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 2ash_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEFEVKKTFG KARLGVMKLH HGAVETPVFM PVGTNASVKL LTPRDLEEAG DATA SEQUENCE AEIILSNTFH LMLKPGVEII KLHRGLHNFM GWKRPILTDS GGFQVFSLPK DATA SEQUENCE IRIDDEGVVF RSPIDGSKVF LNPEISMEVQ IALGSDICMV FDHCPVXXAD DATA SEQUENCE YEEVKEATER TYRWALRSKK AFKTENQALF GIVQGGIYPD LRRESALQLT DATA SEQUENCE SIGFDGYAIG GLSIGEERSL TLEMTEVTVE FLPEDKPRYF MGGGSPELIL DATA SEQUENCE ELVDRGVDMF DSVFPTRIAR HGTALTWNGK LNLKASYNKR SLEPVDERCG DATA SEQUENCE CYTCKNFTRS YIHHLFDRGE VLGQILLTIH NINFMISLMK EVRRSIESGT DATA SEQUENCE FKELKSKVVE VYS 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.382 176.300 0.137 0.000 1.140 1 M CA 0.000 55.384 55.300 0.140 0.000 0.988 1 M CB 0.000 nan 32.600 nan 0.000 1.302 2 E N 1.683 121.977 120.200 0.157 0.000 2.343 2 E HA 0.940 5.290 4.350 0.001 0.000 0.278 2 E C -1.895 174.846 176.600 0.235 0.000 0.910 2 E CA -0.516 55.978 56.400 0.157 0.000 0.757 2 E CB 2.017 31.778 29.700 0.101 0.000 1.218 2 E HN 2.134 nan 8.360 nan 0.000 0.435 3 F N 0.765 120.753 119.950 0.062 0.000 2.556 3 F HA 0.720 5.247 4.527 0.001 0.000 0.314 3 F C -0.098 175.730 175.800 0.047 0.000 1.106 3 F CA -0.050 57.986 58.000 0.060 0.000 0.911 3 F CB 1.867 40.904 39.000 0.062 0.000 1.190 3 F HN 0.789 nan 8.300 nan 0.000 0.448 4 E N 3.945 123.723 120.200 -0.702 0.000 2.256 4 E HA 0.666 5.017 4.350 0.001 0.000 0.268 4 E C -1.942 174.206 176.600 -0.753 0.000 0.877 4 E CA -0.834 55.244 56.400 -0.537 0.000 0.757 4 E CB 1.862 31.421 29.700 -0.235 0.000 1.183 4 E HN 0.585 nan 8.360 nan 0.000 0.418 5 V N 4.316 123.939 119.914 -0.486 0.000 2.389 5 V HA 0.198 4.319 4.120 0.001 0.000 0.264 5 V C 1.105 177.112 176.094 -0.144 0.000 1.049 5 V CA -0.241 61.894 62.300 -0.274 0.000 0.932 5 V CB 0.728 32.491 31.823 -0.099 0.000 1.011 5 V HN 0.864 nan 8.190 nan 0.000 0.475 6 K N 3.392 123.724 120.400 -0.114 0.000 2.314 6 K HA 0.178 4.498 4.320 0.001 0.000 0.198 6 K C 0.556 177.139 176.600 -0.030 0.000 1.045 6 K CA 0.427 56.675 56.287 -0.065 0.000 0.988 6 K CB 0.517 32.984 32.500 -0.054 0.000 0.783 6 K HN 0.522 nan 8.250 nan 0.000 0.484 7 K N 0.800 121.190 120.400 -0.017 0.000 2.598 7 K HA 0.090 4.410 4.320 0.001 0.000 0.271 7 K C -1.737 174.881 176.600 0.030 0.000 0.947 7 K CA -0.377 55.917 56.287 0.012 0.000 0.854 7 K CB 1.949 34.456 32.500 0.013 0.000 1.401 7 K HN 0.021 nan 8.250 nan 0.000 0.415 8 T N -0.528 114.062 114.554 0.059 0.000 2.893 8 T HA 0.659 5.009 4.350 0.001 0.000 0.291 8 T C -1.231 173.571 174.700 0.170 0.000 1.028 8 T CA -0.655 61.488 62.100 0.072 0.000 0.995 8 T CB 1.095 69.988 68.868 0.042 0.000 1.051 8 T HN 0.357 nan 8.240 nan 0.000 0.470 9 F N 2.299 122.219 119.950 -0.051 0.000 2.810 9 F HA 0.586 5.114 4.527 0.001 0.000 0.373 9 F C 0.816 176.612 175.800 -0.006 0.000 1.174 9 F CA 0.365 58.355 58.000 -0.016 0.000 1.141 9 F CB 0.444 39.445 39.000 0.002 0.000 1.420 9 F HN 1.321 nan 8.300 nan 0.000 0.518 10 G N 5.136 113.777 108.800 -0.266 0.000 2.543 10 G HA2 -0.357 3.604 3.960 0.001 0.000 0.286 10 G HA3 -0.357 3.604 3.960 0.001 0.000 0.286 10 G C 1.008 175.859 174.900 -0.082 0.000 1.153 10 G CA 0.427 45.412 45.100 -0.192 0.000 0.968 10 G HN 0.569 nan 8.290 nan 0.000 0.544 11 K N 1.484 121.848 120.400 -0.060 0.000 2.361 11 K HA 0.482 4.802 4.320 0.001 0.000 0.196 11 K C 1.493 178.070 176.600 -0.038 0.000 1.039 11 K CA 0.573 56.842 56.287 -0.031 0.000 1.001 11 K CB 0.161 32.654 32.500 -0.011 0.000 0.795 11 K HN 0.810 nan 8.250 nan 0.000 0.495 12 A N 2.120 124.876 122.820 -0.107 0.000 2.520 12 A HA 0.116 4.437 4.320 0.001 0.000 0.245 12 A C -0.401 177.140 177.584 -0.072 0.000 1.072 12 A CA 0.257 52.178 52.037 -0.193 0.000 0.761 12 A CB 0.098 18.732 19.000 -0.610 0.000 1.004 12 A HN 0.208 nan 8.150 nan 0.000 0.499 13 R N 1.227 121.716 120.500 -0.018 0.000 2.480 13 R HA 0.482 4.823 4.340 0.001 0.000 0.306 13 R C -1.114 175.218 176.300 0.054 0.000 0.958 13 R CA -0.588 55.538 56.100 0.043 0.000 0.861 13 R CB 1.694 32.063 30.300 0.114 0.000 1.171 13 R HN 0.610 nan 8.270 nan 0.000 0.445 14 L N 2.461 123.702 121.223 0.030 0.000 2.260 14 L HA 0.645 4.985 4.340 0.001 0.000 0.289 14 L C -0.062 176.803 176.870 -0.009 0.000 1.057 14 L CA 0.543 55.400 54.840 0.028 0.000 0.811 14 L CB 1.008 43.073 42.059 0.010 0.000 1.184 14 L HN 0.770 nan 8.230 nan 0.000 0.429 15 G N 3.543 112.350 108.800 0.012 0.000 2.798 15 G HA2 0.734 4.695 3.960 0.001 0.000 0.286 15 G HA3 0.734 4.695 3.960 0.001 0.000 0.286 15 G C -1.915 172.958 174.900 -0.046 0.000 1.389 15 G CA -0.605 44.402 45.100 -0.156 0.000 0.894 15 G HN 0.444 nan 8.290 nan 0.000 0.488 16 V N 0.245 120.072 119.914 -0.144 0.000 2.777 16 V HA 0.505 4.625 4.120 0.001 0.000 0.306 16 V C -0.352 175.826 176.094 0.139 0.000 1.112 16 V CA -0.508 61.813 62.300 0.036 0.000 0.917 16 V CB 1.713 33.535 31.823 -0.002 0.000 1.018 16 V HN 0.753 nan 8.190 nan 0.000 0.426 17 M N 4.557 124.315 119.600 0.264 0.000 2.336 17 M HA 0.585 5.066 4.480 0.001 0.000 0.342 17 M C -0.654 175.752 176.300 0.177 0.000 1.128 17 M CA -0.771 54.705 55.300 0.294 0.000 1.016 17 M CB 1.960 34.733 32.600 0.288 0.000 1.665 17 M HN 0.407 nan 8.290 nan 0.000 0.445 18 K N 5.062 125.556 120.400 0.157 0.000 2.316 18 K HA 0.624 4.944 4.320 0.001 0.000 0.267 18 K C -0.959 175.720 176.600 0.131 0.000 1.025 18 K CA -0.149 56.209 56.287 0.117 0.000 0.896 18 K CB 1.085 33.639 32.500 0.091 0.000 1.124 18 K HN 0.677 nan 8.250 nan 0.000 0.451 19 L N 0.855 122.156 121.223 0.129 0.000 2.304 19 L HA 0.345 4.685 4.340 0.001 0.000 0.268 19 L C 2.106 179.070 176.870 0.157 0.000 1.010 19 L CA -0.951 53.983 54.840 0.157 0.000 0.813 19 L CB 1.102 43.261 42.059 0.167 0.000 1.315 19 L HN 0.701 nan 8.230 nan 0.000 0.445 20 H N -0.072 119.031 119.070 0.056 0.000 2.353 20 H HA -0.180 4.377 4.556 0.001 0.000 0.298 20 H C 0.854 176.058 175.328 -0.206 0.000 1.103 20 H CA 2.056 58.060 56.048 -0.073 0.000 1.293 20 H CB 0.411 30.116 29.762 -0.096 0.000 1.372 20 H HN 0.586 nan 8.280 nan 0.000 0.501 21 H N -1.072 117.934 119.070 -0.106 0.000 2.520 21 H HA 0.349 4.905 4.556 0.001 0.000 0.284 21 H C 0.277 175.538 175.328 -0.113 0.000 1.037 21 H CA 0.373 56.297 56.048 -0.207 0.000 1.168 21 H CB 1.045 30.685 29.762 -0.203 0.000 1.497 21 H HN 0.496 nan 8.280 nan 0.000 0.547 22 G N -0.670 108.151 108.800 0.035 0.000 2.347 22 G HA2 0.419 4.380 3.960 0.001 0.000 0.303 22 G HA3 0.419 4.380 3.960 0.001 0.000 0.303 22 G C -1.412 173.525 174.900 0.062 0.000 1.481 22 G CA -0.508 44.611 45.100 0.033 0.000 0.914 22 G HN 0.311 nan 8.290 nan 0.000 0.638 23 A N -0.449 122.403 122.820 0.053 0.000 2.327 23 A HA 0.795 5.115 4.320 0.001 0.000 0.283 23 A C -0.083 177.552 177.584 0.085 0.000 1.127 23 A CA -0.469 51.610 52.037 0.070 0.000 0.810 23 A CB 1.296 20.327 19.000 0.053 0.000 1.066 23 A HN 1.666 nan 8.150 nan 0.000 0.492 24 V N 3.397 123.375 119.914 0.107 0.000 2.443 24 V HA 0.245 4.365 4.120 0.001 0.000 0.293 24 V C -0.231 175.941 176.094 0.129 0.000 1.021 24 V CA -0.641 61.730 62.300 0.118 0.000 0.848 24 V CB 1.373 33.269 31.823 0.123 0.000 0.998 24 V HN 1.013 nan 8.190 nan 0.000 0.424 25 E N 2.716 122.985 120.200 0.115 0.000 2.343 25 E HA 0.517 4.867 4.350 0.001 0.000 0.269 25 E C -0.052 176.638 176.600 0.150 0.000 1.047 25 E CA -0.403 56.067 56.400 0.116 0.000 0.874 25 E CB 1.460 31.214 29.700 0.090 0.000 1.033 25 E HN 0.744 nan 8.360 nan 0.000 0.409 26 T N -0.864 113.796 114.554 0.176 0.000 2.924 26 T HA 0.464 4.814 4.350 0.001 0.000 0.291 26 T C -2.739 172.069 174.700 0.180 0.000 1.045 26 T CA -2.806 59.419 62.100 0.208 0.000 1.015 26 T CB 1.585 70.627 68.868 0.290 0.000 1.103 26 T HN 0.065 nan 8.240 nan 0.000 0.496 27 P HA 0.358 nan 4.420 nan 0.000 0.269 27 P C -0.939 176.524 177.300 0.271 0.000 1.209 27 P CA -0.466 62.795 63.100 0.268 0.000 0.776 27 P CB 0.637 32.540 31.700 0.337 0.000 0.876 28 V N 4.497 124.600 119.914 0.315 0.000 2.686 28 V HA 0.536 4.656 4.120 0.001 0.000 0.306 28 V C -1.617 174.703 176.094 0.377 0.000 1.065 28 V CA -0.986 61.476 62.300 0.270 0.000 0.894 28 V CB 1.260 33.178 31.823 0.158 0.000 1.004 28 V HN 0.325 nan 8.190 nan 0.000 0.424 29 F N 7.456 127.530 119.950 0.207 0.000 2.405 29 F HA 0.670 5.197 4.527 0.001 0.000 0.355 29 F C 0.043 175.910 175.800 0.113 0.000 1.121 29 F CA -0.586 57.527 58.000 0.189 0.000 1.112 29 F CB 1.456 40.513 39.000 0.095 0.000 1.126 29 F HN 0.477 nan 8.300 nan 0.000 0.481 30 M N 8.912 128.090 119.600 -0.703 0.000 2.063 30 M HA 0.326 4.807 4.480 0.001 0.000 0.348 30 M C -2.323 173.547 176.300 -0.716 0.000 1.180 30 M CA -1.870 53.117 55.300 -0.521 0.000 1.059 30 M CB 0.971 33.357 32.600 -0.356 0.000 1.544 30 M HN 0.348 nan 8.290 nan 0.000 0.447 31 P HA 0.048 nan 4.420 nan 0.000 0.267 31 P C -0.846 176.363 177.300 -0.152 0.000 1.200 31 P CA -0.154 62.894 63.100 -0.087 0.000 0.772 31 P CB 0.513 32.194 31.700 -0.033 0.000 0.855 32 V N 3.121 122.996 119.914 -0.064 0.000 2.417 32 V HA 0.628 4.749 4.120 0.001 0.000 0.291 32 V C 0.798 176.863 176.094 -0.049 0.000 1.024 32 V CA -0.257 62.010 62.300 -0.055 0.000 0.861 32 V CB 1.461 33.292 31.823 0.012 0.000 0.985 32 V HN 0.713 nan 8.190 nan 0.000 0.436 33 G N 2.373 111.129 108.800 -0.073 0.000 2.400 33 G HA2 0.530 4.491 3.960 0.001 0.000 0.333 33 G HA3 0.530 4.491 3.960 0.001 0.000 0.333 33 G C 0.309 175.202 174.900 -0.012 0.000 1.143 33 G CA -0.050 45.015 45.100 -0.058 0.000 0.914 33 G HN 0.595 nan 8.290 nan 0.000 0.480 34 T N 0.461 115.015 114.554 0.001 0.000 3.082 34 T HA 0.022 4.372 4.350 0.001 0.000 0.235 34 T C 1.360 176.083 174.700 0.039 0.000 0.991 34 T CA 0.426 62.546 62.100 0.034 0.000 1.220 34 T CB -0.104 68.769 68.868 0.009 0.000 0.909 34 T HN 0.488 nan 8.240 nan 0.000 0.424 35 N N 1.610 120.316 118.700 0.011 0.000 2.758 35 N HA 0.517 5.258 4.740 0.001 0.000 0.293 35 N C 0.166 175.706 175.510 0.051 0.000 1.273 35 N CA 0.184 53.254 53.050 0.033 0.000 1.022 35 N CB 0.317 38.804 38.487 0.001 0.000 1.334 35 N HN 0.422 nan 8.380 nan 0.000 0.519 36 A N 0.473 123.322 122.820 0.050 0.000 2.822 36 A HA -0.189 4.131 4.320 0.001 0.000 0.287 36 A C 0.375 177.940 177.584 -0.033 0.000 1.479 36 A CA 0.978 53.045 52.037 0.049 0.000 0.779 36 A CB -2.046 17.093 19.000 0.232 0.000 1.022 36 A HN 0.572 nan 8.150 nan 0.000 0.532 37 S N -1.983 113.683 115.700 -0.056 0.000 2.548 37 S HA 0.567 5.038 4.470 0.001 0.000 0.278 37 S C -0.662 173.886 174.600 -0.087 0.000 1.150 37 S CA -0.156 57.993 58.200 -0.085 0.000 0.907 37 S CB 1.524 64.678 63.200 -0.076 0.000 1.108 37 S HN 1.459 nan 8.310 nan 0.000 0.459 38 V N 4.211 124.055 119.914 -0.117 0.000 2.439 38 V HA 0.228 4.348 4.120 0.001 0.000 0.271 38 V C 0.779 176.838 176.094 -0.058 0.000 1.040 38 V CA -0.284 61.960 62.300 -0.094 0.000 1.002 38 V CB 0.122 31.866 31.823 -0.133 0.000 1.000 38 V HN 0.859 nan 8.190 nan 0.000 0.477 39 K N 5.511 125.890 120.400 -0.036 0.000 2.491 39 K HA 0.131 4.452 4.320 0.001 0.000 0.279 39 K C 0.693 177.277 176.600 -0.026 0.000 1.026 39 K CA 0.163 56.432 56.287 -0.030 0.000 1.070 39 K CB 0.067 32.556 32.500 -0.019 0.000 0.887 39 K HN 0.636 nan 8.250 nan 0.000 0.481 40 L N 0.224 121.427 121.223 -0.033 0.000 5.044 40 L HA -0.287 4.053 4.340 0.001 0.000 0.412 40 L C -0.306 176.551 176.870 -0.021 0.000 0.971 40 L CA 0.592 55.415 54.840 -0.029 0.000 1.411 40 L CB -1.428 40.615 42.059 -0.025 0.000 1.884 40 L HN 0.597 nan 8.230 nan 0.000 0.631 41 L N 0.396 121.603 121.223 -0.025 0.000 2.334 41 L HA 0.542 4.883 4.340 0.001 0.000 0.276 41 L C 0.889 177.743 176.870 -0.028 0.000 1.014 41 L CA -0.281 54.547 54.840 -0.020 0.000 0.815 41 L CB 1.906 43.951 42.059 -0.023 0.000 1.268 41 L HN 0.070 nan 8.230 nan 0.000 0.428 42 T N -1.461 113.088 114.554 -0.008 0.000 2.899 42 T HA 0.296 4.646 4.350 0.001 0.000 0.284 42 T C -1.970 172.758 174.700 0.048 0.000 1.004 42 T CA -1.765 60.340 62.100 0.008 0.000 1.043 42 T CB 1.490 70.365 68.868 0.013 0.000 1.013 42 T HN 0.308 nan 8.240 nan 0.000 0.518 43 P HA -0.115 nan 4.420 nan 0.000 0.216 43 P C 1.666 179.131 177.300 0.276 0.000 1.150 43 P CA 0.956 64.222 63.100 0.278 0.000 0.843 43 P CB 0.013 31.915 31.700 0.337 0.000 0.787 44 R N 0.145 120.735 120.500 0.150 0.000 2.083 44 R HA -0.183 4.158 4.340 0.001 0.000 0.237 44 R C 1.682 178.049 176.300 0.111 0.000 1.137 44 R CA 2.086 58.252 56.100 0.110 0.000 0.951 44 R CB -0.796 29.536 30.300 0.054 0.000 0.851 44 R HN 0.101 nan 8.270 nan 0.000 0.434 45 D N 0.588 121.037 120.400 0.082 0.000 2.133 45 D HA -0.197 4.444 4.640 0.001 0.000 0.195 45 D C 2.035 178.400 176.300 0.108 0.000 0.997 45 D CA 1.334 55.378 54.000 0.073 0.000 0.840 45 D CB -0.217 40.610 40.800 0.046 0.000 0.947 45 D HN 0.306 nan 8.370 nan 0.000 0.452 46 L N 0.788 122.089 121.223 0.130 0.000 2.056 46 L HA -0.130 4.211 4.340 0.001 0.000 0.207 46 L C 2.406 179.457 176.870 0.302 0.000 1.078 46 L CA 1.072 56.003 54.840 0.151 0.000 0.749 46 L CB -0.312 41.719 42.059 -0.046 0.000 0.901 46 L HN -0.023 nan 8.230 nan 0.000 0.433 47 E N 0.054 120.480 120.200 0.376 0.000 2.077 47 E HA -0.243 4.107 4.350 0.001 0.000 0.193 47 E C 2.035 178.732 176.600 0.162 0.000 0.989 47 E CA 1.293 57.846 56.400 0.255 0.000 0.800 47 E CB -0.080 29.707 29.700 0.145 0.000 0.746 47 E HN 0.535 nan 8.360 nan 0.000 0.452 48 E N 0.345 120.627 120.200 0.136 0.000 2.204 48 E HA -0.100 4.250 4.350 0.001 0.000 0.194 48 E C 1.880 178.551 176.600 0.119 0.000 0.989 48 E CA 0.621 57.087 56.400 0.110 0.000 0.824 48 E CB 0.006 29.763 29.700 0.095 0.000 0.756 48 E HN 0.196 nan 8.360 nan 0.000 0.477 49 A N 0.465 123.363 122.820 0.130 0.000 2.119 49 A HA 0.129 4.450 4.320 0.001 0.000 0.217 49 A C 1.794 179.451 177.584 0.122 0.000 1.153 49 A CA 0.981 53.090 52.037 0.121 0.000 0.692 49 A CB -0.333 18.734 19.000 0.111 0.000 0.799 49 A HN 0.336 nan 8.150 nan 0.000 0.458 50 G N -2.077 106.806 108.800 0.138 0.000 2.132 50 G HA2 0.129 4.090 3.960 0.001 0.000 0.228 50 G HA3 0.129 4.090 3.960 0.001 0.000 0.228 50 G C 0.281 175.281 174.900 0.166 0.000 1.000 50 G CA 0.226 45.407 45.100 0.135 0.000 0.693 50 G HN 1.562 nan 8.290 nan 0.000 0.515 51 A N -0.124 122.827 122.820 0.219 0.000 2.451 51 A HA 0.644 4.965 4.320 0.001 0.000 0.266 51 A C 1.026 178.815 177.584 0.340 0.000 1.119 51 A CA 0.720 52.908 52.037 0.252 0.000 0.786 51 A CB 0.255 19.375 19.000 0.200 0.000 1.061 51 A HN 0.502 nan 8.150 nan 0.000 0.503 52 E N 1.622 121.974 120.200 0.253 0.000 2.447 52 E HA 0.262 4.613 4.350 0.001 0.000 0.195 52 E C -0.108 176.660 176.600 0.281 0.000 1.028 52 E CA 0.371 56.905 56.400 0.223 0.000 0.876 52 E CB 0.430 30.217 29.700 0.145 0.000 0.885 52 E HN 0.713 nan 8.360 nan 0.000 0.500 53 I N 0.887 121.638 120.570 0.301 0.000 2.787 53 I HA 0.273 4.443 4.170 0.001 0.000 0.294 53 I C -1.664 174.512 176.117 0.100 0.000 1.365 53 I CA -0.990 60.459 61.300 0.248 0.000 1.029 53 I CB 1.716 39.778 38.000 0.102 0.000 1.313 53 I HN -0.100 nan 8.210 nan 0.000 0.431 54 I N 4.364 124.931 120.570 -0.004 0.000 2.957 54 I HA 0.587 4.758 4.170 0.001 0.000 0.310 54 I C -1.829 174.173 176.117 -0.192 0.000 1.063 54 I CA -0.981 60.182 61.300 -0.230 0.000 1.033 54 I CB 2.146 39.816 38.000 -0.551 0.000 1.230 54 I HN 0.616 nan 8.210 nan 0.000 0.447 55 L N 2.620 123.722 121.223 -0.202 0.000 2.295 55 L HA 0.538 4.879 4.340 0.001 0.000 0.285 55 L C -0.291 176.509 176.870 -0.116 0.000 1.035 55 L CA 0.002 54.754 54.840 -0.148 0.000 0.806 55 L CB 1.630 43.616 42.059 -0.121 0.000 1.214 55 L HN 0.796 nan 8.230 nan 0.000 0.426 56 S N 4.389 120.039 115.700 -0.083 0.000 2.473 56 S HA 0.390 4.861 4.470 0.001 0.000 0.307 56 S C -0.442 174.164 174.600 0.010 0.000 1.094 56 S CA -0.794 57.378 58.200 -0.045 0.000 1.070 56 S CB 0.897 64.063 63.200 -0.057 0.000 1.019 56 S HN 0.799 nan 8.310 nan 0.000 0.480 57 N N 1.184 119.914 118.700 0.050 0.000 2.381 57 N HA 0.218 4.958 4.740 0.001 0.000 0.254 57 N C 0.665 176.235 175.510 0.100 0.000 1.264 57 N CA 0.449 53.562 53.050 0.105 0.000 0.942 57 N CB 1.242 39.834 38.487 0.175 0.000 1.190 57 N HN 0.783 nan 8.380 nan 0.000 0.495 58 T N -2.050 112.579 114.554 0.126 0.000 3.130 58 T HA 0.070 4.421 4.350 0.001 0.000 0.288 58 T C 1.272 176.025 174.700 0.088 0.000 0.936 58 T CA -0.432 61.718 62.100 0.084 0.000 0.897 58 T CB -0.512 68.391 68.868 0.058 0.000 1.178 58 T HN 0.393 nan 8.240 nan 0.000 0.543 59 F N 2.674 122.620 119.950 -0.006 0.000 2.128 59 F HA 0.117 4.645 4.527 0.001 0.000 0.295 59 F C 2.040 177.761 175.800 -0.132 0.000 1.100 59 F CA 1.332 59.276 58.000 -0.094 0.000 1.260 59 F CB -0.416 38.502 39.000 -0.136 0.000 1.009 59 F HN 0.225 nan 8.300 nan 0.000 0.476 60 H N -0.046 118.958 119.070 -0.109 0.000 2.423 60 H HA -0.031 4.525 4.556 0.001 0.000 0.297 60 H C 2.268 177.513 175.328 -0.138 0.000 1.075 60 H CA 1.944 57.881 56.048 -0.185 0.000 1.342 60 H CB -0.254 29.487 29.762 -0.034 0.000 1.395 60 H HN 0.275 nan 8.280 nan 0.000 0.530 61 L N -0.296 120.936 121.223 0.015 0.000 2.093 61 L HA -0.176 4.165 4.340 0.001 0.000 0.208 61 L C 2.511 179.331 176.870 -0.085 0.000 1.085 61 L CA 0.992 55.817 54.840 -0.026 0.000 0.755 61 L CB -0.319 41.728 42.059 -0.021 0.000 0.904 61 L HN 0.389 nan 8.230 nan 0.000 0.435 62 M N -0.131 119.406 119.600 -0.104 0.000 2.149 62 M HA -0.249 4.232 4.480 0.001 0.000 0.261 62 M C 2.119 178.335 176.300 -0.139 0.000 1.064 62 M CA 1.875 57.103 55.300 -0.121 0.000 1.102 62 M CB 0.033 32.559 32.600 -0.123 0.000 1.369 62 M HN 0.227 nan 8.290 nan 0.000 0.408 63 L N -0.620 120.491 121.223 -0.185 0.000 2.068 63 L HA -0.005 4.336 4.340 0.001 0.000 0.204 63 L C 0.620 177.438 176.870 -0.087 0.000 1.076 63 L CA 0.728 55.472 54.840 -0.160 0.000 0.753 63 L CB -0.202 41.711 42.059 -0.243 0.000 0.910 63 L HN 0.075 nan 8.230 nan 0.000 0.439 64 K N -0.252 120.114 120.400 -0.057 0.000 2.581 64 K HA 0.265 4.585 4.320 0.001 0.000 0.249 64 K C -2.188 174.405 176.600 -0.010 0.000 0.966 64 K CA -1.300 54.975 56.287 -0.020 0.000 0.811 64 K CB 2.447 34.956 32.500 0.015 0.000 1.223 64 K HN -0.251 nan 8.250 nan 0.000 0.438 65 P HA 0.041 nan 4.420 nan 0.000 0.255 65 P C 0.311 177.556 177.300 -0.091 0.000 1.248 65 P CA 0.370 63.439 63.100 -0.052 0.000 0.807 65 P CB 0.645 32.308 31.700 -0.062 0.000 1.150 66 G N -0.424 108.307 108.800 -0.115 0.000 2.663 66 G HA2 -0.193 3.768 3.960 0.001 0.000 0.686 66 G HA3 -0.193 3.768 3.960 0.001 0.000 0.686 66 G C 0.420 175.243 174.900 -0.130 0.000 1.246 66 G CA -0.510 44.526 45.100 -0.107 0.000 0.795 66 G HN -0.084 nan 8.290 nan 0.000 0.627 67 V N 0.929 120.782 119.914 -0.103 0.000 2.332 67 V HA -0.151 3.970 4.120 0.001 0.000 0.248 67 V C 2.742 178.787 176.094 -0.082 0.000 1.055 67 V CA 2.819 65.063 62.300 -0.093 0.000 1.038 67 V CB -0.414 31.368 31.823 -0.069 0.000 0.651 67 V HN 0.757 nan 8.190 nan 0.000 0.450 68 E N -0.196 119.965 120.200 -0.065 0.000 2.110 68 E HA -0.138 4.213 4.350 0.001 0.000 0.193 68 E C 2.136 178.716 176.600 -0.034 0.000 0.988 68 E CA 1.245 57.620 56.400 -0.043 0.000 0.804 68 E CB -0.245 29.435 29.700 -0.033 0.000 0.745 68 E HN 0.572 nan 8.360 nan 0.000 0.458 69 I N 0.580 121.119 120.570 -0.052 0.000 2.394 69 I HA -0.204 3.966 4.170 0.001 0.000 0.251 69 I C 2.266 178.381 176.117 -0.003 0.000 1.136 69 I CA 0.732 62.024 61.300 -0.014 0.000 1.425 69 I CB -0.122 37.860 38.000 -0.030 0.000 1.079 69 I HN 0.026 nan 8.210 nan 0.000 0.425 70 I N 0.485 120.944 120.570 -0.186 0.000 2.500 70 I HA -0.219 3.952 4.170 0.001 0.000 0.252 70 I C 2.348 178.468 176.117 0.005 0.000 1.142 70 I CA 1.059 62.226 61.300 -0.222 0.000 1.451 70 I CB -0.242 37.550 38.000 -0.347 0.000 1.093 70 I HN 0.098 nan 8.210 nan 0.000 0.430 71 K N 0.833 121.231 120.400 -0.004 0.000 2.103 71 K HA -0.158 4.162 4.320 0.001 0.000 0.207 71 K C 2.044 178.669 176.600 0.043 0.000 1.048 71 K CA 1.295 57.595 56.287 0.022 0.000 0.930 71 K CB -0.213 32.286 32.500 -0.002 0.000 0.716 71 K HN 0.305 nan 8.250 nan 0.000 0.444 72 L N -0.034 121.214 121.223 0.043 0.000 2.191 72 L HA -0.190 4.150 4.340 0.001 0.000 0.212 72 L C 1.625 178.456 176.870 -0.065 0.000 1.103 72 L CA 1.238 56.066 54.840 -0.020 0.000 0.769 72 L CB -0.360 41.664 42.059 -0.059 0.000 0.908 72 L HN 0.281 nan 8.230 nan 0.000 0.438 73 H N -0.640 118.462 119.070 0.054 0.000 2.539 73 H HA 0.152 4.708 4.556 0.001 0.000 0.267 73 H C 0.235 175.619 175.328 0.093 0.000 0.982 73 H CA -0.156 55.955 56.048 0.105 0.000 1.146 73 H CB 0.254 30.133 29.762 0.196 0.000 1.382 73 H HN 0.041 nan 8.280 nan 0.000 0.577 74 R N -0.136 120.458 120.500 0.156 0.000 3.423 74 R HA -0.142 4.198 4.340 0.001 0.000 0.271 74 R C 0.089 176.482 176.300 0.156 0.000 1.093 74 R CA 0.484 56.657 56.100 0.121 0.000 0.730 74 R CB -2.010 28.347 30.300 0.095 0.000 1.190 74 R HN 0.663 nan 8.270 nan 0.000 0.437 75 G N -1.124 107.772 108.800 0.159 0.000 2.515 75 G HA2 -0.052 3.909 3.960 0.001 0.000 0.686 75 G HA3 -0.052 3.909 3.960 0.001 0.000 0.686 75 G C 0.007 175.014 174.900 0.179 0.000 1.274 75 G CA -0.386 44.814 45.100 0.167 0.000 0.874 75 G HN 0.106 nan 8.290 nan 0.000 0.631 76 L N 0.191 121.496 121.223 0.137 0.000 2.141 76 L HA 0.136 4.476 4.340 0.001 0.000 0.209 76 L C 2.460 179.401 176.870 0.118 0.000 1.094 76 L CA 2.873 57.769 54.840 0.093 0.000 0.763 76 L CB -0.909 41.140 42.059 -0.017 0.000 0.908 76 L HN 0.736 nan 8.230 nan 0.000 0.437 77 H N -0.768 118.363 119.070 0.102 0.000 2.321 77 H HA -0.074 4.482 4.556 0.001 0.000 0.300 77 H C 2.049 177.445 175.328 0.114 0.000 1.087 77 H CA 1.810 57.905 56.048 0.079 0.000 1.319 77 H CB -0.168 29.557 29.762 -0.062 0.000 1.379 77 H HN 0.344 nan 8.280 nan 0.000 0.501 78 N N 0.030 118.894 118.700 0.274 0.000 2.142 78 N HA -0.145 4.595 4.740 0.001 0.000 0.186 78 N C 1.694 177.339 175.510 0.226 0.000 1.023 78 N CA 0.763 53.953 53.050 0.234 0.000 0.852 78 N CB -0.551 38.089 38.487 0.254 0.000 0.998 78 N HN 0.222 nan 8.380 nan 0.000 0.424 79 F N 2.059 122.014 119.950 0.008 0.000 2.095 79 F HA -0.110 4.417 4.527 0.001 0.000 0.298 79 F C 2.047 177.777 175.800 -0.116 0.000 1.104 79 F CA 1.373 59.233 58.000 -0.234 0.000 1.232 79 F CB -0.265 38.544 39.000 -0.318 0.000 0.987 79 F HN 0.031 nan 8.300 nan 0.000 0.475 80 M N -1.452 118.119 119.600 -0.048 0.000 2.428 80 M HA 0.426 4.907 4.480 0.001 0.000 0.239 80 M C 1.275 177.579 176.300 0.006 0.000 1.121 80 M CA 0.825 56.056 55.300 -0.115 0.000 1.019 80 M CB -0.108 32.468 32.600 -0.040 0.000 1.485 80 M HN 0.202 nan 8.290 nan 0.000 0.484 81 G N 1.463 110.302 108.800 0.065 0.000 2.179 81 G HA2 -0.263 3.698 3.960 0.001 0.000 0.257 81 G HA3 -0.263 3.698 3.960 0.001 0.000 0.257 81 G C -0.600 174.421 174.900 0.202 0.000 1.010 81 G CA 0.308 45.470 45.100 0.103 0.000 0.736 81 G HN 0.810 nan 8.290 nan 0.000 0.513 82 W N 0.042 121.348 121.300 0.009 0.000 2.329 82 W HA 0.588 5.248 4.660 0.001 0.000 0.312 82 W C 0.417 176.988 176.519 0.086 0.000 1.054 82 W CA -0.443 56.913 57.345 0.018 0.000 1.245 82 W CB 1.043 30.485 29.460 -0.030 0.000 1.255 82 W HN 0.260 nan 8.180 nan 0.000 0.436 83 K N 5.185 125.359 120.400 -0.377 0.000 2.374 83 K HA 0.199 4.519 4.320 0.001 0.000 0.196 83 K C 0.510 176.866 176.600 -0.407 0.000 1.023 83 K CA 0.098 56.220 56.287 -0.276 0.000 1.103 83 K CB 0.194 32.588 32.500 -0.178 0.000 0.848 83 K HN 0.567 nan 8.250 nan 0.000 0.528 84 R N -0.074 119.909 120.500 -0.863 0.000 2.719 84 R HA 0.375 4.715 4.340 0.001 0.000 0.233 84 R C -2.588 173.686 176.300 -0.045 0.000 1.257 84 R CA -2.317 53.489 56.100 -0.490 0.000 1.109 84 R CB 0.622 30.508 30.300 -0.689 0.000 1.447 84 R HN -0.016 nan 8.270 nan 0.000 0.537 85 P HA 0.080 nan 4.420 nan 0.000 0.269 85 P C -0.781 176.746 177.300 0.378 0.000 1.215 85 P CA 0.449 63.737 63.100 0.313 0.000 0.780 85 P CB 0.476 32.311 31.700 0.225 0.000 0.898 86 I N 1.627 122.331 120.570 0.223 0.000 2.533 86 I HA 0.377 4.548 4.170 0.001 0.000 0.290 86 I C -0.460 175.649 176.117 -0.012 0.000 1.056 86 I CA -0.913 60.409 61.300 0.037 0.000 1.057 86 I CB 1.978 39.881 38.000 -0.162 0.000 1.240 86 I HN 0.166 nan 8.210 nan 0.000 0.423 87 L N 6.003 127.171 121.223 -0.092 0.000 2.295 87 L HA 0.596 4.936 4.340 0.001 0.000 0.285 87 L C -0.075 176.732 176.870 -0.105 0.000 1.035 87 L CA -0.084 54.663 54.840 -0.156 0.000 0.806 87 L CB 1.530 43.412 42.059 -0.295 0.000 1.214 87 L HN 0.717 nan 8.230 nan 0.000 0.426 88 T N 0.093 114.606 114.554 -0.069 0.000 2.767 88 T HA 0.306 4.657 4.350 0.001 0.000 0.284 88 T C -0.368 174.338 174.700 0.010 0.000 0.973 88 T CA -0.791 61.298 62.100 -0.018 0.000 0.996 88 T CB 1.250 70.124 68.868 0.009 0.000 0.927 88 T HN 0.620 nan 8.240 nan 0.000 0.456 89 D N 1.927 122.354 120.400 0.045 0.000 2.382 89 D HA 0.200 4.840 4.640 0.001 0.000 0.245 89 D C 1.337 177.700 176.300 0.104 0.000 1.120 89 D CA -0.160 53.890 54.000 0.083 0.000 0.890 89 D CB 0.964 41.824 40.800 0.100 0.000 1.201 89 D HN 0.571 nan 8.370 nan 0.000 0.433 90 S N 2.197 117.975 115.700 0.130 0.000 2.558 90 S HA 0.214 4.684 4.470 0.001 0.000 0.217 90 S C 1.668 176.434 174.600 0.276 0.000 0.975 90 S CA 0.143 58.465 58.200 0.203 0.000 0.912 90 S CB 0.104 63.472 63.200 0.280 0.000 0.776 90 S HN 0.971 nan 8.310 nan 0.000 0.526 91 G N 0.398 109.314 108.800 0.193 0.000 2.141 91 G HA2 -0.184 3.776 3.960 0.001 0.000 0.231 91 G HA3 -0.184 3.776 3.960 0.001 0.000 0.231 91 G C 0.895 175.797 174.900 0.003 0.000 0.984 91 G CA 0.127 45.288 45.100 0.102 0.000 0.660 91 G HN 0.856 nan 8.290 nan 0.000 0.525 92 G N 0.369 109.235 108.800 0.110 0.000 2.446 92 G HA2 -0.024 3.937 3.960 0.001 0.000 0.217 92 G HA3 -0.024 3.937 3.960 0.001 0.000 0.217 92 G C 1.477 176.463 174.900 0.143 0.000 1.168 92 G CA 1.653 46.814 45.100 0.101 0.000 0.771 92 G HN 0.754 nan 8.290 nan 0.000 0.551 93 F N 1.519 121.451 119.950 -0.030 0.000 2.134 93 F HA -0.087 4.441 4.527 0.001 0.000 0.299 93 F C 2.880 178.608 175.800 -0.120 0.000 1.097 93 F CA 1.869 59.845 58.000 -0.040 0.000 1.264 93 F CB -0.283 38.687 39.000 -0.050 0.000 1.001 93 F HN 0.139 nan 8.300 nan 0.000 0.479 94 Q N -0.027 119.570 119.800 -0.340 0.000 2.046 94 Q HA -0.122 4.218 4.340 0.001 0.000 0.200 94 Q C 2.388 177.863 176.000 -0.876 0.000 0.975 94 Q CA 2.063 57.507 55.803 -0.599 0.000 0.836 94 Q CB -0.893 27.471 28.738 -0.623 0.000 0.896 94 Q HN 0.347 nan 8.270 nan 0.000 0.428 95 V N -0.279 119.012 119.914 -1.039 0.000 2.307 95 V HA -0.191 3.930 4.120 0.001 0.000 0.245 95 V C 1.523 177.135 176.094 -0.803 0.000 1.045 95 V CA 1.576 63.180 62.300 -1.160 0.000 1.024 95 V CB -0.487 30.682 31.823 -1.090 0.000 0.651 95 V HN 0.282 nan 8.190 nan 0.000 0.449 96 F N 0.210 119.945 119.950 -0.359 0.000 2.802 96 F HA 0.034 4.562 4.527 0.001 0.000 0.300 96 F C 2.281 177.934 175.800 -0.245 0.000 1.168 96 F CA 0.679 58.549 58.000 -0.217 0.000 1.433 96 F CB -0.437 38.503 39.000 -0.100 0.000 1.115 96 F HN 0.025 nan 8.300 nan 0.000 0.582 97 S N -0.126 115.400 115.700 -0.291 0.000 2.558 97 S HA 0.168 4.639 4.470 0.001 0.000 0.217 97 S C 0.803 175.288 174.600 -0.192 0.000 0.975 97 S CA -0.002 58.011 58.200 -0.312 0.000 0.912 97 S CB -0.172 62.684 63.200 -0.574 0.000 0.776 97 S HN 0.090 nan 8.310 nan 0.000 0.526 98 L N 3.621 124.727 121.223 -0.194 0.000 2.380 98 L HA 0.290 4.630 4.340 0.001 0.000 0.273 98 L C -2.064 174.793 176.870 -0.022 0.000 1.138 98 L CA -1.937 52.846 54.840 -0.096 0.000 0.832 98 L CB 0.099 42.100 42.059 -0.097 0.000 1.124 98 L HN -0.004 nan 8.230 nan 0.000 0.454 99 P HA 0.050 nan 4.420 nan 0.000 0.275 99 P C -0.686 176.646 177.300 0.053 0.000 1.228 99 P CA -0.331 62.788 63.100 0.032 0.000 0.786 99 P CB 0.674 32.394 31.700 0.032 0.000 0.927 100 K N 0.475 120.908 120.400 0.055 0.000 3.096 100 K HA -0.160 4.161 4.320 0.001 0.000 0.266 100 K C 0.634 177.284 176.600 0.084 0.000 1.043 100 K CA 0.741 57.065 56.287 0.063 0.000 0.758 100 K CB -2.304 30.228 32.500 0.054 0.000 1.260 100 K HN 0.685 nan 8.250 nan 0.000 0.481 101 I N -2.650 117.977 120.570 0.094 0.000 2.764 101 I HA 0.357 4.528 4.170 0.001 0.000 0.294 101 I C 0.440 176.631 176.117 0.125 0.000 1.045 101 I CA -0.684 60.690 61.300 0.124 0.000 1.340 101 I CB 1.130 39.187 38.000 0.095 0.000 1.436 101 I HN 0.099 nan 8.210 nan 0.000 0.567 102 R N 5.674 126.260 120.500 0.143 0.000 2.310 102 R HA 0.637 4.978 4.340 0.001 0.000 0.324 102 R C -1.408 175.005 176.300 0.188 0.000 0.955 102 R CA -0.624 55.560 56.100 0.139 0.000 0.830 102 R CB 1.076 31.444 30.300 0.112 0.000 1.154 102 R HN 0.748 nan 8.270 nan 0.000 0.458 103 I N 4.147 124.832 120.570 0.192 0.000 2.474 103 I HA 0.370 4.540 4.170 0.001 0.000 0.294 103 I C -0.488 175.753 176.117 0.207 0.000 1.005 103 I CA -0.670 60.774 61.300 0.240 0.000 1.113 103 I CB 1.913 40.035 38.000 0.203 0.000 1.289 103 I HN 0.694 nan 8.210 nan 0.000 0.436 104 D N 2.115 122.679 120.400 0.273 0.000 2.825 104 D HA 0.205 4.845 4.640 0.001 0.000 0.327 104 D C 0.002 176.503 176.300 0.334 0.000 1.277 104 D CA -0.508 53.628 54.000 0.227 0.000 0.950 104 D CB 0.502 41.412 40.800 0.183 0.000 1.438 104 D HN 0.239 nan 8.370 nan 0.000 0.526 105 D N -0.908 119.654 120.400 0.270 0.000 2.178 105 D HA -0.134 4.506 4.640 0.001 0.000 0.201 105 D C 1.563 178.193 176.300 0.550 0.000 0.980 105 D CA 1.378 55.597 54.000 0.365 0.000 0.842 105 D CB -0.043 40.888 40.800 0.219 0.000 0.948 105 D HN 0.386 nan 8.370 nan 0.000 0.472 106 E N -0.218 120.218 120.200 0.393 0.000 2.077 106 E HA 0.046 4.397 4.350 0.001 0.000 0.193 106 E C 1.035 177.853 176.600 0.364 0.000 0.989 106 E CA 1.058 57.668 56.400 0.350 0.000 0.800 106 E CB -0.055 29.809 29.700 0.274 0.000 0.746 106 E HN 0.490 nan 8.360 nan 0.000 0.452 107 G N -2.092 106.993 108.800 0.475 0.000 2.399 107 G HA2 0.321 4.282 3.960 0.001 0.000 0.256 107 G HA3 0.321 4.282 3.960 0.001 0.000 0.256 107 G C -1.323 173.842 174.900 0.441 0.000 1.236 107 G CA -0.102 45.142 45.100 0.239 0.000 0.914 107 G HN 0.738 nan 8.290 nan 0.000 0.482 108 V N -0.070 120.004 119.914 0.267 0.000 2.638 108 V HA 0.731 4.852 4.120 0.001 0.000 0.306 108 V C -0.787 175.519 176.094 0.353 0.000 1.052 108 V CA -0.641 61.846 62.300 0.312 0.000 0.885 108 V CB 1.642 33.569 31.823 0.174 0.000 0.999 108 V HN 0.890 nan 8.190 nan 0.000 0.424 109 V N 7.793 127.896 119.914 0.315 0.000 2.483 109 V HA 0.704 4.825 4.120 0.001 0.000 0.295 109 V C -0.367 175.843 176.094 0.194 0.000 1.035 109 V CA -0.363 62.052 62.300 0.191 0.000 0.896 109 V CB 1.226 33.118 31.823 0.115 0.000 0.986 109 V HN 0.879 nan 8.190 nan 0.000 0.447 110 F N 1.796 121.770 119.950 0.040 0.000 2.662 110 F HA 0.757 5.285 4.527 0.001 0.000 0.312 110 F C -0.568 175.246 175.800 0.023 0.000 1.113 110 F CA -1.539 56.472 58.000 0.018 0.000 0.951 110 F CB 1.512 40.508 39.000 -0.007 0.000 1.344 110 F HN 0.205 nan 8.300 nan 0.000 0.462 111 R N 1.179 121.776 120.500 0.162 0.000 2.308 111 R HA 0.396 4.737 4.340 0.001 0.000 0.305 111 R C -0.109 176.322 176.300 0.218 0.000 1.053 111 R CA -0.728 55.415 56.100 0.073 0.000 0.957 111 R CB 1.526 31.867 30.300 0.068 0.000 1.022 111 R HN 0.813 nan 8.270 nan 0.000 0.461 112 S N 3.958 119.705 115.700 0.079 0.000 2.575 112 S HA 0.028 4.499 4.470 0.001 0.000 0.295 112 S C -1.336 173.344 174.600 0.134 0.000 1.267 112 S CA -1.221 57.059 58.200 0.133 0.000 1.074 112 S CB 0.512 63.711 63.200 -0.002 0.000 0.829 112 S HN 0.436 nan 8.310 nan 0.000 0.497 113 P HA 0.031 nan 4.420 nan 0.000 0.234 113 P C 0.902 178.276 177.300 0.122 0.000 1.167 113 P CA 0.743 63.934 63.100 0.152 0.000 0.763 113 P CB 0.050 31.883 31.700 0.222 0.000 0.835 114 I N 0.564 121.184 120.570 0.084 0.000 2.512 114 I HA -0.047 4.123 4.170 0.001 0.000 0.247 114 I C 1.489 177.630 176.117 0.039 0.000 1.094 114 I CA 1.480 62.819 61.300 0.066 0.000 1.427 114 I CB -0.096 37.933 38.000 0.049 0.000 1.149 114 I HN -0.031 nan 8.210 nan 0.000 0.438 115 D N -0.738 119.675 120.400 0.022 0.000 2.520 115 D HA 0.158 4.798 4.640 0.001 0.000 0.223 115 D C 1.311 177.616 176.300 0.008 0.000 1.186 115 D CA 0.573 54.579 54.000 0.011 0.000 0.821 115 D CB 0.593 41.392 40.800 -0.003 0.000 1.072 115 D HN 0.320 nan 8.370 nan 0.000 0.518 116 G N 0.828 109.638 108.800 0.017 0.000 2.179 116 G HA2 -0.301 3.659 3.960 0.001 0.000 0.260 116 G HA3 -0.301 3.659 3.960 0.001 0.000 0.260 116 G C 0.470 175.362 174.900 -0.014 0.000 0.977 116 G CA 0.531 45.639 45.100 0.014 0.000 0.641 116 G HN 0.910 nan 8.290 nan 0.000 0.533 117 S N -0.192 115.486 115.700 -0.036 0.000 2.585 117 S HA 0.577 5.047 4.470 0.001 0.000 0.273 117 S C 0.224 174.753 174.600 -0.119 0.000 1.339 117 S CA -0.112 58.048 58.200 -0.066 0.000 1.028 117 S CB 1.445 64.604 63.200 -0.069 0.000 0.906 117 S HN 0.462 nan 8.310 nan 0.000 0.528 118 K N 1.297 121.621 120.400 -0.127 0.000 2.339 118 K HA 0.472 4.793 4.320 0.001 0.000 0.286 118 K C -0.985 175.451 176.600 -0.273 0.000 1.050 118 K CA -0.471 55.702 56.287 -0.190 0.000 0.956 118 K CB 0.887 33.313 32.500 -0.122 0.000 0.990 118 K HN 0.433 nan 8.250 nan 0.000 0.475 119 V N 3.911 123.507 119.914 -0.530 0.000 2.680 119 V HA 0.388 4.509 4.120 0.001 0.000 0.309 119 V C -0.909 174.899 176.094 -0.477 0.000 1.052 119 V CA -0.984 60.964 62.300 -0.586 0.000 0.908 119 V CB 1.355 32.637 31.823 -0.901 0.000 1.001 119 V HN 0.570 nan 8.190 nan 0.000 0.431 120 F N 5.210 124.969 119.950 -0.319 0.000 2.458 120 F HA 0.837 5.364 4.527 0.001 0.000 0.336 120 F C -0.964 174.783 175.800 -0.088 0.000 1.114 120 F CA -1.057 56.845 58.000 -0.162 0.000 0.987 120 F CB 1.497 40.426 39.000 -0.118 0.000 1.130 120 F HN 0.399 nan 8.300 nan 0.000 0.458 121 L N 6.658 127.517 121.223 -0.607 0.000 2.401 121 L HA 0.591 4.932 4.340 0.001 0.000 0.266 121 L C -1.529 174.734 176.870 -1.012 0.000 0.991 121 L CA -0.311 54.117 54.840 -0.687 0.000 0.818 121 L CB 1.813 43.733 42.059 -0.232 0.000 1.321 121 L HN 0.855 nan 8.230 nan 0.000 0.413 122 N N 2.365 120.434 118.700 -1.052 0.000 3.039 122 N HA 0.590 5.331 4.740 0.001 0.000 0.257 122 N C -2.837 172.188 175.510 -0.808 0.000 1.497 122 N CA -1.603 50.888 53.050 -0.931 0.000 0.861 122 N CB 0.930 38.956 38.487 -0.767 0.000 1.479 122 N HN 0.161 nan 8.380 nan 0.000 0.547 123 P HA -0.060 nan 4.420 nan 0.000 0.215 123 P C 0.564 177.750 177.300 -0.190 0.000 1.153 123 P CA 1.657 64.610 63.100 -0.245 0.000 0.853 123 P CB 0.262 31.880 31.700 -0.137 0.000 0.788 124 E N -0.659 119.431 120.200 -0.185 0.000 2.077 124 E HA -0.142 4.208 4.350 0.001 0.000 0.193 124 E C 1.969 178.491 176.600 -0.130 0.000 0.989 124 E CA 1.020 57.359 56.400 -0.102 0.000 0.800 124 E CB -0.964 28.695 29.700 -0.067 0.000 0.746 124 E HN 0.249 nan 8.360 nan 0.000 0.452 125 I N 0.112 120.545 120.570 -0.229 0.000 2.252 125 I HA -0.264 3.907 4.170 0.001 0.000 0.245 125 I C 2.426 178.408 176.117 -0.224 0.000 1.102 125 I CA 1.052 62.216 61.300 -0.227 0.000 1.385 125 I CB -0.257 37.560 38.000 -0.305 0.000 1.064 125 I HN 0.086 nan 8.210 nan 0.000 0.414 126 S N 0.595 116.099 115.700 -0.326 0.000 2.368 126 S HA -0.192 4.279 4.470 0.001 0.000 0.225 126 S C 2.187 176.748 174.600 -0.065 0.000 1.030 126 S CA 1.284 59.335 58.200 -0.248 0.000 0.999 126 S CB -0.036 62.946 63.200 -0.363 0.000 0.844 126 S HN 0.198 nan 8.310 nan 0.000 0.459 127 M N 1.468 121.062 119.600 -0.010 0.000 2.086 127 M HA -0.019 4.462 4.480 0.001 0.000 0.261 127 M C 2.181 178.530 176.300 0.081 0.000 1.067 127 M CA 1.434 56.809 55.300 0.125 0.000 1.116 127 M CB -1.766 30.948 32.600 0.190 0.000 1.348 127 M HN 0.474 nan 8.290 nan 0.000 0.407 128 E N 0.145 120.350 120.200 0.008 0.000 2.065 128 E HA -0.203 4.148 4.350 0.001 0.000 0.201 128 E C 2.021 178.611 176.600 -0.017 0.000 1.016 128 E CA 1.974 58.363 56.400 -0.017 0.000 0.818 128 E CB 0.016 29.689 29.700 -0.045 0.000 0.749 128 E HN 0.267 nan 8.360 nan 0.000 0.453 129 V N 0.893 120.789 119.914 -0.031 0.000 2.287 129 V HA -0.299 3.822 4.120 0.001 0.000 0.248 129 V C 2.385 178.483 176.094 0.007 0.000 1.053 129 V CA 2.089 64.371 62.300 -0.029 0.000 1.027 129 V CB -0.532 31.261 31.823 -0.050 0.000 0.646 129 V HN 0.320 nan 8.190 nan 0.000 0.447 130 Q N -0.801 119.026 119.800 0.045 0.000 2.123 130 Q HA -0.089 4.251 4.340 0.001 0.000 0.199 130 Q C 2.282 178.345 176.000 0.106 0.000 0.966 130 Q CA 1.481 57.339 55.803 0.091 0.000 0.845 130 Q CB -0.178 28.645 28.738 0.142 0.000 0.907 130 Q HN 0.595 nan 8.270 nan 0.000 0.439 131 I N 0.767 121.387 120.570 0.082 0.000 2.127 131 I HA -0.303 3.868 4.170 0.001 0.000 0.241 131 I C 2.456 178.578 176.117 0.008 0.000 1.075 131 I CA 1.102 62.404 61.300 0.004 0.000 1.334 131 I CB -0.435 37.519 38.000 -0.077 0.000 1.040 131 I HN 0.153 nan 8.210 nan 0.000 0.405 132 A N 0.799 123.621 122.820 0.004 0.000 1.940 132 A HA -0.188 4.133 4.320 0.001 0.000 0.219 132 A C 2.295 179.892 177.584 0.022 0.000 1.176 132 A CA 1.570 53.609 52.037 0.003 0.000 0.631 132 A CB -0.900 18.090 19.000 -0.017 0.000 0.814 132 A HN 0.425 nan 8.150 nan 0.000 0.446 133 L N -1.509 119.731 121.223 0.029 0.000 2.141 133 L HA 0.040 4.381 4.340 0.001 0.000 0.209 133 L C 1.854 178.789 176.870 0.109 0.000 1.094 133 L CA 0.760 55.625 54.840 0.042 0.000 0.763 133 L CB -0.653 41.420 42.059 0.024 0.000 0.908 133 L HN 0.622 nan 8.230 nan 0.000 0.437 134 G N 0.592 109.468 108.800 0.127 0.000 2.176 134 G HA2 -0.275 3.685 3.960 0.001 0.000 0.252 134 G HA3 -0.275 3.685 3.960 0.001 0.000 0.252 134 G C 0.302 175.381 174.900 0.298 0.000 1.024 134 G CA 0.322 45.540 45.100 0.196 0.000 0.755 134 G HN 0.443 nan 8.290 nan 0.000 0.507 135 S N -0.741 115.088 115.700 0.215 0.000 2.579 135 S HA 0.428 4.898 4.470 0.001 0.000 0.275 135 S C 0.910 175.661 174.600 0.252 0.000 1.345 135 S CA 0.303 58.630 58.200 0.211 0.000 1.031 135 S CB 1.375 64.620 63.200 0.074 0.000 0.892 135 S HN 0.212 nan 8.310 nan 0.000 0.529 136 D N 0.545 121.109 120.400 0.272 0.000 2.178 136 D HA 0.112 4.752 4.640 0.001 0.000 0.202 136 D C 0.022 176.397 176.300 0.125 0.000 0.974 136 D CA 1.101 55.254 54.000 0.255 0.000 0.841 136 D CB -0.156 40.811 40.800 0.279 0.000 0.953 136 D HN 0.535 nan 8.370 nan 0.000 0.478 137 I N 0.751 121.325 120.570 0.008 0.000 2.447 137 I HA 0.263 4.434 4.170 0.001 0.000 0.287 137 I C -0.871 175.165 176.117 -0.135 0.000 1.023 137 I CA -0.736 60.461 61.300 -0.171 0.000 1.083 137 I CB 1.987 39.682 38.000 -0.508 0.000 1.245 137 I HN -0.058 nan 8.210 nan 0.000 0.434 138 C N 6.559 125.807 119.300 -0.087 0.000 2.366 138 C HA 0.641 5.102 4.460 0.001 0.000 0.345 138 C C 0.245 175.139 174.990 -0.161 0.000 1.209 138 C CA -0.808 58.167 59.018 -0.072 0.000 2.050 138 C CB 1.127 28.886 27.740 0.032 0.000 2.359 138 C HN 0.584 nan 8.230 nan 0.000 0.527 139 M N 2.948 122.496 119.600 -0.087 0.000 2.300 139 M HA 0.351 4.831 4.480 0.001 0.000 0.348 139 M C 0.176 176.448 176.300 -0.048 0.000 1.151 139 M CA -0.430 54.833 55.300 -0.062 0.000 1.046 139 M CB 0.979 33.583 32.600 0.008 0.000 1.647 139 M HN 0.677 nan 8.290 nan 0.000 0.451 140 V N 0.621 120.474 119.914 -0.102 0.000 3.178 140 V HA 0.133 4.253 4.120 0.001 0.000 0.306 140 V C -0.285 175.884 176.094 0.124 0.000 1.107 140 V CA -0.347 61.940 62.300 -0.021 0.000 1.195 140 V CB -0.033 31.718 31.823 -0.120 0.000 0.993 140 V HN 0.659 nan 8.190 nan 0.000 0.493 141 F N 4.587 124.559 119.950 0.036 0.000 2.411 141 F HA 0.547 5.075 4.527 0.001 0.000 0.355 141 F C 0.135 176.097 175.800 0.269 0.000 1.117 141 F CA -1.248 56.812 58.000 0.099 0.000 1.139 141 F CB 0.460 39.458 39.000 -0.003 0.000 1.120 141 F HN 0.916 nan 8.300 nan 0.000 0.493 142 D N 3.444 123.701 120.400 -0.238 0.000 2.340 142 D HA 0.166 4.806 4.640 0.001 0.000 0.243 142 D C -1.131 175.068 176.300 -0.167 0.000 0.988 142 D CA -0.539 53.403 54.000 -0.097 0.000 0.959 142 D CB 0.944 41.681 40.800 -0.105 0.000 1.226 142 D HN 0.757 nan 8.370 nan 0.000 0.509 143 H N -0.492 118.336 119.070 -0.402 0.000 2.741 143 H HA 0.335 4.892 4.556 0.001 0.000 0.282 143 H C -0.777 174.140 175.328 -0.684 0.000 1.122 143 H CA -0.923 54.616 56.048 -0.848 0.000 1.293 143 H CB 0.436 29.589 29.762 -1.015 0.000 1.415 143 H HN 0.355 nan 8.280 nan 0.000 0.472 144 C N 8.267 127.336 119.300 -0.385 0.000 2.394 144 C HA 0.291 4.752 4.460 0.001 0.000 0.362 144 C C -2.160 172.701 174.990 -0.215 0.000 1.268 144 C CA -1.816 57.091 59.018 -0.185 0.000 1.828 144 C CB -0.348 27.428 27.740 0.061 0.000 2.442 144 C HN 0.713 nan 8.230 nan 0.000 0.549 145 P HA 0.217 nan 4.420 nan 0.000 0.264 145 P C 0.128 177.415 177.300 -0.021 0.000 1.193 145 P CA 0.506 63.488 63.100 -0.197 0.000 0.763 145 P CB 0.268 31.870 31.700 -0.163 0.000 0.810 150 D N 0.926 121.355 120.400 0.049 0.000 2.466 150 D HA 0.405 5.046 4.640 0.001 0.000 0.262 150 D C 1.038 177.380 176.300 0.069 0.000 1.177 150 D CA 0.395 54.447 54.000 0.087 0.000 1.035 150 D CB 0.621 41.454 40.800 0.055 0.000 1.105 150 D HN 1.057 nan 8.370 nan 0.000 0.551 151 Y N -0.087 120.150 120.300 -0.104 0.000 2.165 151 Y HA -0.098 4.452 4.550 0.001 0.000 0.286 151 Y C 2.899 178.614 175.900 -0.309 0.000 1.155 151 Y CA 3.254 61.109 58.100 -0.408 0.000 1.164 151 Y CB -0.966 37.175 38.460 -0.531 0.000 0.978 151 Y HN 0.716 nan 8.280 nan 0.000 0.513 152 E N 0.379 120.440 120.200 -0.231 0.000 2.106 152 E HA -0.201 4.149 4.350 0.001 0.000 0.192 152 E C 1.862 178.301 176.600 -0.268 0.000 0.984 152 E CA 1.551 57.784 56.400 -0.279 0.000 0.806 152 E CB -0.788 28.843 29.700 -0.115 0.000 0.750 152 E HN 0.790 nan 8.360 nan 0.000 0.458 153 E N -0.086 120.001 120.200 -0.188 0.000 2.047 153 E HA -0.080 4.271 4.350 0.001 0.000 0.191 153 E C 2.284 178.724 176.600 -0.267 0.000 0.987 153 E CA 1.208 57.499 56.400 -0.181 0.000 0.799 153 E CB -0.072 29.566 29.700 -0.105 0.000 0.752 153 E HN 0.354 nan 8.360 nan 0.000 0.449 154 V N 1.460 121.227 119.914 -0.244 0.000 2.407 154 V HA -0.274 3.846 4.120 0.001 0.000 0.248 154 V C 2.305 178.195 176.094 -0.340 0.000 1.055 154 V CA 1.728 63.886 62.300 -0.237 0.000 1.049 154 V CB -0.373 31.431 31.823 -0.032 0.000 0.662 154 V HN 0.194 nan 8.190 nan 0.000 0.455 155 K N 0.092 120.214 120.400 -0.462 0.000 2.026 155 K HA -0.213 4.108 4.320 0.001 0.000 0.208 155 K C 2.385 178.782 176.600 -0.339 0.000 1.048 155 K CA 1.836 57.847 56.287 -0.460 0.000 0.929 155 K CB -0.196 31.923 32.500 -0.635 0.000 0.713 155 K HN 0.600 nan 8.250 nan 0.000 0.439 156 E N 0.483 120.492 120.200 -0.318 0.000 2.051 156 E HA -0.161 4.190 4.350 0.001 0.000 0.192 156 E C 1.844 178.231 176.600 -0.355 0.000 0.991 156 E CA 1.533 57.772 56.400 -0.269 0.000 0.799 156 E CB -0.874 28.702 29.700 -0.206 0.000 0.748 156 E HN 0.553 nan 8.360 nan 0.000 0.449 157 A N 0.401 122.899 122.820 -0.537 0.000 1.969 157 A HA -0.056 4.265 4.320 0.001 0.000 0.218 157 A C 2.643 179.915 177.584 -0.520 0.000 1.169 157 A CA 2.279 53.797 52.037 -0.865 0.000 0.635 157 A CB -0.718 17.536 19.000 -1.243 0.000 0.810 157 A HN 0.454 nan 8.150 nan 0.000 0.445 158 T N -0.480 113.854 114.554 -0.366 0.000 2.777 158 T HA -0.088 4.262 4.350 0.001 0.000 0.266 158 T C 1.952 176.546 174.700 -0.175 0.000 1.040 158 T CA 1.471 63.425 62.100 -0.243 0.000 1.141 158 T CB -0.216 68.528 68.868 -0.206 0.000 0.868 158 T HN 0.531 nan 8.240 nan 0.000 0.444 159 E N 0.728 120.820 120.200 -0.180 0.000 2.047 159 E HA -0.067 4.283 4.350 0.001 0.000 0.191 159 E C 2.356 178.901 176.600 -0.092 0.000 0.987 159 E CA 0.943 57.288 56.400 -0.092 0.000 0.799 159 E CB -0.240 29.400 29.700 -0.100 0.000 0.752 159 E HN 0.512 nan 8.360 nan 0.000 0.449 160 R N -0.121 120.238 120.500 -0.235 0.000 2.096 160 R HA -0.133 4.208 4.340 0.001 0.000 0.235 160 R C 2.520 178.545 176.300 -0.459 0.000 1.127 160 R CA 1.922 57.772 56.100 -0.417 0.000 0.968 160 R CB -0.573 29.387 30.300 -0.566 0.000 0.861 160 R HN 0.255 nan 8.270 nan 0.000 0.440 161 T N 0.182 114.558 114.554 -0.297 0.000 2.759 161 T HA -0.211 4.140 4.350 0.001 0.000 0.269 161 T C 1.223 175.959 174.700 0.061 0.000 1.042 161 T CA 1.558 63.583 62.100 -0.125 0.000 1.140 161 T CB -0.427 68.362 68.868 -0.130 0.000 0.864 161 T HN 0.376 nan 8.240 nan 0.000 0.455 162 Y N 2.333 122.597 120.300 -0.060 0.000 2.114 162 Y HA -0.102 4.449 4.550 0.001 0.000 0.284 162 Y C 2.402 178.354 175.900 0.086 0.000 1.143 162 Y CA 1.219 59.332 58.100 0.022 0.000 1.135 162 Y CB -0.385 38.070 38.460 -0.009 0.000 0.980 162 Y HN 0.033 nan 8.280 nan 0.000 0.499 163 R N -1.354 119.072 120.500 -0.123 0.000 2.105 163 R HA -0.224 4.117 4.340 0.001 0.000 0.239 163 R C 1.980 178.384 176.300 0.173 0.000 1.135 163 R CA 1.640 57.673 56.100 -0.112 0.000 0.967 163 R CB -0.670 29.624 30.300 -0.009 0.000 0.861 163 R HN 0.399 nan 8.270 nan 0.000 0.442 164 W N 0.376 121.673 121.300 -0.005 0.000 2.467 164 W HA 0.129 4.789 4.660 0.001 0.000 0.275 164 W C 2.325 178.883 176.519 0.066 0.000 1.239 164 W CA 0.222 57.600 57.345 0.055 0.000 1.266 164 W CB -0.762 28.750 29.460 0.087 0.000 1.112 164 W HN 0.154 nan 8.180 nan 0.000 0.576 165 A N 0.070 123.049 122.820 0.265 0.000 1.898 165 A HA -0.141 4.179 4.320 0.001 0.000 0.216 165 A C 2.111 179.870 177.584 0.291 0.000 1.181 165 A CA 1.370 53.561 52.037 0.257 0.000 0.620 165 A CB -0.925 18.245 19.000 0.283 0.000 0.819 165 A HN 0.208 nan 8.150 nan 0.000 0.442 166 L N -0.992 120.306 121.223 0.125 0.000 1.989 166 L HA -0.213 4.128 4.340 0.001 0.000 0.211 166 L C 2.892 179.816 176.870 0.090 0.000 1.071 166 L CA 1.712 56.583 54.840 0.052 0.000 0.749 166 L CB -0.400 41.593 42.059 -0.110 0.000 0.890 166 L HN 0.338 nan 8.230 nan 0.000 0.431 167 R N -0.933 119.630 120.500 0.105 0.000 2.096 167 R HA -0.121 4.220 4.340 0.001 0.000 0.235 167 R C 2.448 178.812 176.300 0.108 0.000 1.127 167 R CA 1.506 57.664 56.100 0.097 0.000 0.968 167 R CB -0.314 30.042 30.300 0.093 0.000 0.861 167 R HN 0.295 nan 8.270 nan 0.000 0.440 168 S N 0.829 116.618 115.700 0.148 0.000 2.345 168 S HA -0.150 4.321 4.470 0.001 0.000 0.220 168 S C 1.789 176.509 174.600 0.200 0.000 1.031 168 S CA 1.165 59.459 58.200 0.157 0.000 0.996 168 S CB -0.108 63.189 63.200 0.161 0.000 0.882 168 S HN 0.283 nan 8.310 nan 0.000 0.445 169 K N 1.640 122.179 120.400 0.233 0.000 2.063 169 K HA -0.143 4.177 4.320 0.001 0.000 0.208 169 K C 2.206 178.914 176.600 0.179 0.000 1.048 169 K CA 1.307 57.725 56.287 0.218 0.000 0.928 169 K CB -0.066 32.508 32.500 0.122 0.000 0.713 169 K HN 0.060 nan 8.250 nan 0.000 0.442 170 K N -0.460 120.016 120.400 0.127 0.000 2.097 170 K HA -0.024 4.296 4.320 0.001 0.000 0.206 170 K C 1.982 178.644 176.600 0.102 0.000 1.049 170 K CA 1.138 57.481 56.287 0.094 0.000 0.933 170 K CB -0.416 32.122 32.500 0.064 0.000 0.717 170 K HN 0.481 nan 8.250 nan 0.000 0.442 171 A N -0.729 122.165 122.820 0.124 0.000 2.251 171 A HA 0.247 4.568 4.320 0.001 0.000 0.209 171 A C 0.745 178.425 177.584 0.160 0.000 1.187 171 A CA -0.028 52.072 52.037 0.106 0.000 0.823 171 A CB -0.342 18.705 19.000 0.078 0.000 0.846 171 A HN 0.386 nan 8.150 nan 0.000 0.486 172 F N 2.138 122.113 119.950 0.041 0.000 2.605 172 F HA 0.275 4.803 4.527 0.001 0.000 0.352 172 F C 0.121 175.939 175.800 0.031 0.000 1.236 172 F CA -0.532 57.496 58.000 0.046 0.000 1.267 172 F CB 0.037 39.087 39.000 0.082 0.000 1.632 172 F HN -0.046 nan 8.300 nan 0.000 0.639 173 K N 4.317 124.599 120.400 -0.197 0.000 2.414 173 K HA 0.438 4.759 4.320 0.001 0.000 0.251 173 K C -0.474 175.958 176.600 -0.281 0.000 1.037 173 K CA -0.285 55.893 56.287 -0.181 0.000 0.980 173 K CB 1.062 33.514 32.500 -0.079 0.000 1.280 173 K HN 0.503 nan 8.250 nan 0.000 0.451 174 T N -0.678 113.668 114.554 -0.347 0.000 2.648 174 T HA 0.390 4.740 4.350 0.001 0.000 0.304 174 T C -1.128 173.440 174.700 -0.220 0.000 1.312 174 T CA -1.137 60.770 62.100 -0.322 0.000 1.023 174 T CB 1.837 70.410 68.868 -0.493 0.000 1.612 174 T HN 0.221 nan 8.240 nan 0.000 0.487 175 E N 0.780 120.871 120.200 -0.180 0.000 2.340 175 E HA 0.470 4.821 4.350 0.001 0.000 0.273 175 E C -0.689 175.808 176.600 -0.171 0.000 0.891 175 E CA -0.977 55.340 56.400 -0.138 0.000 0.757 175 E CB 1.609 31.238 29.700 -0.118 0.000 1.231 175 E HN 0.786 nan 8.360 nan 0.000 0.439 176 N N 0.764 119.371 118.700 -0.155 0.000 2.829 176 N HA -0.177 4.564 4.740 0.001 0.000 0.250 176 N C -0.821 174.647 175.510 -0.070 0.000 1.090 176 N CA 0.948 53.854 53.050 -0.241 0.000 0.781 176 N CB -0.920 37.096 38.487 -0.784 0.000 1.124 176 N HN 0.570 nan 8.380 nan 0.000 0.559 177 Q N -0.374 119.461 119.800 0.058 0.000 2.323 177 Q HA 0.752 5.093 4.340 0.001 0.000 0.271 177 Q C -0.481 175.716 176.000 0.327 0.000 1.048 177 Q CA -0.522 55.408 55.803 0.211 0.000 0.792 177 Q CB 2.367 31.266 28.738 0.268 0.000 1.280 177 Q HN 0.284 nan 8.270 nan 0.000 0.441 178 A N 2.107 125.078 122.820 0.251 0.000 2.286 178 A HA 0.693 5.014 4.320 0.001 0.000 0.286 178 A C -1.104 176.563 177.584 0.137 0.000 1.097 178 A CA -0.416 51.763 52.037 0.236 0.000 0.821 178 A CB 0.671 19.809 19.000 0.230 0.000 1.076 178 A HN 0.557 nan 8.150 nan 0.000 0.490 179 L N 1.378 122.663 121.223 0.103 0.000 2.376 179 L HA 0.707 5.047 4.340 0.001 0.000 0.275 179 L C -1.761 175.240 176.870 0.218 0.000 0.987 179 L CA -0.245 54.528 54.840 -0.113 0.000 0.828 179 L CB 1.045 42.816 42.059 -0.480 0.000 1.249 179 L HN 0.517 nan 8.230 nan 0.000 0.409 180 F N 2.630 122.426 119.950 -0.256 0.000 2.450 180 F HA 0.756 5.284 4.527 0.002 0.000 0.332 180 F C 1.022 176.448 175.800 -0.622 0.000 1.093 180 F CA -1.021 56.769 58.000 -0.351 0.000 1.003 180 F CB 1.824 40.711 39.000 -0.188 0.000 1.151 180 F HN 0.563 nan 8.300 nan 0.000 0.474 181 G N 2.416 110.744 108.800 -0.788 0.000 2.504 181 G HA2 0.614 4.574 3.960 0.001 0.000 0.288 181 G HA3 0.614 4.574 3.960 0.001 0.000 0.288 181 G C -0.949 173.782 174.900 -0.282 0.000 1.182 181 G CA -0.574 43.998 45.100 -0.880 0.000 0.894 181 G HN 0.526 nan 8.290 nan 0.000 0.521 182 I N 0.764 121.220 120.570 -0.190 0.000 2.410 182 I HA 0.192 4.363 4.170 0.001 0.000 0.286 182 I C -0.295 175.777 176.117 -0.076 0.000 1.009 182 I CA -0.814 60.418 61.300 -0.113 0.000 1.111 182 I CB 2.147 40.072 38.000 -0.124 0.000 1.262 182 I HN 0.038 nan 8.210 nan 0.000 0.443 183 V N 6.695 126.572 119.914 -0.061 0.000 2.555 183 V HA 0.205 4.325 4.120 0.001 0.000 0.286 183 V C 0.351 176.384 176.094 -0.101 0.000 1.044 183 V CA -0.261 62.004 62.300 -0.059 0.000 1.026 183 V CB 0.904 32.700 31.823 -0.045 0.000 0.981 183 V HN 0.684 nan 8.190 nan 0.000 0.480 184 Q N 2.268 122.008 119.800 -0.101 0.000 3.106 184 Q HA 0.688 5.029 4.340 0.001 0.000 0.247 184 Q C 0.980 176.923 176.000 -0.095 0.000 1.033 184 Q CA 0.060 55.791 55.803 -0.119 0.000 0.888 184 Q CB 1.548 30.194 28.738 -0.153 0.000 1.586 184 Q HN 0.948 nan 8.270 nan 0.000 0.482 185 G N -1.387 107.362 108.800 -0.084 0.000 2.273 185 G HA2 0.030 3.991 3.960 0.001 0.000 0.162 185 G HA3 0.030 3.991 3.960 0.001 0.000 0.162 185 G C 0.635 175.576 174.900 0.067 0.000 1.006 185 G CA 0.204 45.293 45.100 -0.018 0.000 0.704 185 G HN 1.071 nan 8.290 nan 0.000 0.487 186 G N 0.698 109.497 108.800 -0.002 0.000 2.611 186 G HA2 -0.198 3.762 3.960 0.001 0.000 0.301 186 G HA3 -0.198 3.762 3.960 0.001 0.000 0.301 186 G C 1.102 175.917 174.900 -0.141 0.000 1.233 186 G CA 1.536 46.617 45.100 -0.033 0.000 0.993 186 G HN 1.828 nan 8.290 nan 0.000 0.553 187 I N -1.992 118.332 120.570 -0.410 0.000 3.884 187 I HA 0.551 4.721 4.170 0.001 0.000 0.330 187 I C -0.327 175.484 176.117 -0.509 0.000 1.451 187 I CA -0.631 60.399 61.300 -0.450 0.000 1.165 187 I CB 0.023 37.749 38.000 -0.458 0.000 1.097 187 I HN 0.232 nan 8.210 nan 0.000 0.404 188 Y N 1.793 122.114 120.300 0.035 0.000 2.417 188 Y HA 0.466 5.017 4.550 0.001 0.000 0.336 188 Y C -1.776 174.140 175.900 0.025 0.000 0.961 188 Y CA -2.791 55.343 58.100 0.058 0.000 1.215 188 Y CB 0.734 39.305 38.460 0.186 0.000 1.120 188 Y HN -0.057 nan 8.280 nan 0.000 0.499 189 P HA -0.180 nan 4.420 nan 0.000 0.216 189 P C 1.091 178.410 177.300 0.032 0.000 1.150 189 P CA 1.775 64.910 63.100 0.058 0.000 0.837 189 P CB 0.360 32.090 31.700 0.049 0.000 0.786 190 D N 0.280 120.714 120.400 0.055 0.000 2.104 190 D HA -0.175 4.466 4.640 0.001 0.000 0.194 190 D C 1.996 178.277 176.300 -0.032 0.000 0.994 190 D CA 1.231 55.234 54.000 0.004 0.000 0.830 190 D CB -1.124 39.698 40.800 0.038 0.000 0.959 190 D HN 0.204 nan 8.370 nan 0.000 0.452 191 L N -0.207 121.036 121.223 0.035 0.000 2.056 191 L HA -0.067 4.273 4.340 0.001 0.000 0.207 191 L C 3.002 179.832 176.870 -0.066 0.000 1.078 191 L CA 0.787 55.613 54.840 -0.023 0.000 0.749 191 L CB -0.348 41.724 42.059 0.022 0.000 0.901 191 L HN -0.048 nan 8.230 nan 0.000 0.433 192 R N -0.281 120.198 120.500 -0.035 0.000 2.075 192 R HA -0.136 4.205 4.340 0.001 0.000 0.232 192 R C 2.495 178.710 176.300 -0.142 0.000 1.126 192 R CA 1.246 57.309 56.100 -0.062 0.000 0.963 192 R CB -0.635 29.656 30.300 -0.016 0.000 0.858 192 R HN 0.194 nan 8.270 nan 0.000 0.435 193 R N 1.121 121.486 120.500 -0.225 0.000 2.081 193 R HA -0.152 4.188 4.340 0.001 0.000 0.235 193 R C 2.488 178.475 176.300 -0.522 0.000 1.131 193 R CA 2.159 57.920 56.100 -0.565 0.000 0.960 193 R CB -0.873 29.032 30.300 -0.658 0.000 0.856 193 R HN 0.642 nan 8.270 nan 0.000 0.436 194 E N -0.393 119.612 120.200 -0.326 0.000 2.072 194 E HA -0.110 4.241 4.350 0.001 0.000 0.191 194 E C 2.080 178.531 176.600 -0.248 0.000 0.985 194 E CA 1.602 57.839 56.400 -0.272 0.000 0.801 194 E CB -1.167 28.410 29.700 -0.205 0.000 0.750 194 E HN 0.624 nan 8.360 nan 0.000 0.452 195 S N -0.567 115.014 115.700 -0.198 0.000 2.368 195 S HA 0.081 4.552 4.470 0.001 0.000 0.224 195 S C 2.459 176.983 174.600 -0.127 0.000 1.029 195 S CA 1.590 59.700 58.200 -0.151 0.000 0.988 195 S CB -0.467 62.666 63.200 -0.111 0.000 0.838 195 S HN 0.806 nan 8.310 nan 0.000 0.462 196 A N 1.390 124.125 122.820 -0.141 0.000 1.908 196 A HA -0.001 4.320 4.320 0.001 0.000 0.218 196 A C 2.196 179.700 177.584 -0.132 0.000 1.181 196 A CA 1.524 53.490 52.037 -0.119 0.000 0.627 196 A CB -0.830 18.129 19.000 -0.068 0.000 0.818 196 A HN 0.571 nan 8.150 nan 0.000 0.445 197 L N -1.103 120.009 121.223 -0.184 0.000 2.056 197 L HA -0.236 4.104 4.340 0.001 0.000 0.207 197 L C 2.910 179.699 176.870 -0.135 0.000 1.078 197 L CA 1.502 56.255 54.840 -0.145 0.000 0.749 197 L CB -0.572 41.370 42.059 -0.194 0.000 0.901 197 L HN 0.480 nan 8.230 nan 0.000 0.433 198 Q N -0.101 119.573 119.800 -0.210 0.000 2.030 198 Q HA -0.228 4.113 4.340 0.001 0.000 0.204 198 Q C 2.333 178.337 176.000 0.006 0.000 0.986 198 Q CA 1.650 57.265 55.803 -0.313 0.000 0.843 198 Q CB -0.186 28.180 28.738 -0.620 0.000 0.904 198 Q HN 0.501 nan 8.270 nan 0.000 0.420 199 L N -0.625 120.674 121.223 0.126 0.000 2.109 199 L HA -0.126 4.215 4.340 0.001 0.000 0.207 199 L C 2.491 179.618 176.870 0.428 0.000 1.086 199 L CA 0.964 56.040 54.840 0.393 0.000 0.760 199 L CB -0.605 41.684 42.059 0.384 0.000 0.910 199 L HN 0.233 nan 8.230 nan 0.000 0.437 200 T N -0.298 114.346 114.554 0.150 0.000 2.737 200 T HA -0.202 4.149 4.350 0.001 0.000 0.269 200 T C 2.101 176.855 174.700 0.090 0.000 1.040 200 T CA 1.872 63.991 62.100 0.032 0.000 1.142 200 T CB -0.166 68.606 68.868 -0.161 0.000 0.861 200 T HN 0.561 nan 8.240 nan 0.000 0.456 201 S N 0.266 116.011 115.700 0.075 0.000 2.447 201 S HA 0.036 4.507 4.470 0.001 0.000 0.233 201 S C 1.952 176.611 174.600 0.098 0.000 1.006 201 S CA 0.639 58.883 58.200 0.073 0.000 0.957 201 S CB -0.531 62.698 63.200 0.048 0.000 0.773 201 S HN 0.566 nan 8.310 nan 0.000 0.507 202 I N 1.209 121.865 120.570 0.142 0.000 2.429 202 I HA 0.259 4.429 4.170 0.001 0.000 0.247 202 I C 1.351 177.375 176.117 -0.155 0.000 1.099 202 I CA 0.728 62.051 61.300 0.038 0.000 1.422 202 I CB -0.663 37.393 38.000 0.094 0.000 1.112 202 I HN 0.570 nan 8.210 nan 0.000 0.430 203 G N 1.415 110.135 108.800 -0.134 0.000 3.445 203 G HA2 -0.124 3.837 3.960 0.001 0.000 0.686 203 G HA3 -0.124 3.837 3.960 0.001 0.000 0.686 203 G C -0.893 173.693 174.900 -0.524 0.000 1.113 203 G CA -0.849 44.167 45.100 -0.140 0.000 0.974 203 G HN 0.047 nan 8.290 nan 0.000 0.492 204 F N 0.393 120.344 119.950 0.001 0.000 2.664 204 F HA 0.568 5.096 4.527 0.001 0.000 0.329 204 F C 1.083 176.697 175.800 -0.311 0.000 1.090 204 F CA -0.979 56.880 58.000 -0.236 0.000 0.978 204 F CB 1.216 39.938 39.000 -0.465 0.000 1.378 204 F HN 0.295 nan 8.300 nan 0.000 0.495 205 D N 0.089 120.471 120.400 -0.031 0.000 2.317 205 D HA 0.227 4.867 4.640 0.001 0.000 0.211 205 D C 0.611 176.632 176.300 -0.464 0.000 0.966 205 D CA 0.995 54.951 54.000 -0.073 0.000 0.876 205 D CB 0.349 41.252 40.800 0.173 0.000 0.927 205 D HN 0.609 nan 8.370 nan 0.000 0.519 206 G N -0.891 107.266 108.800 -1.073 0.000 2.523 206 G HA2 0.421 4.382 3.960 0.001 0.000 0.291 206 G HA3 0.421 4.382 3.960 0.001 0.000 0.291 206 G C -2.143 171.801 174.900 -1.594 0.000 1.450 206 G CA -0.848 43.229 45.100 -1.705 0.000 0.790 206 G HN -0.045 nan 8.290 nan 0.000 0.496 207 Y N -0.127 119.787 120.300 -0.645 0.000 2.373 207 Y HA 0.694 5.245 4.550 0.001 0.000 0.336 207 Y C 0.540 176.365 175.900 -0.125 0.000 0.979 207 Y CA -0.451 57.490 58.100 -0.266 0.000 1.080 207 Y CB 2.323 40.688 38.460 -0.158 0.000 1.190 207 Y HN 0.859 nan 8.280 nan 0.000 0.446 208 A N 3.907 126.756 122.820 0.047 0.000 2.295 208 A HA 0.824 5.145 4.320 0.001 0.000 0.318 208 A C -0.687 176.813 177.584 -0.141 0.000 1.134 208 A CA -0.717 51.273 52.037 -0.078 0.000 0.827 208 A CB 0.515 19.394 19.000 -0.202 0.000 1.136 208 A HN 0.747 nan 8.150 nan 0.000 0.493 209 I N 2.251 122.670 120.570 -0.252 0.000 2.330 209 I HA 0.431 4.602 4.170 0.001 0.000 0.286 209 I C 0.770 176.618 176.117 -0.449 0.000 1.025 209 I CA -0.223 60.925 61.300 -0.253 0.000 1.197 209 I CB 1.226 39.141 38.000 -0.141 0.000 1.358 209 I HN 0.694 nan 8.210 nan 0.000 0.467 210 G N 2.805 111.407 108.800 -0.330 0.000 2.461 210 G HA2 0.536 4.496 3.960 0.001 0.000 0.329 210 G HA3 0.536 4.496 3.960 0.001 0.000 0.329 210 G C 0.692 175.415 174.900 -0.295 0.000 1.170 210 G CA -0.169 44.727 45.100 -0.341 0.000 0.935 210 G HN 0.940 nan 8.290 nan 0.000 0.492 211 G N -1.313 107.319 108.800 -0.280 0.000 2.143 211 G HA2 -0.209 3.751 3.960 0.001 0.000 0.249 211 G HA3 -0.209 3.751 3.960 0.001 0.000 0.249 211 G C 0.185 174.973 174.900 -0.187 0.000 0.981 211 G CA 0.676 45.661 45.100 -0.193 0.000 0.665 211 G HN 0.669 nan 8.290 nan 0.000 0.528 212 L N -1.003 120.058 121.223 -0.271 0.000 2.271 212 L HA 0.784 5.124 4.340 0.001 0.000 0.265 212 L C 1.579 178.390 176.870 -0.098 0.000 1.013 212 L CA -0.417 54.339 54.840 -0.141 0.000 0.820 212 L CB 1.749 43.788 42.059 -0.032 0.000 1.352 212 L HN 0.360 nan 8.230 nan 0.000 0.443 213 S N 0.540 116.290 115.700 0.083 0.000 3.521 213 S HA -0.157 4.314 4.470 0.001 0.000 0.362 213 S C 0.449 175.025 174.600 -0.041 0.000 1.044 213 S CA 1.048 59.294 58.200 0.077 0.000 1.091 213 S CB -0.946 62.391 63.200 0.228 0.000 0.908 213 S HN 0.597 nan 8.310 nan 0.000 0.473 214 I N -3.315 117.220 120.570 -0.058 0.000 4.009 214 I HA 0.613 4.784 4.170 0.001 0.000 0.331 214 I C 1.275 177.403 176.117 0.019 0.000 1.462 214 I CA 0.296 61.566 61.300 -0.049 0.000 1.117 214 I CB 0.218 38.185 38.000 -0.055 0.000 1.091 214 I HN 0.417 nan 8.210 nan 0.000 0.410 215 G N 1.645 110.450 108.800 0.009 0.000 2.813 215 G HA2 -0.186 3.775 3.960 0.001 0.000 0.194 215 G HA3 -0.186 3.775 3.960 0.001 0.000 0.194 215 G C 0.160 175.062 174.900 0.003 0.000 1.010 215 G CA 0.008 45.118 45.100 0.016 0.000 0.771 215 G HN 0.531 nan 8.290 nan 0.000 0.485 216 E N 2.137 122.333 120.200 -0.006 0.000 2.422 216 E HA 0.373 4.724 4.350 0.001 0.000 0.260 216 E C -0.261 176.330 176.600 -0.014 0.000 1.108 216 E CA 0.062 56.450 56.400 -0.019 0.000 0.943 216 E CB 0.521 30.198 29.700 -0.038 0.000 0.961 216 E HN 0.110 nan 8.360 nan 0.000 0.443 217 E N 0.589 120.777 120.200 -0.020 0.000 2.413 217 E HA -0.051 4.300 4.350 0.001 0.000 0.263 217 E C 0.936 177.527 176.600 -0.016 0.000 1.015 217 E CA 0.378 56.767 56.400 -0.017 0.000 0.916 217 E CB 0.789 30.477 29.700 -0.020 0.000 0.947 217 E HN 0.614 nan 8.360 nan 0.000 0.440 218 R N 2.172 122.662 120.500 -0.017 0.000 2.117 218 R HA -0.173 4.168 4.340 0.001 0.000 0.243 218 R C 2.388 178.677 176.300 -0.018 0.000 1.143 218 R CA 2.623 58.711 56.100 -0.020 0.000 0.968 218 R CB -0.931 29.351 30.300 -0.029 0.000 0.863 218 R HN 0.573 nan 8.270 nan 0.000 0.444 219 S N -0.187 115.503 115.700 -0.017 0.000 2.382 219 S HA -0.125 4.346 4.470 0.001 0.000 0.228 219 S C 2.104 176.696 174.600 -0.013 0.000 1.027 219 S CA 1.324 59.515 58.200 -0.015 0.000 0.991 219 S CB -0.539 62.652 63.200 -0.015 0.000 0.823 219 S HN 0.386 nan 8.310 nan 0.000 0.469 220 L N 1.198 122.410 121.223 -0.018 0.000 2.093 220 L HA -0.072 4.268 4.340 0.001 0.000 0.208 220 L C 2.972 179.841 176.870 -0.002 0.000 1.085 220 L CA 1.551 56.377 54.840 -0.023 0.000 0.755 220 L CB -1.207 40.825 42.059 -0.046 0.000 0.904 220 L HN 0.387 nan 8.230 nan 0.000 0.435 221 T N 0.517 115.081 114.554 0.016 0.000 2.665 221 T HA -0.222 4.128 4.350 0.001 0.000 0.268 221 T C 1.901 176.638 174.700 0.062 0.000 1.035 221 T CA 1.477 63.618 62.100 0.067 0.000 1.151 221 T CB -0.313 68.592 68.868 0.060 0.000 0.862 221 T HN 0.206 nan 8.240 nan 0.000 0.438 222 L N 0.685 121.916 121.223 0.014 0.000 2.044 222 L HA -0.056 4.284 4.340 0.001 0.000 0.205 222 L C 3.034 179.918 176.870 0.024 0.000 1.075 222 L CA 1.290 56.134 54.840 0.007 0.000 0.747 222 L CB -0.789 41.264 42.059 -0.010 0.000 0.903 222 L HN 0.210 nan 8.230 nan 0.000 0.435 223 E N 0.032 120.242 120.200 0.017 0.000 2.110 223 E HA -0.219 4.131 4.350 0.001 0.000 0.193 223 E C 2.212 178.831 176.600 0.031 0.000 0.988 223 E CA 1.289 57.700 56.400 0.018 0.000 0.804 223 E CB -0.147 29.556 29.700 0.005 0.000 0.745 223 E HN 0.311 nan 8.360 nan 0.000 0.458 224 M N 0.164 119.784 119.600 0.033 0.000 2.254 224 M HA -0.006 4.475 4.480 0.001 0.000 0.265 224 M C 2.449 178.792 176.300 0.072 0.000 1.066 224 M CA 1.694 57.019 55.300 0.040 0.000 1.123 224 M CB -1.537 31.074 32.600 0.018 0.000 1.388 224 M HN 0.306 nan 8.290 nan 0.000 0.425 225 T N 0.646 115.263 114.554 0.105 0.000 2.708 225 T HA -0.160 4.190 4.350 0.001 0.000 0.266 225 T C 1.730 176.482 174.700 0.086 0.000 1.037 225 T CA 1.570 63.748 62.100 0.131 0.000 1.146 225 T CB -0.195 68.763 68.868 0.149 0.000 0.865 225 T HN 0.466 nan 8.240 nan 0.000 0.435 226 E N 0.439 120.677 120.200 0.063 0.000 2.085 226 E HA -0.112 4.238 4.350 0.001 0.000 0.194 226 E C 2.357 178.991 176.600 0.057 0.000 0.994 226 E CA 1.047 57.474 56.400 0.045 0.000 0.801 226 E CB -0.325 29.393 29.700 0.031 0.000 0.743 226 E HN 0.229 nan 8.360 nan 0.000 0.453 227 V N 1.124 121.087 119.914 0.082 0.000 2.343 227 V HA -0.261 3.859 4.120 0.001 0.000 0.247 227 V C 2.281 178.507 176.094 0.221 0.000 1.051 227 V CA 2.198 64.584 62.300 0.144 0.000 1.036 227 V CB -0.623 31.270 31.823 0.117 0.000 0.654 227 V HN 0.353 nan 8.190 nan 0.000 0.451 228 T N -0.441 114.198 114.554 0.143 0.000 2.770 228 T HA -0.117 4.233 4.350 0.001 0.000 0.263 228 T C 1.936 176.710 174.700 0.123 0.000 1.039 228 T CA 1.454 63.636 62.100 0.136 0.000 1.142 228 T CB -0.157 68.748 68.868 0.062 0.000 0.868 228 T HN 0.261 nan 8.240 nan 0.000 0.435 229 V N 1.648 121.604 119.914 0.070 0.000 2.490 229 V HA -0.152 3.969 4.120 0.001 0.000 0.250 229 V C 2.497 178.569 176.094 -0.036 0.000 1.061 229 V CA 1.616 63.929 62.300 0.022 0.000 1.064 229 V CB -0.580 31.260 31.823 0.029 0.000 0.670 229 V HN 0.569 nan 8.190 nan 0.000 0.461 230 E N -0.226 119.931 120.200 -0.072 0.000 2.209 230 E HA -0.224 4.126 4.350 0.001 0.000 0.196 230 E C 1.363 177.638 176.600 -0.540 0.000 0.993 230 E CA 1.480 57.690 56.400 -0.318 0.000 0.819 230 E CB -0.025 29.413 29.700 -0.437 0.000 0.745 230 E HN 0.694 nan 8.360 nan 0.000 0.477 231 F N 0.054 119.963 119.950 -0.069 0.000 2.654 231 F HA 0.305 4.833 4.527 0.001 0.000 0.303 231 F C 0.055 175.759 175.800 -0.159 0.000 1.099 231 F CA -0.252 57.689 58.000 -0.098 0.000 1.270 231 F CB 0.593 39.535 39.000 -0.096 0.000 1.024 231 F HN -0.146 nan 8.300 nan 0.000 0.548 232 L N 2.147 123.336 121.223 -0.057 0.000 2.317 232 L HA 0.470 4.811 4.340 0.001 0.000 0.281 232 L C -2.222 174.583 176.870 -0.109 0.000 1.024 232 L CA -2.177 52.562 54.840 -0.170 0.000 0.810 232 L CB 1.331 43.313 42.059 -0.129 0.000 1.240 232 L HN -0.211 nan 8.230 nan 0.000 0.427 233 P HA 0.029 nan 4.420 nan 0.000 0.266 233 P C 0.409 177.728 177.300 0.032 0.000 1.195 233 P CA -0.103 62.989 63.100 -0.012 0.000 0.768 233 P CB 0.717 32.444 31.700 0.044 0.000 0.838 234 E N 0.301 120.528 120.200 0.044 0.000 2.274 234 E HA -0.120 4.231 4.350 0.001 0.000 0.194 234 E C 1.074 177.770 176.600 0.160 0.000 0.996 234 E CA 1.386 57.834 56.400 0.080 0.000 0.840 234 E CB -0.783 28.949 29.700 0.054 0.000 0.772 234 E HN 0.721 nan 8.360 nan 0.000 0.491 235 D N -0.290 120.203 120.400 0.155 0.000 2.325 235 D HA 0.004 4.645 4.640 0.001 0.000 0.225 235 D C 0.356 176.847 176.300 0.317 0.000 1.096 235 D CA 0.084 54.221 54.000 0.229 0.000 0.844 235 D CB 0.078 40.964 40.800 0.144 0.000 0.925 235 D HN 0.030 nan 8.370 nan 0.000 0.513 236 K N 0.778 121.287 120.400 0.181 0.000 2.385 236 K HA 0.468 4.789 4.320 0.001 0.000 0.248 236 K C -2.868 173.480 176.600 -0.420 0.000 0.955 236 K CA -2.227 54.030 56.287 -0.049 0.000 0.816 236 K CB 1.717 34.230 32.500 0.022 0.000 1.250 236 K HN -0.117 nan 8.250 nan 0.000 0.434 237 P HA 0.205 nan 4.420 nan 0.000 0.269 237 P C -0.807 176.273 177.300 -0.368 0.000 1.209 237 P CA -0.291 62.324 63.100 -0.809 0.000 0.776 237 P CB 0.473 31.805 31.700 -0.613 0.000 0.876 238 R N 1.924 122.309 120.500 -0.193 0.000 2.387 238 R HA 0.472 4.812 4.340 0.001 0.000 0.314 238 R C -1.032 175.278 176.300 0.016 0.000 0.958 238 R CA -0.502 55.570 56.100 -0.048 0.000 0.846 238 R CB 0.556 30.847 30.300 -0.015 0.000 1.147 238 R HN 0.455 nan 8.270 nan 0.000 0.447 239 Y N 4.302 124.560 120.300 -0.070 0.000 2.332 239 Y HA 0.419 4.970 4.550 0.001 0.000 0.326 239 Y C -1.697 174.182 175.900 -0.036 0.000 0.978 239 Y CA -2.452 55.601 58.100 -0.077 0.000 1.205 239 Y CB 0.638 39.136 38.460 0.064 0.000 1.131 239 Y HN 0.600 nan 8.280 nan 0.000 0.462 240 F N 7.500 127.350 119.950 -0.167 0.000 2.424 240 F HA 0.494 5.021 4.527 0.001 0.000 0.356 240 F C -0.457 175.179 175.800 -0.274 0.000 1.110 240 F CA -0.521 57.365 58.000 -0.190 0.000 1.161 240 F CB 0.625 39.627 39.000 0.004 0.000 1.115 240 F HN 0.536 nan 8.300 nan 0.000 0.507 241 M N 6.290 125.383 119.600 -0.844 0.000 2.120 241 M HA 0.430 4.910 4.480 0.001 0.000 0.354 241 M C 0.587 176.685 176.300 -0.337 0.000 1.287 241 M CA 0.379 55.308 55.300 -0.618 0.000 1.103 241 M CB 0.511 32.701 32.600 -0.683 0.000 1.623 241 M HN 0.930 nan 8.290 nan 0.000 0.471 242 G N 1.899 110.700 108.800 0.002 0.000 2.725 242 G HA2 0.180 4.140 3.960 0.001 0.000 0.220 242 G HA3 0.180 4.140 3.960 0.001 0.000 0.220 242 G C 0.225 175.292 174.900 0.278 0.000 1.357 242 G CA -0.425 44.715 45.100 0.066 0.000 0.866 242 G HN 1.418 nan 8.290 nan 0.000 0.548 243 G N -1.201 107.711 108.800 0.186 0.000 4.315 243 G HA2 0.373 4.334 3.960 0.001 0.000 0.280 243 G HA3 0.373 4.334 3.960 0.001 0.000 0.280 243 G C 1.831 176.780 174.900 0.082 0.000 1.649 243 G CA 2.363 47.558 45.100 0.158 0.000 1.108 243 G HN 3.139 nan 8.290 nan 0.000 0.667 244 G N -0.375 108.513 108.800 0.146 0.000 2.180 244 G HA2 0.008 3.968 3.960 0.001 0.000 0.263 244 G HA3 0.008 3.968 3.960 0.001 0.000 0.263 244 G C 0.716 175.562 174.900 -0.091 0.000 0.989 244 G CA 1.778 46.989 45.100 0.185 0.000 0.692 244 G HN 2.201 nan 8.290 nan 0.000 0.526 245 S N 0.336 115.826 115.700 -0.351 0.000 2.564 245 S HA 0.471 4.941 4.470 0.001 0.000 0.278 245 S C 0.079 174.462 174.600 -0.362 0.000 1.333 245 S CA -0.544 57.339 58.200 -0.530 0.000 1.048 245 S CB 1.083 63.931 63.200 -0.586 0.000 0.900 245 S HN 0.052 nan 8.310 nan 0.000 0.505 246 P HA -0.183 nan 4.420 nan 0.000 0.216 246 P C 1.515 178.636 177.300 -0.300 0.000 1.153 246 P CA 1.183 64.016 63.100 -0.446 0.000 0.858 246 P CB -0.009 31.199 31.700 -0.819 0.000 0.789 247 E N -0.113 119.957 120.200 -0.216 0.000 2.152 247 E HA -0.151 4.200 4.350 0.001 0.000 0.192 247 E C 1.936 178.454 176.600 -0.136 0.000 0.983 247 E CA 1.002 57.342 56.400 -0.101 0.000 0.818 247 E CB -1.326 28.370 29.700 -0.006 0.000 0.758 247 E HN 0.148 nan 8.360 nan 0.000 0.467 248 L N 1.238 122.346 121.223 -0.192 0.000 2.056 248 L HA -0.024 4.316 4.340 0.001 0.000 0.207 248 L C 2.498 179.208 176.870 -0.267 0.000 1.078 248 L CA 1.411 56.122 54.840 -0.215 0.000 0.749 248 L CB -0.553 41.363 42.059 -0.239 0.000 0.901 248 L HN 0.090 nan 8.230 nan 0.000 0.433 249 I N -1.257 119.092 120.570 -0.369 0.000 2.226 249 I HA -0.323 3.847 4.170 0.001 0.000 0.245 249 I C 2.322 178.222 176.117 -0.362 0.000 1.100 249 I CA 1.146 62.052 61.300 -0.657 0.000 1.374 249 I CB -0.275 37.245 38.000 -0.800 0.000 1.057 249 I HN 0.262 nan 8.210 nan 0.000 0.413 250 L N 0.339 121.455 121.223 -0.177 0.000 2.056 250 L HA -0.194 4.147 4.340 0.001 0.000 0.207 250 L C 2.593 179.524 176.870 0.101 0.000 1.078 250 L CA 1.626 56.484 54.840 0.029 0.000 0.749 250 L CB -0.644 41.419 42.059 0.006 0.000 0.901 250 L HN 0.167 nan 8.230 nan 0.000 0.433 251 E N -0.254 119.950 120.200 0.006 0.000 2.118 251 E HA -0.219 4.131 4.350 0.001 0.000 0.195 251 E C 2.314 178.947 176.600 0.055 0.000 0.992 251 E CA 1.321 57.738 56.400 0.028 0.000 0.804 251 E CB -0.325 29.357 29.700 -0.029 0.000 0.741 251 E HN 0.487 nan 8.360 nan 0.000 0.458 252 L N 0.251 121.489 121.223 0.025 0.000 2.095 252 L HA -0.104 4.237 4.340 0.001 0.000 0.204 252 L C 2.577 179.579 176.870 0.220 0.000 1.080 252 L CA 0.394 55.289 54.840 0.092 0.000 0.759 252 L CB -0.405 41.711 42.059 0.095 0.000 0.914 252 L HN -0.050 nan 8.230 nan 0.000 0.439 253 V N 0.046 120.132 119.914 0.287 0.000 2.324 253 V HA -0.345 3.776 4.120 0.001 0.000 0.250 253 V C 2.094 178.250 176.094 0.103 0.000 1.060 253 V CA 2.182 64.626 62.300 0.241 0.000 1.042 253 V CB -0.516 31.432 31.823 0.209 0.000 0.650 253 V HN 0.460 nan 8.190 nan 0.000 0.450 254 D N -0.533 119.995 120.400 0.213 0.000 2.351 254 D HA -0.110 4.531 4.640 0.001 0.000 0.216 254 D C 2.104 178.466 176.300 0.104 0.000 0.968 254 D CA 0.892 55.023 54.000 0.219 0.000 0.899 254 D CB -0.051 40.977 40.800 0.380 0.000 0.907 254 D HN 0.374 nan 8.370 nan 0.000 0.514 255 R N -1.834 118.719 120.500 0.088 0.000 2.472 255 R HA 0.334 4.675 4.340 0.001 0.000 0.279 255 R C 0.973 177.304 176.300 0.052 0.000 0.953 255 R CA 0.485 56.620 56.100 0.059 0.000 1.088 255 R CB 1.074 31.409 30.300 0.058 0.000 1.197 255 R HN 0.076 nan 8.270 nan 0.000 0.536 256 G N 0.597 109.432 108.800 0.058 0.000 2.138 256 G HA2 -0.203 3.757 3.960 0.001 0.000 0.193 256 G HA3 -0.203 3.757 3.960 0.001 0.000 0.193 256 G C -0.081 174.857 174.900 0.065 0.000 0.998 256 G CA -0.364 44.766 45.100 0.050 0.000 0.668 256 G HN 0.076 nan 8.290 nan 0.000 0.516 257 V N 0.971 120.943 119.914 0.096 0.000 2.567 257 V HA 0.444 4.565 4.120 0.001 0.000 0.289 257 V C 0.797 176.900 176.094 0.015 0.000 1.049 257 V CA 0.091 62.416 62.300 0.041 0.000 0.969 257 V CB 1.659 33.512 31.823 0.049 0.000 0.995 257 V HN 0.230 nan 8.190 nan 0.000 0.471 258 D N 2.530 122.864 120.400 -0.111 0.000 2.394 258 D HA 0.216 4.857 4.640 0.001 0.000 0.226 258 D C 0.281 176.484 176.300 -0.162 0.000 0.990 258 D CA 0.899 54.878 54.000 -0.036 0.000 0.902 258 D CB 0.618 41.408 40.800 -0.016 0.000 1.038 258 D HN 0.431 nan 8.370 nan 0.000 0.499 259 M N -0.013 119.332 119.600 -0.424 0.000 2.530 259 M HA 0.486 4.967 4.480 0.001 0.000 0.307 259 M C -1.395 174.533 176.300 -0.619 0.000 1.161 259 M CA -0.617 54.469 55.300 -0.356 0.000 0.903 259 M CB 2.876 35.338 32.600 -0.229 0.000 1.711 259 M HN -0.302 nan 8.290 nan 0.000 0.451 260 F N -0.070 120.000 119.950 0.200 0.000 2.631 260 F HA 0.570 5.098 4.527 0.001 0.000 0.308 260 F C -0.999 174.801 175.800 -0.000 0.000 1.097 260 F CA -1.015 57.144 58.000 0.265 0.000 0.952 260 F CB 1.955 41.139 39.000 0.306 0.000 1.307 260 F HN 0.663 nan 8.300 nan 0.000 0.450 261 D N -0.496 120.064 120.400 0.266 0.000 2.661 261 D HA 0.692 5.333 4.640 0.001 0.000 0.228 261 D C -1.391 175.010 176.300 0.167 0.000 1.210 261 D CA -0.569 53.372 54.000 -0.098 0.000 0.826 261 D CB 2.384 43.184 40.800 0.001 0.000 1.542 261 D HN 0.548 nan 8.370 nan 0.000 0.447 262 S N 0.143 115.955 115.700 0.187 0.000 2.543 262 S HA 0.299 4.769 4.470 0.001 0.000 0.274 262 S C 0.289 175.091 174.600 0.337 0.000 1.149 262 S CA -0.361 58.047 58.200 0.346 0.000 0.866 262 S CB 1.410 64.903 63.200 0.488 0.000 1.111 262 S HN 1.008 nan 8.310 nan 0.000 0.457 263 V N 2.637 122.701 119.914 0.251 0.000 3.380 263 V HA 0.200 4.321 4.120 0.001 0.000 0.268 263 V C 1.688 177.930 176.094 0.246 0.000 1.168 263 V CA 1.407 63.835 62.300 0.214 0.000 1.156 263 V CB -1.353 30.564 31.823 0.156 0.000 0.785 263 V HN 0.816 nan 8.190 nan 0.000 0.487 264 F N 3.685 123.722 119.950 0.145 0.000 2.063 264 F HA -0.069 4.459 4.527 0.001 0.000 0.298 264 F C 0.117 175.960 175.800 0.072 0.000 1.109 264 F CA 2.602 60.657 58.000 0.092 0.000 1.212 264 F CB -1.481 37.559 39.000 0.067 0.000 0.973 264 F HN 0.274 nan 8.300 nan 0.000 0.480 265 P HA -0.102 nan 4.420 nan 0.000 0.219 265 P C 1.460 178.694 177.300 -0.110 0.000 1.150 265 P CA 2.473 65.450 63.100 -0.205 0.000 0.814 265 P CB -0.505 31.145 31.700 -0.083 0.000 0.787 266 T N -2.075 112.479 114.554 -0.000 0.000 2.809 266 T HA -0.025 4.325 4.350 0.001 0.000 0.260 266 T C 2.161 176.870 174.700 0.015 0.000 1.039 266 T CA 0.488 62.600 62.100 0.020 0.000 1.141 266 T CB -0.705 68.192 68.868 0.049 0.000 0.869 266 T HN 0.011 nan 8.240 nan 0.000 0.437 267 R N 1.441 121.961 120.500 0.034 0.000 2.073 267 R HA -0.020 4.321 4.340 0.001 0.000 0.234 267 R C 2.657 179.024 176.300 0.113 0.000 1.134 267 R CA 1.796 57.949 56.100 0.088 0.000 0.952 267 R CB -0.577 29.799 30.300 0.126 0.000 0.850 267 R HN 0.721 nan 8.270 nan 0.000 0.433 268 I N -2.123 118.401 120.570 -0.076 0.000 2.546 268 I HA 0.042 4.213 4.170 0.001 0.000 0.255 268 I C 2.246 178.337 176.117 -0.043 0.000 1.163 268 I CA 1.298 62.538 61.300 -0.099 0.000 1.457 268 I CB -0.449 37.316 38.000 -0.391 0.000 1.092 268 I HN 0.048 nan 8.210 nan 0.000 0.434 269 A N 2.293 125.084 122.820 -0.050 0.000 1.917 269 A HA -0.201 4.120 4.320 0.001 0.000 0.219 269 A C 2.494 180.130 177.584 0.086 0.000 1.182 269 A CA 1.905 53.952 52.037 0.018 0.000 0.633 269 A CB -0.720 18.302 19.000 0.038 0.000 0.819 269 A HN 0.518 nan 8.150 nan 0.000 0.448 270 R N -1.659 118.875 120.500 0.058 0.000 2.189 270 R HA -0.080 4.261 4.340 0.001 0.000 0.223 270 R C 1.471 177.733 176.300 -0.064 0.000 1.092 270 R CA 1.350 57.462 56.100 0.020 0.000 0.989 270 R CB -0.357 29.897 30.300 -0.077 0.000 0.876 270 R HN 0.725 nan 8.270 nan 0.000 0.457 271 H N -0.957 118.120 119.070 0.011 0.000 2.547 271 H HA 0.137 4.694 4.556 0.001 0.000 0.266 271 H C 1.039 176.228 175.328 -0.232 0.000 0.988 271 H CA 0.758 56.774 56.048 -0.054 0.000 1.147 271 H CB 0.677 30.400 29.762 -0.065 0.000 1.365 271 H HN 0.452 nan 8.280 nan 0.000 0.589 272 G N 0.354 108.967 108.800 -0.311 0.000 2.134 272 G HA2 -0.248 3.713 3.960 0.001 0.000 0.209 272 G HA3 -0.248 3.713 3.960 0.001 0.000 0.209 272 G C 0.114 174.721 174.900 -0.488 0.000 0.993 272 G CA 0.173 44.720 45.100 -0.922 0.000 0.669 272 G HN 0.339 nan 8.290 nan 0.000 0.519 273 T N 0.906 115.319 114.554 -0.233 0.000 2.779 273 T HA 0.727 5.078 4.350 0.001 0.000 0.280 273 T C 0.382 175.015 174.700 -0.111 0.000 0.987 273 T CA 0.469 62.476 62.100 -0.155 0.000 0.966 273 T CB 1.743 70.541 68.868 -0.117 0.000 0.933 273 T HN 1.292 nan 8.240 nan 0.000 0.442 274 A N 3.734 126.503 122.820 -0.083 0.000 2.310 274 A HA 0.712 5.033 4.320 0.001 0.000 0.299 274 A C -0.178 177.365 177.584 -0.068 0.000 1.147 274 A CA -0.651 51.370 52.037 -0.028 0.000 0.818 274 A CB 0.229 19.188 19.000 -0.069 0.000 1.096 274 A HN 0.873 nan 8.150 nan 0.000 0.495 275 L N 3.008 124.169 121.223 -0.103 0.000 2.261 275 L HA 0.419 4.760 4.340 0.001 0.000 0.289 275 L C 0.822 177.255 176.870 -0.729 0.000 1.059 275 L CA -0.242 54.370 54.840 -0.380 0.000 0.816 275 L CB 0.920 42.690 42.059 -0.482 0.000 1.191 275 L HN 0.941 nan 8.230 nan 0.000 0.431 276 T N -2.308 111.901 114.554 -0.576 0.000 2.910 276 T HA 0.296 4.646 4.350 0.001 0.000 0.287 276 T C 0.453 174.955 174.700 -0.330 0.000 1.050 276 T CA -0.641 61.227 62.100 -0.386 0.000 1.011 276 T CB 1.027 69.858 68.868 -0.061 0.000 1.195 276 T HN 0.503 nan 8.240 nan 0.000 0.540 277 W N 0.431 121.821 121.300 0.151 0.000 2.611 277 W HA 0.170 4.830 4.660 0.001 0.000 0.251 277 W C 1.616 178.209 176.519 0.123 0.000 1.265 277 W CA -0.210 57.309 57.345 0.290 0.000 1.295 277 W CB -0.048 29.578 29.460 0.278 0.000 1.129 277 W HN 0.587 nan 8.180 nan 0.000 0.630 278 N N -0.227 118.578 118.700 0.176 0.000 2.230 278 N HA 0.233 4.974 4.740 0.001 0.000 0.202 278 N C 0.742 176.144 175.510 -0.180 0.000 1.119 278 N CA 1.128 54.193 53.050 0.024 0.000 0.851 278 N CB 0.560 39.053 38.487 0.011 0.000 0.990 278 N HN 0.109 nan 8.380 nan 0.000 0.497 279 G N 0.836 109.401 108.800 -0.392 0.000 2.549 279 G HA2 -0.189 3.771 3.960 0.001 0.000 0.404 279 G HA3 -0.189 3.771 3.960 0.001 0.000 0.404 279 G C -1.032 173.570 174.900 -0.496 0.000 1.292 279 G CA -0.935 43.644 45.100 -0.868 0.000 0.935 279 G HN 0.142 nan 8.290 nan 0.000 0.512 280 K N -0.594 119.566 120.400 -0.399 0.000 2.382 280 K HA 0.431 4.752 4.320 0.001 0.000 0.275 280 K C -0.267 176.278 176.600 -0.093 0.000 1.009 280 K CA -0.172 56.035 56.287 -0.134 0.000 0.970 280 K CB 1.115 33.593 32.500 -0.037 0.000 0.934 280 K HN 0.547 nan 8.250 nan 0.000 0.479 281 L N 3.248 124.439 121.223 -0.052 0.000 2.343 281 L HA 0.266 4.606 4.340 0.001 0.000 0.278 281 L C -1.001 175.869 176.870 -0.000 0.000 0.996 281 L CA -0.500 54.351 54.840 0.017 0.000 0.831 281 L CB 1.321 43.381 42.059 0.001 0.000 1.232 281 L HN 0.465 nan 8.230 nan 0.000 0.413 282 N N 5.161 123.888 118.700 0.045 0.000 2.439 282 N HA 0.128 4.868 4.740 0.001 0.000 0.243 282 N C 0.670 176.064 175.510 -0.194 0.000 1.088 282 N CA -0.322 52.670 53.050 -0.096 0.000 0.940 282 N CB 0.558 38.990 38.487 -0.091 0.000 1.180 282 N HN 0.657 nan 8.380 nan 0.000 0.505 283 L N 2.862 123.958 121.223 -0.212 0.000 2.265 283 L HA -0.067 4.273 4.340 0.001 0.000 0.215 283 L C 1.542 178.343 176.870 -0.115 0.000 1.117 283 L CA 1.220 55.959 54.840 -0.168 0.000 0.782 283 L CB -0.466 41.480 42.059 -0.188 0.000 0.914 283 L HN 0.591 nan 8.230 nan 0.000 0.441 284 K N -0.175 120.080 120.400 -0.243 0.000 2.432 284 K HA 0.078 4.399 4.320 0.001 0.000 0.196 284 K C 1.021 177.579 176.600 -0.070 0.000 1.038 284 K CA 0.138 56.334 56.287 -0.153 0.000 0.986 284 K CB 0.092 32.461 32.500 -0.218 0.000 0.782 284 K HN 0.203 nan 8.250 nan 0.000 0.485 285 A N 1.273 123.915 122.820 -0.296 0.000 2.386 285 A HA 0.069 4.390 4.320 0.001 0.000 0.248 285 A C 1.243 178.554 177.584 -0.455 0.000 1.082 285 A CA -0.041 51.695 52.037 -0.502 0.000 0.789 285 A CB 0.406 18.702 19.000 -1.173 0.000 1.025 285 A HN 0.280 nan 8.150 nan 0.000 0.490 286 S N 0.509 116.035 115.700 -0.291 0.000 2.481 286 S HA -0.160 4.311 4.470 0.001 0.000 0.231 286 S C 1.353 175.819 174.600 -0.224 0.000 0.996 286 S CA 1.220 59.283 58.200 -0.227 0.000 0.942 286 S CB -0.768 62.390 63.200 -0.071 0.000 0.768 286 S HN 1.045 nan 8.310 nan 0.000 0.520 287 Y N 2.067 122.301 120.300 -0.110 0.000 2.651 287 Y HA 0.222 4.773 4.550 0.001 0.000 0.296 287 Y C 1.241 177.068 175.900 -0.121 0.000 1.150 287 Y CA 0.034 58.076 58.100 -0.097 0.000 1.348 287 Y CB -1.238 37.185 38.460 -0.062 0.000 0.983 287 Y HN 0.233 nan 8.280 nan 0.000 0.555 288 N N 0.789 119.394 118.700 -0.159 0.000 2.205 288 N HA -0.017 4.723 4.740 0.001 0.000 0.201 288 N C 1.423 176.774 175.510 -0.266 0.000 1.128 288 N CA 0.234 53.201 53.050 -0.138 0.000 0.867 288 N CB 0.125 38.542 38.487 -0.117 0.000 0.996 288 N HN 0.494 nan 8.380 nan 0.000 0.503 289 K N 1.639 121.760 120.400 -0.466 0.000 2.147 289 K HA 0.009 4.329 4.320 0.001 0.000 0.205 289 K C 1.084 177.622 176.600 -0.103 0.000 1.049 289 K CA 1.069 57.086 56.287 -0.450 0.000 0.936 289 K CB 0.242 32.537 32.500 -0.341 0.000 0.722 289 K HN 0.019 nan 8.250 nan 0.000 0.446 290 R N 0.078 120.538 120.500 -0.066 0.000 2.577 290 R HA 0.138 4.479 4.340 0.001 0.000 0.344 290 R C -0.333 175.972 176.300 0.008 0.000 1.037 290 R CA -0.206 55.889 56.100 -0.009 0.000 1.102 290 R CB 1.176 31.472 30.300 -0.007 0.000 1.313 290 R HN -0.060 nan 8.270 nan 0.000 0.561 291 S N 0.887 116.593 115.700 0.011 0.000 2.505 291 S HA 0.185 4.656 4.470 0.001 0.000 0.276 291 S C 0.894 175.521 174.600 0.045 0.000 1.274 291 S CA -0.410 57.808 58.200 0.030 0.000 1.053 291 S CB 0.471 63.695 63.200 0.041 0.000 0.919 291 S HN 0.315 nan 8.310 nan 0.000 0.490 292 L N 3.723 124.967 121.223 0.035 0.000 2.653 292 L HA 0.310 4.651 4.340 0.001 0.000 0.231 292 L C 0.686 177.578 176.870 0.035 0.000 1.153 292 L CA -0.025 54.836 54.840 0.036 0.000 0.933 292 L CB -0.048 42.023 42.059 0.020 0.000 1.175 292 L HN 0.529 nan 8.230 nan 0.000 0.473 293 E N 1.441 121.664 120.200 0.039 0.000 2.283 293 E HA 0.332 4.682 4.350 0.001 0.000 0.267 293 E C -2.146 174.482 176.600 0.047 0.000 1.045 293 E CA -2.036 54.384 56.400 0.035 0.000 0.884 293 E CB 0.827 30.544 29.700 0.029 0.000 1.106 293 E HN -0.100 nan 8.360 nan 0.000 0.408 294 P HA 0.057 nan 4.420 nan 0.000 0.275 294 P C 1.059 178.373 177.300 0.024 0.000 1.266 294 P CA -0.274 62.854 63.100 0.047 0.000 0.793 294 P CB 0.798 32.523 31.700 0.042 0.000 1.074 295 V N -0.811 119.094 119.914 -0.015 0.000 2.287 295 V HA -0.147 3.973 4.120 0.001 0.000 0.248 295 V C 1.105 177.135 176.094 -0.106 0.000 1.053 295 V CA 2.247 64.474 62.300 -0.122 0.000 1.027 295 V CB -0.903 30.718 31.823 -0.336 0.000 0.646 295 V HN 0.664 nan 8.190 nan 0.000 0.447 296 D N -1.864 118.516 120.400 -0.034 0.000 2.855 296 D HA 0.189 4.830 4.640 0.001 0.000 0.241 296 D C 0.775 177.160 176.300 0.141 0.000 1.277 296 D CA -0.095 53.966 54.000 0.102 0.000 0.918 296 D CB 2.187 43.140 40.800 0.255 0.000 1.462 296 D HN -0.026 nan 8.370 nan 0.000 0.559 297 E N 2.215 122.485 120.200 0.116 0.000 2.219 297 E HA -0.147 4.203 4.350 0.001 0.000 0.198 297 E C 1.345 178.014 176.600 0.114 0.000 0.998 297 E CA 1.154 57.611 56.400 0.094 0.000 0.818 297 E CB -0.077 29.663 29.700 0.068 0.000 0.741 297 E HN 0.468 nan 8.360 nan 0.000 0.477 298 R N -1.229 119.377 120.500 0.177 0.000 2.466 298 R HA 0.303 4.643 4.340 0.001 0.000 0.279 298 R C 0.049 176.505 176.300 0.259 0.000 0.976 298 R CA -0.192 56.007 56.100 0.165 0.000 1.081 298 R CB 0.184 30.546 30.300 0.103 0.000 1.215 298 R HN 0.183 nan 8.270 nan 0.000 0.546 299 C N -0.596 118.875 119.300 0.285 0.000 2.382 299 C HA 0.581 5.042 4.460 0.001 0.000 0.327 299 C C 1.572 176.694 174.990 0.220 0.000 1.250 299 C CA -0.500 58.712 59.018 0.322 0.000 1.707 299 C CB 0.994 28.997 27.740 0.439 0.000 2.272 299 C HN 0.612 nan 8.230 nan 0.000 0.506 300 G N 3.180 112.099 108.800 0.199 0.000 3.284 300 G HA2 0.220 4.181 3.960 0.001 0.000 0.236 300 G HA3 0.220 4.181 3.960 0.001 0.000 0.236 300 G C 0.670 175.670 174.900 0.167 0.000 1.158 300 G CA 0.566 45.758 45.100 0.152 0.000 0.774 300 G HN 1.137 nan 8.290 nan 0.000 0.545 301 C N -1.788 117.640 119.300 0.213 0.000 2.705 301 C HA 0.400 4.861 4.460 0.001 0.000 0.382 301 C C 1.749 176.885 174.990 0.242 0.000 1.322 301 C CA -0.950 58.213 59.018 0.240 0.000 2.290 301 C CB 0.117 28.023 27.740 0.277 0.000 2.650 301 C HN 0.457 nan 8.230 nan 0.000 0.695 302 Y N 1.815 122.214 120.300 0.166 0.000 2.151 302 Y HA -0.131 4.419 4.550 0.001 0.000 0.284 302 Y C 2.563 178.606 175.900 0.238 0.000 1.166 302 Y CA 2.869 61.069 58.100 0.167 0.000 1.163 302 Y CB -0.854 37.712 38.460 0.177 0.000 0.974 302 Y HN 0.864 nan 8.280 nan 0.000 0.511 303 T N -0.695 114.042 114.554 0.305 0.000 2.708 303 T HA -0.233 4.117 4.350 0.001 0.000 0.266 303 T C 1.997 176.838 174.700 0.235 0.000 1.037 303 T CA 1.751 64.068 62.100 0.362 0.000 1.146 303 T CB -0.947 68.129 68.868 0.348 0.000 0.865 303 T HN 0.500 nan 8.240 nan 0.000 0.435 304 C N 1.260 120.663 119.300 0.172 0.000 2.446 304 C HA 0.085 4.545 4.460 0.001 0.000 0.279 304 C C 2.617 177.620 174.990 0.021 0.000 1.366 304 C CA 0.086 59.167 59.018 0.106 0.000 1.763 304 C CB -0.791 27.041 27.740 0.153 0.000 1.929 304 C HN 0.566 nan 8.230 nan 0.000 0.509 305 K N 0.860 121.238 120.400 -0.037 0.000 2.155 305 K HA -0.030 4.291 4.320 0.001 0.000 0.203 305 K C 1.422 177.862 176.600 -0.266 0.000 1.052 305 K CA 0.950 57.167 56.287 -0.117 0.000 0.948 305 K CB -0.040 32.402 32.500 -0.097 0.000 0.728 305 K HN 0.520 nan 8.250 nan 0.000 0.448 306 N N -0.774 117.633 118.700 -0.488 0.000 2.273 306 N HA 0.107 4.848 4.740 0.001 0.000 0.192 306 N C -0.492 174.447 175.510 -0.951 0.000 1.132 306 N CA 0.390 52.907 53.050 -0.888 0.000 0.887 306 N CB 0.769 38.329 38.487 -1.545 0.000 1.048 306 N HN -0.060 nan 8.380 nan 0.000 0.490 307 F N 0.485 120.382 119.950 -0.088 0.000 2.588 307 F HA 0.333 4.861 4.527 0.001 0.000 0.314 307 F C 0.620 176.444 175.800 0.041 0.000 1.069 307 F CA -1.181 56.819 58.000 0.000 0.000 0.931 307 F CB 1.262 40.340 39.000 0.129 0.000 1.260 307 F HN -0.288 nan 8.300 nan 0.000 0.465 308 T N -1.995 112.726 114.554 0.278 0.000 2.928 308 T HA 0.415 4.765 4.350 0.001 0.000 0.284 308 T C 1.052 175.886 174.700 0.224 0.000 1.008 308 T CA -0.752 61.464 62.100 0.193 0.000 1.057 308 T CB 1.523 70.478 68.868 0.145 0.000 1.018 308 T HN 0.658 nan 8.240 nan 0.000 0.493 309 R N 0.699 121.287 120.500 0.147 0.000 2.117 309 R HA -0.131 4.209 4.340 0.001 0.000 0.243 309 R C 2.773 179.170 176.300 0.160 0.000 1.143 309 R CA 1.671 57.849 56.100 0.129 0.000 0.968 309 R CB -0.717 29.634 30.300 0.085 0.000 0.863 309 R HN 0.771 nan 8.270 nan 0.000 0.444 310 S N -0.176 115.617 115.700 0.155 0.000 2.359 310 S HA -0.230 4.240 4.470 0.001 0.000 0.224 310 S C 1.802 176.570 174.600 0.280 0.000 1.035 310 S CA 1.357 59.662 58.200 0.175 0.000 1.018 310 S CB -0.314 62.962 63.200 0.126 0.000 0.876 310 S HN 0.480 nan 8.310 nan 0.000 0.448 311 Y N 1.728 122.126 120.300 0.163 0.000 2.200 311 Y HA 0.048 4.599 4.550 0.001 0.000 0.290 311 Y C 1.886 177.901 175.900 0.192 0.000 1.137 311 Y CA 1.524 59.735 58.100 0.185 0.000 1.163 311 Y CB -0.458 38.112 38.460 0.182 0.000 0.988 311 Y HN 0.313 nan 8.280 nan 0.000 0.518 312 I N -0.630 119.993 120.570 0.089 0.000 2.252 312 I HA -0.312 3.859 4.170 0.001 0.000 0.245 312 I C 2.407 178.609 176.117 0.142 0.000 1.102 312 I CA 1.754 63.059 61.300 0.008 0.000 1.385 312 I CB -0.681 37.392 38.000 0.121 0.000 1.064 312 I HN 0.269 nan 8.210 nan 0.000 0.414 313 H N 0.633 119.756 119.070 0.088 0.000 2.289 313 H HA -0.331 4.225 4.556 0.001 0.000 0.296 313 H C 2.358 177.722 175.328 0.060 0.000 1.091 313 H CA 2.589 58.679 56.048 0.070 0.000 1.274 313 H CB -0.312 29.468 29.762 0.030 0.000 1.364 313 H HN 0.430 nan 8.280 nan 0.000 0.490 314 H N -0.260 118.815 119.070 0.008 0.000 2.352 314 H HA -0.114 4.443 4.556 0.001 0.000 0.299 314 H C 2.244 177.451 175.328 -0.202 0.000 1.097 314 H CA 2.177 58.174 56.048 -0.085 0.000 1.311 314 H CB -0.440 29.319 29.762 -0.005 0.000 1.377 314 H HN 0.420 nan 8.280 nan 0.000 0.504 315 L N -1.052 119.846 121.223 -0.541 0.000 2.046 315 L HA -0.133 4.208 4.340 0.001 0.000 0.208 315 L C 2.174 178.712 176.870 -0.553 0.000 1.077 315 L CA 1.166 55.612 54.840 -0.655 0.000 0.747 315 L CB -0.487 41.171 42.059 -0.669 0.000 0.896 315 L HN 0.257 nan 8.230 nan 0.000 0.432 316 F N 0.407 120.143 119.950 -0.357 0.000 2.186 316 F HA -0.235 4.293 4.527 0.001 0.000 0.299 316 F C 2.324 177.935 175.800 -0.315 0.000 1.090 316 F CA 1.725 59.547 58.000 -0.296 0.000 1.307 316 F CB -0.475 38.375 39.000 -0.250 0.000 1.019 316 F HN 0.170 nan 8.300 nan 0.000 0.489 317 D N -0.021 120.242 120.400 -0.229 0.000 2.133 317 D HA -0.183 4.457 4.640 0.001 0.000 0.195 317 D C 1.946 178.121 176.300 -0.208 0.000 0.997 317 D CA 1.207 55.061 54.000 -0.244 0.000 0.840 317 D CB 0.125 40.759 40.800 -0.277 0.000 0.947 317 D HN -0.142 nan 8.370 nan 0.000 0.452 318 R N -0.708 119.609 120.500 -0.304 0.000 2.317 318 R HA 0.311 4.652 4.340 0.001 0.000 0.208 318 R C 1.434 177.603 176.300 -0.219 0.000 0.914 318 R CA 0.593 56.537 56.100 -0.261 0.000 1.060 318 R CB -0.419 29.660 30.300 -0.369 0.000 1.015 318 R HN 0.264 nan 8.270 nan 0.000 0.498 319 G N 1.423 110.087 108.800 -0.226 0.000 2.176 319 G HA2 -0.258 3.703 3.960 0.001 0.000 0.252 319 G HA3 -0.258 3.703 3.960 0.001 0.000 0.252 319 G C -0.297 174.452 174.900 -0.252 0.000 1.024 319 G CA -0.060 44.918 45.100 -0.204 0.000 0.755 319 G HN 0.242 nan 8.290 nan 0.000 0.507 320 E N -0.072 119.923 120.200 -0.342 0.000 2.290 320 E HA 0.305 4.655 4.350 0.001 0.000 0.277 320 E C 1.619 177.981 176.600 -0.396 0.000 1.035 320 E CA -0.253 55.950 56.400 -0.329 0.000 0.873 320 E CB 1.620 31.111 29.700 -0.348 0.000 1.029 320 E HN 0.090 nan 8.360 nan 0.000 0.419 321 V N 4.102 123.847 119.914 -0.282 0.000 2.594 321 V HA -0.246 3.874 4.120 0.001 0.000 0.253 321 V C 2.190 178.117 176.094 -0.279 0.000 1.069 321 V CA 0.992 63.133 62.300 -0.264 0.000 1.082 321 V CB -0.488 31.236 31.823 -0.164 0.000 0.680 321 V HN 0.542 nan 8.190 nan 0.000 0.469 322 L N 1.622 122.689 121.223 -0.260 0.000 2.129 322 L HA -0.112 4.229 4.340 0.001 0.000 0.212 322 L C 2.309 178.978 176.870 -0.335 0.000 1.087 322 L CA 2.365 57.063 54.840 -0.237 0.000 0.757 322 L CB -1.192 40.751 42.059 -0.192 0.000 0.896 322 L HN 0.280 nan 8.230 nan 0.000 0.434 323 G N -1.500 106.969 108.800 -0.552 0.000 2.418 323 G HA2 -0.282 3.678 3.960 0.001 0.000 0.217 323 G HA3 -0.282 3.678 3.960 0.001 0.000 0.217 323 G C 1.417 176.046 174.900 -0.452 0.000 1.158 323 G CA 0.800 45.471 45.100 -0.714 0.000 0.771 323 G HN 0.566 nan 8.290 nan 0.000 0.545 324 Q N -0.135 119.384 119.800 -0.469 0.000 2.084 324 Q HA -0.021 4.320 4.340 0.001 0.000 0.202 324 Q C 2.613 178.598 176.000 -0.024 0.000 0.978 324 Q CA 1.089 56.849 55.803 -0.072 0.000 0.844 324 Q CB -0.241 28.435 28.738 -0.103 0.000 0.898 324 Q HN 0.537 nan 8.270 nan 0.000 0.426 325 I N 0.732 121.254 120.570 -0.080 0.000 2.163 325 I HA -0.312 3.859 4.170 0.001 0.000 0.243 325 I C 2.217 178.351 176.117 0.028 0.000 1.085 325 I CA 1.216 62.500 61.300 -0.027 0.000 1.347 325 I CB -0.330 37.644 38.000 -0.044 0.000 1.044 325 I HN 0.197 nan 8.210 nan 0.000 0.408 326 L N 0.086 121.312 121.223 0.005 0.000 2.083 326 L HA -0.209 4.131 4.340 0.001 0.000 0.209 326 L C 2.502 179.460 176.870 0.146 0.000 1.083 326 L CA 1.266 56.148 54.840 0.070 0.000 0.752 326 L CB -0.496 41.527 42.059 -0.060 0.000 0.899 326 L HN 0.299 nan 8.230 nan 0.000 0.433 327 L N -0.992 120.318 121.223 0.145 0.000 2.156 327 L HA -0.132 4.208 4.340 0.001 0.000 0.208 327 L C 2.583 179.545 176.870 0.154 0.000 1.095 327 L CA 1.134 56.082 54.840 0.180 0.000 0.770 327 L CB -0.847 41.323 42.059 0.185 0.000 0.914 327 L HN 0.283 nan 8.230 nan 0.000 0.439 328 T N 0.426 115.044 114.554 0.107 0.000 2.708 328 T HA -0.138 4.213 4.350 0.001 0.000 0.266 328 T C 1.954 176.708 174.700 0.089 0.000 1.037 328 T CA 1.255 63.400 62.100 0.074 0.000 1.146 328 T CB -0.190 68.705 68.868 0.044 0.000 0.865 328 T HN 0.169 nan 8.240 nan 0.000 0.435 329 I N 0.650 121.291 120.570 0.118 0.000 2.163 329 I HA -0.260 3.910 4.170 0.001 0.000 0.243 329 I C 2.534 178.749 176.117 0.162 0.000 1.085 329 I CA 1.805 63.191 61.300 0.144 0.000 1.347 329 I CB -0.409 37.709 38.000 0.196 0.000 1.044 329 I HN 0.325 nan 8.210 nan 0.000 0.408 330 H N 1.255 120.405 119.070 0.132 0.000 2.321 330 H HA -0.136 4.420 4.556 0.001 0.000 0.300 330 H C 2.016 177.418 175.328 0.123 0.000 1.087 330 H CA 2.013 58.142 56.048 0.136 0.000 1.319 330 H CB -0.071 29.762 29.762 0.119 0.000 1.379 330 H HN 0.189 nan 8.280 nan 0.000 0.501 331 N N 0.108 118.782 118.700 -0.042 0.000 2.188 331 N HA -0.102 4.639 4.740 0.001 0.000 0.184 331 N C 1.765 177.241 175.510 -0.058 0.000 1.018 331 N CA 1.116 54.115 53.050 -0.084 0.000 0.858 331 N CB -0.099 38.374 38.487 -0.024 0.000 0.989 331 N HN 0.359 nan 8.380 nan 0.000 0.426 332 I N 1.291 121.856 120.570 -0.009 0.000 2.286 332 I HA -0.136 4.034 4.170 0.001 0.000 0.245 332 I C 1.814 177.936 176.117 0.009 0.000 1.104 332 I CA 0.772 62.088 61.300 0.028 0.000 1.397 332 I CB -1.099 36.940 38.000 0.066 0.000 1.072 332 I HN 0.202 nan 8.210 nan 0.000 0.417 333 N N 0.737 119.438 118.700 0.001 0.000 2.061 333 N HA -0.269 4.471 4.740 0.001 0.000 0.193 333 N C 1.990 177.469 175.510 -0.051 0.000 1.030 333 N CA 1.619 54.673 53.050 0.007 0.000 0.856 333 N CB -0.487 38.031 38.487 0.051 0.000 1.023 333 N HN 0.256 nan 8.380 nan 0.000 0.424 334 F N 1.881 121.653 119.950 -0.296 0.000 2.126 334 F HA -0.154 4.374 4.527 0.001 0.000 0.299 334 F C 2.391 178.006 175.800 -0.308 0.000 1.096 334 F CA 1.284 59.074 58.000 -0.351 0.000 1.255 334 F CB -0.150 38.539 39.000 -0.519 0.000 0.997 334 F HN -0.051 nan 8.300 nan 0.000 0.479 335 M N 0.017 119.423 119.600 -0.322 0.000 2.117 335 M HA -0.174 4.306 4.480 0.001 0.000 0.262 335 M C 2.232 178.368 176.300 -0.272 0.000 1.065 335 M CA 1.228 56.263 55.300 -0.443 0.000 1.114 335 M CB -1.216 31.062 32.600 -0.537 0.000 1.361 335 M HN 0.172 nan 8.290 nan 0.000 0.408 336 I N -0.328 120.188 120.570 -0.091 0.000 2.252 336 I HA -0.196 3.974 4.170 0.001 0.000 0.245 336 I C 2.723 178.819 176.117 -0.034 0.000 1.102 336 I CA 1.445 62.753 61.300 0.013 0.000 1.385 336 I CB -1.780 36.267 38.000 0.078 0.000 1.064 336 I HN 0.315 nan 8.210 nan 0.000 0.414 337 S N 1.132 116.779 115.700 -0.089 0.000 2.382 337 S HA -0.179 4.291 4.470 0.001 0.000 0.228 337 S C 2.118 176.712 174.600 -0.011 0.000 1.027 337 S CA 1.081 59.278 58.200 -0.005 0.000 0.991 337 S CB -0.455 62.795 63.200 0.083 0.000 0.823 337 S HN 0.333 nan 8.310 nan 0.000 0.469 338 L N 1.425 122.422 121.223 -0.376 0.000 2.012 338 L HA -0.037 4.304 4.340 0.001 0.000 0.210 338 L C 2.312 179.143 176.870 -0.065 0.000 1.073 338 L CA 2.092 56.706 54.840 -0.376 0.000 0.748 338 L CB -0.699 40.834 42.059 -0.875 0.000 0.891 338 L HN 0.296 nan 8.230 nan 0.000 0.431 339 M N -0.789 118.773 119.600 -0.064 0.000 2.175 339 M HA -0.148 4.333 4.480 0.001 0.000 0.264 339 M C 2.470 178.826 176.300 0.094 0.000 1.063 339 M CA 1.493 56.826 55.300 0.054 0.000 1.119 339 M CB -1.382 31.285 32.600 0.111 0.000 1.377 339 M HN 0.265 nan 8.290 nan 0.000 0.415 340 K N 0.139 120.589 120.400 0.083 0.000 2.057 340 K HA -0.120 4.201 4.320 0.001 0.000 0.207 340 K C 1.917 178.576 176.600 0.099 0.000 1.049 340 K CA 1.158 57.500 56.287 0.091 0.000 0.931 340 K CB -0.239 32.311 32.500 0.084 0.000 0.714 340 K HN 0.366 nan 8.250 nan 0.000 0.440 341 E N 0.343 120.621 120.200 0.130 0.000 2.085 341 E HA -0.108 4.242 4.350 0.001 0.000 0.194 341 E C 2.100 178.788 176.600 0.148 0.000 0.994 341 E CA 1.504 57.986 56.400 0.138 0.000 0.801 341 E CB -0.577 29.265 29.700 0.238 0.000 0.743 341 E HN 0.312 nan 8.360 nan 0.000 0.453 342 V N 1.365 121.385 119.914 0.175 0.000 2.255 342 V HA -0.281 3.840 4.120 0.001 0.000 0.247 342 V C 2.460 178.656 176.094 0.170 0.000 1.051 342 V CA 1.974 64.410 62.300 0.226 0.000 1.018 342 V CB -0.441 31.514 31.823 0.220 0.000 0.641 342 V HN 0.224 nan 8.190 nan 0.000 0.445 343 R N -0.370 120.203 120.500 0.121 0.000 2.091 343 R HA -0.209 4.132 4.340 0.001 0.000 0.238 343 R C 2.523 178.858 176.300 0.057 0.000 1.136 343 R CA 1.891 58.041 56.100 0.083 0.000 0.959 343 R CB -0.465 29.885 30.300 0.082 0.000 0.856 343 R HN 0.465 nan 8.270 nan 0.000 0.437 344 R N 0.979 121.514 120.500 0.058 0.000 2.081 344 R HA -0.122 4.218 4.340 0.001 0.000 0.235 344 R C 2.350 178.657 176.300 0.012 0.000 1.131 344 R CA 2.005 58.122 56.100 0.028 0.000 0.960 344 R CB -0.166 30.148 30.300 0.024 0.000 0.856 344 R HN 0.262 nan 8.270 nan 0.000 0.436 345 S N 0.025 115.756 115.700 0.051 0.000 2.423 345 S HA -0.089 4.381 4.470 0.001 0.000 0.231 345 S C 1.996 176.587 174.600 -0.014 0.000 1.014 345 S CA 0.998 59.227 58.200 0.047 0.000 0.965 345 S CB -0.325 62.968 63.200 0.157 0.000 0.785 345 S HN 0.387 nan 8.310 nan 0.000 0.495 346 I N 1.630 122.211 120.570 0.019 0.000 2.286 346 I HA -0.078 4.093 4.170 0.001 0.000 0.245 346 I C 2.930 178.984 176.117 -0.104 0.000 1.104 346 I CA 1.504 62.775 61.300 -0.049 0.000 1.397 346 I CB -0.350 37.635 38.000 -0.025 0.000 1.072 346 I HN 0.380 nan 8.210 nan 0.000 0.417 347 E N 0.609 120.773 120.200 -0.059 0.000 2.118 347 E HA -0.198 4.152 4.350 0.001 0.000 0.195 347 E C 2.006 178.547 176.600 -0.098 0.000 0.992 347 E CA 1.385 57.751 56.400 -0.057 0.000 0.804 347 E CB 0.151 29.834 29.700 -0.027 0.000 0.741 347 E HN 0.349 nan 8.360 nan 0.000 0.458 348 S N -1.272 114.350 115.700 -0.131 0.000 2.524 348 S HA 0.135 4.606 4.470 0.001 0.000 0.216 348 S C 1.085 175.526 174.600 -0.266 0.000 0.987 348 S CA 0.529 58.641 58.200 -0.148 0.000 0.909 348 S CB 0.926 64.062 63.200 -0.107 0.000 0.781 348 S HN 0.536 nan 8.310 nan 0.000 0.521 349 G N 2.209 110.689 108.800 -0.533 0.000 2.176 349 G HA2 -0.287 3.674 3.960 0.001 0.000 0.252 349 G HA3 -0.287 3.674 3.960 0.001 0.000 0.252 349 G C 0.534 174.970 174.900 -0.774 0.000 1.024 349 G CA 0.764 45.176 45.100 -1.147 0.000 0.755 349 G HN 0.672 nan 8.290 nan 0.000 0.507 350 T N -3.010 111.306 114.554 -0.396 0.000 3.176 350 T HA 0.392 4.742 4.350 0.001 0.000 0.263 350 T C 1.534 176.247 174.700 0.022 0.000 1.021 350 T CA 0.557 62.586 62.100 -0.117 0.000 0.905 350 T CB -0.006 68.820 68.868 -0.069 0.000 1.057 350 T HN 0.596 nan 8.240 nan 0.000 0.558 351 F N 2.859 122.764 119.950 -0.074 0.000 2.216 351 F HA 0.066 4.594 4.527 0.001 0.000 0.300 351 F C 1.944 177.869 175.800 0.208 0.000 1.085 351 F CA 1.051 59.134 58.000 0.138 0.000 1.326 351 F CB -0.080 39.100 39.000 0.300 0.000 1.027 351 F HN -0.014 nan 8.300 nan 0.000 0.497 352 K N 0.681 121.183 120.400 0.171 0.000 2.148 352 K HA -0.110 4.210 4.320 0.001 0.000 0.204 352 K C 2.341 178.888 176.600 -0.087 0.000 1.050 352 K CA 1.373 57.638 56.287 -0.037 0.000 0.942 352 K CB -0.873 31.706 32.500 0.132 0.000 0.724 352 K HN 0.531 nan 8.250 nan 0.000 0.446 353 E N 1.570 121.758 120.200 -0.019 0.000 2.047 353 E HA -0.139 4.211 4.350 0.001 0.000 0.191 353 E C 1.951 178.517 176.600 -0.056 0.000 0.987 353 E CA 1.315 57.700 56.400 -0.026 0.000 0.799 353 E CB -0.747 28.949 29.700 -0.005 0.000 0.752 353 E HN 0.160 nan 8.360 nan 0.000 0.449 354 L N 0.763 121.937 121.223 -0.081 0.000 2.017 354 L HA -0.076 4.264 4.340 0.001 0.000 0.208 354 L C 2.526 179.334 176.870 -0.102 0.000 1.073 354 L CA 2.913 57.719 54.840 -0.057 0.000 0.745 354 L CB -0.347 41.703 42.059 -0.014 0.000 0.894 354 L HN 0.399 nan 8.230 nan 0.000 0.432 355 K N -1.154 119.057 120.400 -0.315 0.000 2.057 355 K HA -0.199 4.122 4.320 0.001 0.000 0.207 355 K C 2.328 178.852 176.600 -0.125 0.000 1.049 355 K CA 1.569 57.671 56.287 -0.308 0.000 0.931 355 K CB -0.333 31.806 32.500 -0.602 0.000 0.714 355 K HN 0.457 nan 8.250 nan 0.000 0.440 356 S N 0.416 116.054 115.700 -0.104 0.000 2.370 356 S HA -0.185 4.285 4.470 0.001 0.000 0.226 356 S C 2.141 176.744 174.600 0.005 0.000 1.033 356 S CA 2.049 60.226 58.200 -0.039 0.000 1.011 356 S CB -0.305 62.877 63.200 -0.030 0.000 0.852 356 S HN 0.366 nan 8.310 nan 0.000 0.457 357 K N 0.280 120.694 120.400 0.023 0.000 2.057 357 K HA 0.048 4.368 4.320 0.001 0.000 0.206 357 K C 2.121 178.805 176.600 0.140 0.000 1.050 357 K CA 1.386 57.718 56.287 0.074 0.000 0.935 357 K CB -1.194 31.357 32.500 0.084 0.000 0.715 357 K HN 0.437 nan 8.250 nan 0.000 0.439 358 V N 0.646 120.656 119.914 0.161 0.000 2.270 358 V HA -0.170 3.950 4.120 0.001 0.000 0.245 358 V C 2.493 178.709 176.094 0.203 0.000 1.043 358 V CA 2.045 64.487 62.300 0.236 0.000 1.014 358 V CB -0.413 31.508 31.823 0.162 0.000 0.645 358 V HN 0.357 nan 8.190 nan 0.000 0.447 359 V N -0.012 119.960 119.914 0.096 0.000 2.469 359 V HA -0.303 3.818 4.120 0.001 0.000 0.251 359 V C 2.412 178.547 176.094 0.068 0.000 1.064 359 V CA 2.278 64.620 62.300 0.070 0.000 1.066 359 V CB -0.602 31.231 31.823 0.016 0.000 0.667 359 V HN 0.670 nan 8.190 nan 0.000 0.461 360 E N 0.345 120.579 120.200 0.057 0.000 2.051 360 E HA -0.188 4.162 4.350 0.001 0.000 0.192 360 E C 2.070 178.676 176.600 0.010 0.000 0.991 360 E CA 1.937 58.355 56.400 0.029 0.000 0.799 360 E CB 0.014 29.729 29.700 0.025 0.000 0.748 360 E HN 0.588 nan 8.360 nan 0.000 0.449 361 V N -1.888 118.037 119.914 0.018 0.000 3.406 361 V HA 0.014 4.135 4.120 0.001 0.000 0.263 361 V C 0.875 176.791 176.094 -0.297 0.000 1.172 361 V CA 0.686 62.916 62.300 -0.117 0.000 1.140 361 V CB -0.495 31.257 31.823 -0.117 0.000 0.784 361 V HN 0.207 nan 8.190 nan 0.000 0.467 362 Y N 1.808 122.112 120.300 0.006 0.000 2.708 362 Y HA 0.509 5.060 4.550 0.001 0.000 0.287 362 Y C 1.568 177.457 175.900 -0.019 0.000 1.145 362 Y CA -0.419 57.677 58.100 -0.007 0.000 1.249 362 Y CB -0.471 37.984 38.460 -0.008 0.000 1.152 362 Y HN 0.264 nan 8.280 nan 0.000 0.532 363 S N 0.000 115.728 115.700 0.047 0.000 2.498 363 S HA 0.000 4.471 4.470 0.001 0.000 0.327 363 S CA 0.000 58.213 58.200 0.021 0.000 1.107 363 S CB 0.000 63.194 63.200 -0.010 0.000 0.593 363 S HN 0.000 nan 8.310 nan 0.000 0.517