015 0.000 0.840 235 Q CB -0.287 28.465 28.738 0.024 0.000 0.898 235 Q HN 0.689 nan 8.270 nan 0.000 0.430 236 E N -1.353 118.851 120.200 0.007 0.000 2.085 236 E HA -0.220 4.130 4.350 -0.001 0.000 0.194 236 E C 1.581 178.209 176.600 0.046 0.000 0.994 236 E CA 1.116 57.523 56.400 0.012 0.000 0.801 236 E CB -0.346 29.355 29.700 0.002 0.000 0.743 236 E HN 0.460 nan 8.360 nan 0.000 0.453 237 W N 1.509 122.747 121.300 -0.104 0.000 2.355 237 W HA -0.145 4.514 4.660 -0.002 0.000 0.309 237 W C 1.860 178.335 176.519 -0.073 0.000 1.206 237 W CA 1.268 58.559 57.345 -0.091 0.000 1.284 237 W CB -0.315 29.087 29.460 -0.097 0.000 1.145 237 W HN -0.050 nan 8.180 nan 0.000 0.502 238 L N 0.496 121.772 121.223 0.088 0.000 2.079 238 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 238 L C 2.641 179.415 176.870 -0.160 0.000 1.081 238 L CA 1.472 56.272 54.840 -0.067 0.000 0.752 238 L CB -1.314 40.806 42.059 0.102 0.000 0.896 238 L HN 0.114 nan 8.230 nan 0.000 0.433 239 A N -0.330 122.430 122.820 -0.099 0.000 2.015 239 A HA -0.171 4.148 4.320 -0.001 0.000 0.219 239 A C 2.237 179.730 177.584 -0.153 0.000 1.163 239 A CA 1.275 53.253 52.037 -0.098 0.000 0.646 239 A CB -0.263 18.705 19.000 -0.054 0.000 0.806 239 A HN 0.312 nan 8.150 nan 0.000 0.448 240 K N -0.427 119.840 120.400 -0.221 0.000 2.432 240 K HA -0.015 4.304 4.320 -0.001 0.000 0.196 240 K C -0.050 176.343 176.600 -0.344 0.000 1.038 240 K CA 0.530 56.664 56.287 -0.254 0.000 0.986 240 K CB 0.086 32.427 32.500 -0.265 0.000 0.782 240 K HN 0.584 nan 8.250 nan 0.000 0.485 241 R N 0.582 120.821 120.500 -0.435 0.000 2.533 241 R HA 0.231 4.570 4.340 -0.001 0.000 0.288 241 R C -0.971 175.131 176.300 -0.330 0.000 1.039 241 R CA -0.851 54.946 56.100 -0.506 0.000 0.909 241 R CB 1.180 30.905 30.300 -0.959 0.000 1.195 241 R HN -0.175 nan 8.270 nan 0.000 0.438 242 Q N 1.147 120.818 119.800 -0.215 0.000 2.261 242 Q HA 0.290 4.629 4.340 -0.001 0.000 0.252 242 Q C 0.714 176.672 176.000 -0.071 0.000 0.915 242 Q CA 1.395 57.129 55.803 -0.115 0.000 0.915 242 Q CB 1.412 30.107 28.738 -0.071 0.000 1.204 242 Q HN 0.965 nan 8.270 nan 0.000 0.421 243 G N 2.339 111.124 108.800 -0.025 0.000 2.175 243 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.244 243 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.244 243 G C 0.088 175.021 174.900 0.055 0.000 0.982 243 G CA 0.091 45.211 45.100 0.032 0.000 0.641 243 G HN 0.899 nan 8.290 nan 0.000 0.527 244 A N 0.201 123.008 122.820 -0.021 0.000 2.363 244 A HA 0.815 5.134 4.320 -0.001 0.000 0.270 244 A C 0.560 178.223 177.584 0.132 0.000 1.121 244 A CA 0.171 52.198 52.037 -0.016 0.000 0.800 244 A CB 0.507 19.290 19.000 -0.361 0.000 1.052 244 A HN 0.484 nan 8.150 nan 0.000 0.493 245 R N 0.529 121.199 120.500 0.284 0.000 2.673 245 R HA 0.408 4.747 4.340 -0.001 0.000 0.281 245 R C -2.017 174.540 176.300 0.427 0.000 0.991 245 R CA -0.596 55.680 56.100 0.293 0.000 0.896 245 R CB 2.059 32.468 30.300 0.181 0.000 1.201 245 R HN 0.782 nan 8.270 nan 0.000 0.457 246 Y N 3.409 123.849 120.300 0.233 0.000 2.352 246 Y HA 0.524 5.074 4.550 -0.001 0.000 0.339 246 Y C -0.910 175.067 175.900 0.129 0.000 0.992 246 Y CA -0.664 57.547 58.100 0.186 0.000 1.100 246 Y CB 1.366 39.957 38.460 0.219 0.000 1.192 246 Y HN 0.325 nan 8.280 nan 0.000 0.458 247 V N 4.185 123.744 119.914 -0.591 0.000 2.962 247 V HA 0.500 4.619 4.120 -0.001 0.000 0.313 247 V C -0.758 174.873 176.094 -0.773 0.000 1.099 247 V CA -0.805 61.166 62.300 -0.549 0.000 0.971 247 V CB 2.024 33.714 31.823 -0.222 0.000 1.028 247 V HN 1.045 nan 8.190 nan 0.000 0.430 248 W N 2.843 123.838 121.300 -0.509 0.000 2.714 248 W HA 0.437 5.097 4.660 -0.001 0.000 0.353 248 W C -0.288 176.270 176.519 0.065 0.000 0.999 248 W CA 0.243 57.368 57.345 -0.367 0.000 1.629 248 W CB -0.536 28.781 29.460 -0.238 0.000 1.106 248 W HN 0.878 nan 8.180 nan 0.000 0.545 249 N N -0.233 118.361 118.700 -0.175 0.000 2.647 249 N HA 0.273 5.012 4.740 -0.001 0.000 0.266 249 N C 0.477 175.985 175.510 -0.004 0.000 1.373 249 N CA -0.821 52.191 53.050 -0.064 0.000 0.807 249 N CB 1.317 39.478 38.487 -0.543 0.000 1.513 249 N HN -0.177 nan 8.380 nan 0.000 0.505 250 R N -0.476 119.948 120.500 -0.125 0.000 2.081 250 R HA -0.078 4.261 4.340 -0.001 0.000 0.235 250 R C 0.797 177.018 176.300 -0.130 0.000 1.131 250 R CA 2.200 58.187 56.100 -0.189 0.000 0.960 250 R CB -0.642 29.541 30.300 -0.196 0.000 0.856 250 R HN 0.754 nan 8.270 nan 0.000 0.436 251 T N 1.143 115.613 114.554 -0.140 0.000 2.720 251 T HA -0.111 4.239 4.350 -0.001 0.000 0.268 251 T C 1.468 176.102 174.700 -0.110 0.000 1.037 251 T CA 1.357 63.385 62.100 -0.119 0.000 1.144 251 T CB -0.125 68.668 68.868 -0.126 0.000 0.864 251 T HN 0.282 nan 8.240 nan 0.000 0.444 252 E N 0.748 120.858 120.200 -0.150 0.000 2.106 252 E HA -0.009 4.341 4.350 -0.001 0.000 0.192 252 E C 2.167 178.739 176.600 -0.048 0.000 0.984 252 E CA 0.420 56.745 56.400 -0.126 0.000 0.806 252 E CB -0.545 29.021 29.700 -0.223 0.000 0.750 252 E HN 0.315 nan 8.360 nan 0.000 0.458 253 L N 0.656 121.880 121.223 0.002 0.000 1.989 253 L HA -0.168 4.172 4.340 -0.001 0.000 0.211 253 L C 2.280 179.157 176.870 0.011 0.000 1.071 253 L CA 1.739 56.617 54.840 0.064 0.000 0.749 253 L CB -0.567 41.561 42.059 0.115 0.000 0.890 253 L HN 0.087 nan 8.230 nan 0.000 0.431 254 M N -1.139 118.444 119.600 -0.027 0.000 2.088 254 M HA -0.327 4.152 4.480 -0.001 0.000 0.256 254 M C 2.433 178.721 176.300 -0.019 0.000 1.071 254 M CA 2.360 57.641 55.300 -0.031 0.000 1.097 254 M CB -0.650 31.922 32.600 -0.046 0.000 1.315 254 M HN 0.446 nan 8.290 nan 0.000 0.406 255 Q N -0.098 119.688 119.800 -0.023 0.000 2.061 255 Q HA -0.203 4.136 4.340 -0.001 0.000 0.204 255 Q C 2.081 178.081 176.000 0.001 0.000 0.984 255 Q CA 2.006 57.800 55.803 -0.015 0.000 0.846 255 Q CB -0.123 28.602 28.738 -0.023 0.000 0.902 255 Q HN 0.576 nan 8.270 nan 0.000 0.421 256 A N 0.547 123.373 122.820 0.010 0.000 1.902 256 A HA -0.208 4.111 4.320 -0.001 0.000 0.217 256 A C 2.174 179.776 177.584 0.030 0.000 1.181 256 A CA 2.025 54.080 52.037 0.030 0.000 0.623 256 A CB -0.872 18.157 19.000 0.049 0.000 0.818 256 A HN 0.603 nan 8.150 nan 0.000 0.443 257 S N -0.510 115.203 115.700 0.023 0.000 2.442 257 S HA 0.005 4.474 4.470 -0.001 0.000 0.236 257 S C 1.487 176.091 174.600 0.005 0.000 1.007 257 S CA 1.393 59.602 58.200 0.015 0.000 0.965 257 S CB -0.430 62.774 63.200 0.008 0.000 0.773 257 S HN 0.437 nan 8.310 nan 0.000 0.504 258 L N 0.740 121.965 121.223 0.004 0.000 2.640 258 L HA 0.335 4.674 4.340 -0.001 0.000 0.230 258 L C 0.365 177.239 176.870 0.006 0.000 1.123 258 L CA -0.094 54.747 54.840 0.002 0.000 0.900 258 L CB 0.033 42.090 42.059 -0.003 0.000 1.146 258 L HN 0.212 nan 8.230 nan 0.000 0.484 259 D N 1.524 121.931 120.400 0.012 0.000 2.316 259 D HA 0.104 4.744 4.640 -0.001 0.000 0.245 259 D C -1.438 174.873 176.300 0.019 0.000 1.171 259 D CA -2.102 51.908 54.000 0.016 0.000 0.856 259 D CB 1.667 42.480 40.800 0.022 0.000 1.090 259 D HN -0.084 nan 8.370 nan 0.000 0.476 260 P HA -0.149 nan 4.420 nan 0.000 0.219 260 P C 1.032 178.345 177.300 0.022 0.000 1.146 260 P CA 0.839 63.949 63.100 0.017 0.000 0.808 260 P CB 0.143 31.851 31.700 0.014 0.000 0.779 261 S N -1.422 114.293 115.700 0.025 0.000 2.562 261 S HA 0.052 4.521 4.470 -0.001 0.000 0.221 261 S C 0.848 175.473 174.600 0.042 0.000 0.975 261 S CA -0.205 58.013 58.200 0.029 0.000 0.918 261 S CB -0.934 62.282 63.200 0.025 0.000 0.772 261 S HN -0.106 nan 8.310 nan 0.000 0.531 262 V N 3.663 123.605 119.914 0.046 0.000 2.389 262 V HA 0.287 4.406 4.120 -0.001 0.000 0.264 262 V C 1.507 177.641 176.094 0.066 0.000 1.049 262 V CA 0.389 62.730 62.300 0.067 0.000 0.932 262 V CB 0.418 32.284 31.823 0.072 0.000 1.011 262 V HN 0.698 nan 8.190 nan 0.000 0.475 263 T N 0.617 115.227 114.554 0.093 0.000 3.015 263 T HA 0.183 4.532 4.350 -0.001 0.000 0.250 263 T C 0.440 175.124 174.700 -0.028 0.000 1.057 263 T CA 0.281 62.420 62.100 0.065 0.000 1.066 263 T CB 0.046 68.994 68.868 0.134 0.000 0.959 263 T HN 0.588 nan 8.240 nan 0.000 0.488 264 H N 0.122 119.229 119.070 0.062 0.000 2.689 264 H HA 0.727 5.282 4.556 -0.001 0.000 0.346 264 H C -1.591 173.937 175.328 0.333 0.000 1.037 264 H CA -0.852 55.287 56.048 0.151 0.000 1.234 264 H CB 1.860 31.562 29.762 -0.100 0.000 1.572 264 H HN 0.151 nan 8.280 nan 0.000 0.524 265 L N 3.642 125.162 121.223 0.496 0.000 2.406 265 L HA 0.497 4.836 4.340 -0.001 0.000 0.272 265 L C -1.316 175.719 176.870 0.275 0.000 0.980 265 L CA -0.564 54.505 54.840 0.382 0.000 0.831 265 L CB 1.459 43.633 42.059 0.193 0.000 1.253 265 L HN 0.759 nan 8.230 nan 0.000 0.406 266 M N 4.602 124.294 119.600 0.154 0.000 2.125 266 M HA 0.709 5.188 4.480 -0.001 0.000 0.321 266 M C -0.654 175.586 176.300 -0.101 0.000 0.983 266 M CA -0.385 54.808 55.300 -0.178 0.000 0.934 266 M CB 1.220 33.411 32.600 -0.681 0.000 1.542 266 M HN 0.789 nan 8.290 nan 0.000 0.424 267 G N 6.594 115.262 108.800 -0.220 0.000 2.533 267 G HA2 0.624 4.583 3.960 -0.001 0.000 0.310 267 G HA3 0.624 4.583 3.960 -0.001 0.000 0.310 267 G C -1.412 172.953 174.900 -0.891 0.000 1.266 267 G CA -0.534 44.181 45.100 -0.643 0.000 0.967 267 G HN 0.730 nan 8.290 nan 0.000 0.493 268 L N 2.712 123.457 121.223 -0.796 0.000 2.316 268 L HA 0.420 4.759 4.340 -0.001 0.000 0.280 268 L C -0.061 176.578 176.870 -0.386 0.000 1.006 268 L CA -0.703 53.901 54.840 -0.393 0.000 0.836 268 L CB 1.510 43.592 42.059 0.038 0.000 1.221 268 L HN 0.587 nan 8.230 nan 0.000 0.418 269 F N -0.116 119.920 119.950 0.143 0.000 2.731 269 F HA 0.276 4.802 4.527 -0.001 0.000 0.298 269 F C 0.986 176.896 175.800 0.184 0.000 1.106 269 F CA -0.035 58.056 58.000 0.152 0.000 1.329 269 F CB 0.759 39.815 39.000 0.092 0.000 1.100 269 F HN 0.403 nan 8.300 nan 0.000 0.592 270 E N -0.720 119.649 120.200 0.281 0.000 2.429 270 E HA 0.258 4.607 4.350 -0.001 0.000 0.276 270 E C -2.010 174.682 176.600 0.155 0.000 0.953 270 E CA -1.886 54.665 56.400 0.252 0.000 0.787 270 E CB 1.603 31.423 29.700 0.200 0.000 1.307 270 E HN -0.262 nan 8.360 nan 0.000 0.458 271 P HA -0.109 nan 4.420 nan 0.000 0.215 271 P C 0.526 177.766 177.300 -0.101 0.000 1.157 271 P CA 1.656 64.755 63.100 -0.002 0.000 0.868 271 P CB 0.401 32.084 31.700 -0.028 0.000 0.788 272 G N -1.532 107.228 108.800 -0.065 0.000 3.310 272 G HA2 0.172 4.131 3.960 -0.001 0.000 0.176 272 G HA3 0.172 4.131 3.960 -0.001 0.000 0.176 272 G C -0.658 174.253 174.900 0.019 0.000 1.307 272 G CA -0.223 44.843 45.100 -0.057 0.000 0.935 272 G HN -0.066 nan 8.290 nan 0.000 0.628 273 D N 1.118 121.523 120.400 0.009 0.000 2.400 273 D HA 0.197 4.836 4.640 -0.001 0.000 0.238 273 D C 0.893 177.202 176.300 0.016 0.000 1.157 273 D CA 0.255 54.261 54.000 0.009 0.000 0.889 273 D CB 0.594 41.391 40.800 -0.005 0.000 1.199 273 D HN -0.008 nan 8.370 nan 0.000 0.436 274 M N 0.808 120.421 119.600 0.022 0.000 2.226 274 M HA 0.078 4.558 4.480 -0.001 0.000 0.324 274 M C 0.779 177.061 176.300 -0.030 0.000 1.112 274 M CA 0.003 55.329 55.300 0.044 0.000 1.176 274 M CB 0.171 32.811 32.600 0.066 0.000 1.430 274 M HN 0.037 nan 8.290 nan 0.000 0.462 275 K N 1.000 121.416 120.400 0.027 0.000 2.319 275 K HA 0.115 4.435 4.320 -0.001 0.000 0.265 275 K C -0.764 175.826 176.600 -0.016 0.000 1.000 275 K CA -0.002 56.306 56.287 0.035 0.000 0.943 275 K CB 0.204 32.796 32.500 0.153 0.000 0.950 275 K HN 0.370 nan 8.250 nan 0.000 0.485 276 Y N 1.325 121.655 120.300 0.050 0.000 2.805 276 Y HA -0.191 4.359 4.550 -0.001 0.000 0.337 276 Y C 1.789 177.647 175.900 -0.071 0.000 1.252 276 Y CA 0.154 58.215 58.100 -0.064 0.000 1.515 276 Y CB 0.292 38.619 38.460 -0.222 0.000 1.305 276 Y HN 0.723 nan 8.280 nan 0.000 0.600 277 E N 2.659 122.923 120.200 0.107 0.000 2.130 277 E HA -0.255 4.094 4.350 -0.001 0.000 0.196 277 E C 1.599 178.221 176.600 0.036 0.000 0.998 277 E CA 2.229 58.659 56.400 0.049 0.000 0.806 277 E CB -0.419 29.296 29.700 0.025 0.000 0.738 277 E HN 0.722 nan 8.360 nan 0.000 0.459 278 I N -2.467 118.094 120.570 -0.016 0.000 2.756 278 I HA -0.135 4.034 4.170 -0.001 0.000 0.262 278 I C 1.284 177.446 176.117 0.075 0.000 1.225 278 I CA 1.553 62.842 61.300 -0.017 0.000 1.472 278 I CB -0.485 37.483 38.000 -0.054 0.000 1.094 278 I HN 0.111 nan 8.210 nan 0.000 0.454 279 H N 0.309 119.458 119.070 0.131 0.000 2.652 279 H HA 0.317 4.872 4.556 -0.001 0.000 0.274 279 H C 0.673 176.055 175.328 0.090 0.000 1.021 279 H CA -0.675 55.439 56.048 0.110 0.000 1.187 279 H CB 0.352 30.198 29.762 0.140 0.000 1.505 279 H HN 0.216 nan 8.280 nan 0.000 0.530 280 R N 2.299 122.901 120.500 0.169 0.000 2.537 280 R HA -0.052 4.288 4.340 -0.001 0.000 0.280 280 R C -0.535 175.818 176.300 0.088 0.000 1.058 280 R CA -0.171 55.996 56.100 0.110 0.000 1.057 280 R CB 0.381 30.716 30.300 0.059 0.000 0.973 280 R HN 0.125 nan 8.270 nan 0.000 0.438 281 D N 2.554 123.002 120.400 0.081 0.000 2.365 281 D HA -0.008 4.631 4.640 -0.001 0.000 0.237 281 D C 0.537 176.850 176.300 0.021 0.000 1.190 281 D CA 0.011 54.045 54.000 0.057 0.000 0.867 281 D CB 1.088 41.930 40.800 0.070 0.000 1.050 281 D HN 0.634 nan 8.370 nan 0.000 0.491 282 S N 1.452 117.158 115.700 0.009 0.000 2.555 282 S HA -0.137 4.332 4.470 -0.001 0.000 0.230 282 S C 1.696 176.277 174.600 -0.031 0.000 0.978 282 S CA 1.001 59.191 58.200 -0.017 0.000 0.934 282 S CB -0.270 62.923 63.200 -0.012 0.000 0.766 282 S HN 0.561 nan 8.310 nan 0.000 0.533 283 T N -0.247 114.294 114.554 -0.021 0.000 3.009 283 T HA 0.278 4.627 4.350 -0.001 0.000 0.258 283 T C 1.608 176.279 174.700 -0.048 0.000 1.063 283 T CA 0.213 62.293 62.100 -0.033 0.000 1.139 283 T CB -0.459 68.397 68.868 -0.020 0.000 0.890 283 T HN 0.375 nan 8.240 nan 0.000 0.471 284 L N 0.191 121.397 121.223 -0.028 0.000 2.408 284 L HA 0.411 4.750 4.340 -0.001 0.000 0.215 284 L C -0.196 176.653 176.870 -0.036 0.000 1.081 284 L CA 0.295 55.122 54.840 -0.021 0.000 0.840 284 L CB 0.174 42.257 42.059 0.039 0.000 1.002 284 L HN 0.193 nan 8.230 nan 0.000 0.468 285 D N 0.367 120.731 120.400 -0.060 0.000 2.505 285 D HA 0.280 4.919 4.640 -0.001 0.000 0.249 285 D C -2.515 173.646 176.300 -0.231 0.000 1.082 285 D CA -1.467 52.450 54.000 -0.139 0.000 0.839 285 D CB 1.861 42.648 40.800 -0.023 0.000 1.317 285 D HN -0.150 nan 8.370 nan 0.000 0.497 286 P HA 0.100 nan 4.420 nan 0.000 0.279 286 P C -0.247 176.921 177.300 -0.220 0.000 1.239 286 P CA -0.525 62.365 63.100 -0.350 0.000 0.789 286 P CB 1.129 32.513 31.700 -0.528 0.000 0.933 287 S N 2.684 118.308 115.700 -0.127 0.000 2.608 287 S HA 0.022 4.491 4.470 -0.001 0.000 0.261 287 S C 1.363 175.931 174.600 -0.053 0.000 1.314 287 S CA -0.511 57.648 58.200 -0.068 0.000 0.992 287 S CB -0.107 63.067 63.200 -0.044 0.000 0.935 287 S HN 0.357 nan 8.310 nan 0.000 0.564 288 L N 1.072 122.289 121.223 -0.010 0.000 2.079 288 L HA -0.059 4.281 4.340 -0.001 0.000 0.210 288 L C 2.499 179.382 176.870 0.021 0.000 1.081 288 L CA 2.185 57.041 54.840 0.026 0.000 0.752 288 L CB -0.935 41.164 42.059 0.066 0.000 0.896 288 L HN 0.962 nan 8.230 nan 0.000 0.433 289 M N -1.000 118.599 119.600 -0.001 0.000 2.086 289 M HA -0.238 4.242 4.480 -0.001 0.000 0.261 289 M C 2.050 178.340 176.300 -0.017 0.000 1.067 289 M CA 1.951 57.244 55.300 -0.011 0.000 1.116 289 M CB -0.144 32.438 32.600 -0.031 0.000 1.348 289 M HN 0.337 nan 8.290 nan 0.000 0.407 290 E N 0.081 120.258 120.200 -0.039 0.000 2.077 290 E HA -0.216 4.133 4.350 -0.001 0.000 0.193 290 E C 2.004 178.575 176.600 -0.049 0.000 0.989 290 E CA 1.794 58.161 56.400 -0.055 0.000 0.800 290 E CB -0.242 29.404 29.700 -0.089 0.000 0.746 290 E HN 0.606 nan 8.360 nan 0.000 0.452 291 M N 0.419 119.991 119.600 -0.047 0.000 2.159 291 M HA -0.150 4.329 4.480 -0.001 0.000 0.263 291 M C 2.369 178.686 176.300 0.029 0.000 1.063 291 M CA 1.346 56.644 55.300 -0.002 0.000 1.110 291 M CB -0.420 32.201 32.600 0.035 0.000 1.374 291 M HN 0.100 nan 8.290 nan 0.000 0.411 292 T N -0.040 114.534 114.554 0.032 0.000 2.684 292 T HA -0.221 4.128 4.350 -0.001 0.000 0.267 292 T C 1.623 176.328 174.700 0.008 0.000 1.036 292 T CA 1.847 63.972 62.100 0.041 0.000 1.148 292 T CB -0.315 68.602 68.868 0.082 0.000 0.863 292 T HN 0.497 nan 8.240 nan 0.000 0.436 293 E N 0.922 121.121 120.200 -0.001 0.000 2.077 293 E HA -0.125 4.224 4.350 -0.001 0.000 0.193 293 E C 2.383 178.967 176.600 -0.027 0.000 0.989 293 E CA 1.060 57.450 56.400 -0.017 0.000 0.800 293 E CB -0.292 29.397 29.700 -0.018 0.000 0.746 293 E HN 0.457 nan 8.360 nan 0.000 0.452 294 A N 1.271 124.081 122.820 -0.017 0.000 1.883 294 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 294 A C 2.465 180.040 177.584 -0.015 0.000 1.186 294 A CA 2.215 54.248 52.037 -0.007 0.000 0.624 294 A CB -1.119 17.891 19.000 0.017 0.000 0.822 294 A HN 0.452 nan 8.150 nan 0.000 0.444 295 A N -0.430 122.381 122.820 -0.015 0.000 1.883 295 A HA -0.096 4.223 4.320 -0.001 0.000 0.217 295 A C 2.213 179.706 177.584 -0.151 0.000 1.186 295 A CA 1.635 53.643 52.037 -0.048 0.000 0.624 295 A CB -0.680 18.306 19.000 -0.023 0.000 0.822 295 A HN 0.488 nan 8.150 nan 0.000 0.444 296 L N -1.214 119.907 121.223 -0.171 0.000 2.083 296 L HA -0.209 4.130 4.340 -0.001 0.000 0.209 296 L C 2.872 179.628 176.870 -0.190 0.000 1.083 296 L CA 1.471 56.149 54.840 -0.269 0.000 0.752 296 L CB -0.457 41.504 42.059 -0.163 0.000 0.899 296 L HN 0.374 nan 8.230 nan 0.000 0.433 297 R N -0.200 120.240 120.500 -0.099 0.000 2.096 297 R HA -0.223 4.117 4.340 -0.001 0.000 0.240 297 R C 2.273 178.537 176.300 -0.060 0.000 1.139 297 R CA 1.661 57.725 56.100 -0.059 0.000 0.952 297 R CB -0.447 29.834 30.300 -0.032 0.000 0.854 297 R HN 0.329 nan 8.270 nan 0.000 0.436 298 L N 0.481 121.663 121.223 -0.069 0.000 2.068 298 L HA -0.062 4.278 4.340 -0.001 0.000 0.204 298 L C 2.050 178.871 176.870 -0.082 0.000 1.076 298 L CA 1.025 55.834 54.840 -0.053 0.000 0.753 298 L CB -0.039 42.002 42.059 -0.030 0.000 0.910 298 L HN 0.173 nan 8.230 nan 0.000 0.439 299 L N -0.227 120.894 121.223 -0.170 0.000 2.083 299 L HA -0.182 4.157 4.340 -0.001 0.000 0.209 299 L C 2.735 179.541 176.870 -0.106 0.000 1.083 299 L CA 1.418 56.129 54.840 -0.215 0.000 0.752 299 L CB -0.708 41.017 42.059 -0.557 0.000 0.899 299 L HN 0.448 nan 8.230 nan 0.000 0.433 300 S N -0.473 115.138 115.700 -0.149 0.000 2.507 300 S HA -0.119 4.351 4.470 -0.001 0.000 0.235 300 S C 1.915 176.572 174.600 0.095 0.000 0.988 300 S CA 0.413 58.657 58.200 0.074 0.000 0.944 300 S CB -0.313 62.912 63.200 0.041 0.000 0.762 300 S HN 0.392 nan 8.310 nan 0.000 0.526 301 R N 1.433 121.961 120.500 0.046 0.000 2.148 301 R HA 0.116 4.455 4.340 -0.001 0.000 0.223 301 R C 0.820 177.158 176.300 0.062 0.000 1.088 301 R CA 0.662 56.789 56.100 0.044 0.000 0.985 301 R CB -0.373 29.940 30.300 0.022 0.000 0.880 301 R HN 0.592 nan 8.270 nan 0.000 0.451 302 N N 1.909 120.660 118.700 0.086 0.000 2.420 302 N HA 0.018 4.757 4.740 -0.001 0.000 0.262 302 N C -1.677 173.888 175.510 0.092 0.000 1.144 302 N CA -1.355 51.747 53.050 0.087 0.000 0.952 302 N CB 1.065 39.616 38.487 0.106 0.000 1.081 302 N HN -0.099 nan 8.380 nan 0.000 0.480 303 P HA -0.143 nan 4.420 nan 0.000 0.222 303 P C 0.355 177.683 177.300 0.045 0.000 1.147 303 P CA 1.120 64.251 63.100 0.052 0.000 0.790 303 P CB 0.208 31.930 31.700 0.037 0.000 0.780 304 R N -0.508 120.022 120.500 0.049 0.000 2.313 304 R HA 0.290 4.629 4.340 -0.001 0.000 0.199 304 R C 1.212 177.532 176.300 0.034 0.000 0.958 304 R CA 0.532 56.654 56.100 0.037 0.000 1.047 304 R CB -0.261 30.062 30.300 0.039 0.000 0.955 304 R HN 0.229 nan 8.270 nan 0.000 0.481 305 G N 1.082 109.919 108.800 0.061 0.000 2.610 305 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.304 305 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.304 305 G C -0.683 174.304 174.900 0.145 0.000 1.309 305 G CA -0.427 44.688 45.100 0.026 0.000 0.906 305 G HN 0.250 nan 8.290 nan 0.000 0.521 306 F N -2.601 117.389 119.950 0.065 0.000 2.662 306 F HA 0.854 5.380 4.527 -0.002 0.000 0.312 306 F C -1.077 174.807 175.800 0.139 0.000 1.113 306 F CA -2.148 55.910 58.000 0.096 0.000 0.951 306 F CB 1.567 40.609 39.000 0.069 0.000 1.344 306 F HN 0.847 nan 8.300 nan 0.000 0.462 307 F N 3.453 123.583 119.950 0.301 0.000 2.467 307 F HA 0.781 5.308 4.527 -0.001 0.000 0.336 307 F C -1.833 174.178 175.800 0.352 0.000 1.123 307 F CA -1.262 56.878 58.000 0.234 0.000 0.964 307 F CB 1.691 40.778 39.000 0.145 0.000 1.136 307 F HN 0.679 nan 8.300 nan 0.000 0.447 308 L N 8.055 129.275 121.223 -0.005 0.000 2.381 308 L HA 0.538 4.877 4.340 -0.001 0.000 0.274 308 L C -2.045 174.737 176.870 -0.147 0.000 0.988 308 L CA -0.663 54.221 54.840 0.073 0.000 0.824 308 L CB 1.428 43.533 42.059 0.076 0.000 1.263 308 L HN 0.565 nan 8.230 nan 0.000 0.410 309 F N 6.051 126.020 119.950 0.032 0.000 2.404 309 F HA 0.742 5.268 4.527 -0.001 0.000 0.354 309 F C -1.096 174.736 175.800 0.055 0.000 1.122 309 F CA -0.494 57.550 58.000 0.074 0.000 1.080 309 F CB 1.311 40.503 39.000 0.319 0.000 1.131 309 F HN 0.223 nan 8.300 nan 0.000 0.471 310 V N 6.353 125.971 119.914 -0.493 0.000 2.443 310 V HA 0.300 4.420 4.120 -0.001 0.000 0.293 310 V C -0.671 175.221 176.094 -0.337 0.000 1.021 310 V CA -0.783 61.366 62.300 -0.252 0.000 0.848 310 V CB 1.465 33.274 31.823 -0.023 0.000 0.998 310 V HN 0.776 nan 8.190 nan 0.000 0.424 311 E N 3.307 123.334 120.200 -0.287 0.000 2.158 311 E HA 0.520 4.869 4.350 -0.001 0.000 0.271 311 E C 0.417 176.965 176.600 -0.087 0.000 0.911 311 E CA -0.634 55.620 56.400 -0.243 0.000 0.767 311 E CB 1.791 31.401 29.700 -0.148 0.000 1.120 311 E HN 0.823 nan 8.360 nan 0.000 0.405 312 G N 3.096 111.705 108.800 -0.318 0.000 2.916 312 G HA2 0.149 4.109 3.960 -0.001 0.000 0.280 312 G HA3 0.149 4.109 3.960 -0.001 0.000 0.280 312 G C 0.746 175.434 174.900 -0.353 0.000 0.758 312 G CA 0.057 44.931 45.100 -0.375 0.000 1.993 312 G HN 0.628 nan 8.290 nan 0.000 0.564 313 G N 0.990 109.663 108.800 -0.213 0.000 2.572 313 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.216 313 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.216 313 G C 1.551 176.209 174.900 -0.403 0.000 1.133 313 G CA -0.120 44.844 45.100 -0.227 0.000 0.791 313 G HN 0.549 nan 8.290 nan 0.000 0.538 314 R N -0.431 119.860 120.500 -0.349 0.000 2.397 314 R HA 0.331 4.670 4.340 -0.001 0.000 0.241 314 R C 1.928 178.173 176.300 -0.091 0.000 0.914 314 R CA -0.323 55.557 56.100 -0.367 0.000 1.071 314 R CB 0.053 30.172 30.300 -0.302 0.000 1.116 314 R HN 0.338 nan 8.270 nan 0.000 0.524 315 I N 1.484 121.958 120.570 -0.159 0.000 2.113 315 I HA -0.377 3.793 4.170 -0.001 0.000 0.242 315 I C 2.164 178.169 176.117 -0.188 0.000 1.064 315 I CA 1.926 63.105 61.300 -0.202 0.000 1.320 315 I CB -0.357 37.496 38.000 -0.245 0.000 1.028 315 I HN 0.129 nan 8.210 nan 0.000 0.406 316 D N 0.232 120.606 120.400 -0.044 0.000 2.106 316 D HA -0.253 4.386 4.640 -0.001 0.000 0.191 316 D C 2.114 178.587 176.300 0.288 0.000 0.997 316 D CA 1.893 56.011 54.000 0.197 0.000 0.834 316 D CB -0.133 40.905 40.800 0.396 0.000 0.956 316 D HN 0.461 nan 8.370 nan 0.000 0.448 317 H N -1.107 118.100 119.070 0.230 0.000 2.353 317 H HA -0.035 4.521 4.556 -0.001 0.000 0.300 317 H C 2.182 177.654 175.328 0.240 0.000 1.090 317 H CA 0.637 56.869 56.048 0.306 0.000 1.327 317 H CB -0.211 29.677 29.762 0.211 0.000 1.383 317 H HN 0.286 nan 8.280 nan 0.000 0.508 318 G N 0.727 109.682 108.800 0.258 0.000 2.459 318 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.217 318 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.217 318 G C 1.288 176.123 174.900 -0.108 0.000 1.183 318 G CA 1.012 46.094 45.100 -0.029 0.000 0.776 318 G HN 0.430 nan 8.290 nan 0.000 0.552 319 H N 0.131 119.071 119.070 -0.217 0.000 2.353 319 H HA -0.042 4.513 4.556 -0.001 0.000 0.300 319 H C 2.465 177.591 175.328 -0.337 0.000 1.090 319 H CA 1.349 57.168 56.048 -0.382 0.000 1.327 319 H CB -0.457 28.740 29.762 -0.941 0.000 1.383 319 H HN 0.374 nan 8.280 nan 0.000 0.508 320 H N 0.876 119.993 119.070 0.078 0.000 2.387 320 H HA -0.077 4.478 4.556 -0.001 0.000 0.299 320 H C 1.662 176.982 175.328 -0.014 0.000 1.099 320 H CA 1.081 57.194 56.048 0.108 0.000 1.315 320 H CB 0.080 29.955 29.762 0.187 0.000 1.380 320 H HN 0.552 nan 8.280 nan 0.000 0.513 321 E N 0.315 120.566 120.200 0.085 0.000 2.502 321 E HA 0.003 4.352 4.350 -0.001 0.000 0.194 321 E C 0.384 176.914 176.600 -0.118 0.000 1.062 321 E CA 0.199 56.603 56.400 0.006 0.000 0.867 321 E CB 0.276 29.995 29.700 0.031 0.000 0.888 321 E HN 0.103 nan 8.360 nan 0.000 0.510 322 S N 0.667 116.188 115.700 -0.298 0.000 3.581 322 S HA -0.216 4.253 4.470 -0.001 0.000 0.354 322 S C -0.128 174.410 174.600 -0.103 0.000 1.059 322 S CA 0.632 58.466 58.200 -0.610 0.000 1.060 322 S CB -0.984 61.875 63.200 -0.569 0.000 0.908 322 S HN 0.325 nan 8.310 nan 0.000 0.475 323 R N 0.257 120.746 120.500 -0.020 0.000 2.423 323 R HA 0.482 4.821 4.340 -0.001 0.000 0.293 323 R C 1.329 177.693 176.300 0.107 0.000 1.196 323 R CA 0.303 56.428 56.100 0.042 0.000 1.262 323 R CB 0.506 30.765 30.300 -0.068 0.000 1.116 323 R HN 0.316 nan 8.270 nan 0.000 0.566 324 A N 1.981 125.001 122.820 0.333 0.000 2.024 324 A HA -0.245 4.075 4.320 -0.001 0.000 0.220 324 A C 1.680 179.420 177.584 0.260 0.000 1.164 324 A CA 1.151 53.377 52.037 0.316 0.000 0.643 324 A CB -0.391 18.966 19.000 0.595 0.000 0.806 324 A HN 0.772 nan 8.150 nan 0.000 0.451 325 Y N 0.446 120.748 120.300 0.003 0.000 2.165 325 Y HA -0.236 4.313 4.550 -0.002 0.000 0.286 325 Y C 2.526 178.299 175.900 -0.211 0.000 1.155 325 Y CA 2.199 60.097 58.100 -0.338 0.000 1.164 325 Y CB -0.162 37.894 38.460 -0.673 0.000 0.978 325 Y HN 0.296 nan 8.280 nan 0.000 0.513 326 R N -0.512 119.930 120.500 -0.097 0.000 2.062 326 R HA -0.062 4.278 4.340 -0.001 0.000 0.229 326 R C 2.571 178.714 176.300 -0.262 0.000 1.128 326 R CA 0.989 56.903 56.100 -0.310 0.000 0.960 326 R CB -0.660 29.230 30.300 -0.684 0.000 0.855 326 R HN 0.372 nan 8.270 nan 0.000 0.432 327 A N 1.439 124.073 122.820 -0.310 0.000 1.892 327 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 327 A C 2.157 179.528 177.584 -0.355 0.000 1.188 327 A CA 1.388 53.123 52.037 -0.504 0.000 0.631 327 A CB -0.593 17.691 19.000 -1.192 0.000 0.822 327 A HN 0.179 nan 8.150 nan 0.000 0.447 328 L N -0.409 120.669 121.223 -0.241 0.000 2.131 328 L HA -0.101 4.238 4.340 -0.001 0.000 0.206 328 L C 2.958 179.744 176.870 -0.140 0.000 1.087 328 L CA 1.600 56.348 54.840 -0.154 0.000 0.767 328 L CB -1.073 40.954 42.059 -0.054 0.000 0.917 328 L HN 0.637 nan 8.230 nan 0.000 0.441 329 T N -3.120 111.322 114.554 -0.188 0.000 2.788 329 T HA -0.144 4.205 4.350 -0.001 0.000 0.268 329 T C 1.702 176.346 174.700 -0.093 0.000 1.044 329 T CA 0.853 62.847 62.100 -0.176 0.000 1.139 329 T CB -0.224 68.496 68.868 -0.247 0.000 0.867 329 T HN 0.193 nan 8.240 nan 0.000 0.454 330 E N 1.241 121.394 120.200 -0.079 0.000 2.110 330 E HA -0.087 4.262 4.350 -0.001 0.000 0.193 330 E C 2.488 179.075 176.600 -0.021 0.000 0.988 330 E CA 1.598 57.979 56.400 -0.032 0.000 0.804 330 E CB -0.917 28.767 29.700 -0.026 0.000 0.745 330 E HN 0.615 nan 8.360 nan 0.000 0.458 331 T N 1.662 116.183 114.554 -0.056 0.000 2.746 331 T HA -0.078 4.271 4.350 -0.001 0.000 0.267 331 T C 2.152 176.875 174.700 0.038 0.000 1.039 331 T CA 0.875 62.980 62.100 0.008 0.000 1.142 331 T CB -0.191 68.653 68.868 -0.040 0.000 0.866 331 T HN 0.103 nan 8.240 nan 0.000 0.444 332 I N 0.652 121.204 120.570 -0.029 0.000 2.226 332 I HA -0.174 3.995 4.170 -0.001 0.000 0.245 332 I C 2.509 178.601 176.117 -0.042 0.000 1.100 332 I CA 1.101 62.371 61.300 -0.052 0.000 1.374 332 I CB -0.309 37.649 38.000 -0.071 0.000 1.057 332 I HN 0.214 nan 8.210 nan 0.000 0.413 333 M N 0.627 120.219 119.600 -0.015 0.000 2.159 333 M HA -0.249 4.230 4.480 -0.001 0.000 0.263 333 M C 2.022 178.338 176.300 0.026 0.000 1.063 333 M CA 1.826 57.124 55.300 -0.004 0.000 1.110 333 M CB -0.751 31.854 32.600 0.009 0.000 1.374 333 M HN 0.221 nan 8.290 nan 0.000 0.411 334 F N 0.707 120.596 119.950 -0.101 0.000 2.102 334 F HA -0.184 4.342 4.527 -0.001 0.000 0.298 334 F C 1.893 177.589 175.800 -0.174 0.000 1.105 334 F CA 2.431 60.362 58.000 -0.115 0.000 1.239 334 F CB -1.012 37.919 39.000 -0.116 0.000 0.991 334 F HN 0.348 nan 8.300 nan 0.000 0.474 335 D N -0.091 120.144 120.400 -0.275 0.000 2.144 335 D HA -0.189 4.451 4.640 -0.001 0.000 0.199 335 D C 1.764 177.863 176.300 -0.335 0.000 0.984 335 D CA 1.626 55.378 54.000 -0.414 0.000 0.834 335 D CB -0.256 40.389 40.800 -0.259 0.000 0.955 335 D HN 0.264 nan 8.370 nan 0.000 0.465 336 D N -0.338 119.939 120.400 -0.206 0.000 2.144 336 D HA -0.109 4.530 4.640 -0.001 0.000 0.199 336 D C 1.947 178.147 176.300 -0.166 0.000 0.984 336 D CA 1.241 55.149 54.000 -0.154 0.000 0.834 336 D CB -0.409 40.334 40.800 -0.094 0.000 0.955 336 D HN 0.311 nan 8.370 nan 0.000 0.465 337 A N 0.584 123.295 122.820 -0.181 0.000 1.898 337 A HA -0.100 4.220 4.320 -0.001 0.000 0.216 337 A C 2.364 179.798 177.584 -0.249 0.000 1.181 337 A CA 0.715 52.672 52.037 -0.132 0.000 0.620 337 A CB -0.632 18.345 19.000 -0.037 0.000 0.819 337 A HN 0.171 nan 8.150 nan 0.000 0.442 338 I N -0.586 119.623 120.570 -0.602 0.000 2.163 338 I HA -0.282 3.887 4.170 -0.001 0.000 0.243 338 I C 2.574 178.429 176.117 -0.437 0.000 1.085 338 I CA 1.878 62.593 61.300 -0.976 0.000 1.347 338 I CB -0.328 36.952 38.000 -1.199 0.000 1.044 338 I HN 0.517 nan 8.210 nan 0.000 0.408 339 E N 0.848 120.869 120.200 -0.299 0.000 2.058 339 E HA -0.312 4.037 4.350 -0.001 0.000 0.194 339 E C 2.308 178.848 176.600 -0.100 0.000 0.997 339 E CA 1.365 57.669 56.400 -0.160 0.000 0.801 339 E CB 0.036 29.653 29.700 -0.139 0.000 0.746 339 E HN 0.138 nan 8.360 nan 0.000 0.450 340 R N 0.610 121.056 120.500 -0.090 0.000 2.073 340 R HA -0.074 4.265 4.340 -0.001 0.000 0.234 340 R C 2.048 178.351 176.300 0.006 0.000 1.134 340 R CA 1.808 57.886 56.100 -0.038 0.000 0.952 340 R CB -0.959 29.322 30.300 -0.032 0.000 0.850 340 R HN 0.233 nan 8.270 nan 0.000 0.433 341 A N -0.444 122.404 122.820 0.047 0.000 1.908 341 A HA -0.088 4.232 4.320 -0.001 0.000 0.218 341 A C 2.375 180.033 177.584 0.122 0.000 1.181 341 A CA 1.862 53.991 52.037 0.153 0.000 0.627 341 A CB -1.438 17.811 19.000 0.416 0.000 0.818 341 A HN 0.535 nan 8.150 nan 0.000 0.445 342 G N -1.154 107.679 108.800 0.055 0.000 2.432 342 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.219 342 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.219 342 G C 1.558 176.458 174.900 -0.000 0.000 1.135 342 G CA 0.956 46.063 45.100 0.011 0.000 0.767 342 G HN 0.662 nan 8.290 nan 0.000 0.550 343 Q N -0.669 119.129 119.800 -0.003 0.000 2.311 343 Q HA 0.218 4.557 4.340 -0.001 0.000 0.203 343 Q C 2.139 178.146 176.000 0.011 0.000 0.954 343 Q CA 0.402 56.202 55.803 -0.006 0.000 0.885 343 Q CB 0.026 28.756 28.738 -0.015 0.000 0.963 343 Q HN 0.436 nan 8.270 nan 0.000 0.471 344 L N 0.036 121.278 121.223 0.032 0.000 2.640 344 L HA 0.160 4.499 4.340 -0.001 0.000 0.230 344 L C 0.600 177.514 176.870 0.075 0.000 1.123 344 L CA 0.058 54.923 54.840 0.042 0.000 0.900 344 L CB 0.454 42.533 42.059 0.035 0.000 1.146 344 L HN 0.139 nan 8.230 nan 0.000 0.484 345 T N -4.592 110.014 114.554 0.086 0.000 2.883 345 T HA 0.451 4.801 4.350 -0.001 0.000 0.296 345 T C -0.484 174.249 174.700 0.057 0.000 1.117 345 T CA -0.673 61.494 62.100 0.111 0.000 1.006 345 T CB 2.380 71.358 68.868 0.183 0.000 1.191 345 T HN -0.132 nan 8.240 nan 0.000 0.508 346 S N -0.112 115.613 115.700 0.042 0.000 2.454 346 S HA 0.272 4.741 4.470 -0.001 0.000 0.306 346 S C 1.029 175.626 174.600 -0.004 0.000 1.100 346 S CA -0.504 57.703 58.200 0.011 0.000 1.087 346 S CB 0.951 64.157 63.200 0.010 0.000 1.019 346 S HN 0.923 nan 8.310 nan 0.000 0.480 347 E N 3.183 123.370 120.200 -0.022 0.000 2.478 347 E HA -0.080 4.269 4.350 -0.001 0.000 0.198 347 E C 0.564 177.158 176.600 -0.009 0.000 1.046 347 E CA 0.550 56.933 56.400 -0.029 0.000 0.870 347 E CB 0.015 29.676 29.700 -0.065 0.000 0.818 347 E HN 0.605 nan 8.360 nan 0.000 0.527 348 E N 1.861 122.057 120.200 -0.008 0.000 2.150 348 E HA -0.160 4.189 4.350 -0.001 0.000 0.193 348 E C 1.038 177.635 176.600 -0.006 0.000 0.985 348 E CA 1.579 57.978 56.400 -0.002 0.000 0.814 348 E CB 0.020 29.718 29.700 -0.003 0.000 0.752 348 E HN 0.687 nan 8.360 nan 0.000 0.466 349 D N -1.574 118.816 120.400 -0.017 0.000 2.525 349 D HA 0.015 4.654 4.640 -0.001 0.000 0.231 349 D C -0.245 176.013 176.300 -0.069 0.000 1.216 349 D CA -0.038 53.940 54.000 -0.036 0.000 0.813 349 D CB 0.057 40.835 40.800 -0.036 0.000 1.108 349 D HN -0.240 nan 8.370 nan 0.000 0.524 350 T N 1.605 116.126 114.554 -0.055 0.000 2.791 350 T HA 0.419 4.768 4.350 -0.001 0.000 0.288 350 T C -0.744 173.940 174.700 -0.027 0.000 0.999 350 T CA -0.614 61.438 62.100 -0.081 0.000 0.952 350 T CB 1.652 70.491 68.868 -0.050 0.000 0.938 350 T HN 0.050 nan 8.240 nan 0.000 0.444 351 L N 3.901 125.106 121.223 -0.029 0.000 2.278 351 L HA 0.561 4.900 4.340 -0.001 0.000 0.287 351 L C -0.257 176.654 176.870 0.067 0.000 1.072 351 L CA 0.308 55.170 54.840 0.037 0.000 0.819 351 L CB 0.599 42.683 42.059 0.042 0.000 1.176 351 L HN 0.508 nan 8.230 nan 0.000 0.435 352 S N 5.864 121.666 115.700 0.171 0.000 2.478 352 S HA 0.714 5.183 4.470 -0.001 0.000 0.312 352 S C -0.811 174.075 174.600 0.476 0.000 1.094 352 S CA -0.451 57.947 58.200 0.329 0.000 1.081 352 S CB 1.233 64.726 63.200 0.489 0.000 1.007 352 S HN 0.424 nan 8.310 nan 0.000 0.475 353 L N 3.491 124.940 121.223 0.376 0.000 2.341 353 L HA 0.594 4.933 4.340 -0.001 0.000 0.278 353 L C -0.639 176.445 176.870 0.357 0.000 1.005 353 L CA -0.435 54.621 54.840 0.359 0.000 0.818 353 L CB 1.858 44.059 42.059 0.236 0.000 1.259 353 L HN 0.397 nan 8.230 nan 0.000 0.418 354 V N 2.438 122.501 119.914 0.247 0.000 2.417 354 V HA 0.817 4.936 4.120 -0.001 0.000 0.291 354 V C 0.109 176.366 176.094 0.271 0.000 1.024 354 V CA -0.260 62.150 62.300 0.183 0.000 0.861 354 V CB 1.599 33.260 31.823 -0.272 0.000 0.985 354 V HN 0.872 nan 8.190 nan 0.000 0.436 355 T N 2.769 117.448 114.554 0.207 0.000 2.671 355 T HA 0.815 5.165 4.350 -0.001 0.000 0.300 355 T C -1.333 173.365 174.700 -0.004 0.000 1.238 355 T CA 0.232 62.394 62.100 0.103 0.000 1.020 355 T CB 1.909 70.785 68.868 0.012 0.000 1.503 355 T HN 1.017 nan 8.240 nan 0.000 0.497 356 A N 0.695 123.465 122.820 -0.083 0.000 2.380 356 A HA 0.643 4.962 4.320 -0.001 0.000 0.315 356 A C 0.691 178.130 177.584 -0.241 0.000 1.101 356 A CA -0.182 51.747 52.037 -0.181 0.000 0.771 356 A CB 1.183 20.113 19.000 -0.116 0.000 1.287 356 A HN 0.888 nan 8.150 nan 0.000 0.436 357 D N 0.125 120.342 120.400 -0.306 0.000 2.183 357 D HA 0.057 4.696 4.640 -0.001 0.000 0.203 357 D C 0.503 176.793 176.300 -0.017 0.000 0.969 357 D CA 2.116 56.054 54.000 -0.103 0.000 0.842 357 D CB -0.354 40.521 40.800 0.125 0.000 0.957 357 D HN 0.857 nan 8.370 nan 0.000 0.484 358 H N -4.309 114.741 119.070 -0.033 0.000 2.868 358 H HA 0.550 5.105 4.556 -0.001 0.000 0.278 358 H C -1.022 174.274 175.328 -0.053 0.000 1.454 358 H CA -0.681 55.342 56.048 -0.042 0.000 1.145 358 H CB 0.441 30.140 29.762 -0.104 0.000 1.808 358 H HN -0.068 nan 8.280 nan 0.000 0.500 359 S N -1.221 114.576 115.700 0.161 0.000 2.667 359 S HA 0.527 4.996 4.470 -0.001 0.000 0.292 359 S C -0.948 173.726 174.600 0.123 0.000 1.108 359 S CA -0.478 57.815 58.200 0.154 0.000 0.992 359 S CB 0.705 63.990 63.200 0.143 0.000 1.269 359 S HN 0.675 nan 8.310 nan 0.000 0.528 360 H N -0.558 118.601 119.070 0.148 0.000 2.985 360 H HA 0.325 4.880 4.556 -0.001 0.000 0.360 360 H C -0.365 175.047 175.328 0.140 0.000 1.221 360 H CA -0.322 55.804 56.048 0.131 0.000 1.121 360 H CB 1.643 31.369 29.762 -0.060 0.000 1.854 360 H HN 0.472 nan 8.280 nan 0.000 0.551 361 V N 0.066 120.170 119.914 0.316 0.000 3.273 361 V HA 0.136 4.255 4.120 -0.001 0.000 0.379 361 V C 0.162 176.414 176.094 0.263 0.000 1.256 361 V CA 0.002 62.453 62.300 0.251 0.000 1.455 361 V CB -1.888 30.072 31.823 0.227 0.000 1.247 361 V HN 0.318 nan 8.190 nan 0.000 0.469 362 F N 2.890 122.832 119.950 -0.013 0.000 2.420 362 F HA 0.688 5.214 4.527 -0.001 0.000 0.352 362 F C 0.539 176.239 175.800 -0.167 0.000 1.108 362 F CA -0.383 57.437 58.000 -0.300 0.000 1.162 362 F CB 1.184 39.912 39.000 -0.453 0.000 1.118 362 F HN 0.390 nan 8.300 nan 0.000 0.510 363 S N 6.105 121.358 115.700 -0.745 0.000 2.599 363 S HA 0.696 5.165 4.470 -0.001 0.000 0.287 363 S C -1.391 172.847 174.600 -0.603 0.000 1.105 363 S CA -0.719 57.157 58.200 -0.540 0.000 0.899 363 S CB 1.943 64.996 63.200 -0.246 0.000 1.100 363 S HN 0.645 nan 8.310 nan 0.000 0.482 364 F N 1.489 121.129 119.950 -0.516 0.000 2.500 364 F HA 0.800 5.327 4.527 -0.001 0.000 0.349 364 F C 0.036 175.683 175.800 -0.254 0.000 1.127 364 F CA -0.494 57.272 58.000 -0.391 0.000 0.998 364 F CB 0.925 39.731 39.000 -0.324 0.000 1.237 364 F HN 1.031 nan 8.300 nan 0.000 0.439 365 G N 2.216 110.814 108.800 -0.336 0.000 3.107 365 G HA2 0.619 4.579 3.960 -0.001 0.000 0.233 365 G HA3 0.619 4.579 3.960 -0.001 0.000 0.233 365 G C 0.017 174.678 174.900 -0.399 0.000 1.168 365 G CA -0.234 44.596 45.100 -0.449 0.000 0.801 365 G HN 1.450 nan 8.290 nan 0.000 0.605 366 G N -1.535 107.046 108.800 -0.364 0.000 2.752 366 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.234 366 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.234 366 G C -0.715 173.764 174.900 -0.702 0.000 1.367 366 G CA 0.333 45.222 45.100 -0.351 0.000 0.879 366 G HN 1.190 nan 8.290 nan 0.000 0.563 367 Y N 1.155 121.407 120.300 -0.080 0.000 2.495 367 Y HA 0.430 4.979 4.550 -0.001 0.000 0.362 367 Y C -1.602 174.254 175.900 -0.073 0.000 0.956 367 Y CA -1.142 56.906 58.100 -0.087 0.000 1.127 367 Y CB 1.076 39.503 38.460 -0.055 0.000 1.173 367 Y HN 0.477 nan 8.280 nan 0.000 0.639 368 P HA 0.128 nan 4.420 nan 0.000 0.275 368 P C -0.020 177.307 177.300 0.044 0.000 1.228 368 P CA -0.133 62.979 63.100 0.019 0.000 0.786 368 P CB 1.604 33.328 31.700 0.041 0.000 0.927 369 L N 1.651 122.895 121.223 0.036 0.000 2.467 369 L HA 0.195 4.534 4.340 -0.001 0.000 0.270 369 L C 1.359 178.254 176.870 0.042 0.000 1.205 369 L CA -0.551 54.310 54.840 0.034 0.000 0.828 369 L CB -0.143 41.928 42.059 0.021 0.000 1.101 369 L HN 0.404 nan 8.230 nan 0.000 0.479 370 R N 1.538 122.062 120.500 0.040 0.000 2.504 370 R HA 0.170 4.509 4.340 -0.001 0.000 0.291 370 R C 0.880 177.199 176.300 0.032 0.000 0.974 370 R CA 1.196 57.323 56.100 0.044 0.000 1.077 370 R CB -0.208 30.116 30.300 0.041 0.000 0.926 370 R HN 0.819 nan 8.270 nan 0.000 0.407 371 G N 2.340 111.159 108.800 0.031 0.000 2.175 371 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.244 371 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.244 371 G C -0.051 174.857 174.900 0.012 0.000 0.982 371 G CA 0.309 45.419 45.100 0.017 0.000 0.641 371 G HN 0.961 nan 8.290 nan 0.000 0.527 372 S N 0.009 115.720 115.700 0.018 0.000 2.576 372 S HA 0.622 5.091 4.470 -0.001 0.000 0.276 372 S C 0.631 175.228 174.600 -0.004 0.000 1.339 372 S CA 0.633 58.841 58.200 0.014 0.000 1.039 372 S CB 1.804 65.016 63.200 0.020 0.000 0.902 372 S HN 1.564 nan 8.310 nan 0.000 0.516 373 S N 1.072 116.771 115.700 -0.000 0.000 2.552 373 S HA 0.033 4.502 4.470 -0.001 0.000 0.289 373 S C 1.028 175.573 174.600 -0.092 0.000 1.304 373 S CA -0.628 57.561 58.200 -0.019 0.000 1.063 373 S CB -0.369 62.870 63.200 0.065 0.000 0.848 373 S HN 0.721 nan 8.310 nan 0.000 0.499 374 I N 4.768 125.169 120.570 -0.282 0.000 2.567 374 I HA 0.002 4.171 4.170 -0.001 0.000 0.257 374 I C 0.721 176.583 176.117 -0.425 0.000 1.184 374 I CA 1.461 62.477 61.300 -0.475 0.000 1.451 374 I CB -0.215 37.327 38.000 -0.763 0.000 1.089 374 I HN 0.734 nan 8.210 nan 0.000 0.441 375 F N 0.221 120.197 119.950 0.044 0.000 2.732 375 F HA 0.391 4.917 4.527 -0.001 0.000 0.303 375 F C 1.544 177.365 175.800 0.035 0.000 1.110 375 F CA -0.142 57.910 58.000 0.086 0.000 1.355 375 F CB -1.179 37.907 39.000 0.143 0.000 1.081 375 F HN -0.044 nan 8.300 nan 0.000 0.565 376 G N 0.285 109.152 108.800 0.112 0.000 2.588 376 G HA2 0.493 4.452 3.960 -0.001 0.000 0.281 376 G HA3 0.493 4.452 3.960 -0.001 0.000 0.281 376 G C -0.348 174.552 174.900 0.000 0.000 1.236 376 G CA -0.669 44.458 45.100 0.046 0.000 0.969 376 G HN 0.043 nan 8.290 nan 0.000 0.504 377 L N 0.492 121.688 121.223 -0.046 0.000 2.371 377 L HA 0.473 4.812 4.340 -0.001 0.000 0.272 377 L C 1.093 177.854 176.870 -0.182 0.000 1.124 377 L CA -0.792 53.979 54.840 -0.115 0.000 0.816 377 L CB 1.214 43.214 42.059 -0.099 0.000 1.129 377 L HN 0.579 nan 8.230 nan 0.000 0.448 378 A N 4.207 126.796 122.820 -0.386 0.000 2.511 378 A HA 0.358 4.677 4.320 -0.001 0.000 0.242 378 A C -2.207 175.205 177.584 -0.287 0.000 1.069 378 A CA -0.912 50.850 52.037 -0.459 0.000 0.763 378 A CB -0.618 17.738 19.000 -1.073 0.000 1.001 378 A HN 0.456 nan 8.150 nan 0.000 0.498 379 P HA 0.366 nan 4.420 nan 0.000 0.266 379 P C 0.546 177.837 177.300 -0.015 0.000 1.195 379 P CA 1.844 64.916 63.100 -0.047 0.000 0.768 379 P CB 0.447 32.150 31.700 0.005 0.000 0.838 380 G N 1.663 110.470 108.800 0.012 0.000 2.764 380 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.686 380 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.686 380 G C -0.829 174.146 174.900 0.125 0.000 1.258 380 G CA -0.909 44.231 45.100 0.066 0.000 0.846 380 G HN 0.431 nan 8.290 nan 0.000 0.596 381 K N 0.832 121.310 120.400 0.130 0.000 2.202 381 K HA 0.663 4.982 4.320 -0.001 0.000 0.264 381 K C 1.143 177.875 176.600 0.219 0.000 1.010 381 K CA 0.271 56.657 56.287 0.164 0.000 0.940 381 K CB 1.198 33.754 32.500 0.094 0.000 0.983 381 K HN 1.205 nan 8.250 nan 0.000 0.475 382 A N 1.407 124.357 122.820 0.217 0.000 2.292 382 A HA 0.088 4.407 4.320 -0.001 0.000 0.265 382 A C 1.325 178.917 177.584 0.014 0.000 1.133 382 A CA 0.031 52.086 52.037 0.030 0.000 0.807 382 A CB 0.150 19.103 19.000 -0.078 0.000 1.102 382 A HN 0.661 nan 8.150 nan 0.000 0.502 383 R N -0.024 120.457 120.500 -0.032 0.000 2.193 383 R HA -0.111 4.228 4.340 -0.001 0.000 0.229 383 R C 0.571 176.870 176.300 -0.002 0.000 1.110 383 R CA 1.973 58.065 56.100 -0.014 0.000 0.988 383 R CB -0.400 29.884 30.300 -0.027 0.000 0.871 383 R HN 0.839 nan 8.270 nan 0.000 0.458 384 D N -0.985 119.413 120.400 -0.002 0.000 2.325 384 D HA 0.001 4.641 4.640 -0.001 0.000 0.225 384 D C -0.177 176.136 176.300 0.020 0.000 1.096 384 D CA -0.150 53.853 54.000 0.007 0.000 0.844 384 D CB -0.164 40.636 40.800 0.001 0.000 0.925 384 D HN 0.167 nan 8.370 nan 0.000 0.513 385 R N -1.124 119.394 120.500 0.030 0.000 3.953 385 R HA -0.190 4.149 4.340 -0.001 0.000 0.340 385 R C -0.335 175.994 176.300 0.048 0.000 1.195 385 R CA 0.881 57.004 56.100 0.039 0.000 0.929 385 R CB -2.131 28.185 30.300 0.028 0.000 1.402 385 R HN 0.337 nan 8.270 nan 0.000 0.540 386 K N 0.248 120.684 120.400 0.060 0.000 2.221 386 K HA 0.707 5.026 4.320 -0.001 0.000 0.243 386 K C 0.172 176.843 176.600 0.120 0.000 0.968 386 K CA -0.167 56.162 56.287 0.070 0.000 0.846 386 K CB 1.715 34.249 32.500 0.056 0.000 1.141 386 K HN 0.143 nan 8.250 nan 0.000 0.434 387 A N 1.122 124.007 122.820 0.108 0.000 2.346 387 A HA 0.397 4.716 4.320 -0.001 0.000 0.252 387 A C -0.875 176.848 177.584 0.232 0.000 1.089 387 A CA 0.165 52.279 52.037 0.128 0.000 0.797 387 A CB -0.073 18.952 19.000 0.043 0.000 1.047 387 A HN 0.698 nan 8.150 nan 0.000 0.494 388 Y N -1.824 118.496 120.300 0.033 0.000 2.655 388 Y HA 0.705 5.254 4.550 -0.001 0.000 0.336 388 Y C -0.052 175.881 175.900 0.055 0.000 1.154 388 Y CA -0.655 57.475 58.100 0.049 0.000 1.055 388 Y CB 0.538 39.021 38.460 0.039 0.000 1.295 388 Y HN 0.758 nan 8.280 nan 0.000 0.465 389 T N -1.437 113.203 114.554 0.142 0.000 2.928 389 T HA 0.394 4.744 4.350 -0.001 0.000 0.284 389 T C 0.682 175.399 174.700 0.028 0.000 1.008 389 T CA -0.570 61.567 62.100 0.061 0.000 1.057 389 T CB 1.612 70.611 68.868 0.218 0.000 1.018 389 T HN 0.652 nan 8.240 nan 0.000 0.493 390 V N 1.270 121.179 119.914 -0.007 0.000 2.515 390 V HA 0.047 4.166 4.120 -0.001 0.000 0.250 390 V C 1.097 177.248 176.094 0.095 0.000 1.058 390 V CA 1.281 63.599 62.300 0.029 0.000 1.064 390 V CB -0.595 31.289 31.823 0.101 0.000 0.675 390 V HN 0.676 nan 8.190 nan 0.000 0.461 391 L N 0.830 122.118 121.223 0.108 0.000 2.275 391 L HA 0.504 4.843 4.340 -0.001 0.000 0.288 391 L C -0.596 176.300 176.870 0.043 0.000 1.046 391 L CA 0.108 54.963 54.840 0.025 0.000 0.805 391 L CB 1.104 43.278 42.059 0.190 0.000 1.193 391 L HN 0.139 nan 8.230 nan 0.000 0.426 392 L N 2.607 123.744 121.223 -0.145 0.000 2.409 392 L HA 0.555 4.894 4.340 -0.001 0.000 0.255 392 L C -1.379 175.358 176.870 -0.223 0.000 1.027 392 L CA -0.803 54.013 54.840 -0.039 0.000 0.834 392 L CB 2.529 44.615 42.059 0.045 0.000 1.426 392 L HN 0.296 nan 8.230 nan 0.000 0.411 393 Y N -1.166 119.227 120.300 0.154 0.000 2.524 393 Y HA 0.426 4.976 4.550 -0.001 0.000 0.344 393 Y C 0.984 176.957 175.900 0.121 0.000 1.012 393 Y CA -0.311 57.885 58.100 0.161 0.000 1.068 393 Y CB 2.029 40.605 38.460 0.193 0.000 1.249 393 Y HN 0.633 nan 8.280 nan 0.000 0.468 394 G N 1.028 109.990 108.800 0.269 0.000 2.402 394 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.216 394 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.216 394 G C -0.048 174.958 174.900 0.178 0.000 1.162 394 G CA 0.888 46.093 45.100 0.176 0.000 0.777 394 G HN 0.709 nan 8.290 nan 0.000 0.539 395 N N -2.347 116.476 118.700 0.205 0.000 2.647 395 N HA 0.624 5.363 4.740 -0.001 0.000 0.266 395 N C -0.264 175.331 175.510 0.142 0.000 1.373 395 N CA -0.009 53.127 53.050 0.144 0.000 0.807 395 N CB 1.363 39.904 38.487 0.090 0.000 1.513 395 N HN 0.765 nan 8.380 nan 0.000 0.505 396 G N -1.410 107.443 108.800 0.090 0.000 2.347 396 G HA2 0.074 4.033 3.960 -0.001 0.000 0.341 396 G HA3 0.074 4.033 3.960 -0.001 0.000 0.341 396 G C -2.689 172.243 174.900 0.053 0.000 1.287 396 G CA -0.423 44.703 45.100 0.044 0.000 0.984 396 G HN 0.561 nan 8.290 nan 0.000 0.526 397 P HA 0.142 nan 4.420 nan 0.000 0.245 397 P C 1.464 178.782 177.300 0.030 0.000 1.212 397 P CA 1.303 64.421 63.100 0.030 0.000 0.774 397 P CB 0.160 31.863 31.700 0.006 0.000 0.999 398 G N -1.083 107.732 108.800 0.026 0.000 2.813 398 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.209 398 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.209 398 G C 0.097 175.046 174.900 0.081 0.000 1.150 398 G CA -0.167 44.940 45.100 0.012 0.000 0.785 398 G HN 0.241 nan 8.290 nan 0.000 0.535 399 Y N 1.522 121.838 120.300 0.027 0.000 2.677 399 Y HA 0.357 4.907 4.550 -0.001 0.000 0.335 399 Y C -0.420 175.498 175.900 0.030 0.000 1.162 399 Y CA -0.087 58.036 58.100 0.039 0.000 1.483 399 Y CB 0.554 39.037 38.460 0.039 0.000 1.209 399 Y HN -0.105 nan 8.280 nan 0.000 0.528 400 V N 8.075 127.806 119.914 -0.306 0.000 2.709 400 V HA 0.394 4.513 4.120 -0.001 0.000 0.308 400 V C -0.769 175.143 176.094 -0.302 0.000 1.062 400 V CA -1.132 61.064 62.300 -0.173 0.000 0.901 400 V CB 2.030 33.817 31.823 -0.061 0.000 1.003 400 V HN 0.581 nan 8.190 nan 0.000 0.425 401 L N 4.376 125.525 121.223 -0.124 0.000 2.342 401 L HA 0.555 4.894 4.340 -0.001 0.000 0.276 401 L C -0.155 176.706 176.870 -0.016 0.000 0.997 401 L CA -0.282 54.513 54.840 -0.075 0.000 0.838 401 L CB 1.540 43.594 42.059 -0.008 0.000 1.224 401 L HN 0.587 nan 8.230 nan 0.000 0.416 402 K N 4.092 124.481 120.400 -0.017 0.000 2.234 402 K HA 0.176 4.495 4.320 -0.001 0.000 0.277 402 K C -0.429 176.174 176.600 0.005 0.000 1.038 402 K CA -0.400 55.888 56.287 0.002 0.000 0.888 402 K CB 0.784 33.288 32.500 0.007 0.000 1.091 402 K HN 0.548 nan 8.250 nan 0.000 0.467 403 D N 3.812 124.219 120.400 0.011 0.000 2.701 403 D HA -0.213 4.427 4.640 -0.001 0.000 0.235 403 D C 0.660 176.967 176.300 0.012 0.000 1.155 403 D CA 1.676 55.683 54.000 0.012 0.000 0.649 403 D CB -1.142 39.665 40.800 0.011 0.000 1.050 403 D HN 1.101 nan 8.370 nan 0.000 0.425 404 G N -1.708 107.100 108.800 0.014 0.000 2.176 404 G HA2 -0.010 3.949 3.960 -0.001 0.000 0.253 404 G HA3 -0.010 3.949 3.960 -0.001 0.000 0.253 404 G C 0.288 175.194 174.900 0.010 0.000 0.979 404 G CA 0.588 45.698 45.100 0.017 0.000 0.641 404 G HN 1.343 nan 8.290 nan 0.000 0.530 405 A N -0.857 121.961 122.820 -0.003 0.000 2.594 405 A HA 0.850 5.169 4.320 -0.001 0.000 0.291 405 A C 0.126 177.684 177.584 -0.042 0.000 1.105 405 A CA 0.115 52.143 52.037 -0.015 0.000 0.694 405 A CB 0.959 19.957 19.000 -0.004 0.000 1.291 405 A HN 0.833 nan 8.150 nan 0.000 0.410 406 R N 1.260 121.726 120.500 -0.058 0.000 2.502 406 R HA 0.206 4.545 4.340 -0.001 0.000 0.292 406 R C -2.253 174.030 176.300 -0.028 0.000 0.998 406 R CA -0.876 55.178 56.100 -0.078 0.000 1.056 406 R CB 0.222 30.484 30.300 -0.063 0.000 0.939 406 R HN 0.479 nan 8.270 nan 0.000 0.411 407 P HA 0.008 nan 4.420 nan 0.000 0.274 407 P C -0.794 176.532 177.300 0.043 0.000 1.231 407 P CA -0.273 62.837 63.100 0.017 0.000 0.790 407 P CB 0.716 32.433 31.700 0.029 0.000 0.951 408 D N 0.586 121.012 120.400 0.043 0.000 2.363 408 D HA 0.214 4.853 4.640 -0.001 0.000 0.240 408 D C -0.639 175.696 176.300 0.059 0.000 1.236 408 D CA 0.219 54.249 54.000 0.051 0.000 0.927 408 D CB 0.607 41.428 40.800 0.036 0.000 1.150 408 D HN -0.001 nan 8.370 nan 0.000 0.458 409 V N 0.596 120.539 119.914 0.048 0.000 2.808 409 V HA 0.407 4.526 4.120 -0.001 0.000 0.308 409 V C 0.288 176.366 176.094 -0.027 0.000 1.099 409 V CA -0.921 61.388 62.300 0.015 0.000 0.920 409 V CB 1.743 33.583 31.823 0.028 0.000 1.014 409 V HN 0.765 nan 8.190 nan 0.000 0.425 410 T N -0.725 113.791 114.554 -0.065 0.000 2.948 410 T HA 0.453 4.802 4.350 -0.001 0.000 0.285 410 T C 0.709 175.348 174.700 -0.102 0.000 1.019 410 T CA -0.560 61.502 62.100 -0.064 0.000 1.013 410 T CB 1.989 70.829 68.868 -0.047 0.000 1.117 410 T HN 0.570 nan 8.240 nan 0.000 0.533 411 E N 0.532 120.690 120.200 -0.070 0.000 2.110 411 E HA -0.121 4.228 4.350 -0.001 0.000 0.193 411 E C 2.182 178.736 176.600 -0.077 0.000 0.988 411 E CA 1.311 57.672 56.400 -0.064 0.000 0.804 411 E CB -0.434 29.248 29.700 -0.030 0.000 0.745 411 E HN 0.704 nan 8.360 nan 0.000 0.458 412 S N 0.568 116.226 115.700 -0.070 0.000 2.368 412 S HA -0.182 4.287 4.470 -0.001 0.000 0.225 412 S C 1.820 176.353 174.600 -0.112 0.000 1.030 412 S CA 1.360 59.518 58.200 -0.070 0.000 0.999 412 S CB 0.028 63.198 63.200 -0.049 0.000 0.844 412 S HN 0.218 nan 8.310 nan 0.000 0.459 413 E N 0.779 120.892 120.200 -0.146 0.000 2.028 413 E HA -0.104 4.245 4.350 -0.001 0.000 0.191 413 E C 2.447 178.755 176.600 -0.485 0.000 0.988 413 E CA 1.505 57.775 56.400 -0.217 0.000 0.799 413 E CB -0.245 29.348 29.700 -0.178 0.000 0.755 413 E HN 0.730 nan 8.360 nan 0.000 0.447 414 S N -0.047 115.290 115.700 -0.604 0.000 2.442 414 S HA -0.086 4.384 4.470 -0.001 0.000 0.236 414 S C 1.968 176.408 174.600 -0.266 0.000 1.007 414 S CA 1.036 58.764 58.200 -0.788 0.000 0.965 414 S CB -0.217 62.759 63.200 -0.375 0.000 0.773 414 S HN 0.289 nan 8.310 nan 0.000 0.504 415 G N 0.711 109.419 108.800 -0.154 0.000 2.939 415 G HA2 0.198 4.158 3.960 -0.001 0.000 0.210 415 G HA3 0.198 4.158 3.960 -0.001 0.000 0.210 415 G C 0.369 175.139 174.900 -0.216 0.000 1.160 415 G CA 0.199 45.266 45.100 -0.057 0.000 0.770 415 G HN 0.578 nan 8.290 nan 0.000 0.543 416 S N 0.723 116.291 115.700 -0.219 0.000 2.564 416 S HA 0.289 4.758 4.470 -0.001 0.000 0.278 416 S C -1.026 173.280 174.600 -0.491 0.000 1.333 416 S CA -1.051 56.977 58.200 -0.287 0.000 1.048 416 S CB 1.593 64.715 63.200 -0.130 0.000 0.900 416 S HN -0.044 nan 8.310 nan 0.000 0.505 417 P HA 0.017 nan 4.420 nan 0.000 0.225 417 P C 0.368 177.471 177.300 -0.329 0.000 1.148 417 P CA 0.840 63.386 63.100 -0.923 0.000 0.779 417 P CB 0.130 31.371 31.700 -0.765 0.000 0.780 418 E N -2.775 117.318 120.200 -0.178 0.000 2.472 418 E HA 0.035 4.384 4.350 -0.001 0.000 0.196 418 E C 0.081 176.679 176.600 -0.002 0.000 1.033 418 E CA -0.302 56.060 56.400 -0.063 0.000 0.886 418 E CB -0.650 29.031 29.700 -0.032 0.000 0.944 418 E HN 0.257 nan 8.360 nan 0.000 0.492 419 Y N 2.111 122.350 120.300 -0.101 0.000 2.526 419 Y HA 0.060 4.609 4.550 -0.001 0.000 0.330 419 Y C -0.079 175.842 175.900 0.035 0.000 1.156 419 Y CA -0.158 57.926 58.100 -0.027 0.000 1.419 419 Y CB 0.391 38.838 38.460 -0.022 0.000 1.250 419 Y HN -0.193 nan 8.280 nan 0.000 0.540 420 R N 5.494 125.588 120.500 -0.677 0.000 2.229 420 R HA 0.209 4.548 4.340 -0.001 0.000 0.332 420 R C -0.505 175.340 176.300 -0.757 0.000 0.989 420 R CA -0.929 54.878 56.100 -0.487 0.000 0.842 420 R CB 0.952 31.094 30.300 -0.263 0.000 1.119 420 R HN 0.672 nan 8.270 nan 0.000 0.456 421 Q N 1.946 121.640 119.800 -0.177 0.000 2.395 421 Q HA 0.001 4.340 4.340 -0.001 0.000 0.271 421 Q C -0.041 176.064 176.000 0.176 0.000 1.026 421 Q CA 0.490 56.375 55.803 0.138 0.000 0.900 421 Q CB 0.552 29.572 28.738 0.471 0.000 1.266 421 Q HN 0.354 nan 8.270 nan 0.000 0.430 422 Q N 0.490 120.405 119.800 0.191 0.000 2.454 422 Q HA 0.353 4.692 4.340 -0.001 0.000 0.247 422 Q C -0.363 175.783 176.000 0.244 0.000 1.028 422 Q CA -0.008 55.895 55.803 0.167 0.000 0.910 422 Q CB 0.811 29.627 28.738 0.130 0.000 1.276 422 Q HN 0.762 nan 8.270 nan 0.000 0.489 423 S N -0.961 114.887 115.700 0.246 0.000 2.661 423 S HA 0.660 5.129 4.470 -0.001 0.000 0.285 423 S C 0.021 174.823 174.600 0.337 0.000 1.138 423 S CA -0.354 58.019 58.200 0.287 0.000 0.855 423 S CB 1.439 64.811 63.200 0.286 0.000 1.136 423 S HN 0.619 nan 8.310 nan 0.000 0.484 424 A N 0.237 123.213 122.820 0.260 0.000 2.016 424 A HA 0.515 4.834 4.320 -0.001 0.000 0.217 424 A C 0.462 178.140 177.584 0.156 0.000 1.162 424 A CA 0.725 52.907 52.037 0.241 0.000 0.662 424 A CB -0.329 18.748 19.000 0.127 0.000 0.812 424 A HN 0.946 nan 8.150 nan 0.000 0.450 425 V N 1.701 121.642 119.914 0.045 0.000 2.569 425 V HA 0.327 4.446 4.120 -0.001 0.000 0.301 425 V C -2.846 173.134 176.094 -0.190 0.000 1.044 425 V CA -1.923 60.262 62.300 -0.192 0.000 0.874 425 V CB 2.212 33.988 31.823 -0.079 0.000 1.002 425 V HN 0.179 nan 8.190 nan 0.000 0.424 426 P HA 0.382 nan 4.420 nan 0.000 0.276 426 P C -1.128 176.130 177.300 -0.069 0.000 1.253 426 P CA 0.085 63.096 63.100 -0.148 0.000 0.766 426 P CB 1.013 32.600 31.700 -0.189 0.000 0.845 427 L N 2.623 123.844 121.223 -0.004 0.000 2.409 427 L HA 0.325 4.665 4.340 -0.001 0.000 0.262 427 L C 1.196 178.077 176.870 0.018 0.000 0.992 427 L CA -0.803 54.038 54.840 0.002 0.000 0.817 427 L CB 2.034 44.101 42.059 0.014 0.000 1.350 427 L HN 0.127 nan 8.230 nan 0.000 0.411 428 D N 0.802 121.209 120.400 0.012 0.000 2.149 428 D HA -0.110 4.529 4.640 -0.001 0.000 0.198 428 D C 0.338 176.652 176.300 0.023 0.000 0.990 428 D CA 1.503 55.512 54.000 0.014 0.000 0.839 428 D CB 0.369 41.172 40.800 0.006 0.000 0.948 428 D HN 0.555 nan 8.370 nan 0.000 0.460 429 E N 0.756 120.975 120.200 0.033 0.000 2.272 429 E HA 0.209 4.558 4.350 -0.001 0.000 0.269 429 E C -0.223 176.457 176.600 0.133 0.000 0.877 429 E CA -0.710 55.740 56.400 0.083 0.000 0.755 429 E CB 2.146 31.868 29.700 0.037 0.000 1.192 429 E HN -0.087 nan 8.360 nan 0.000 0.422 430 E N 2.484 122.778 120.200 0.157 0.000 2.437 430 E HA 0.004 4.353 4.350 -0.001 0.000 0.263 430 E C -0.426 176.353 176.600 0.297 0.000 1.030 430 E CA 0.317 56.811 56.400 0.156 0.000 0.934 430 E CB 0.791 30.490 29.700 -0.002 0.000 0.943 430 E HN 0.652 nan 8.360 nan 0.000 0.444 431 T N 1.256 115.937 114.554 0.212 0.000 2.918 431 T HA 0.290 4.639 4.350 -0.001 0.000 0.283 431 T C 0.348 175.148 174.700 0.167 0.000 1.001 431 T CA -0.556 61.639 62.100 0.157 0.000 1.041 431 T CB 0.516 69.432 68.868 0.079 0.000 1.028 431 T HN 0.509 nan 8.240 nan 0.000 0.511 432 H N 0.164 119.215 119.070 -0.032 0.000 2.895 432 H HA 0.427 4.982 4.556 -0.001 0.000 0.371 432 H C 0.559 175.847 175.328 -0.068 0.000 1.219 432 H CA -0.293 55.590 56.048 -0.275 0.000 1.431 432 H CB 0.381 29.903 29.762 -0.399 0.000 1.414 432 H HN 0.949 nan 8.280 nan 0.000 0.617 433 A N 0.610 123.495 122.820 0.108 0.000 2.380 433 A HA 0.510 4.829 4.320 -0.001 0.000 0.315 433 A C 1.104 178.767 177.584 0.131 0.000 1.101 433 A CA -0.170 51.941 52.037 0.124 0.000 0.771 433 A CB 1.236 20.315 19.000 0.131 0.000 1.287 433 A HN 0.855 nan 8.150 nan 0.000 0.436 434 G N 0.202 109.073 108.800 0.119 0.000 3.088 434 G HA2 0.258 4.218 3.960 -0.001 0.000 0.217 434 G HA3 0.258 4.218 3.960 -0.001 0.000 0.217 434 G C 0.425 175.390 174.900 0.108 0.000 1.159 434 G CA 0.336 45.514 45.100 0.129 0.000 0.760 434 G HN 0.803 nan 8.290 nan 0.000 0.550 435 E N 1.530 121.785 120.200 0.091 0.000 2.371 435 E HA 0.086 4.435 4.350 -0.001 0.000 0.257 435 E C -1.070 175.574 176.600 0.073 0.000 1.134 435 E CA -0.526 55.916 56.400 0.069 0.000 0.919 435 E CB 0.734 30.467 29.700 0.055 0.000 1.025 435 E HN -0.044 nan 8.360 nan 0.000 0.438 436 D N 0.714 121.145 120.400 0.052 0.000 2.449 436 D HA 0.124 4.764 4.640 -0.001 0.000 0.236 436 D C 0.300 176.620 176.300 0.033 0.000 1.149 436 D CA 0.075 54.100 54.000 0.041 0.000 0.878 436 D CB 0.810 41.619 40.800 0.015 0.000 1.198 436 D HN 0.408 nan 8.370 nan 0.000 0.446 437 V N -1.852 118.075 119.914 0.022 0.000 2.994 437 V HA 0.847 4.966 4.120 -0.001 0.000 0.318 437 V C 0.001 176.065 176.094 -0.049 0.000 1.085 437 V CA -1.224 61.079 62.300 0.006 0.000 0.998 437 V CB 1.493 33.322 31.823 0.011 0.000 1.063 437 V HN 0.590 nan 8.190 nan 0.000 0.447 438 A N 1.550 124.313 122.820 -0.095 0.000 2.340 438 A HA 0.734 5.053 4.320 -0.001 0.000 0.268 438 A C -0.244 177.182 177.584 -0.264 0.000 1.100 438 A CA -0.449 51.416 52.037 -0.287 0.000 0.803 438 A CB 0.709 19.367 19.000 -0.570 0.000 1.043 438 A HN 1.360 nan 8.150 nan 0.000 0.488 439 V N 1.920 121.651 119.914 -0.306 0.000 2.448 439 V HA 0.485 4.604 4.120 -0.001 0.000 0.295 439 V C -1.026 174.911 176.094 -0.261 0.000 1.025 439 V CA -0.232 61.983 62.300 -0.141 0.000 0.859 439 V CB 0.850 32.686 31.823 0.021 0.000 0.988 439 V HN 0.672 nan 8.190 nan 0.000 0.431 440 F N 2.619 122.594 119.950 0.042 0.000 2.450 440 F HA 0.866 5.392 4.527 -0.001 0.000 0.332 440 F C 0.445 176.410 175.800 0.276 0.000 1.093 440 F CA -0.581 57.465 58.000 0.076 0.000 1.003 440 F CB 1.949 40.809 39.000 -0.234 0.000 1.151 440 F HN 0.594 nan 8.300 nan 0.000 0.474 441 A N 3.538 126.762 122.820 0.673 0.000 2.486 441 A HA 0.882 5.201 4.320 -0.001 0.000 0.300 441 A C -1.119 176.815 177.584 0.583 0.000 1.048 441 A CA -0.829 51.593 52.037 0.643 0.000 0.696 441 A CB 2.106 21.363 19.000 0.429 0.000 1.278 441 A HN 0.869 nan 8.150 nan 0.000 0.405 442 R N 1.392 122.097 120.500 0.341 0.000 2.668 442 R HA 0.695 5.034 4.340 -0.001 0.000 0.272 442 R C 0.030 176.383 176.300 0.089 0.000 1.019 442 R CA 0.382 56.525 56.100 0.071 0.000 0.894 442 R CB 1.763 31.788 30.300 -0.458 0.000 1.228 442 R HN 2.613 nan 8.270 nan 0.000 0.460 443 G N 2.198 111.058 108.800 0.100 0.000 2.483 443 G HA2 -0.106 3.853 3.960 -0.001 0.000 0.521 443 G HA3 -0.106 3.853 3.960 -0.001 0.000 0.521 443 G C -2.981 171.988 174.900 0.115 0.000 1.278 443 G CA -0.955 44.191 45.100 0.076 0.000 0.965 443 G HN 0.476 nan 8.290 nan 0.000 0.504 444 P HA 0.357 nan 4.420 nan 0.000 0.267 444 P C 0.089 177.457 177.300 0.113 0.000 1.209 444 P CA 0.775 63.928 63.100 0.087 0.000 0.763 444 P CB 0.843 32.563 31.700 0.035 0.000 0.816 445 Q N 1.444 121.355 119.800 0.185 0.000 2.374 445 Q HA -0.258 4.081 4.340 -0.001 0.000 0.218 445 Q C 1.295 177.282 176.000 -0.021 0.000 0.691 445 Q CA 1.511 57.396 55.803 0.136 0.000 1.340 445 Q CB -2.811 26.027 28.738 0.166 0.000 1.498 445 Q HN 0.612 nan 8.270 nan 0.000 0.739 446 A N 1.069 123.932 122.820 0.071 0.000 1.972 446 A HA -0.218 4.101 4.320 -0.001 0.000 0.219 446 A C 1.771 179.154 177.584 -0.335 0.000 1.169 446 A CA 1.803 53.874 52.037 0.056 0.000 0.635 446 A CB -0.923 18.264 19.000 0.313 0.000 0.810 446 A HN 0.708 nan 8.150 nan 0.000 0.446 447 H N -0.138 118.465 119.070 -0.778 0.000 2.489 447 H HA -0.050 4.506 4.556 -0.001 0.000 0.295 447 H C 1.578 176.665 175.328 -0.401 0.000 1.082 447 H CA 1.423 56.759 56.048 -1.187 0.000 1.295 447 H CB -0.723 28.604 29.762 -0.726 0.000 1.380 447 H HN 0.473 nan 8.280 nan 0.000 0.548 448 L N 1.178 121.964 121.223 -0.728 0.000 2.291 448 L HA 0.002 4.341 4.340 -0.001 0.000 0.214 448 L C 0.706 177.692 176.870 0.194 0.000 1.120 448 L CA 0.081 54.753 54.840 -0.280 0.000 0.799 448 L CB 0.024 41.922 42.059 -0.268 0.000 0.925 448 L HN 0.025 nan 8.230 nan 0.000 0.446 449 V N 1.424 121.426 119.914 0.147 0.000 2.381 449 V HA 0.050 4.169 4.120 -0.001 0.000 0.257 449 V C -0.233 175.971 176.094 0.183 0.000 1.057 449 V CA -0.012 62.448 62.300 0.266 0.000 1.013 449 V CB -0.888 31.089 31.823 0.257 0.000 1.069 449 V HN 0.477 nan 8.190 nan 0.000 0.484 450 H N 2.293 121.332 119.070 -0.051 0.000 3.042 450 H HA 0.742 5.298 4.556 -0.001 0.000 0.346 450 H C 0.092 175.335 175.328 -0.141 0.000 1.294 450 H CA -0.073 55.940 56.048 -0.058 0.000 1.141 450 H CB 1.289 31.020 29.762 -0.051 0.000 1.872 450 H HN 0.891 nan 8.280 nan 0.000 0.541 451 G N -0.242 108.417 108.800 -0.234 0.000 2.552 451 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.265 451 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.265 451 G C -0.971 173.758 174.900 -0.284 0.000 1.234 451 G CA -0.051 44.883 45.100 -0.276 0.000 0.944 451 G HN 1.077 nan 8.290 nan 0.000 0.568 452 V N 2.235 121.985 119.914 -0.272 0.000 2.357 452 V HA 0.636 4.755 4.120 -0.001 0.000 0.284 452 V C -0.109 175.830 176.094 -0.259 0.000 1.018 452 V CA -0.500 61.681 62.300 -0.198 0.000 0.841 452 V CB 1.394 33.151 31.823 -0.110 0.000 0.991 452 V HN 0.721 nan 8.190 nan 0.000 0.437 453 Q N 2.308 121.961 119.800 -0.246 0.000 2.413 453 Q HA 0.508 4.847 4.340 -0.001 0.000 0.276 453 Q C -0.573 175.382 176.000 -0.075 0.000 1.099 453 Q CA -0.876 54.768 55.803 -0.264 0.000 0.814 453 Q CB 2.445 30.892 28.738 -0.484 0.000 1.379 453 Q HN 0.612 nan 8.270 nan 0.000 0.436 454 E N 1.398 121.589 120.200 -0.015 0.000 2.415 454 E HA -0.081 4.268 4.350 -0.001 0.000 0.262 454 E C 0.674 177.329 176.600 0.091 0.000 1.038 454 E CA 0.175 56.597 56.400 0.037 0.000 0.921 454 E CB 0.783 30.511 29.700 0.045 0.000 0.950 454 E HN 0.591 nan 8.360 nan 0.000 0.438 455 Q N 1.554 121.393 119.800 0.064 0.000 2.234 455 Q HA -0.173 4.167 4.340 -0.001 0.000 0.206 455 Q C 1.614 177.742 176.000 0.213 0.000 0.980 455 Q CA 2.012 57.899 55.803 0.139 0.000 0.869 455 Q CB 0.007 28.818 28.738 0.122 0.000 0.912 455 Q HN 0.728 nan 8.270 nan 0.000 0.436 456 T N -1.658 113.005 114.554 0.181 0.000 2.849 456 T HA -0.199 4.150 4.350 -0.001 0.000 0.270 456 T C 1.394 176.310 174.700 0.360 0.000 1.066 456 T CA 1.017 63.263 62.100 0.245 0.000 1.130 456 T CB -0.608 68.385 68.868 0.209 0.000 0.864 456 T HN 0.364 nan 8.240 nan 0.000 0.481 457 F N 1.885 121.927 119.950 0.154 0.000 2.154 457 F HA -0.005 4.521 4.527 -0.002 0.000 0.301 457 F C 1.884 177.793 175.800 0.182 0.000 1.087 457 F CA 0.678 58.761 58.000 0.138 0.000 1.274 457 F CB -0.440 38.583 39.000 0.038 0.000 1.009 457 F HN 0.108 nan 8.300 nan 0.000 0.485 458 I N 0.023 120.767 120.570 0.290 0.000 2.163 458 I HA -0.369 3.800 4.170 -0.001 0.000 0.243 458 I C 2.678 178.893 176.117 0.162 0.000 1.085 458 I CA 1.475 62.908 61.300 0.222 0.000 1.347 458 I CB -0.912 37.255 38.000 0.280 0.000 1.044 458 I HN 0.213 nan 8.210 nan 0.000 0.408 459 A N -0.276 122.656 122.820 0.185 0.000 1.898 459 A HA -0.219 4.100 4.320 -0.001 0.000 0.216 459 A C 2.252 179.852 177.584 0.027 0.000 1.181 459 A CA 1.489 53.594 52.037 0.114 0.000 0.620 459 A CB -0.931 18.095 19.000 0.043 0.000 0.819 459 A HN 0.447 nan 8.150 nan 0.000 0.442 460 H N -1.386 117.696 119.070 0.020 0.000 2.357 460 H HA -0.083 4.472 4.556 -0.002 0.000 0.301 460 H C 2.312 177.555 175.328 -0.142 0.000 1.082 460 H CA 1.677 57.743 56.048 0.029 0.000 1.342 460 H CB -0.386 29.368 29.762 -0.014 0.000 1.389 460 H HN 0.323 nan 8.280 nan 0.000 0.511 461 V N 1.171 120.913 119.914 -0.286 0.000 2.427 461 V HA -0.229 3.890 4.120 -0.001 0.000 0.248 461 V C 2.304 178.399 176.094 0.002 0.000 1.051 461 V CA 1.268 63.392 62.300 -0.293 0.000 1.048 461 V CB -0.332 31.200 31.823 -0.485 0.000 0.666 461 V HN 0.306 nan 8.190 nan 0.000 0.456 462 M N -0.429 119.203 119.600 0.053 0.000 2.132 462 M HA -0.081 4.398 4.480 -0.001 0.000 0.263 462 M C 2.354 178.739 176.300 0.141 0.000 1.065 462 M CA 2.053 57.425 55.300 0.120 0.000 1.122 462 M CB -0.585 32.129 32.600 0.190 0.000 1.365 462 M HN 0.439 nan 8.290 nan 0.000 0.411 463 A N 0.117 123.036 122.820 0.165 0.000 1.902 463 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 463 A C 2.007 179.743 177.584 0.254 0.000 1.181 463 A CA 1.377 53.537 52.037 0.206 0.000 0.623 463 A CB -0.983 18.150 19.000 0.222 0.000 0.818 463 A HN 0.528 nan 8.150 nan 0.000 0.443 464 F N 1.105 121.096 119.950 0.069 0.000 2.134 464 F HA -0.051 4.476 4.527 -0.002 0.000 0.299 464 F C 2.453 178.226 175.800 -0.045 0.000 1.097 464 F CA 1.263 59.196 58.000 -0.111 0.000 1.264 464 F CB -0.447 38.249 39.000 -0.506 0.000 1.001 464 F HN 0.235 nan 8.300 nan 0.000 0.479 465 A N 0.273 123.058 122.820 -0.059 0.000 1.933 465 A HA 0.003 4.323 4.320 -0.001 0.000 0.218 465 A C 2.196 179.681 177.584 -0.164 0.000 1.175 465 A CA 1.594 53.555 52.037 -0.127 0.000 0.628 465 A CB -1.433 17.586 19.000 0.032 0.000 0.814 465 A HN 0.506 nan 8.150 nan 0.000 0.444 466 A N -2.373 120.398 122.820 -0.083 0.000 2.275 466 A HA 0.357 4.676 4.320 -0.001 0.000 0.212 466 A C 1.048 178.591 177.584 -0.070 0.000 1.201 466 A CA 0.597 52.600 52.037 -0.056 0.000 0.843 466 A CB -1.124 17.882 19.000 0.010 0.000 0.873 466 A HN 1.048 nan 8.150 nan 0.000 0.492 467 c N -0.783 117.741 118.600 -0.126 0.000 4.350 467 c HA -0.134 4.435 4.570 -0.001 0.000 0.302 467 c C 0.548 174.638 174.090 0.001 0.000 1.390 467 c CA 0.007 56.281 56.329 -0.091 0.000 2.016 467 c CB -3.214 39.228 42.510 -0.112 0.000 1.271 467 c HN 0.564 nan 8.230 nan 0.000 0.760 468 L N 0.566 121.818 121.223 0.048 0.000 2.375 468 L HA 0.446 4.785 4.340 -0.001 0.000 0.268 468 L C 0.952 177.848 176.870 0.043 0.000 1.058 468 L CA -0.466 54.401 54.840 0.044 0.000 0.803 468 L CB 0.299 42.386 42.059 0.048 0.000 1.212 468 L HN 0.215 nan 8.230 nan 0.000 0.451 469 E N 2.814 123.004 120.200 -0.016 0.000 2.568 469 E HA -0.057 4.292 4.350 -0.001 0.000 0.262 469 E C -1.842 174.660 176.600 -0.163 0.000 0.961 469 E CA -0.719 55.631 56.400 -0.083 0.000 0.945 469 E CB 0.297 29.955 29.700 -0.071 0.000 0.924 469 E HN 0.319 nan 8.360 nan 0.000 0.467 470 P HA 0.075 nan 4.420 nan 0.000 0.249 470 P C -0.492 176.518 177.300 -0.484 0.000 1.583 470 P CA 0.246 63.089 63.100 -0.428 0.000 0.988 470 P CB -0.266 31.152 31.700 -0.472 0.000 1.530 471 Y N -0.241 120.105 120.300 0.077 0.000 2.736 471 Y HA 0.123 4.672 4.550 -0.001 0.000 0.293 471 Y C 2.011 177.926 175.900 0.024 0.000 1.062 471 Y CA -0.353 57.810 58.100 0.104 0.000 1.247 471 Y CB -0.088 38.501 38.460 0.215 0.000 1.200 471 Y HN -0.052 nan 8.280 nan 0.000 0.552 472 T N -2.639 111.969 114.554 0.090 0.000 2.929 472 T HA -0.117 4.232 4.350 -0.001 0.000 0.271 472 T C 1.480 176.208 174.700 0.045 0.000 1.085 472 T CA 0.940 63.066 62.100 0.043 0.000 1.125 472 T CB -0.018 68.860 68.868 0.016 0.000 0.874 472 T HN 0.365 nan 8.240 nan 0.000 0.494 473 A N 1.035 123.904 122.820 0.082 0.000 3.105 473 A HA 0.441 4.760 4.320 -0.001 0.000 0.272 473 A C 2.042 179.692 177.584 0.111 0.000 1.466 473 A CA -0.049 52.037 52.037 0.081 0.000 1.101 473 A CB -1.659 17.393 19.000 0.086 0.000 1.065 473 A HN 0.829 nan 8.150 nan 0.000 0.643 474 c N -1.643 116.988 118.600 0.051 0.000 2.419 474 c HA 0.001 4.570 4.570 -0.001 0.000 0.281 474 c C 0.692 174.794 174.090 0.021 0.000 1.336 474 c CA 0.399 56.708 56.329 -0.034 0.000 1.770 474 c CB -0.696 41.575 42.510 -0.400 0.000 1.929 474 c HN 0.691 nan 8.230 nan 0.000 0.509 475 D N 0.039 120.451 120.400 0.019 0.000 2.981 475 D HA -0.130 4.509 4.640 -0.001 0.000 0.223 475 D C -0.280 176.029 176.300 0.015 0.000 1.151 475 D CA 0.949 54.972 54.000 0.037 0.000 0.827 475 D CB -1.501 39.349 40.800 0.083 0.000 1.101 475 D HN 0.620 nan 8.370 nan 0.000 0.426 476 L N -0.128 121.067 121.223 -0.046 0.000 2.344 476 L HA 0.679 5.018 4.340 -0.001 0.000 0.272 476 L C 1.158 178.007 176.870 -0.035 0.000 1.035 476 L CA -0.844 53.967 54.840 -0.048 0.000 0.807 476 L CB 1.333 43.315 42.059 -0.130 0.000 1.237 476 L HN 0.006 nan 8.230 nan 0.000 0.442 477 A N 2.834 125.644 122.820 -0.018 0.000 2.366 477 A HA 0.496 4.816 4.320 -0.001 0.000 0.249 477 A C -2.310 175.259 177.584 -0.024 0.000 1.084 477 A CA -1.111 50.917 52.037 -0.014 0.000 0.794 477 A CB -0.490 18.507 19.000 -0.005 0.000 1.034 477 A HN 0.444 nan 8.150 nan 0.000 0.491 478 P HA 0.136 nan 4.420 nan 0.000 0.267 478 P C -2.419 174.868 177.300 -0.022 0.000 1.201 478 P CA -0.472 62.615 63.100 -0.022 0.000 0.775 478 P CB -0.407 31.285 31.700 -0.014 0.000 0.854 479 P HA 0.013 nan 4.420 nan 0.000 0.265 479 P C -0.364 176.926 177.300 -0.016 0.000 1.187 479 P CA 0.466 63.551 63.100 -0.026 0.000 0.766 479 P CB 0.188 31.867 31.700 -0.035 0.000 0.820 480 A N 3.431 126.244 122.820 -0.012 0.000 2.466 480 A HA 0.486 4.805 4.320 -0.001 0.000 0.238 480 A C 1.078 178.659 177.584 -0.006 0.000 1.074 480 A CA 0.435 52.468 52.037 -0.006 0.000 0.774 480 A CB -0.408 18.590 19.000 -0.003 0.000 1.015 480 A HN 0.603 nan 8.150 nan 0.000 0.498 481 G N 0.000 108.799 108.800 -0.002 0.000 5.446 481 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 481 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 481 G CA 0.000 45.100 45.100 0.001 0.000 0.502 481 G HN 0.000 nan 8.290 nan 0.000 0.925