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 1kpo_1_2 DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEAALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNADQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLPK 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.584 177.584 -0.000 0.000 1.274 2 A CA 0.000 52.037 52.037 -0.001 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 3 A N 1.311 124.129 122.820 -0.003 0.000 2.540 3 A HA 0.399 4.719 4.320 -0.000 0.000 0.268 3 A C 0.444 178.025 177.584 -0.006 0.000 1.061 3 A CA 0.641 52.676 52.037 -0.003 0.000 0.821 3 A CB -0.724 18.272 19.000 -0.008 0.000 0.970 3 A HN 0.545 nan 8.150 nan 0.000 0.524 4 K N 1.840 122.241 120.400 0.002 0.000 2.098 4 K HA 0.387 4.707 4.320 -0.000 0.000 0.244 4 K C -0.510 176.091 176.600 0.002 0.000 1.014 4 K CA -0.606 55.684 56.287 0.006 0.000 0.917 4 K CB 0.818 33.332 32.500 0.023 0.000 1.072 4 K HN 0.729 nan 8.250 nan 0.000 0.477 5 D N 0.196 120.602 120.400 0.010 0.000 2.350 5 D HA 0.417 5.057 4.640 -0.000 0.000 0.245 5 D C -1.476 174.880 176.300 0.094 0.000 1.036 5 D CA -0.703 53.308 54.000 0.019 0.000 0.848 5 D CB 1.476 42.247 40.800 -0.047 0.000 1.307 5 D HN 0.046 nan 8.370 nan 0.000 0.469 6 V N 3.766 123.690 119.914 0.016 0.000 2.623 6 V HA 0.445 4.565 4.120 -0.000 0.000 0.304 6 V C -0.275 175.588 176.094 -0.384 0.000 1.054 6 V CA -0.752 61.469 62.300 -0.132 0.000 0.882 6 V CB 2.031 33.733 31.823 -0.203 0.000 1.002 6 V HN 0.459 nan 8.190 nan 0.000 0.424 7 K N 3.515 123.619 120.400 -0.492 0.000 2.375 7 K HA 0.815 5.135 4.320 -0.000 0.000 0.249 7 K C -1.726 174.520 176.600 -0.591 0.000 0.942 7 K CA -0.501 55.445 56.287 -0.567 0.000 0.806 7 K CB 2.350 34.635 32.500 -0.359 0.000 1.227 7 K HN 0.442 nan 8.250 nan 0.000 0.430 8 F N -0.166 119.736 119.950 -0.080 0.000 2.620 8 F HA 0.588 5.115 4.527 -0.000 0.000 0.320 8 F C 0.896 176.660 175.800 -0.060 0.000 1.069 8 F CA -0.467 57.490 58.000 -0.071 0.000 0.953 8 F CB 1.307 40.283 39.000 -0.040 0.000 1.322 8 F HN 0.772 nan 8.300 nan 0.000 0.479 9 G N 1.415 110.312 108.800 0.162 0.000 2.601 9 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.261 9 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.261 9 G C 0.826 175.742 174.900 0.027 0.000 1.289 9 G CA 0.402 45.545 45.100 0.072 0.000 0.920 9 G HN 0.819 nan 8.290 nan 0.000 0.571 10 N N 0.307 119.019 118.700 0.020 0.000 2.100 10 N HA -0.273 4.467 4.740 -0.000 0.000 0.199 10 N C 1.740 177.245 175.510 -0.007 0.000 1.017 10 N CA 2.281 55.335 53.050 0.006 0.000 0.890 10 N CB -0.395 38.098 38.487 0.011 0.000 1.080 10 N HN 0.698 nan 8.380 nan 0.000 0.525 11 D N 0.746 121.143 120.400 -0.004 0.000 2.355 11 D HA -0.274 4.366 4.640 -0.000 0.000 0.192 11 D C 1.827 178.080 176.300 -0.078 0.000 1.014 11 D CA 1.928 55.916 54.000 -0.020 0.000 0.862 11 D CB -0.804 39.986 40.800 -0.016 0.000 0.986 11 D HN 0.436 nan 8.370 nan 0.000 0.456 12 A N -0.028 122.713 122.820 -0.131 0.000 2.042 12 A HA -0.274 4.046 4.320 -0.000 0.000 0.222 12 A C 2.130 179.616 177.584 -0.164 0.000 1.167 12 A CA 2.040 53.933 52.037 -0.241 0.000 0.649 12 A CB -0.409 18.490 19.000 -0.168 0.000 0.809 12 A HN 0.193 nan 8.150 nan 0.000 0.457 13 R N -1.083 119.370 120.500 -0.078 0.000 2.062 13 R HA 0.010 4.350 4.340 -0.000 0.000 0.218 13 R C 2.235 178.518 176.300 -0.028 0.000 1.161 13 R CA 1.123 57.195 56.100 -0.047 0.000 0.994 13 R CB -0.725 29.560 30.300 -0.024 0.000 0.888 13 R HN 0.515 nan 8.270 nan 0.000 0.442 14 V N 0.808 120.713 119.914 -0.015 0.000 2.439 14 V HA -0.288 3.832 4.120 -0.000 0.000 0.253 14 V C 1.870 177.970 176.094 0.010 0.000 1.074 14 V CA 1.684 63.984 62.300 0.001 0.000 1.076 14 V CB -0.517 31.311 31.823 0.008 0.000 0.664 14 V HN 0.144 nan 8.190 nan 0.000 0.461 15 K N -0.094 120.312 120.400 0.009 0.000 2.002 15 K HA -0.005 4.315 4.320 -0.000 0.000 0.209 15 K C 2.268 178.890 176.600 0.036 0.000 1.048 15 K CA 2.103 58.419 56.287 0.049 0.000 0.930 15 K CB -0.554 32.002 32.500 0.093 0.000 0.714 15 K HN 0.542 nan 8.250 nan 0.000 0.438 16 M N 0.505 120.105 119.600 -0.001 0.000 2.080 16 M HA -0.213 4.267 4.480 -0.000 0.000 0.260 16 M C 2.219 178.524 176.300 0.009 0.000 1.068 16 M CA 1.248 56.550 55.300 0.002 0.000 1.109 16 M CB -0.430 32.158 32.600 -0.020 0.000 1.342 16 M HN 0.069 nan 8.290 nan 0.000 0.405 17 L N 0.769 121.994 121.223 0.004 0.000 1.932 17 L HA -0.223 4.117 4.340 -0.000 0.000 0.217 17 L C 2.426 179.303 176.870 0.010 0.000 1.077 17 L CA 2.109 56.953 54.840 0.006 0.000 0.765 17 L CB -1.041 41.021 42.059 0.004 0.000 0.888 17 L HN 0.160 nan 8.230 nan 0.000 0.433 18 R N 0.336 120.844 120.500 0.014 0.000 2.174 18 R HA -0.144 4.196 4.340 -0.000 0.000 0.253 18 R C 2.098 178.408 176.300 0.018 0.000 1.165 18 R CA 1.843 57.953 56.100 0.016 0.000 0.984 18 R CB -1.564 28.748 30.300 0.020 0.000 0.873 18 R HN 0.636 nan 8.270 nan 0.000 0.456 19 G N -0.576 108.238 108.800 0.024 0.000 2.402 19 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 19 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 19 G C 1.434 176.344 174.900 0.016 0.000 1.162 19 G CA 1.057 46.173 45.100 0.026 0.000 0.777 19 G HN 0.371 nan 8.290 nan 0.000 0.539 20 V N -0.963 118.958 119.914 0.013 0.000 2.488 20 V HA -0.022 4.098 4.120 -0.000 0.000 0.246 20 V C 2.210 178.307 176.094 0.006 0.000 1.046 20 V CA 1.710 64.015 62.300 0.008 0.000 1.053 20 V CB -0.679 31.148 31.823 0.007 0.000 0.679 20 V HN 0.140 nan 8.190 nan 0.000 0.458 21 N N 1.013 119.717 118.700 0.006 0.000 2.247 21 N HA -0.137 4.603 4.740 -0.000 0.000 0.189 21 N C 1.630 177.142 175.510 0.003 0.000 1.009 21 N CA 1.702 54.754 53.050 0.004 0.000 0.872 21 N CB -0.459 38.030 38.487 0.005 0.000 0.980 21 N HN 0.534 nan 8.380 nan 0.000 0.436 22 V N 0.658 120.574 119.914 0.004 0.000 2.256 22 V HA -0.126 3.994 4.120 -0.000 0.000 0.240 22 V C 2.317 178.411 176.094 -0.000 0.000 1.036 22 V CA 0.813 63.114 62.300 0.002 0.000 1.008 22 V CB -0.640 31.184 31.823 0.002 0.000 0.648 22 V HN 0.173 nan 8.190 nan 0.000 0.453 23 L N 0.815 122.038 121.223 0.001 0.000 2.064 23 L HA -0.223 4.117 4.340 -0.000 0.000 0.216 23 L C 2.244 179.113 176.870 -0.002 0.000 1.077 23 L CA 2.561 57.400 54.840 -0.001 0.000 0.766 23 L CB -1.010 41.049 42.059 -0.001 0.000 0.890 23 L HN 0.285 nan 8.230 nan 0.000 0.435 24 A N -0.792 122.028 122.820 -0.000 0.000 1.819 24 A HA -0.186 4.134 4.320 -0.000 0.000 0.215 24 A C 1.955 179.538 177.584 -0.002 0.000 1.226 24 A CA 1.464 53.501 52.037 -0.001 0.000 0.608 24 A CB -1.190 17.811 19.000 0.001 0.000 0.877 24 A HN 0.495 nan 8.150 nan 0.000 0.452 25 D N 0.204 120.603 120.400 -0.002 0.000 2.276 25 D HA -0.164 4.476 4.640 -0.000 0.000 0.200 25 D C 1.549 177.847 176.300 -0.004 0.000 1.004 25 D CA 1.607 55.605 54.000 -0.003 0.000 0.898 25 D CB -0.279 40.519 40.800 -0.003 0.000 0.906 25 D HN 0.442 nan 8.370 nan 0.000 0.457 26 A N -0.453 122.364 122.820 -0.004 0.000 2.379 26 A HA 0.293 4.613 4.320 -0.000 0.000 0.236 26 A C 1.640 179.221 177.584 -0.005 0.000 1.272 26 A CA -0.065 51.969 52.037 -0.005 0.000 0.886 26 A CB 0.578 19.576 19.000 -0.005 0.000 0.962 26 A HN 0.127 nan 8.150 nan 0.000 0.504 27 V N -0.796 119.115 119.914 -0.005 0.000 3.245 27 V HA -0.027 4.093 4.120 -0.000 0.000 0.246 27 V C 1.626 177.717 176.094 -0.005 0.000 1.487 27 V CA 0.876 63.173 62.300 -0.005 0.000 1.154 27 V CB 0.043 31.863 31.823 -0.005 0.000 0.971 27 V HN 0.666 nan 8.190 nan 0.000 0.443 28 K N 2.268 122.665 120.400 -0.005 0.000 2.665 28 K HA 0.006 4.326 4.320 -0.000 0.000 0.196 28 K C 1.186 177.781 176.600 -0.007 0.000 1.021 28 K CA 1.410 57.693 56.287 -0.006 0.000 1.066 28 K CB -0.157 32.339 32.500 -0.006 0.000 0.849 28 K HN 0.521 nan 8.250 nan 0.000 0.500 29 V N -2.816 117.094 119.914 -0.007 0.000 2.908 29 V HA -0.034 4.086 4.120 -0.000 0.000 0.240 29 V C 2.090 178.181 176.094 -0.006 0.000 1.117 29 V CA 0.759 63.055 62.300 -0.007 0.000 1.133 29 V CB -0.260 31.560 31.823 -0.006 0.000 0.857 29 V HN 0.434 nan 8.190 nan 0.000 0.478 30 T N -0.510 114.041 114.554 -0.005 0.000 3.400 30 T HA 0.131 4.481 4.350 -0.000 0.000 0.254 30 T C 0.419 175.117 174.700 -0.004 0.000 1.153 30 T CA 0.107 62.205 62.100 -0.005 0.000 1.012 30 T CB -0.965 67.900 68.868 -0.005 0.000 0.994 30 T HN 0.272 nan 8.240 nan 0.000 0.555 31 L N 2.242 123.462 121.223 -0.005 0.000 2.361 31 L HA 0.587 4.927 4.340 -0.000 0.000 0.278 31 L C 0.975 177.842 176.870 -0.004 0.000 1.113 31 L CA 1.461 56.298 54.840 -0.005 0.000 0.849 31 L CB -0.331 41.723 42.059 -0.007 0.000 1.155 31 L HN 0.650 nan 8.230 nan 0.000 0.452 32 G N 5.082 113.881 108.800 -0.001 0.000 2.527 32 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.227 32 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.227 32 G C -2.012 172.889 174.900 0.003 0.000 1.291 32 G CA -0.073 45.029 45.100 0.002 0.000 0.904 32 G HN 0.585 nan 8.290 nan 0.000 0.577 33 P HA 0.218 nan 4.420 nan 0.000 0.226 33 P C 0.891 178.193 177.300 0.004 0.000 1.160 33 P CA 0.823 63.925 63.100 0.004 0.000 0.837 33 P CB 0.232 31.935 31.700 0.005 0.000 0.860 34 K N 1.099 121.503 120.400 0.007 0.000 2.596 34 K HA 0.281 4.601 4.320 -0.000 0.000 0.211 34 K C 0.977 177.578 176.600 0.001 0.000 1.046 34 K CA -0.153 56.137 56.287 0.006 0.000 1.202 34 K CB -0.365 32.142 32.500 0.011 0.000 0.925 34 K HN 0.106 nan 8.250 nan 0.000 0.486 35 G N 1.360 110.160 108.800 0.000 0.000 2.483 35 G HA2 0.159 4.119 3.960 -0.000 0.000 0.248 35 G HA3 0.159 4.119 3.960 -0.000 0.000 0.248 35 G C 0.196 175.094 174.900 -0.002 0.000 1.248 35 G CA -0.458 44.641 45.100 -0.002 0.000 0.838 35 G HN 0.071 nan 8.290 nan 0.000 0.566 36 R N 0.861 121.359 120.500 -0.003 0.000 2.541 36 R HA 0.282 4.622 4.340 -0.000 0.000 0.254 36 R C -0.258 176.041 176.300 -0.003 0.000 1.130 36 R CA -0.911 55.187 56.100 -0.003 0.000 1.152 36 R CB 0.079 30.377 30.300 -0.003 0.000 1.222 36 R HN 0.575 nan 8.270 nan 0.000 0.579 37 N N -1.038 117.660 118.700 -0.003 0.000 2.473 37 N HA 0.377 5.117 4.740 -0.000 0.000 0.291 37 N C -1.098 174.411 175.510 -0.003 0.000 1.083 37 N CA -0.504 52.545 53.050 -0.003 0.000 0.951 37 N CB 1.675 40.161 38.487 -0.002 0.000 1.164 37 N HN 0.093 nan 8.380 nan 0.000 0.480 38 V N 1.887 121.799 119.914 -0.004 0.000 2.487 38 V HA 0.379 4.499 4.120 -0.000 0.000 0.298 38 V C -0.532 175.559 176.094 -0.005 0.000 1.028 38 V CA -0.825 61.472 62.300 -0.005 0.000 0.860 38 V CB 1.755 33.575 31.823 -0.005 0.000 0.991 38 V HN 0.374 nan 8.190 nan 0.000 0.427 39 V N 6.287 126.198 119.914 -0.005 0.000 2.383 39 V HA 0.437 4.557 4.120 -0.000 0.000 0.275 39 V C -0.082 176.008 176.094 -0.007 0.000 1.036 39 V CA -0.471 61.826 62.300 -0.005 0.000 0.889 39 V CB 1.246 33.066 31.823 -0.004 0.000 0.985 39 V HN 0.633 nan 8.190 nan 0.000 0.459 40 L N 3.577 124.796 121.223 -0.007 0.000 2.321 40 L HA 0.400 4.740 4.340 -0.000 0.000 0.272 40 L C 0.189 177.051 176.870 -0.013 0.000 1.050 40 L CA -0.489 54.344 54.840 -0.011 0.000 0.893 40 L CB 0.743 42.795 42.059 -0.011 0.000 1.272 40 L HN 0.623 nan 8.230 nan 0.000 0.435 41 D N 3.087 123.478 120.400 -0.016 0.000 2.629 41 D HA -0.046 4.593 4.640 -0.000 0.000 0.228 41 D C -0.015 176.268 176.300 -0.029 0.000 1.127 41 D CA 1.145 55.133 54.000 -0.020 0.000 0.855 41 D CB 0.879 41.665 40.800 -0.023 0.000 1.180 41 D HN 0.338 nan 8.370 nan 0.000 0.484 42 K N 0.944 121.327 120.400 -0.028 0.000 2.295 42 K HA 0.362 4.682 4.320 -0.000 0.000 0.239 42 K C 1.017 177.575 176.600 -0.071 0.000 0.991 42 K CA -0.595 55.668 56.287 -0.040 0.000 0.845 42 K CB 1.259 33.752 32.500 -0.011 0.000 1.197 42 K HN 0.548 nan 8.250 nan 0.000 0.441 43 S N 0.828 116.444 115.700 -0.139 0.000 2.309 43 S HA 0.048 4.518 4.470 -0.000 0.000 0.206 43 S C 0.472 174.956 174.600 -0.193 0.000 1.028 43 S CA 0.485 58.514 58.200 -0.285 0.000 0.972 43 S CB -0.342 62.520 63.200 -0.563 0.000 0.961 43 S HN 0.365 nan 8.310 nan 0.000 0.449 44 F N 3.124 123.072 119.950 -0.002 0.000 2.404 44 F HA 0.706 5.233 4.527 -0.000 0.000 0.358 44 F C 1.239 177.038 175.800 -0.001 0.000 1.120 44 F CA 0.021 58.020 58.000 -0.002 0.000 1.144 44 F CB 0.586 39.584 39.000 -0.002 0.000 1.133 44 F HN 0.812 nan 8.300 nan 0.000 0.495 45 G N 1.332 110.245 108.800 0.188 0.000 2.352 45 G HA2 0.377 4.337 3.960 -0.000 0.000 0.324 45 G HA3 0.377 4.337 3.960 -0.000 0.000 0.324 45 G C -1.463 173.475 174.900 0.063 0.000 1.249 45 G CA -0.584 44.577 45.100 0.102 0.000 1.053 45 G HN 0.914 nan 8.290 nan 0.000 0.492 46 A N 0.494 123.340 122.820 0.043 0.000 2.303 46 A HA 0.874 5.194 4.320 -0.000 0.000 0.317 46 A C -1.640 175.956 177.584 0.019 0.000 1.149 46 A CA -0.765 51.288 52.037 0.027 0.000 0.822 46 A CB 0.192 19.205 19.000 0.022 0.000 1.131 46 A HN 0.678 nan 8.150 nan 0.000 0.493 47 P HA 0.150 nan 4.420 nan 0.000 0.270 47 P C -0.283 177.020 177.300 0.005 0.000 1.221 47 P CA 0.374 63.476 63.100 0.005 0.000 0.788 47 P CB 0.335 32.037 31.700 0.002 0.000 0.904 48 T N 1.834 116.389 114.554 0.001 0.000 2.779 48 T HA 0.544 4.894 4.350 -0.000 0.000 0.280 48 T C 0.075 174.775 174.700 -0.000 0.000 0.987 48 T CA -0.339 61.762 62.100 0.002 0.000 0.966 48 T CB 0.207 69.075 68.868 0.001 0.000 0.933 48 T HN 0.155 nan 8.240 nan 0.000 0.442 49 I N 2.712 123.283 120.570 0.001 0.000 2.339 49 I HA 0.591 4.761 4.170 -0.000 0.000 0.290 49 I C 0.426 176.543 176.117 -0.000 0.000 0.994 49 I CA -0.486 60.814 61.300 -0.000 0.000 1.191 49 I CB 1.722 39.722 38.000 0.001 0.000 1.343 49 I HN 0.516 nan 8.210 nan 0.000 0.458 50 T N 4.166 118.719 114.554 -0.002 0.000 2.762 50 T HA 0.418 4.768 4.350 -0.000 0.000 0.301 50 T C -0.346 174.352 174.700 -0.003 0.000 1.299 50 T CA -0.565 61.534 62.100 -0.002 0.000 1.005 50 T CB 1.798 70.664 68.868 -0.003 0.000 1.377 50 T HN 0.688 nan 8.240 nan 0.000 0.504 51 K N 0.731 121.129 120.400 -0.003 0.000 2.564 51 K HA 0.209 4.529 4.320 -0.000 0.000 0.201 51 K C -0.894 175.703 176.600 -0.005 0.000 1.086 51 K CA -0.267 56.018 56.287 -0.004 0.000 1.062 51 K CB 0.641 33.139 32.500 -0.003 0.000 0.849 51 K HN 0.369 nan 8.250 nan 0.000 0.529 52 D N 0.935 121.332 120.400 -0.006 0.000 2.483 52 D HA 0.084 4.724 4.640 -0.000 0.000 0.220 52 D C 1.328 177.623 176.300 -0.008 0.000 1.173 52 D CA -0.059 53.937 54.000 -0.008 0.000 0.964 52 D CB 0.668 41.463 40.800 -0.008 0.000 1.046 52 D HN 0.281 nan 8.370 nan 0.000 0.517 53 G N 2.113 110.908 108.800 -0.008 0.000 2.581 53 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.223 53 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.223 53 G C 1.455 176.350 174.900 -0.010 0.000 1.094 53 G CA 0.941 46.036 45.100 -0.008 0.000 0.736 53 G HN 0.473 nan 8.290 nan 0.000 0.588 54 V N 0.546 120.453 119.914 -0.012 0.000 2.283 54 V HA -0.136 3.984 4.120 -0.000 0.000 0.243 54 V C 2.997 179.083 176.094 -0.013 0.000 1.039 54 V CA 2.153 64.445 62.300 -0.014 0.000 1.016 54 V CB -0.623 31.189 31.823 -0.018 0.000 0.650 54 V HN 0.370 nan 8.190 nan 0.000 0.449 55 S N -0.116 115.577 115.700 -0.012 0.000 2.399 55 S HA -0.148 4.322 4.470 -0.000 0.000 0.231 55 S C 1.966 176.560 174.600 -0.010 0.000 1.022 55 S CA 1.306 59.500 58.200 -0.010 0.000 0.983 55 S CB -0.155 63.040 63.200 -0.008 0.000 0.803 55 S HN 0.356 nan 8.310 nan 0.000 0.480 56 V N 1.584 121.492 119.914 -0.010 0.000 2.515 56 V HA -0.141 3.979 4.120 -0.000 0.000 0.250 56 V C 2.448 178.535 176.094 -0.010 0.000 1.058 56 V CA 1.465 63.759 62.300 -0.009 0.000 1.064 56 V CB -1.033 30.785 31.823 -0.008 0.000 0.675 56 V HN 0.522 nan 8.190 nan 0.000 0.461 57 A N -0.180 122.633 122.820 -0.011 0.000 1.832 57 A HA -0.194 4.126 4.320 -0.000 0.000 0.214 57 A C 2.334 179.910 177.584 -0.013 0.000 1.200 57 A CA 1.611 53.641 52.037 -0.012 0.000 0.610 57 A CB -0.651 18.341 19.000 -0.013 0.000 0.842 57 A HN 0.381 nan 8.150 nan 0.000 0.444 58 R N -0.256 120.235 120.500 -0.014 0.000 2.208 58 R HA -0.189 4.151 4.340 -0.000 0.000 0.262 58 R C 1.004 177.295 176.300 -0.015 0.000 1.166 58 R CA 1.712 57.803 56.100 -0.015 0.000 0.987 58 R CB -0.329 29.962 30.300 -0.015 0.000 0.887 58 R HN 0.515 nan 8.270 nan 0.000 0.459 59 E N 0.073 120.265 120.200 -0.015 0.000 2.416 59 E HA 0.056 4.406 4.350 -0.000 0.000 0.189 59 E C 0.158 176.749 176.600 -0.015 0.000 1.091 59 E CA 0.191 56.582 56.400 -0.016 0.000 0.889 59 E CB 0.159 29.849 29.700 -0.016 0.000 1.015 59 E HN 0.223 nan 8.360 nan 0.000 0.479 60 I N 1.056 121.618 120.570 -0.013 0.000 2.437 60 I HA 0.302 4.472 4.170 -0.000 0.000 0.298 60 I C 0.159 176.269 176.117 -0.011 0.000 0.984 60 I CA -0.330 60.964 61.300 -0.011 0.000 1.214 60 I CB 1.440 39.434 38.000 -0.009 0.000 1.365 60 I HN -0.021 nan 8.210 nan 0.000 0.469 61 E N 6.455 126.649 120.200 -0.010 0.000 3.397 61 E HA 0.251 4.601 4.350 -0.000 0.000 0.380 61 E C -1.860 174.734 176.600 -0.010 0.000 0.989 61 E CA -0.402 55.992 56.400 -0.009 0.000 0.783 61 E CB 1.052 30.745 29.700 -0.013 0.000 1.334 61 E HN 0.437 nan 8.360 nan 0.000 0.457 62 L N 2.646 123.865 121.223 -0.005 0.000 2.488 62 L HA 0.398 4.738 4.340 -0.000 0.000 0.249 62 L C 1.673 178.534 176.870 -0.015 0.000 1.151 62 L CA -0.401 54.435 54.840 -0.007 0.000 0.806 62 L CB 0.554 42.613 42.059 0.001 0.000 1.261 62 L HN 0.730 nan 8.230 nan 0.000 0.484 63 E N 0.266 120.455 120.200 -0.019 0.000 2.022 63 E HA -0.152 4.198 4.350 -0.000 0.000 0.190 63 E C 0.431 177.004 176.600 -0.045 0.000 0.973 63 E CA 0.078 56.459 56.400 -0.031 0.000 0.816 63 E CB 0.127 29.809 29.700 -0.030 0.000 0.781 63 E HN 0.689 nan 8.360 nan 0.000 0.456 64 D N 1.347 121.722 120.400 -0.042 0.000 2.433 64 D HA -0.112 4.528 4.640 -0.000 0.000 0.274 64 D C 0.657 176.913 176.300 -0.073 0.000 1.344 64 D CA 0.180 54.140 54.000 -0.066 0.000 0.989 64 D CB 0.577 41.361 40.800 -0.027 0.000 1.116 64 D HN 0.118 nan 8.370 nan 0.000 0.533 65 K N 3.440 123.748 120.400 -0.153 0.000 2.163 65 K HA -0.227 4.093 4.320 -0.000 0.000 0.210 65 K C 1.703 178.303 176.600 0.001 0.000 1.048 65 K CA 1.328 57.530 56.287 -0.142 0.000 0.928 65 K CB -0.348 31.986 32.500 -0.277 0.000 0.716 65 K HN 0.465 nan 8.250 nan 0.000 0.459 66 F N 1.407 121.344 119.950 -0.021 0.000 2.074 66 F HA -0.023 4.504 4.527 -0.000 0.000 0.290 66 F C 2.475 178.266 175.800 -0.015 0.000 1.118 66 F CA 0.596 58.584 58.000 -0.020 0.000 1.199 66 F CB -1.146 37.839 39.000 -0.025 0.000 1.012 66 F HN 0.085 nan 8.300 nan 0.000 0.472 67 E N 0.294 120.611 120.200 0.194 0.000 2.086 67 E HA -0.360 3.990 4.350 -0.000 0.000 0.205 67 E C 1.905 178.548 176.600 0.072 0.000 1.027 67 E CA 1.908 58.367 56.400 0.098 0.000 0.830 67 E CB -0.696 29.040 29.700 0.060 0.000 0.751 67 E HN 0.403 nan 8.360 nan 0.000 0.456 68 N N 0.506 119.242 118.700 0.060 0.000 2.061 68 N HA -0.199 4.541 4.740 -0.000 0.000 0.193 68 N C 1.912 177.450 175.510 0.048 0.000 1.030 68 N CA 1.624 54.697 53.050 0.039 0.000 0.856 68 N CB -0.065 38.435 38.487 0.022 0.000 1.023 68 N HN 0.094 nan 8.380 nan 0.000 0.424 69 M N -0.413 119.235 119.600 0.081 0.000 2.082 69 M HA -0.145 4.335 4.480 -0.000 0.000 0.258 69 M C 2.207 178.533 176.300 0.044 0.000 1.069 69 M CA 1.917 57.263 55.300 0.075 0.000 1.102 69 M CB -0.870 31.806 32.600 0.127 0.000 1.336 69 M HN 0.423 nan 8.290 nan 0.000 0.404 70 G N -0.178 108.647 108.800 0.043 0.000 2.524 70 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.215 70 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.215 70 G C 1.534 176.443 174.900 0.016 0.000 1.239 70 G CA 1.088 46.200 45.100 0.021 0.000 0.798 70 G HN 0.567 nan 8.290 nan 0.000 0.557 71 A N -0.635 122.195 122.820 0.018 0.000 2.093 71 A HA -0.130 4.190 4.320 -0.000 0.000 0.222 71 A C 2.279 179.866 177.584 0.006 0.000 1.162 71 A CA 2.047 54.090 52.037 0.010 0.000 0.655 71 A CB -0.269 18.737 19.000 0.011 0.000 0.805 71 A HN 0.392 nan 8.150 nan 0.000 0.461 72 Q N -1.421 118.385 119.800 0.010 0.000 2.398 72 Q HA 0.133 4.473 4.340 -0.000 0.000 0.204 72 Q C 1.917 177.916 176.000 -0.002 0.000 0.932 72 Q CA 0.646 56.451 55.803 0.003 0.000 0.916 72 Q CB -0.008 28.735 28.738 0.009 0.000 1.024 72 Q HN 0.832 nan 8.270 nan 0.000 0.504 73 M N -0.746 118.854 119.600 0.000 0.000 2.142 73 M HA -0.088 4.392 4.480 -0.000 0.000 0.256 73 M C 2.233 178.525 176.300 -0.013 0.000 1.098 73 M CA 0.985 56.282 55.300 -0.006 0.000 1.151 73 M CB -0.743 31.857 32.600 -0.000 0.000 1.299 73 M HN 0.043 nan 8.290 nan 0.000 0.431 74 V N 1.038 120.948 119.914 -0.007 0.000 2.370 74 V HA -0.327 3.793 4.120 -0.000 0.000 0.252 74 V C 2.192 178.276 176.094 -0.017 0.000 1.068 74 V CA 2.478 64.773 62.300 -0.007 0.000 1.061 74 V CB -0.695 31.128 31.823 0.001 0.000 0.656 74 V HN 0.547 nan 8.190 nan 0.000 0.455 75 K N -0.683 119.707 120.400 -0.016 0.000 2.057 75 K HA -0.211 4.109 4.320 -0.000 0.000 0.207 75 K C 2.323 178.901 176.600 -0.037 0.000 1.049 75 K CA 1.789 58.064 56.287 -0.022 0.000 0.931 75 K CB -0.278 32.213 32.500 -0.015 0.000 0.714 75 K HN 0.568 nan 8.250 nan 0.000 0.440 76 E N 0.419 120.595 120.200 -0.040 0.000 2.208 76 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 76 E C 1.862 178.403 176.600 -0.098 0.000 0.988 76 E CA 0.570 56.936 56.400 -0.057 0.000 0.828 76 E CB 0.151 29.825 29.700 -0.043 0.000 0.763 76 E HN 0.182 nan 8.360 nan 0.000 0.478 77 V N 0.528 120.380 119.914 -0.103 0.000 2.379 77 V HA -0.105 4.015 4.120 -0.000 0.000 0.243 77 V C 2.296 178.247 176.094 -0.238 0.000 1.035 77 V CA 1.635 63.823 62.300 -0.186 0.000 1.035 77 V CB -0.306 31.452 31.823 -0.109 0.000 0.673 77 V HN 0.287 nan 8.190 nan 0.000 0.457 78 A N 0.570 123.325 122.820 -0.109 0.000 1.917 78 A HA -0.274 4.046 4.320 -0.000 0.000 0.219 78 A C 2.521 180.049 177.584 -0.093 0.000 1.182 78 A CA 2.770 54.769 52.037 -0.063 0.000 0.633 78 A CB -1.187 17.801 19.000 -0.021 0.000 0.819 78 A HN 0.911 nan 8.150 nan 0.000 0.448 79 S N -0.222 115.418 115.700 -0.100 0.000 2.462 79 S HA -0.228 4.242 4.470 -0.000 0.000 0.243 79 S C 1.688 176.216 174.600 -0.121 0.000 1.003 79 S CA 1.711 59.859 58.200 -0.087 0.000 0.970 79 S CB -0.415 62.740 63.200 -0.075 0.000 0.762 79 S HN 0.661 nan 8.310 nan 0.000 0.510 80 K N 1.145 121.399 120.400 -0.244 0.000 2.116 80 K HA 0.207 4.527 4.320 -0.000 0.000 0.203 80 K C 2.602 179.139 176.600 -0.105 0.000 1.052 80 K CA 0.872 56.962 56.287 -0.328 0.000 0.952 80 K CB -0.480 31.506 32.500 -0.855 0.000 0.729 80 K HN 0.475 nan 8.250 nan 0.000 0.446 81 A N 1.944 124.764 122.820 -0.000 0.000 1.865 81 A HA -0.274 4.046 4.320 -0.000 0.000 0.217 81 A C 1.931 179.577 177.584 0.103 0.000 1.191 81 A CA 2.123 54.293 52.037 0.222 0.000 0.623 81 A CB -0.843 18.278 19.000 0.202 0.000 0.826 81 A HN 0.306 nan 8.150 nan 0.000 0.444 82 N N 0.034 118.753 118.700 0.032 0.000 2.094 82 N HA -0.167 4.573 4.740 -0.000 0.000 0.191 82 N C 1.243 176.754 175.510 0.001 0.000 1.023 82 N CA 1.752 54.802 53.050 0.000 0.000 0.857 82 N CB -0.226 38.246 38.487 -0.025 0.000 1.013 82 N HN 0.439 nan 8.380 nan 0.000 0.426 83 D N -0.545 119.860 120.400 0.007 0.000 2.178 83 D HA -0.116 4.524 4.640 -0.000 0.000 0.201 83 D C 1.564 177.896 176.300 0.053 0.000 0.980 83 D CA 1.202 55.211 54.000 0.015 0.000 0.842 83 D CB -0.176 40.621 40.800 -0.005 0.000 0.948 83 D HN 0.438 nan 8.370 nan 0.000 0.472 84 A N 0.888 123.760 122.820 0.087 0.000 1.859 84 A HA 0.314 4.634 4.320 -0.000 0.000 0.212 84 A C 2.133 179.772 177.584 0.092 0.000 1.238 84 A CA 1.358 53.456 52.037 0.101 0.000 0.613 84 A CB -0.743 18.343 19.000 0.143 0.000 0.904 84 A HN 0.201 nan 8.150 nan 0.000 0.457 85 A N -1.715 121.156 122.820 0.085 0.000 1.861 85 A HA 0.403 4.723 4.320 -0.000 0.000 0.214 85 A C 1.828 179.459 177.584 0.079 0.000 1.322 85 A CA 2.170 54.252 52.037 0.075 0.000 0.601 85 A CB -0.866 18.168 19.000 0.057 0.000 0.966 85 A HN 1.645 nan 8.150 nan 0.000 0.471 86 G N -2.283 106.529 108.800 0.019 0.000 4.362 86 G HA2 0.325 4.285 3.960 -0.000 0.000 0.220 86 G HA3 0.325 4.285 3.960 -0.000 0.000 0.220 86 G C -0.385 174.474 174.900 -0.068 0.000 0.795 86 G CA 0.750 45.806 45.100 -0.074 0.000 0.920 86 G HN 0.783 nan 8.290 nan 0.000 0.715 87 D N -2.799 117.591 120.400 -0.018 0.000 2.851 87 D HA 0.518 5.158 4.640 -0.000 0.000 0.339 87 D C 1.185 177.492 176.300 0.012 0.000 1.347 87 D CA 1.086 55.079 54.000 -0.011 0.000 0.888 87 D CB 0.294 41.090 40.800 -0.007 0.000 1.431 87 D HN 1.185 nan 8.370 nan 0.000 0.509 88 G N -1.030 107.778 108.800 0.014 0.000 2.308 88 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.221 88 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.221 88 G C 1.386 176.303 174.900 0.028 0.000 1.032 88 G CA 1.153 46.269 45.100 0.026 0.000 0.623 88 G HN 1.256 nan 8.290 nan 0.000 0.506 89 T N -0.606 113.960 114.554 0.020 0.000 2.649 89 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 89 T C 2.231 176.936 174.700 0.009 0.000 1.036 89 T CA 3.205 65.312 62.100 0.012 0.000 1.157 89 T CB -1.253 67.612 68.868 -0.005 0.000 0.861 89 T HN 0.687 nan 8.240 nan 0.000 0.445 90 T N 1.459 116.016 114.554 0.004 0.000 2.833 90 T HA -0.072 4.277 4.350 -0.000 0.000 0.269 90 T C 2.220 176.924 174.700 0.007 0.000 1.054 90 T CA 1.798 63.899 62.100 0.002 0.000 1.135 90 T CB -0.838 68.030 68.868 -0.001 0.000 0.869 90 T HN 0.657 nan 8.240 nan 0.000 0.466 91 T N 2.067 116.628 114.554 0.012 0.000 2.732 91 T HA 0.099 4.449 4.350 -0.000 0.000 0.261 91 T C 2.507 177.220 174.700 0.021 0.000 1.040 91 T CA 0.914 63.023 62.100 0.014 0.000 1.145 91 T CB -0.716 68.162 68.868 0.017 0.000 0.866 91 T HN 0.407 nan 8.240 nan 0.000 0.427 92 A N 2.027 124.868 122.820 0.034 0.000 1.869 92 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 92 A C 2.563 180.166 177.584 0.031 0.000 1.203 92 A CA 2.617 54.682 52.037 0.047 0.000 0.638 92 A CB -1.692 17.349 19.000 0.069 0.000 0.831 92 A HN 0.481 nan 8.150 nan 0.000 0.450 93 T N -0.801 113.765 114.554 0.020 0.000 2.653 93 T HA -0.197 4.153 4.350 -0.000 0.000 0.268 93 T C 1.819 176.525 174.700 0.010 0.000 1.035 93 T CA 1.849 63.956 62.100 0.011 0.000 1.154 93 T CB -0.697 68.174 68.868 0.004 0.000 0.862 93 T HN 0.423 nan 8.240 nan 0.000 0.441 94 V N 0.434 120.354 119.914 0.009 0.000 2.809 94 V HA 0.042 4.162 4.120 -0.000 0.000 0.256 94 V C 2.028 178.126 176.094 0.007 0.000 1.080 94 V CA 1.192 63.495 62.300 0.005 0.000 1.102 94 V CB -0.470 31.354 31.823 0.001 0.000 0.705 94 V HN 0.477 nan 8.190 nan 0.000 0.475 95 L N 0.036 121.267 121.223 0.012 0.000 2.049 95 L HA 0.049 4.389 4.340 -0.000 0.000 0.203 95 L C 2.876 179.754 176.870 0.015 0.000 1.074 95 L CA 1.495 56.343 54.840 0.013 0.000 0.749 95 L CB -0.914 41.157 42.059 0.020 0.000 0.907 95 L HN 0.391 nan 8.230 nan 0.000 0.439 96 A N -0.457 122.375 122.820 0.020 0.000 1.869 96 A HA -0.359 3.961 4.320 -0.000 0.000 0.218 96 A C 2.216 179.807 177.584 0.012 0.000 1.203 96 A CA 2.283 54.331 52.037 0.019 0.000 0.638 96 A CB -0.952 18.061 19.000 0.021 0.000 0.831 96 A HN 0.516 nan 8.150 nan 0.000 0.450 97 Q N -0.733 119.072 119.800 0.009 0.000 2.082 97 Q HA -0.300 4.040 4.340 -0.000 0.000 0.211 97 Q C 2.292 178.295 176.000 0.005 0.000 1.002 97 Q CA 2.447 58.254 55.803 0.006 0.000 0.868 97 Q CB -0.426 28.314 28.738 0.004 0.000 0.931 97 Q HN 0.654 nan 8.270 nan 0.000 0.414 98 A N 0.573 123.395 122.820 0.004 0.000 1.883 98 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 98 A C 2.002 179.589 177.584 0.004 0.000 1.186 98 A CA 1.732 53.771 52.037 0.003 0.000 0.624 98 A CB -0.726 18.275 19.000 0.002 0.000 0.822 98 A HN 0.485 nan 8.150 nan 0.000 0.444 99 I N -0.302 120.272 120.570 0.006 0.000 2.133 99 I HA -0.246 3.924 4.170 -0.000 0.000 0.238 99 I C 2.336 178.456 176.117 0.005 0.000 1.074 99 I CA 1.475 62.779 61.300 0.006 0.000 1.342 99 I CB -0.565 37.441 38.000 0.009 0.000 1.053 99 I HN 0.270 nan 8.210 nan 0.000 0.404 100 I N 0.871 121.444 120.570 0.006 0.000 2.194 100 I HA -0.315 3.855 4.170 -0.000 0.000 0.246 100 I C 2.591 178.710 176.117 0.003 0.000 1.093 100 I CA 1.871 63.174 61.300 0.005 0.000 1.355 100 I CB -0.961 37.042 38.000 0.005 0.000 1.046 100 I HN 0.324 nan 8.210 nan 0.000 0.413 101 T N -0.122 114.434 114.554 0.003 0.000 2.788 101 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 101 T C 1.772 176.472 174.700 0.002 0.000 1.044 101 T CA 1.210 63.311 62.100 0.002 0.000 1.139 101 T CB -0.136 68.733 68.868 0.002 0.000 0.867 101 T HN 0.308 nan 8.240 nan 0.000 0.454 102 E N 0.294 120.495 120.200 0.002 0.000 2.340 102 E HA 0.151 4.501 4.350 -0.000 0.000 0.194 102 E C 2.401 179.002 176.600 0.001 0.000 0.996 102 E CA 0.394 56.795 56.400 0.001 0.000 0.869 102 E CB -0.395 29.305 29.700 0.001 0.000 0.835 102 E HN 0.530 nan 8.360 nan 0.000 0.493 103 G N 1.713 110.514 108.800 0.002 0.000 2.464 103 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.214 103 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.214 103 G C 1.623 176.523 174.900 0.001 0.000 1.218 103 G CA 0.425 45.525 45.100 0.001 0.000 0.794 103 G HN 0.184 nan 8.290 nan 0.000 0.542 104 L N 0.310 121.534 121.223 0.000 0.000 2.261 104 L HA -0.056 4.284 4.340 -0.000 0.000 0.216 104 L C 2.714 179.584 176.870 0.000 0.000 1.114 104 L CA 1.209 56.049 54.840 -0.000 0.000 0.777 104 L CB -0.345 41.713 42.059 -0.001 0.000 0.910 104 L HN 0.244 nan 8.230 nan 0.000 0.440 105 K N 0.246 120.646 120.400 0.001 0.000 2.288 105 K HA -0.066 4.254 4.320 -0.000 0.000 0.201 105 K C 2.065 178.665 176.600 0.001 0.000 1.048 105 K CA 0.886 57.173 56.287 0.001 0.000 0.956 105 K CB 0.127 32.628 32.500 0.001 0.000 0.746 105 K HN 0.294 nan 8.250 nan 0.000 0.461 106 A N 0.167 122.988 122.820 0.000 0.000 1.862 106 A HA -0.011 4.309 4.320 -0.000 0.000 0.211 106 A C 2.081 179.665 177.584 -0.000 0.000 1.220 106 A CA 0.724 52.761 52.037 0.000 0.000 0.616 106 A CB -0.615 18.385 19.000 0.000 0.000 0.878 106 A HN 0.061 nan 8.150 nan 0.000 0.453 107 V N 0.531 120.445 119.914 -0.001 0.000 2.222 107 V HA -0.362 3.758 4.120 -0.000 0.000 0.252 107 V C 2.954 179.048 176.094 -0.001 0.000 1.060 107 V CA 2.367 64.667 62.300 -0.001 0.000 1.027 107 V CB -1.323 30.499 31.823 -0.002 0.000 0.644 107 V HN 0.605 nan 8.190 nan 0.000 0.448 108 A N -0.672 122.148 122.820 0.000 0.000 2.225 108 A HA 0.101 4.421 4.320 -0.000 0.000 0.215 108 A C 2.105 179.690 177.584 0.001 0.000 1.164 108 A CA 1.591 53.629 52.037 0.001 0.000 0.710 108 A CB -0.535 18.466 19.000 0.002 0.000 0.780 108 A HN 0.666 nan 8.150 nan 0.000 0.473 109 A N -2.205 120.615 122.820 0.001 0.000 2.238 109 A HA 0.456 4.776 4.320 -0.000 0.000 0.210 109 A C 1.590 179.174 177.584 -0.000 0.000 1.179 109 A CA 1.160 53.197 52.037 0.001 0.000 0.827 109 A CB -0.271 18.730 19.000 0.000 0.000 0.856 109 A HN 1.663 nan 8.150 nan 0.000 0.488 110 G N -1.893 106.907 108.800 -0.001 0.000 2.198 110 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.156 110 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.156 110 G C 0.066 174.964 174.900 -0.002 0.000 1.012 110 G CA 0.012 45.111 45.100 -0.002 0.000 0.692 110 G HN 0.273 nan 8.290 nan 0.000 0.492 111 M N 0.821 120.420 119.600 -0.002 0.000 2.359 111 M HA 0.374 4.854 4.480 -0.000 0.000 0.322 111 M C 0.515 176.813 176.300 -0.004 0.000 1.166 111 M CA -0.797 54.501 55.300 -0.003 0.000 1.067 111 M CB 0.840 33.439 32.600 -0.002 0.000 1.523 111 M HN 0.147 nan 8.290 nan 0.000 0.467 112 N N 1.719 120.417 118.700 -0.004 0.000 2.497 112 N HA 0.118 4.858 4.740 -0.000 0.000 0.268 112 N C -2.286 173.222 175.510 -0.004 0.000 1.171 112 N CA -1.222 51.825 53.050 -0.005 0.000 0.948 112 N CB 1.321 39.804 38.487 -0.005 0.000 1.069 112 N HN 0.252 nan 8.380 nan 0.000 0.460 113 P HA -0.036 nan 4.420 nan 0.000 0.213 113 P C 1.760 179.058 177.300 -0.004 0.000 1.170 113 P CA 1.120 64.217 63.100 -0.004 0.000 0.889 113 P CB 0.179 31.876 31.700 -0.006 0.000 0.782 114 M N -0.470 119.127 119.600 -0.005 0.000 2.260 114 M HA -0.168 4.312 4.480 -0.000 0.000 0.261 114 M C 1.183 177.481 176.300 -0.003 0.000 1.066 114 M CA 1.683 56.980 55.300 -0.004 0.000 1.082 114 M CB -1.509 31.088 32.600 -0.006 0.000 1.388 114 M HN 0.006 nan 8.290 nan 0.000 0.419 115 D N -0.142 120.256 120.400 -0.003 0.000 2.144 115 D HA 0.018 4.658 4.640 -0.000 0.000 0.207 115 D C 2.238 178.537 176.300 -0.001 0.000 0.970 115 D CA 0.719 54.717 54.000 -0.002 0.000 0.853 115 D CB -0.215 40.583 40.800 -0.003 0.000 1.007 115 D HN 0.303 nan 8.370 nan 0.000 0.469 116 L N 1.015 122.238 121.223 -0.001 0.000 2.137 116 L HA -0.228 4.112 4.340 -0.000 0.000 0.213 116 L C 2.469 179.339 176.870 0.001 0.000 1.085 116 L CA 1.254 56.094 54.840 -0.000 0.000 0.760 116 L CB -0.381 41.678 42.059 -0.000 0.000 0.893 116 L HN 0.045 nan 8.230 nan 0.000 0.434 117 K N 0.254 120.655 120.400 0.001 0.000 2.097 117 K HA -0.197 4.123 4.320 -0.000 0.000 0.205 117 K C 2.301 178.902 176.600 0.002 0.000 1.050 117 K CA 1.083 57.371 56.287 0.002 0.000 0.938 117 K CB 0.080 32.581 32.500 0.003 0.000 0.718 117 K HN 0.125 nan 8.250 nan 0.000 0.442 118 R N -0.196 120.305 120.500 0.001 0.000 2.057 118 R HA -0.043 4.297 4.340 -0.000 0.000 0.229 118 R C 2.366 178.666 176.300 -0.000 0.000 1.136 118 R CA 1.556 57.656 56.100 0.000 0.000 0.952 118 R CB -0.662 29.638 30.300 -0.001 0.000 0.848 118 R HN 0.373 nan 8.270 nan 0.000 0.430 119 G N 1.265 110.065 108.800 -0.000 0.000 2.556 119 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.220 119 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.220 119 G C 1.441 176.341 174.900 0.000 0.000 1.156 119 G CA 1.339 46.439 45.100 -0.000 0.000 0.766 119 G HN 0.297 nan 8.290 nan 0.000 0.583 120 I N 0.655 121.225 120.570 0.001 0.000 2.179 120 I HA -0.135 4.035 4.170 -0.000 0.000 0.242 120 I C 2.244 178.361 176.117 0.000 0.000 1.088 120 I CA 1.371 62.672 61.300 0.002 0.000 1.357 120 I CB -0.198 37.804 38.000 0.003 0.000 1.051 120 I HN 0.098 nan 8.210 nan 0.000 0.409 121 D N 0.492 120.893 120.400 0.000 0.000 2.264 121 D HA -0.173 4.467 4.640 -0.000 0.000 0.208 121 D C 2.015 178.313 176.300 -0.004 0.000 0.966 121 D CA 0.953 54.952 54.000 -0.002 0.000 0.864 121 D CB 0.008 40.808 40.800 -0.000 0.000 0.933 121 D HN 0.343 nan 8.370 nan 0.000 0.499 122 K N 0.874 121.273 120.400 -0.003 0.000 2.005 122 K HA -0.026 4.294 4.320 -0.000 0.000 0.206 122 K C 2.127 178.725 176.600 -0.003 0.000 1.044 122 K CA 0.949 57.235 56.287 -0.003 0.000 0.942 122 K CB -0.026 32.473 32.500 -0.002 0.000 0.727 122 K HN -0.073 nan 8.250 nan 0.000 0.439 123 A N 0.853 123.672 122.820 -0.002 0.000 2.009 123 A HA -0.178 4.142 4.320 -0.000 0.000 0.222 123 A C 2.198 179.780 177.584 -0.003 0.000 1.175 123 A CA 1.971 54.007 52.037 -0.002 0.000 0.651 123 A CB -0.736 18.263 19.000 -0.000 0.000 0.815 123 A HN 0.221 nan 8.150 nan 0.000 0.459 124 V N -0.826 119.085 119.914 -0.005 0.000 2.273 124 V HA -0.179 3.941 4.120 -0.000 0.000 0.242 124 V C 2.663 178.750 176.094 -0.012 0.000 1.035 124 V CA 2.315 64.609 62.300 -0.009 0.000 1.013 124 V CB -1.258 30.558 31.823 -0.012 0.000 0.652 124 V HN 0.601 nan 8.190 nan 0.000 0.452 125 T N 0.651 115.198 114.554 -0.013 0.000 2.802 125 T HA -0.258 4.092 4.350 -0.000 0.000 0.269 125 T C 1.833 176.527 174.700 -0.011 0.000 1.062 125 T CA 1.697 63.788 62.100 -0.014 0.000 1.133 125 T CB -0.403 68.458 68.868 -0.011 0.000 0.852 125 T HN 0.569 nan 8.240 nan 0.000 0.485 126 A N 1.389 124.205 122.820 -0.007 0.000 1.843 126 A HA 0.436 4.756 4.320 -0.000 0.000 0.213 126 A C 2.702 180.283 177.584 -0.005 0.000 1.202 126 A CA 1.253 53.287 52.037 -0.005 0.000 0.607 126 A CB -1.242 17.757 19.000 -0.003 0.000 0.847 126 A HN 0.479 nan 8.150 nan 0.000 0.445 127 A N -0.350 122.467 122.820 -0.004 0.000 2.024 127 A HA -0.026 4.294 4.320 -0.000 0.000 0.220 127 A C 2.091 179.671 177.584 -0.006 0.000 1.164 127 A CA 1.825 53.860 52.037 -0.003 0.000 0.643 127 A CB -0.889 18.110 19.000 -0.003 0.000 0.806 127 A HN 0.436 nan 8.150 nan 0.000 0.451 128 V N -0.375 119.532 119.914 -0.012 0.000 2.626 128 V HA -0.232 3.888 4.120 -0.000 0.000 0.252 128 V C 2.266 178.353 176.094 -0.012 0.000 1.067 128 V CA 2.213 64.503 62.300 -0.016 0.000 1.081 128 V CB -0.693 31.115 31.823 -0.025 0.000 0.686 128 V HN 0.656 nan 8.190 nan 0.000 0.468 129 E N -0.219 119.976 120.200 -0.008 0.000 2.075 129 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 129 E C 2.179 178.779 176.600 -0.001 0.000 0.969 129 E CA 0.586 56.983 56.400 -0.005 0.000 0.815 129 E CB -0.098 29.599 29.700 -0.004 0.000 0.776 129 E HN 0.426 nan 8.360 nan 0.000 0.457 130 E N 0.977 121.177 120.200 0.000 0.000 2.284 130 E HA -0.204 4.146 4.350 -0.000 0.000 0.200 130 E C 1.720 178.323 176.600 0.005 0.000 1.008 130 E CA 0.597 56.999 56.400 0.004 0.000 0.829 130 E CB -0.046 29.656 29.700 0.004 0.000 0.744 130 E HN 0.124 nan 8.360 nan 0.000 0.491 131 L N 0.217 121.442 121.223 0.003 0.000 2.162 131 L HA 0.016 4.355 4.340 -0.000 0.000 0.205 131 L C 1.687 178.559 176.870 0.004 0.000 1.086 131 L CA 1.319 56.161 54.840 0.004 0.000 0.778 131 L CB -0.019 42.039 42.059 -0.001 0.000 0.928 131 L HN -0.075 nan 8.230 nan 0.000 0.446 132 K N -0.408 119.993 120.400 0.001 0.000 2.574 132 K HA -0.029 4.291 4.320 -0.000 0.000 0.193 132 K C 1.771 178.374 176.600 0.004 0.000 1.035 132 K CA 0.574 56.862 56.287 0.001 0.000 0.982 132 K CB -0.061 32.438 32.500 -0.001 0.000 0.795 132 K HN 0.445 nan 8.250 nan 0.000 0.491 133 A N 1.442 124.265 122.820 0.006 0.000 1.835 133 A HA -0.071 4.249 4.320 -0.000 0.000 0.213 133 A C 1.988 179.578 177.584 0.010 0.000 1.210 133 A CA 0.709 52.750 52.037 0.008 0.000 0.605 133 A CB -0.480 18.525 19.000 0.009 0.000 0.860 133 A HN 0.109 nan 8.150 nan 0.000 0.447 134 L N 0.429 121.660 121.223 0.013 0.000 2.081 134 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 134 L C 1.543 178.422 176.870 0.015 0.000 1.080 134 L CA 1.178 56.028 54.840 0.017 0.000 0.754 134 L CB -1.251 40.820 42.059 0.020 0.000 0.893 134 L HN 0.424 nan 8.230 nan 0.000 0.433 135 S N 0.452 116.160 115.700 0.012 0.000 3.225 135 S HA -0.007 4.463 4.470 -0.000 0.000 0.378 135 S C -0.122 174.484 174.600 0.011 0.000 1.190 135 S CA -0.281 57.925 58.200 0.011 0.000 1.104 135 S CB -0.136 63.068 63.200 0.007 0.000 0.795 135 S HN 0.075 nan 8.310 nan 0.000 0.517 136 V N 9.710 129.632 119.914 0.012 0.000 2.328 136 V HA 0.323 4.443 4.120 -0.000 0.000 0.278 136 V C -1.684 174.416 176.094 0.010 0.000 1.021 136 V CA -1.777 60.530 62.300 0.012 0.000 0.838 136 V CB 0.942 32.774 31.823 0.014 0.000 0.999 136 V HN 0.752 nan 8.190 nan 0.000 0.447 137 P HA -0.095 nan 4.420 nan 0.000 0.274 137 P C -0.180 177.125 177.300 0.007 0.000 1.224 137 P CA 0.133 63.238 63.100 0.007 0.000 0.803 137 P CB 0.308 32.012 31.700 0.006 0.000 0.876 138 C N 1.034 120.338 119.300 0.006 0.000 3.079 138 C HA 0.297 4.757 4.460 -0.000 0.000 0.246 138 C C 1.198 176.190 174.990 0.004 0.000 1.025 138 C CA 0.025 59.047 59.018 0.006 0.000 1.081 138 C CB -1.378 26.366 27.740 0.007 0.000 1.757 138 C HN 0.548 nan 8.230 nan 0.000 0.646 139 S N 0.608 116.310 115.700 0.003 0.000 2.545 139 S HA 0.082 4.552 4.470 -0.000 0.000 0.232 139 S C 0.375 174.976 174.600 0.001 0.000 1.070 139 S CA 0.196 58.397 58.200 0.002 0.000 0.923 139 S CB 0.036 63.237 63.200 0.002 0.000 0.806 139 S HN 0.922 nan 8.310 nan 0.000 0.506 140 D N 2.337 122.738 120.400 0.002 0.000 2.348 140 D HA 0.080 4.720 4.640 -0.000 0.000 0.253 140 D C 0.670 176.970 176.300 0.001 0.000 1.161 140 D CA 0.009 54.010 54.000 0.001 0.000 0.876 140 D CB 1.115 41.916 40.800 0.002 0.000 1.160 140 D HN 0.162 nan 8.370 nan 0.000 0.459 141 S N 1.693 117.393 115.700 0.000 0.000 2.559 141 S HA -0.244 4.226 4.470 -0.000 0.000 0.250 141 S C 1.349 175.949 174.600 0.001 0.000 0.977 141 S CA 0.713 58.913 58.200 -0.000 0.000 0.958 141 S CB -0.301 62.899 63.200 -0.001 0.000 0.751 141 S HN 0.659 nan 8.310 nan 0.000 0.534 142 K N 1.348 121.749 120.400 0.002 0.000 2.141 142 K HA 0.254 4.574 4.320 -0.000 0.000 0.202 142 K C 2.238 178.840 176.600 0.003 0.000 1.045 142 K CA 0.743 57.031 56.287 0.002 0.000 0.971 142 K CB -0.427 32.075 32.500 0.002 0.000 0.795 142 K HN 0.354 nan 8.250 nan 0.000 0.459 143 A N 1.330 124.152 122.820 0.004 0.000 2.014 143 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 143 A C 1.973 179.560 177.584 0.005 0.000 1.163 143 A CA 0.751 52.791 52.037 0.005 0.000 0.652 143 A CB -0.429 18.574 19.000 0.006 0.000 0.808 143 A HN 0.322 nan 8.150 nan 0.000 0.449 144 I N -0.347 120.225 120.570 0.004 0.000 2.226 144 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 144 I C 2.964 179.084 176.117 0.004 0.000 1.100 144 I CA 0.976 62.278 61.300 0.003 0.000 1.374 144 I CB -0.280 37.720 38.000 0.001 0.000 1.057 144 I HN 0.386 nan 8.210 nan 0.000 0.413 145 A N 0.371 123.193 122.820 0.003 0.000 1.858 145 A HA -0.281 4.039 4.320 -0.000 0.000 0.216 145 A C 2.205 179.792 177.584 0.005 0.000 1.190 145 A CA 1.661 53.700 52.037 0.003 0.000 0.617 145 A CB -0.732 18.269 19.000 0.003 0.000 0.827 145 A HN 0.469 nan 8.150 nan 0.000 0.443 146 Q N -0.526 119.277 119.800 0.005 0.000 2.152 146 Q HA -0.148 4.192 4.340 -0.000 0.000 0.206 146 Q C 2.130 178.134 176.000 0.008 0.000 0.985 146 Q CA 1.676 57.483 55.803 0.006 0.000 0.863 146 Q CB -0.475 28.267 28.738 0.007 0.000 0.904 146 Q HN 0.514 nan 8.270 nan 0.000 0.422 147 V N 0.355 120.275 119.914 0.009 0.000 2.229 147 V HA -0.192 3.928 4.120 -0.000 0.000 0.243 147 V C 2.293 178.394 176.094 0.012 0.000 1.042 147 V CA 2.079 64.385 62.300 0.011 0.000 1.000 147 V CB -1.274 30.556 31.823 0.012 0.000 0.637 147 V HN 0.554 nan 8.190 nan 0.000 0.446 148 G N -0.720 108.087 108.800 0.011 0.000 2.507 148 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.221 148 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.221 148 G C 1.648 176.555 174.900 0.011 0.000 1.119 148 G CA 1.750 46.857 45.100 0.012 0.000 0.751 148 G HN 0.484 nan 8.290 nan 0.000 0.574 149 T N 0.986 115.545 114.554 0.009 0.000 2.867 149 T HA 0.018 4.368 4.350 -0.000 0.000 0.268 149 T C 2.295 177.000 174.700 0.008 0.000 1.057 149 T CA 0.817 62.921 62.100 0.007 0.000 1.136 149 T CB -0.086 68.785 68.868 0.006 0.000 0.874 149 T HN 0.324 nan 8.240 nan 0.000 0.466 150 I N 0.656 121.232 120.570 0.009 0.000 2.876 150 I HA 0.001 4.171 4.170 -0.000 0.000 0.264 150 I C 2.137 178.260 176.117 0.010 0.000 1.204 150 I CA 0.542 61.847 61.300 0.008 0.000 1.485 150 I CB -0.089 37.916 38.000 0.009 0.000 1.103 150 I HN 0.109 nan 8.210 nan 0.000 0.446 151 S N 0.858 116.566 115.700 0.013 0.000 2.527 151 S HA 0.140 4.610 4.470 -0.000 0.000 0.222 151 S C 1.682 176.290 174.600 0.015 0.000 0.985 151 S CA 0.742 58.952 58.200 0.016 0.000 0.921 151 S CB 0.130 63.344 63.200 0.024 0.000 0.772 151 S HN 0.481 nan 8.310 nan 0.000 0.529 152 A N 1.336 124.164 122.820 0.012 0.000 2.500 152 A HA 0.442 4.762 4.320 -0.000 0.000 0.267 152 A C 0.569 178.157 177.584 0.007 0.000 1.290 152 A CA -0.362 51.681 52.037 0.011 0.000 0.928 152 A CB -0.407 18.599 19.000 0.010 0.000 1.066 152 A HN 0.370 nan 8.150 nan 0.000 0.516 153 N N -0.261 118.443 118.700 0.006 0.000 2.746 153 N HA -0.208 4.532 4.740 -0.000 0.000 0.250 153 N C 0.204 175.716 175.510 0.003 0.000 1.055 153 N CA 1.037 54.089 53.050 0.004 0.000 0.699 153 N CB -1.866 36.623 38.487 0.003 0.000 0.919 153 N HN 0.509 nan 8.380 nan 0.000 0.548 154 S N -1.544 114.158 115.700 0.003 0.000 3.490 154 S HA -0.233 4.237 4.470 -0.000 0.000 0.301 154 S C -0.359 174.242 174.600 0.003 0.000 1.233 154 S CA 0.845 59.046 58.200 0.003 0.000 0.914 154 S CB -1.028 62.173 63.200 0.001 0.000 1.047 154 S HN 0.767 nan 8.310 nan 0.000 0.602 155 D N 1.347 121.749 120.400 0.004 0.000 2.441 155 D HA 0.222 4.862 4.640 -0.000 0.000 0.221 155 D C 1.124 177.426 176.300 0.004 0.000 1.156 155 D CA -0.277 53.725 54.000 0.004 0.000 0.896 155 D CB 0.510 41.313 40.800 0.004 0.000 1.028 155 D HN 0.474 nan 8.370 nan 0.000 0.509 156 E N 1.359 121.560 120.200 0.003 0.000 2.171 156 E HA -0.176 4.174 4.350 -0.000 0.000 0.197 156 E C 1.514 178.115 176.600 0.003 0.000 0.997 156 E CA 1.257 57.658 56.400 0.003 0.000 0.810 156 E CB 0.154 29.855 29.700 0.002 0.000 0.738 156 E HN 0.496 nan 8.360 nan 0.000 0.467 157 T N 1.021 115.577 114.554 0.002 0.000 2.699 157 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 157 T C 2.097 176.799 174.700 0.002 0.000 1.036 157 T CA 1.423 63.525 62.100 0.002 0.000 1.147 157 T CB -0.300 68.569 68.868 0.002 0.000 0.862 157 T HN 0.000 nan 8.240 nan 0.000 0.446 158 V N 1.491 121.407 119.914 0.004 0.000 2.216 158 V HA -0.097 4.023 4.120 -0.000 0.000 0.243 158 V C 2.929 179.025 176.094 0.004 0.000 1.044 158 V CA 2.008 64.311 62.300 0.005 0.000 0.995 158 V CB -1.631 30.196 31.823 0.007 0.000 0.633 158 V HN 0.571 nan 8.190 nan 0.000 0.446 159 G N 0.003 108.805 108.800 0.005 0.000 2.663 159 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.222 159 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.222 159 G C 1.634 176.535 174.900 0.002 0.000 1.146 159 G CA 1.803 46.906 45.100 0.004 0.000 0.764 159 G HN 0.544 nan 8.290 nan 0.000 0.608 160 K N 0.062 120.463 120.400 0.001 0.000 2.002 160 K HA 0.026 4.345 4.320 -0.000 0.000 0.209 160 K C 2.635 179.234 176.600 -0.001 0.000 1.048 160 K CA 1.156 57.444 56.287 0.000 0.000 0.930 160 K CB -0.375 32.125 32.500 0.000 0.000 0.714 160 K HN 0.351 nan 8.250 nan 0.000 0.438 161 L N 1.149 122.372 121.223 -0.001 0.000 2.034 161 L HA -0.291 4.049 4.340 -0.000 0.000 0.217 161 L C 2.497 179.365 176.870 -0.004 0.000 1.077 161 L CA 1.629 56.468 54.840 -0.002 0.000 0.769 161 L CB -0.419 41.639 42.059 -0.001 0.000 0.890 161 L HN 0.328 nan 8.230 nan 0.000 0.435 162 I N -0.768 119.801 120.570 -0.003 0.000 2.072 162 I HA -0.336 3.834 4.170 -0.000 0.000 0.235 162 I C 2.813 178.926 176.117 -0.007 0.000 1.058 162 I CA 1.300 62.596 61.300 -0.006 0.000 1.320 162 I CB -0.679 37.319 38.000 -0.003 0.000 1.047 162 I HN 0.254 nan 8.210 nan 0.000 0.397 163 A N 0.593 123.410 122.820 -0.004 0.000 1.915 163 A HA -0.306 4.014 4.320 -0.000 0.000 0.220 163 A C 2.182 179.763 177.584 -0.005 0.000 1.198 163 A CA 2.330 54.364 52.037 -0.004 0.000 0.647 163 A CB -0.904 18.095 19.000 -0.002 0.000 0.825 163 A HN 0.554 nan 8.150 nan 0.000 0.456 164 E N -0.656 119.541 120.200 -0.005 0.000 2.153 164 E HA -0.096 4.254 4.350 -0.000 0.000 0.194 164 E C 2.318 178.914 176.600 -0.007 0.000 0.988 164 E CA 0.844 57.241 56.400 -0.005 0.000 0.811 164 E CB -0.274 29.423 29.700 -0.004 0.000 0.746 164 E HN 0.676 nan 8.360 nan 0.000 0.466 165 A N 1.297 124.112 122.820 -0.009 0.000 1.854 165 A HA -0.142 4.178 4.320 -0.000 0.000 0.214 165 A C 2.179 179.755 177.584 -0.013 0.000 1.192 165 A CA 1.137 53.167 52.037 -0.012 0.000 0.611 165 A CB -0.413 18.579 19.000 -0.014 0.000 0.832 165 A HN 0.104 nan 8.150 nan 0.000 0.442 166 M N -0.823 118.769 119.600 -0.013 0.000 2.213 166 M HA -0.159 4.321 4.480 -0.000 0.000 0.263 166 M C 1.359 177.653 176.300 -0.010 0.000 1.062 166 M CA 1.717 57.009 55.300 -0.013 0.000 1.105 166 M CB -0.587 32.005 32.600 -0.013 0.000 1.385 166 M HN 0.360 nan 8.290 nan 0.000 0.417 167 D N 0.307 120.702 120.400 -0.008 0.000 2.378 167 D HA -0.059 4.581 4.640 -0.000 0.000 0.227 167 D C 1.795 178.090 176.300 -0.007 0.000 1.012 167 D CA 0.748 54.744 54.000 -0.007 0.000 0.905 167 D CB 0.307 41.104 40.800 -0.005 0.000 0.895 167 D HN 0.038 nan 8.370 nan 0.000 0.532 168 K N -0.679 119.716 120.400 -0.008 0.000 2.399 168 K HA 0.116 4.436 4.320 -0.000 0.000 0.196 168 K C 0.882 177.476 176.600 -0.009 0.000 1.103 168 K CA 0.446 56.728 56.287 -0.008 0.000 0.986 168 K CB 1.529 34.023 32.500 -0.009 0.000 0.952 168 K HN 0.151 nan 8.250 nan 0.000 0.541 169 V N -3.026 116.881 119.914 -0.011 0.000 3.261 169 V HA 0.439 4.559 4.120 -0.000 0.000 0.330 169 V C 0.263 176.350 176.094 -0.012 0.000 1.461 169 V CA -0.188 62.105 62.300 -0.012 0.000 1.127 169 V CB 0.096 31.910 31.823 -0.014 0.000 1.044 169 V HN 0.216 nan 8.190 nan 0.000 0.499 170 G N 2.524 111.318 108.800 -0.011 0.000 2.750 170 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.686 170 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.686 170 G C 0.246 175.139 174.900 -0.012 0.000 1.395 170 G CA -0.013 45.081 45.100 -0.010 0.000 0.918 170 G HN 0.775 nan 8.290 nan 0.000 0.594 171 K N 0.332 120.725 120.400 -0.011 0.000 2.633 171 K HA -0.020 4.300 4.320 -0.000 0.000 0.193 171 K C 0.627 177.218 176.600 -0.015 0.000 1.033 171 K CA 1.363 57.643 56.287 -0.013 0.000 0.980 171 K CB 0.388 32.882 32.500 -0.009 0.000 0.800 171 K HN 0.515 nan 8.250 nan 0.000 0.493 172 E N 1.121 121.313 120.200 -0.014 0.000 2.651 172 E HA 0.125 4.475 4.350 -0.000 0.000 0.208 172 E C 0.403 176.993 176.600 -0.017 0.000 0.997 172 E CA -0.099 56.292 56.400 -0.014 0.000 1.020 172 E CB 1.168 30.863 29.700 -0.010 0.000 1.052 172 E HN 0.414 nan 8.360 nan 0.000 0.465 173 G N 0.379 109.167 108.800 -0.020 0.000 2.642 173 G HA2 0.438 4.398 3.960 -0.000 0.000 0.291 173 G HA3 0.438 4.398 3.960 -0.000 0.000 0.291 173 G C -0.070 174.811 174.900 -0.031 0.000 1.345 173 G CA -0.437 44.650 45.100 -0.022 0.000 1.043 173 G HN -0.034 nan 8.290 nan 0.000 0.528 174 V N 0.037 119.932 119.914 -0.031 0.000 2.509 174 V HA 0.571 4.691 4.120 -0.000 0.000 0.284 174 V C -0.101 175.968 176.094 -0.043 0.000 1.047 174 V CA -0.348 61.927 62.300 -0.041 0.000 0.952 174 V CB 0.906 32.707 31.823 -0.037 0.000 0.988 174 V HN 0.482 nan 8.190 nan 0.000 0.469 175 I N 3.093 123.630 120.570 -0.055 0.000 2.571 175 I HA 0.518 4.688 4.170 -0.000 0.000 0.289 175 I C -0.393 175.692 176.117 -0.053 0.000 1.115 175 I CA -0.154 61.116 61.300 -0.050 0.000 1.045 175 I CB 2.486 40.455 38.000 -0.052 0.000 1.238 175 I HN 0.618 nan 8.210 nan 0.000 0.424 176 T N 4.557 119.088 114.554 -0.039 0.000 2.907 176 T HA 0.602 4.952 4.350 -0.000 0.000 0.292 176 T C -0.505 174.182 174.700 -0.021 0.000 1.043 176 T CA -0.723 61.357 62.100 -0.033 0.000 1.003 176 T CB 2.498 71.347 68.868 -0.032 0.000 1.084 176 T HN 0.385 nan 8.240 nan 0.000 0.483 177 V N 0.066 119.972 119.914 -0.013 0.000 2.378 177 V HA 0.645 4.765 4.120 -0.000 0.000 0.288 177 V C -0.198 175.895 176.094 -0.003 0.000 1.016 177 V CA -0.817 61.480 62.300 -0.005 0.000 0.840 177 V CB 1.027 32.851 31.823 0.003 0.000 0.994 177 V HN 0.868 nan 8.190 nan 0.000 0.431 178 E N 2.552 122.749 120.200 -0.004 0.000 2.803 178 E HA 0.430 4.780 4.350 -0.000 0.000 0.250 178 E C -0.944 175.656 176.600 -0.000 0.000 1.102 178 E CA -0.942 55.456 56.400 -0.003 0.000 1.017 178 E CB 0.816 30.512 29.700 -0.006 0.000 1.346 178 E HN 0.765 nan 8.360 nan 0.000 0.532 179 D N -0.113 120.287 120.400 -0.000 0.000 2.229 179 D HA 0.286 4.926 4.640 -0.000 0.000 0.249 179 D C -0.150 176.150 176.300 -0.000 0.000 1.027 179 D CA -0.228 53.773 54.000 0.001 0.000 0.923 179 D CB 1.505 42.306 40.800 0.002 0.000 1.174 179 D HN 0.441 nan 8.370 nan 0.000 0.443 180 G N -0.888 107.912 108.800 0.001 0.000 2.539 180 G HA2 0.283 4.243 3.960 -0.000 0.000 0.258 180 G HA3 0.283 4.243 3.960 -0.000 0.000 0.258 180 G C 0.847 175.747 174.900 -0.001 0.000 1.202 180 G CA -0.303 44.797 45.100 -0.000 0.000 0.851 180 G HN 0.449 nan 8.290 nan 0.000 0.556 181 T N -2.728 111.825 114.554 -0.001 0.000 3.069 181 T HA 0.467 4.817 4.350 -0.000 0.000 0.252 181 T C 0.987 175.686 174.700 -0.001 0.000 1.053 181 T CA 0.524 62.623 62.100 -0.002 0.000 0.964 181 T CB 0.344 69.211 68.868 -0.003 0.000 1.005 181 T HN 2.007 nan 8.240 nan 0.000 0.532 182 G N 1.997 110.797 108.800 -0.000 0.000 2.314 182 G HA2 0.303 4.263 3.960 -0.000 0.000 0.286 182 G HA3 0.303 4.263 3.960 -0.000 0.000 0.286 182 G C -0.570 174.330 174.900 -0.000 0.000 1.270 182 G CA -0.615 44.484 45.100 -0.000 0.000 1.277 182 G HN 0.626 nan 8.290 nan 0.000 0.635 183 L N -0.037 121.186 121.223 0.000 0.000 0.611 183 L HA -0.182 4.158 4.340 -0.000 0.000 0.356 183 L C 0.460 177.330 176.870 -0.000 0.000 1.007 183 L CA 2.308 57.148 54.840 0.000 0.000 1.222 183 L CB -0.314 41.745 42.059 0.000 0.000 0.016 183 L HN 1.795 nan 8.230 nan 0.000 0.101 184 Q N 1.566 121.365 119.800 -0.000 0.000 2.667 184 Q HA -0.122 4.218 4.340 -0.000 0.000 0.210 184 Q C -0.616 175.383 176.000 -0.001 0.000 1.417 184 Q CA 1.019 56.822 55.803 -0.001 0.000 0.607 184 Q CB -0.565 28.172 28.738 -0.001 0.000 0.739 184 Q HN 0.598 nan 8.270 nan 0.000 0.315 185 D N 3.356 123.756 120.400 -0.001 0.000 2.455 185 D HA 0.039 4.679 4.640 -0.000 0.000 0.241 185 D C 0.307 176.605 176.300 -0.002 0.000 1.138 185 D CA 0.764 54.764 54.000 -0.001 0.000 0.877 185 D CB 0.715 41.514 40.800 -0.001 0.000 1.187 185 D HN 0.307 nan 8.370 nan 0.000 0.451 186 E N 0.293 120.491 120.200 -0.003 0.000 2.244 186 E HA 0.601 4.951 4.350 -0.000 0.000 0.266 186 E C -0.905 175.692 176.600 -0.005 0.000 0.914 186 E CA -0.994 55.404 56.400 -0.004 0.000 0.794 186 E CB 2.289 31.986 29.700 -0.004 0.000 1.210 186 E HN 0.124 nan 8.360 nan 0.000 0.414 187 L N 2.766 123.986 121.223 -0.005 0.000 2.588 187 L HA 0.413 4.753 4.340 -0.000 0.000 0.263 187 L C -2.187 174.679 176.870 -0.007 0.000 0.935 187 L CA -0.256 54.580 54.840 -0.007 0.000 0.891 187 L CB 1.762 43.818 42.059 -0.006 0.000 1.318 187 L HN 0.608 nan 8.230 nan 0.000 0.409 188 D N 3.485 123.880 120.400 -0.008 0.000 2.622 188 D HA 0.455 5.095 4.640 -0.000 0.000 0.255 188 D C -1.351 174.944 176.300 -0.009 0.000 1.246 188 D CA -0.423 53.572 54.000 -0.008 0.000 0.795 188 D CB 2.100 42.896 40.800 -0.007 0.000 1.369 188 D HN 0.303 nan 8.370 nan 0.000 0.425 189 V N 0.256 120.165 119.914 -0.009 0.000 2.435 189 V HA 0.590 4.710 4.120 -0.000 0.000 0.290 189 V C 0.329 176.418 176.094 -0.009 0.000 1.030 189 V CA -0.667 61.627 62.300 -0.009 0.000 0.881 189 V CB 1.258 33.076 31.823 -0.008 0.000 0.983 189 V HN 0.606 nan 8.190 nan 0.000 0.445 190 V N 1.222 121.130 119.914 -0.010 0.000 2.962 190 V HA 0.654 4.774 4.120 -0.000 0.000 0.313 190 V C -0.325 175.765 176.094 -0.007 0.000 1.099 190 V CA -1.010 61.285 62.300 -0.009 0.000 0.971 190 V CB 2.186 34.003 31.823 -0.011 0.000 1.028 190 V HN 0.710 nan 8.190 nan 0.000 0.430 191 E N 2.444 122.641 120.200 -0.005 0.000 2.341 191 E HA 0.470 4.820 4.350 -0.000 0.000 0.256 191 E C 0.349 176.949 176.600 0.001 0.000 1.125 191 E CA 0.826 57.225 56.400 -0.001 0.000 0.939 191 E CB 0.780 30.480 29.700 0.001 0.000 0.991 191 E HN 1.098 nan 8.360 nan 0.000 0.458 192 G N 1.689 110.490 108.800 0.002 0.000 2.911 192 G HA2 0.751 4.710 3.960 -0.000 0.000 0.299 192 G HA3 0.751 4.710 3.960 -0.000 0.000 0.299 192 G C -0.931 173.978 174.900 0.015 0.000 1.283 192 G CA -0.557 44.545 45.100 0.004 0.000 0.805 192 G HN 0.415 nan 8.290 nan 0.000 0.548 193 M N -0.845 118.763 119.600 0.014 0.000 2.790 193 M HA 0.520 5.000 4.480 -0.000 0.000 0.272 193 M C -2.455 173.844 176.300 -0.002 0.000 1.168 193 M CA -0.621 54.701 55.300 0.037 0.000 0.829 193 M CB 2.387 35.045 32.600 0.097 0.000 1.675 193 M HN 0.640 nan 8.290 nan 0.000 0.505 194 Q N 2.756 122.564 119.800 0.013 0.000 2.281 194 Q HA 0.555 4.895 4.340 -0.000 0.000 0.263 194 Q C -2.258 173.739 176.000 -0.005 0.000 0.989 194 Q CA -0.529 55.209 55.803 -0.108 0.000 0.852 194 Q CB 1.906 30.582 28.738 -0.103 0.000 1.337 194 Q HN 0.587 nan 8.270 nan 0.000 0.418 195 F N -0.022 119.920 119.950 -0.013 0.000 2.579 195 F HA 0.543 5.070 4.527 -0.000 0.000 0.324 195 F C 0.083 175.876 175.800 -0.011 0.000 1.058 195 F CA -1.133 56.862 58.000 -0.009 0.000 0.944 195 F CB 1.003 40.001 39.000 -0.003 0.000 1.245 195 F HN 0.292 nan 8.300 nan 0.000 0.477 196 D N 2.495 123.027 120.400 0.219 0.000 2.982 196 D HA 0.087 4.727 4.640 -0.000 0.000 0.238 196 D C -0.164 176.218 176.300 0.138 0.000 1.168 196 D CA 0.353 54.422 54.000 0.115 0.000 0.947 196 D CB -0.049 40.804 40.800 0.088 0.000 1.147 196 D HN 0.246 nan 8.370 nan 0.000 0.450 197 R N -0.039 120.569 120.500 0.179 0.000 2.686 197 R HA 0.596 4.936 4.340 -0.000 0.000 0.286 197 R C 0.365 176.677 176.300 0.020 0.000 0.969 197 R CA -0.718 55.479 56.100 0.162 0.000 0.898 197 R CB 2.186 32.696 30.300 0.352 0.000 1.183 197 R HN 0.100 nan 8.270 nan 0.000 0.456 198 G N 0.856 109.635 108.800 -0.036 0.000 2.667 198 G HA2 0.455 4.415 3.960 -0.000 0.000 0.310 198 G HA3 0.455 4.415 3.960 -0.000 0.000 0.310 198 G C -0.757 174.104 174.900 -0.066 0.000 1.259 198 G CA -0.570 44.423 45.100 -0.179 0.000 1.019 198 G HN 0.433 nan 8.290 nan 0.000 0.496 199 Y N -0.824 119.499 120.300 0.039 0.000 2.652 199 Y HA 0.267 4.817 4.550 -0.000 0.000 0.344 199 Y C 1.346 177.311 175.900 0.108 0.000 1.254 199 Y CA -1.023 57.111 58.100 0.058 0.000 1.480 199 Y CB 0.185 38.718 38.460 0.122 0.000 1.345 199 Y HN 0.214 nan 8.280 nan 0.000 0.617 200 L N 1.246 122.715 121.223 0.410 0.000 2.240 200 L HA 0.055 4.395 4.340 -0.000 0.000 0.211 200 L C 0.521 177.602 176.870 0.351 0.000 1.106 200 L CA 1.176 56.220 54.840 0.340 0.000 0.793 200 L CB -0.449 41.779 42.059 0.282 0.000 0.927 200 L HN 0.840 nan 8.230 nan 0.000 0.446 201 S N -3.106 112.827 115.700 0.388 0.000 2.547 201 S HA 0.488 4.958 4.470 -0.000 0.000 0.270 201 S C -2.750 171.692 174.600 -0.263 0.000 1.150 201 S CA -1.206 57.038 58.200 0.073 0.000 0.850 201 S CB 2.063 65.287 63.200 0.039 0.000 1.118 201 S HN -0.286 nan 8.310 nan 0.000 0.461 202 P HA 0.205 nan 4.420 nan 0.000 0.317 202 P C 0.261 177.245 177.300 -0.526 0.000 1.427 202 P CA 0.558 63.170 63.100 -0.813 0.000 0.820 202 P CB -0.158 31.069 31.700 -0.788 0.000 1.894 203 Y N -4.536 115.588 120.300 -0.293 0.000 2.843 203 Y HA -0.314 4.236 4.550 -0.000 0.000 0.492 203 Y C 1.964 177.741 175.900 -0.206 0.000 1.055 203 Y CA 1.480 59.421 58.100 -0.265 0.000 2.997 203 Y CB -3.168 35.079 38.460 -0.354 0.000 0.837 203 Y HN 0.081 nan 8.280 nan 0.000 0.553 204 F N 0.453 120.414 119.950 0.018 0.000 2.236 204 F HA -0.128 4.399 4.527 -0.000 0.000 0.302 204 F C 1.507 177.309 175.800 0.004 0.000 1.073 204 F CA 0.987 58.996 58.000 0.015 0.000 1.336 204 F CB -0.755 38.249 39.000 0.008 0.000 1.040 204 F HN -0.010 nan 8.300 nan 0.000 0.507 205 I N 2.494 123.137 120.570 0.121 0.000 2.943 205 I HA -0.227 3.943 4.170 -0.000 0.000 0.296 205 I C 0.761 176.925 176.117 0.079 0.000 1.220 205 I CA 0.542 61.886 61.300 0.072 0.000 1.409 205 I CB -0.127 37.865 38.000 -0.013 0.000 1.374 205 I HN 0.240 nan 8.210 nan 0.000 0.545 206 N N 4.857 123.607 118.700 0.083 0.000 2.184 206 N HA 0.072 4.812 4.740 -0.000 0.000 0.206 206 N C -0.031 175.510 175.510 0.051 0.000 1.151 206 N CA -0.139 52.951 53.050 0.066 0.000 0.878 206 N CB 0.489 39.017 38.487 0.069 0.000 1.014 206 N HN 0.487 nan 8.380 nan 0.000 0.512 207 K N 1.126 121.557 120.400 0.052 0.000 2.920 207 K HA 0.244 4.564 4.320 -0.000 0.000 0.175 207 K C -2.166 174.459 176.600 0.041 0.000 1.099 207 K CA -1.541 54.771 56.287 0.043 0.000 0.939 207 K CB 1.912 34.437 32.500 0.042 0.000 1.148 207 K HN -0.005 nan 8.250 nan 0.000 0.613 208 P HA -0.173 nan 4.420 nan 0.000 0.231 208 P C 0.208 177.523 177.300 0.024 0.000 1.154 208 P CA 1.094 64.210 63.100 0.027 0.000 0.762 208 P CB 0.506 32.219 31.700 0.021 0.000 0.790 209 E N -0.149 120.066 120.200 0.025 0.000 2.021 209 E HA -0.075 4.275 4.350 -0.000 0.000 0.189 209 E C 2.064 178.677 176.600 0.021 0.000 0.980 209 E CA 1.696 58.107 56.400 0.020 0.000 0.803 209 E CB -0.927 28.785 29.700 0.019 0.000 0.766 209 E HN 0.198 nan 8.360 nan 0.000 0.449 210 T N -1.282 113.290 114.554 0.030 0.000 2.942 210 T HA 0.111 4.461 4.350 -0.000 0.000 0.265 210 T C 1.357 176.084 174.700 0.045 0.000 1.062 210 T CA 0.910 63.031 62.100 0.034 0.000 1.139 210 T CB 0.011 68.905 68.868 0.043 0.000 0.883 210 T HN 0.419 nan 8.240 nan 0.000 0.468 211 G N 1.074 109.909 108.800 0.058 0.000 2.130 211 G HA2 0.108 4.068 3.960 -0.000 0.000 0.216 211 G HA3 0.108 4.068 3.960 -0.000 0.000 0.216 211 G C 0.035 175.026 174.900 0.150 0.000 0.999 211 G CA -0.056 45.094 45.100 0.084 0.000 0.686 211 G HN 0.908 nan 8.290 nan 0.000 0.515 212 A N -1.528 121.369 122.820 0.129 0.000 2.486 212 A HA 0.990 5.310 4.320 -0.000 0.000 0.277 212 A C -0.274 177.393 177.584 0.138 0.000 1.282 212 A CA -0.143 51.996 52.037 0.169 0.000 0.784 212 A CB 1.642 20.707 19.000 0.108 0.000 1.350 212 A HN 1.246 nan 8.150 nan 0.000 0.454 213 V N 0.223 120.221 119.914 0.140 0.000 2.769 213 V HA 0.666 4.786 4.120 -0.000 0.000 0.312 213 V C -0.309 175.822 176.094 0.063 0.000 1.058 213 V CA -0.425 61.940 62.300 0.109 0.000 0.952 213 V CB 1.633 33.533 31.823 0.129 0.000 1.019 213 V HN 0.909 nan 8.190 nan 0.000 0.445 214 E N 2.784 123.015 120.200 0.051 0.000 2.278 214 E HA 0.615 4.965 4.350 -0.000 0.000 0.272 214 E C -2.018 174.597 176.600 0.025 0.000 0.890 214 E CA -0.540 55.877 56.400 0.028 0.000 0.770 214 E CB 1.701 31.416 29.700 0.025 0.000 1.212 214 E HN 0.622 nan 8.360 nan 0.000 0.415 215 L N 3.408 124.638 121.223 0.011 0.000 2.381 215 L HA 0.519 4.859 4.340 -0.000 0.000 0.274 215 L C -0.430 176.434 176.870 -0.011 0.000 0.988 215 L CA -0.870 53.975 54.840 0.007 0.000 0.824 215 L CB 1.992 44.056 42.059 0.008 0.000 1.263 215 L HN 0.474 nan 8.230 nan 0.000 0.410 216 E N 1.510 121.701 120.200 -0.015 0.000 2.156 216 E HA 0.301 4.651 4.350 -0.000 0.000 0.279 216 E C -0.153 176.413 176.600 -0.058 0.000 0.965 216 E CA -0.535 55.847 56.400 -0.031 0.000 0.789 216 E CB 1.562 31.250 29.700 -0.021 0.000 1.098 216 E HN 0.635 nan 8.360 nan 0.000 0.397 217 S N 1.730 117.382 115.700 -0.081 0.000 3.614 217 S HA -0.123 4.347 4.470 -0.000 0.000 0.360 217 S C -2.039 172.431 174.600 -0.217 0.000 1.023 217 S CA 0.404 58.521 58.200 -0.139 0.000 1.114 217 S CB -1.330 61.792 63.200 -0.131 0.000 0.907 217 S HN 0.515 nan 8.310 nan 0.000 0.470 218 P HA 0.550 nan 4.420 nan 0.000 0.279 218 P C -0.132 177.040 177.300 -0.215 0.000 1.276 218 P CA -0.608 62.404 63.100 -0.146 0.000 0.801 218 P CB 0.545 32.227 31.700 -0.030 0.000 1.127 219 F N -0.470 119.486 119.950 0.011 0.000 2.432 219 F HA 0.475 5.001 4.527 -0.000 0.000 0.329 219 F C 0.749 176.556 175.800 0.012 0.000 1.076 219 F CA -0.445 57.562 58.000 0.012 0.000 1.018 219 F CB 0.890 39.897 39.000 0.012 0.000 1.201 219 F HN 0.047 nan 8.300 nan 0.000 0.489 220 I N 3.169 123.882 120.570 0.238 0.000 2.569 220 I HA 0.386 4.556 4.170 -0.000 0.000 0.296 220 I C -1.417 174.763 176.117 0.105 0.000 1.028 220 I CA -1.120 60.261 61.300 0.134 0.000 1.082 220 I CB 2.079 40.139 38.000 0.100 0.000 1.264 220 I HN 0.234 nan 8.210 nan 0.000 0.429 221 L N 6.891 128.156 121.223 0.070 0.000 2.280 221 L HA 0.520 4.860 4.340 -0.000 0.000 0.287 221 L C -1.077 175.812 176.870 0.032 0.000 1.023 221 L CA -0.186 54.680 54.840 0.043 0.000 0.819 221 L CB 0.952 43.029 42.059 0.031 0.000 1.212 221 L HN 0.474 nan 8.230 nan 0.000 0.420 222 L N 6.145 127.382 121.223 0.023 0.000 2.301 222 L HA 0.792 5.132 4.340 -0.000 0.000 0.278 222 L C -0.258 176.614 176.870 0.003 0.000 1.022 222 L CA -0.418 54.428 54.840 0.010 0.000 0.854 222 L CB 1.152 43.216 42.059 0.009 0.000 1.226 222 L HN 0.779 nan 8.230 nan 0.000 0.429 223 A N 1.846 124.667 122.820 0.001 0.000 2.381 223 A HA 0.445 4.765 4.320 -0.000 0.000 0.299 223 A C -1.055 176.528 177.584 -0.002 0.000 1.049 223 A CA -0.587 51.450 52.037 0.000 0.000 0.715 223 A CB 1.466 20.469 19.000 0.005 0.000 1.222 223 A HN 0.638 nan 8.150 nan 0.000 0.428 224 D N 2.504 122.902 120.400 -0.004 0.000 2.422 224 D HA 0.486 5.126 4.640 -0.000 0.000 0.227 224 D C -0.052 176.250 176.300 0.003 0.000 1.190 224 D CA 0.406 54.404 54.000 -0.004 0.000 0.905 224 D CB -0.293 40.503 40.800 -0.008 0.000 1.034 224 D HN 0.702 nan 8.370 nan 0.000 0.507 225 K N 0.719 121.124 120.400 0.008 0.000 3.663 225 K HA 0.130 4.450 4.320 -0.000 0.000 0.413 225 K C -1.402 175.208 176.600 0.018 0.000 1.089 225 K CA -1.131 55.164 56.287 0.013 0.000 0.860 225 K CB 0.245 32.752 32.500 0.011 0.000 1.492 225 K HN 0.023 nan 8.250 nan 0.000 0.517 226 K N 0.841 121.254 120.400 0.020 0.000 2.098 226 K HA 0.518 4.838 4.320 -0.000 0.000 0.261 226 K C -0.500 176.114 176.600 0.025 0.000 0.987 226 K CA -0.640 55.662 56.287 0.025 0.000 0.916 226 K CB 0.892 33.407 32.500 0.026 0.000 1.039 226 K HN 0.379 nan 8.250 nan 0.000 0.455 227 I N 1.667 122.255 120.570 0.030 0.000 2.439 227 I HA 0.099 4.269 4.170 -0.000 0.000 0.283 227 I C 0.145 176.283 176.117 0.035 0.000 1.023 227 I CA -0.106 61.212 61.300 0.031 0.000 1.100 227 I CB 1.903 39.923 38.000 0.033 0.000 1.238 227 I HN 0.623 nan 8.210 nan 0.000 0.445 228 S N 2.824 118.542 115.700 0.029 0.000 2.807 228 S HA 0.173 4.643 4.470 -0.000 0.000 0.247 228 S C 0.723 175.339 174.600 0.026 0.000 1.078 228 S CA -0.123 58.095 58.200 0.030 0.000 0.867 228 S CB 0.284 63.499 63.200 0.025 0.000 0.797 228 S HN 0.573 nan 8.310 nan 0.000 0.515 229 N N 2.906 121.619 118.700 0.021 0.000 2.399 229 N HA 0.186 4.926 4.740 -0.000 0.000 0.259 229 N C 0.683 176.204 175.510 0.019 0.000 1.160 229 N CA 0.021 53.082 53.050 0.018 0.000 0.946 229 N CB 0.849 39.345 38.487 0.014 0.000 1.156 229 N HN 0.334 nan 8.380 nan 0.000 0.489 230 I N 3.246 123.828 120.570 0.021 0.000 2.399 230 I HA -0.299 3.871 4.170 -0.000 0.000 0.254 230 I C 1.906 178.033 176.117 0.016 0.000 1.146 230 I CA 1.191 62.504 61.300 0.022 0.000 1.412 230 I CB 0.205 38.218 38.000 0.022 0.000 1.076 230 I HN 0.430 nan 8.210 nan 0.000 0.432 231 R N 0.826 121.333 120.500 0.012 0.000 2.119 231 R HA -0.244 4.096 4.340 -0.000 0.000 0.246 231 R C 1.948 178.252 176.300 0.007 0.000 1.146 231 R CA 2.177 58.282 56.100 0.008 0.000 0.962 231 R CB -0.487 29.817 30.300 0.007 0.000 0.863 231 R HN 0.574 nan 8.270 nan 0.000 0.442 232 E N -0.183 120.022 120.200 0.008 0.000 2.265 232 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 232 E C 1.917 178.519 176.600 0.005 0.000 0.996 232 E CA 0.858 57.262 56.400 0.006 0.000 0.832 232 E CB 0.023 29.729 29.700 0.009 0.000 0.756 232 E HN 0.271 nan 8.360 nan 0.000 0.491 233 M N 0.213 119.818 119.600 0.008 0.000 2.115 233 M HA -0.053 4.426 4.480 -0.000 0.000 0.261 233 M C 2.405 178.706 176.300 0.001 0.000 1.079 233 M CA 1.100 56.404 55.300 0.008 0.000 1.143 233 M CB -1.041 31.570 32.600 0.018 0.000 1.332 233 M HN 0.141 nan 8.290 nan 0.000 0.421 234 L N 0.599 121.824 121.223 0.003 0.000 2.143 234 L HA -0.283 4.057 4.340 -0.000 0.000 0.231 234 L C -0.442 176.422 176.870 -0.010 0.000 1.106 234 L CA 2.065 56.904 54.840 -0.001 0.000 0.827 234 L CB -2.854 39.206 42.059 0.000 0.000 0.915 234 L HN 0.219 nan 8.230 nan 0.000 0.448 235 P HA -0.110 nan 4.420 nan 0.000 0.226 235 P C 1.380 178.661 177.300 -0.032 0.000 1.146 235 P CA 1.371 64.460 63.100 -0.019 0.000 0.773 235 P CB 0.204 31.895 31.700 -0.016 0.000 0.772 236 V N -1.337 118.558 119.914 -0.033 0.000 3.371 236 V HA 0.071 4.191 4.120 -0.000 0.000 0.246 236 V C 2.445 178.509 176.094 -0.051 0.000 1.303 236 V CA 0.238 62.505 62.300 -0.054 0.000 1.156 236 V CB -0.502 31.292 31.823 -0.049 0.000 0.929 236 V HN -0.043 nan 8.190 nan 0.000 0.459 237 L N 0.270 121.478 121.223 -0.023 0.000 2.456 237 L HA -0.067 4.273 4.340 -0.000 0.000 0.224 237 L C 2.228 179.092 176.870 -0.010 0.000 1.148 237 L CA 1.461 56.296 54.840 -0.008 0.000 0.825 237 L CB -0.179 41.886 42.059 0.009 0.000 0.937 237 L HN 0.466 nan 8.230 nan 0.000 0.450 238 E N -0.461 119.727 120.200 -0.020 0.000 2.251 238 E HA 0.038 4.388 4.350 -0.000 0.000 0.194 238 E C 2.131 178.711 176.600 -0.032 0.000 0.964 238 E CA 0.622 57.012 56.400 -0.017 0.000 0.868 238 E CB 0.142 29.834 29.700 -0.013 0.000 0.828 238 E HN 0.388 nan 8.360 nan 0.000 0.481 239 A N 0.964 123.750 122.820 -0.057 0.000 2.168 239 A HA -0.021 4.299 4.320 -0.000 0.000 0.215 239 A C 1.985 179.495 177.584 -0.124 0.000 1.152 239 A CA 0.656 52.641 52.037 -0.086 0.000 0.716 239 A CB 0.090 19.024 19.000 -0.110 0.000 0.794 239 A HN 0.078 nan 8.150 nan 0.000 0.465 240 V N -1.254 118.598 119.914 -0.102 0.000 3.621 240 V HA 0.144 4.264 4.120 -0.000 0.000 0.285 240 V C 2.306 178.411 176.094 0.017 0.000 1.346 240 V CA 0.831 63.081 62.300 -0.084 0.000 1.104 240 V CB 0.036 31.813 31.823 -0.077 0.000 0.913 240 V HN 0.532 nan 8.190 nan 0.000 0.432 241 A N -0.299 122.526 122.820 0.009 0.000 1.975 241 A HA 0.089 4.409 4.320 -0.000 0.000 0.215 241 A C 1.432 179.037 177.584 0.036 0.000 1.170 241 A CA 0.691 52.745 52.037 0.028 0.000 0.656 241 A CB 0.030 19.040 19.000 0.017 0.000 0.821 241 A HN 0.451 nan 8.150 nan 0.000 0.449 242 K N -2.111 118.304 120.400 0.025 0.000 2.118 242 K HA 0.434 4.754 4.320 -0.000 0.000 0.240 242 K C 1.058 177.701 176.600 0.072 0.000 1.035 242 K CA 0.308 56.616 56.287 0.034 0.000 0.899 242 K CB 0.351 32.860 32.500 0.015 0.000 1.085 242 K HN 0.598 nan 8.250 nan 0.000 0.498 243 A N 0.343 123.211 122.820 0.081 0.000 4.029 243 A HA -0.239 4.081 4.320 -0.000 0.000 0.268 243 A C 1.206 178.865 177.584 0.124 0.000 0.943 243 A CA 1.794 53.907 52.037 0.126 0.000 1.137 243 A CB -2.440 16.697 19.000 0.228 0.000 1.074 243 A HN 1.392 nan 8.150 nan 0.000 0.854 244 G N -1.229 107.634 108.800 0.104 0.000 2.321 244 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.287 244 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.287 244 G C -0.012 174.944 174.900 0.094 0.000 1.018 244 G CA 1.527 46.678 45.100 0.085 0.000 0.855 244 G HN 1.169 nan 8.290 nan 0.000 0.507 245 K N 0.736 121.230 120.400 0.157 0.000 2.164 245 K HA 0.518 4.838 4.320 -0.000 0.000 0.258 245 K C -2.001 174.703 176.600 0.173 0.000 0.951 245 K CA -1.990 54.373 56.287 0.125 0.000 0.844 245 K CB 2.323 34.848 32.500 0.042 0.000 1.099 245 K HN 0.068 nan 8.250 nan 0.000 0.435 246 P HA 0.118 nan 4.420 nan 0.000 0.274 246 P C -1.123 176.270 177.300 0.155 0.000 1.260 246 P CA -0.522 62.644 63.100 0.111 0.000 0.793 246 P CB 0.641 32.381 31.700 0.068 0.000 1.048 247 L N 0.297 121.595 121.223 0.125 0.000 2.401 247 L HA 0.559 4.899 4.340 -0.000 0.000 0.266 247 L C -1.399 175.510 176.870 0.066 0.000 0.991 247 L CA -1.035 53.884 54.840 0.131 0.000 0.818 247 L CB 1.677 43.808 42.059 0.119 0.000 1.321 247 L HN 0.176 nan 8.230 nan 0.000 0.413 248 L N 5.159 126.422 121.223 0.066 0.000 2.329 248 L HA 0.666 5.006 4.340 -0.000 0.000 0.279 248 L C -1.214 175.672 176.870 0.028 0.000 1.014 248 L CA -0.225 54.628 54.840 0.022 0.000 0.814 248 L CB 1.439 43.518 42.059 0.033 0.000 1.257 248 L HN 0.430 nan 8.230 nan 0.000 0.424 249 I N 6.788 127.356 120.570 -0.004 0.000 2.362 249 I HA 0.382 4.552 4.170 -0.000 0.000 0.289 249 I C -0.406 175.725 176.117 0.023 0.000 0.994 249 I CA -0.285 61.022 61.300 0.012 0.000 1.158 249 I CB 1.235 39.238 38.000 0.004 0.000 1.315 249 I HN 0.534 nan 8.210 nan 0.000 0.451 250 I N 5.716 126.306 120.570 0.032 0.000 2.439 250 I HA 0.683 4.853 4.170 -0.000 0.000 0.283 250 I C -0.031 176.090 176.117 0.007 0.000 1.023 250 I CA -0.243 61.074 61.300 0.027 0.000 1.100 250 I CB 1.790 39.807 38.000 0.028 0.000 1.238 250 I HN 0.709 nan 8.210 nan 0.000 0.445 251 A N 4.337 127.162 122.820 0.008 0.000 2.588 251 A HA 0.423 4.743 4.320 -0.000 0.000 0.290 251 A C 0.611 178.201 177.584 0.008 0.000 1.136 251 A CA -0.540 51.500 52.037 0.006 0.000 0.681 251 A CB 1.393 20.403 19.000 0.016 0.000 1.282 251 A HN 0.712 nan 8.150 nan 0.000 0.421 252 E N -0.582 119.624 120.200 0.011 0.000 2.147 252 E HA -0.150 4.200 4.350 -0.000 0.000 0.199 252 E C 0.115 176.733 176.600 0.030 0.000 1.005 252 E CA 2.113 58.525 56.400 0.019 0.000 0.810 252 E CB 0.073 29.787 29.700 0.022 0.000 0.736 252 E HN 0.637 nan 8.360 nan 0.000 0.460 253 D N -3.094 117.326 120.400 0.033 0.000 2.940 253 D HA 0.113 4.753 4.640 -0.000 0.000 0.304 253 D C -2.079 174.250 176.300 0.048 0.000 1.255 253 D CA -0.378 53.649 54.000 0.044 0.000 0.734 253 D CB 1.029 41.855 40.800 0.043 0.000 1.261 253 D HN -0.136 nan 8.370 nan 0.000 0.436 254 V N 1.533 121.484 119.914 0.061 0.000 2.577 254 V HA 0.422 4.542 4.120 -0.000 0.000 0.294 254 V C -0.552 175.584 176.094 0.071 0.000 1.052 254 V CA -0.683 61.657 62.300 0.067 0.000 0.891 254 V CB 1.588 33.462 31.823 0.085 0.000 1.017 254 V HN 0.442 nan 8.190 nan 0.000 0.436 255 E N 2.403 122.637 120.200 0.057 0.000 2.250 255 E HA 0.463 4.813 4.350 -0.000 0.000 0.269 255 E C 1.422 178.052 176.600 0.050 0.000 1.018 255 E CA -0.132 56.299 56.400 0.052 0.000 0.873 255 E CB 1.634 31.357 29.700 0.040 0.000 1.134 255 E HN 0.774 nan 8.360 nan 0.000 0.403 256 G N 1.664 110.491 108.800 0.046 0.000 3.437 256 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.238 256 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.238 256 G C 1.219 176.140 174.900 0.035 0.000 1.054 256 G CA 1.664 46.788 45.100 0.039 0.000 0.704 256 G HN 0.543 nan 8.290 nan 0.000 0.713 257 E N 0.712 120.932 120.200 0.033 0.000 2.002 257 E HA 0.135 4.485 4.350 -0.000 0.000 0.196 257 E C 2.940 179.562 176.600 0.035 0.000 0.974 257 E CA 0.948 57.365 56.400 0.029 0.000 0.853 257 E CB -0.855 28.860 29.700 0.025 0.000 0.808 257 E HN 0.330 nan 8.360 nan 0.000 0.492 258 A N 1.014 123.858 122.820 0.041 0.000 2.234 258 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 258 A C 2.072 179.700 177.584 0.072 0.000 1.167 258 A CA 1.153 53.219 52.037 0.050 0.000 0.698 258 A CB -0.468 18.561 19.000 0.048 0.000 0.779 258 A HN 0.327 nan 8.150 nan 0.000 0.475 259 L N -0.613 120.656 121.223 0.076 0.000 2.056 259 L HA 0.211 4.551 4.340 -0.000 0.000 0.202 259 L C 2.507 179.424 176.870 0.077 0.000 1.086 259 L CA 2.107 57.012 54.840 0.108 0.000 0.758 259 L CB -1.003 41.119 42.059 0.105 0.000 0.912 259 L HN 0.223 nan 8.230 nan 0.000 0.446 260 A N -1.666 121.180 122.820 0.043 0.000 2.234 260 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 260 A C 2.049 179.630 177.584 -0.005 0.000 1.167 260 A CA 1.867 53.909 52.037 0.008 0.000 0.698 260 A CB -1.061 17.942 19.000 0.005 0.000 0.779 260 A HN 0.598 nan 8.150 nan 0.000 0.475 261 T N -0.103 114.463 114.554 0.020 0.000 2.814 261 T HA 0.056 4.406 4.350 -0.000 0.000 0.254 261 T C 1.755 176.470 174.700 0.026 0.000 1.037 261 T CA 1.160 63.271 62.100 0.018 0.000 1.143 261 T CB -0.239 68.647 68.868 0.030 0.000 0.866 261 T HN 0.410 nan 8.240 nan 0.000 0.431 262 L N 1.123 122.388 121.223 0.069 0.000 2.156 262 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 262 L C 2.522 179.426 176.870 0.057 0.000 1.095 262 L CA 0.593 55.501 54.840 0.114 0.000 0.770 262 L CB -0.715 41.478 42.059 0.224 0.000 0.914 262 L HN 0.114 nan 8.230 nan 0.000 0.439 263 V N -0.448 119.441 119.914 -0.042 0.000 2.688 263 V HA -0.206 3.914 4.120 -0.000 0.000 0.256 263 V C 2.127 178.095 176.094 -0.210 0.000 1.084 263 V CA 1.288 63.438 62.300 -0.249 0.000 1.103 263 V CB -0.159 31.536 31.823 -0.214 0.000 0.688 263 V HN 0.269 nan 8.190 nan 0.000 0.480 264 V N -1.035 118.808 119.914 -0.118 0.000 3.048 264 V HA -0.007 4.113 4.120 -0.000 0.000 0.241 264 V C 1.905 177.962 176.094 -0.062 0.000 1.129 264 V CA 1.062 63.293 62.300 -0.114 0.000 1.128 264 V CB -0.451 31.316 31.823 -0.093 0.000 0.849 264 V HN 0.496 nan 8.190 nan 0.000 0.475 265 N N 0.989 119.676 118.700 -0.021 0.000 2.084 265 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 265 N C 1.786 177.306 175.510 0.016 0.000 1.030 265 N CA 1.900 54.952 53.050 0.004 0.000 0.849 265 N CB -0.036 38.466 38.487 0.026 0.000 1.012 265 N HN 0.586 nan 8.380 nan 0.000 0.423 266 T N -1.638 112.940 114.554 0.040 0.000 3.194 266 T HA 0.064 4.414 4.350 -0.000 0.000 0.251 266 T C 1.409 176.125 174.700 0.026 0.000 1.132 266 T CA 0.145 62.282 62.100 0.062 0.000 1.028 266 T CB 0.100 69.053 68.868 0.141 0.000 0.976 266 T HN 0.033 nan 8.240 nan 0.000 0.535 267 M N 0.645 120.231 119.600 -0.024 0.000 2.466 267 M HA 0.390 4.870 4.480 -0.000 0.000 0.265 267 M C 2.151 178.427 176.300 -0.040 0.000 1.122 267 M CA 1.039 56.303 55.300 -0.059 0.000 1.157 267 M CB 0.111 32.631 32.600 -0.132 0.000 1.352 267 M HN 0.061 nan 8.290 nan 0.000 0.464 268 R N -0.558 119.924 120.500 -0.029 0.000 2.297 268 R HA 0.298 4.638 4.340 -0.000 0.000 0.197 268 R C 0.874 177.172 176.300 -0.004 0.000 0.943 268 R CA 0.707 56.795 56.100 -0.020 0.000 1.038 268 R CB 0.100 30.388 30.300 -0.020 0.000 0.957 268 R HN 0.596 nan 8.270 nan 0.000 0.484 269 G N 1.139 109.943 108.800 0.007 0.000 2.148 269 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.203 269 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.203 269 G C 0.115 175.029 174.900 0.023 0.000 0.993 269 G CA -0.533 44.578 45.100 0.018 0.000 0.661 269 G HN 0.208 nan 8.290 nan 0.000 0.518 270 I N 1.911 122.494 120.570 0.022 0.000 2.256 270 I HA 0.385 4.555 4.170 -0.000 0.000 0.294 270 I C 0.828 176.969 176.117 0.039 0.000 1.127 270 I CA -0.789 60.526 61.300 0.025 0.000 1.247 270 I CB 0.650 38.660 38.000 0.017 0.000 1.460 270 I HN 0.096 nan 8.210 nan 0.000 0.511 271 V N 4.712 124.653 119.914 0.046 0.000 3.814 271 V HA -0.243 3.877 4.120 -0.000 0.000 0.480 271 V C 0.192 176.332 176.094 0.076 0.000 0.682 271 V CA 0.445 62.781 62.300 0.060 0.000 1.959 271 V CB -1.514 30.343 31.823 0.056 0.000 2.372 271 V HN 0.759 nan 8.190 nan 0.000 0.501 272 K N 3.970 124.419 120.400 0.083 0.000 2.368 272 K HA 0.695 5.015 4.320 -0.000 0.000 0.282 272 K C -0.170 176.499 176.600 0.115 0.000 1.035 272 K CA -0.126 56.224 56.287 0.106 0.000 0.973 272 K CB 1.347 33.903 32.500 0.095 0.000 0.957 272 K HN 0.528 nan 8.250 nan 0.000 0.474 273 V N 0.627 120.634 119.914 0.154 0.000 3.159 273 V HA 0.867 4.987 4.120 -0.000 0.000 0.308 273 V C -1.157 174.963 176.094 0.042 0.000 1.190 273 V CA -1.057 61.307 62.300 0.106 0.000 1.037 273 V CB 2.245 34.134 31.823 0.110 0.000 1.060 273 V HN 0.824 nan 8.190 nan 0.000 0.437 274 A N 1.305 123.994 122.820 -0.217 0.000 2.594 274 A HA 1.041 5.361 4.320 -0.000 0.000 0.295 274 A C -0.910 176.375 177.584 -0.497 0.000 1.071 274 A CA -0.046 51.507 52.037 -0.807 0.000 0.685 274 A CB 1.961 20.604 19.000 -0.595 0.000 1.285 274 A HN 1.964 nan 8.150 nan 0.000 0.405 275 A N 0.131 122.595 122.820 -0.593 0.000 2.498 275 A HA 0.936 5.256 4.320 -0.000 0.000 0.298 275 A C -0.667 176.867 177.584 -0.084 0.000 1.075 275 A CA -0.092 51.829 52.037 -0.193 0.000 0.714 275 A CB 1.567 20.529 19.000 -0.063 0.000 1.299 275 A HN 2.371 nan 8.150 nan 0.000 0.407 276 V N -1.469 118.455 119.914 0.017 0.000 3.048 276 V HA 0.554 4.674 4.120 -0.000 0.000 0.303 276 V C -0.623 175.525 176.094 0.090 0.000 1.214 276 V CA -1.342 61.008 62.300 0.082 0.000 0.984 276 V CB 1.326 33.227 31.823 0.130 0.000 1.054 276 V HN 0.912 nan 8.190 nan 0.000 0.430 277 K N 2.182 122.636 120.400 0.089 0.000 2.469 277 K HA 0.511 4.831 4.320 -0.000 0.000 0.274 277 K C 0.796 177.410 176.600 0.024 0.000 0.983 277 K CA 0.515 56.838 56.287 0.059 0.000 0.974 277 K CB 0.782 33.319 32.500 0.062 0.000 0.913 277 K HN 1.149 nan 8.250 nan 0.000 0.493 278 A N 4.280 127.084 122.820 -0.027 0.000 2.364 278 A HA 0.173 4.493 4.320 -0.000 0.000 0.258 278 A C -2.021 175.459 177.584 -0.173 0.000 1.131 278 A CA -0.729 51.229 52.037 -0.131 0.000 0.800 278 A CB -0.503 18.440 19.000 -0.094 0.000 1.086 278 A HN 0.546 nan 8.150 nan 0.000 0.508 279 P HA 0.406 nan 4.420 nan 0.000 0.284 279 P C 0.687 177.950 177.300 -0.061 0.000 1.253 279 P CA 1.107 64.066 63.100 -0.236 0.000 0.800 279 P CB 0.872 32.331 31.700 -0.401 0.000 0.961 280 G N 2.819 111.644 108.800 0.042 0.000 2.581 280 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.291 280 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.291 280 G C -0.519 174.540 174.900 0.266 0.000 1.277 280 G CA 0.720 45.914 45.100 0.155 0.000 0.959 280 G HN 0.771 nan 8.290 nan 0.000 0.554 281 F N -3.402 116.547 119.950 -0.002 0.000 2.831 281 F HA 0.730 5.257 4.527 -0.000 0.000 0.318 281 F C 0.920 176.726 175.800 0.010 0.000 1.174 281 F CA 0.385 58.387 58.000 0.003 0.000 0.918 281 F CB 0.715 39.723 39.000 0.013 0.000 1.364 281 F HN 2.454 nan 8.300 nan 0.000 0.475 282 G N 0.987 109.793 108.800 0.010 0.000 2.527 282 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.268 282 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.268 282 G C 0.147 174.988 174.900 -0.099 0.000 1.175 282 G CA 0.494 45.532 45.100 -0.103 0.000 0.962 282 G HN 0.912 nan 8.290 nan 0.000 0.560 283 D N 0.952 121.277 120.400 -0.125 0.000 2.249 283 D HA -0.013 4.627 4.640 -0.000 0.000 0.205 283 D C 2.535 178.776 176.300 -0.099 0.000 0.962 283 D CA 1.181 55.131 54.000 -0.083 0.000 0.860 283 D CB -0.016 40.747 40.800 -0.061 0.000 0.955 283 D HN 0.630 nan 8.370 nan 0.000 0.505 284 R N 1.131 121.541 120.500 -0.150 0.000 2.276 284 R HA 0.066 4.406 4.340 -0.000 0.000 0.203 284 R C 2.088 178.317 176.300 -0.119 0.000 1.017 284 R CA 0.351 56.370 56.100 -0.136 0.000 1.010 284 R CB -0.234 29.965 30.300 -0.168 0.000 0.900 284 R HN 0.005 nan 8.270 nan 0.000 0.469 285 R N 2.116 122.547 120.500 -0.115 0.000 2.066 285 R HA -0.060 4.280 4.340 -0.000 0.000 0.232 285 R C 1.236 177.495 176.300 -0.069 0.000 1.131 285 R CA 1.523 57.577 56.100 -0.078 0.000 0.955 285 R CB -0.046 30.235 30.300 -0.032 0.000 0.851 285 R HN 0.223 nan 8.270 nan 0.000 0.432 286 K N -0.093 120.273 120.400 -0.056 0.000 2.442 286 K HA -0.024 4.296 4.320 -0.000 0.000 0.198 286 K C 1.704 178.275 176.600 -0.048 0.000 1.042 286 K CA 0.924 57.185 56.287 -0.044 0.000 0.958 286 K CB 0.169 32.650 32.500 -0.032 0.000 0.766 286 K HN 0.271 nan 8.250 nan 0.000 0.474 287 A N 0.916 123.700 122.820 -0.059 0.000 1.909 287 A HA 0.061 4.381 4.320 -0.000 0.000 0.209 287 A C 2.045 179.593 177.584 -0.061 0.000 1.247 287 A CA 0.259 52.263 52.037 -0.054 0.000 0.660 287 A CB -0.213 18.754 19.000 -0.056 0.000 0.910 287 A HN 0.048 nan 8.150 nan 0.000 0.465 288 M N -0.361 119.193 119.600 -0.077 0.000 2.082 288 M HA -0.182 4.298 4.480 -0.000 0.000 0.258 288 M C 2.250 178.490 176.300 -0.099 0.000 1.069 288 M CA 1.849 57.096 55.300 -0.088 0.000 1.102 288 M CB -0.494 32.039 32.600 -0.112 0.000 1.336 288 M HN 0.533 nan 8.290 nan 0.000 0.404 289 L N 0.192 121.350 121.223 -0.109 0.000 2.127 289 L HA -0.279 4.061 4.340 -0.000 0.000 0.211 289 L C 2.483 179.316 176.870 -0.063 0.000 1.089 289 L CA 1.550 56.327 54.840 -0.106 0.000 0.757 289 L CB -0.257 41.748 42.059 -0.090 0.000 0.899 289 L HN 0.316 nan 8.230 nan 0.000 0.434 290 Q N 0.028 119.798 119.800 -0.049 0.000 2.167 290 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 290 Q C 1.662 177.649 176.000 -0.023 0.000 0.970 290 Q CA 1.969 57.754 55.803 -0.030 0.000 0.855 290 Q CB -0.166 28.555 28.738 -0.027 0.000 0.911 290 Q HN 0.541 nan 8.270 nan 0.000 0.438 291 D N 0.177 120.560 120.400 -0.028 0.000 2.084 291 D HA -0.156 4.484 4.640 -0.000 0.000 0.194 291 D C 1.891 178.190 176.300 -0.003 0.000 0.990 291 D CA 1.399 55.390 54.000 -0.015 0.000 0.826 291 D CB -0.278 40.512 40.800 -0.017 0.000 0.971 291 D HN 0.357 nan 8.370 nan 0.000 0.453 292 I N 1.353 121.918 120.570 -0.008 0.000 2.300 292 I HA -0.320 3.850 4.170 -0.000 0.000 0.252 292 I C 2.440 178.569 176.117 0.021 0.000 1.119 292 I CA 1.065 62.376 61.300 0.017 0.000 1.384 292 I CB -0.209 37.791 38.000 0.001 0.000 1.062 292 I HN -0.057 nan 8.210 nan 0.000 0.426 293 A N 0.437 123.261 122.820 0.007 0.000 1.855 293 A HA -0.183 4.137 4.320 -0.000 0.000 0.215 293 A C 2.378 179.971 177.584 0.016 0.000 1.191 293 A CA 2.336 54.381 52.037 0.013 0.000 0.613 293 A CB -1.100 17.902 19.000 0.004 0.000 0.829 293 A HN 0.364 nan 8.150 nan 0.000 0.442 294 T N 0.737 115.296 114.554 0.009 0.000 2.720 294 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 294 T C 1.832 176.540 174.700 0.014 0.000 1.037 294 T CA 1.296 63.401 62.100 0.009 0.000 1.144 294 T CB -0.360 68.510 68.868 0.004 0.000 0.864 294 T HN 0.295 nan 8.240 nan 0.000 0.444 295 L N 2.144 123.377 121.223 0.016 0.000 2.127 295 L HA -0.059 4.281 4.340 -0.000 0.000 0.211 295 L C 1.858 178.742 176.870 0.024 0.000 1.089 295 L CA 2.186 57.038 54.840 0.021 0.000 0.757 295 L CB -1.241 40.835 42.059 0.029 0.000 0.899 295 L HN 0.461 nan 8.230 nan 0.000 0.434 296 T N -3.760 110.812 114.554 0.029 0.000 3.248 296 T HA 0.365 4.715 4.350 -0.000 0.000 0.271 296 T C 1.034 175.756 174.700 0.036 0.000 1.005 296 T CA 0.128 62.247 62.100 0.033 0.000 0.902 296 T CB -0.325 68.570 68.868 0.044 0.000 1.102 296 T HN 0.522 nan 8.240 nan 0.000 0.548 297 G N 0.202 109.020 108.800 0.030 0.000 2.386 297 G HA2 0.138 4.098 3.960 -0.000 0.000 0.295 297 G HA3 0.138 4.098 3.960 -0.000 0.000 0.295 297 G C 0.380 175.306 174.900 0.042 0.000 0.979 297 G CA 0.005 45.125 45.100 0.032 0.000 1.193 297 G HN 1.138 nan 8.290 nan 0.000 0.508 298 G N -1.542 107.280 108.800 0.037 0.000 3.135 298 G HA2 0.923 4.883 3.960 -0.000 0.000 0.278 298 G HA3 0.923 4.883 3.960 -0.000 0.000 0.278 298 G C -0.666 174.248 174.900 0.023 0.000 1.302 298 G CA 0.301 45.424 45.100 0.038 0.000 0.880 298 G HN 0.837 nan 8.290 nan 0.000 0.574 299 T N -0.439 114.126 114.554 0.019 0.000 2.916 299 T HA 0.521 4.871 4.350 -0.000 0.000 0.305 299 T C -0.618 174.085 174.700 0.005 0.000 1.119 299 T CA -0.366 61.740 62.100 0.009 0.000 1.008 299 T CB 1.963 70.835 68.868 0.006 0.000 1.129 299 T HN 0.424 nan 8.240 nan 0.000 0.480 300 V N 2.866 122.780 119.914 0.000 0.000 2.583 300 V HA 0.387 4.507 4.120 -0.000 0.000 0.287 300 V C 0.017 176.109 176.094 -0.003 0.000 1.051 300 V CA -0.438 61.859 62.300 -0.004 0.000 1.010 300 V CB 0.690 32.508 31.823 -0.010 0.000 0.988 300 V HN 0.725 nan 8.190 nan 0.000 0.478 301 I N 4.989 125.557 120.570 -0.003 0.000 2.412 301 I HA 0.326 4.496 4.170 -0.000 0.000 0.279 301 I C 0.290 176.405 176.117 -0.002 0.000 1.063 301 I CA 0.059 61.358 61.300 -0.002 0.000 1.193 301 I CB 0.920 38.919 38.000 -0.001 0.000 1.370 301 I HN 0.724 nan 8.210 nan 0.000 0.479 302 S N 2.669 118.368 115.700 -0.003 0.000 2.621 302 S HA 0.453 4.923 4.470 -0.000 0.000 0.302 302 S C 0.459 175.058 174.600 -0.001 0.000 1.093 302 S CA -0.827 57.372 58.200 -0.002 0.000 1.017 302 S CB 2.155 65.353 63.200 -0.004 0.000 1.077 302 S HN 0.552 nan 8.310 nan 0.000 0.517 303 E N 0.367 120.568 120.200 0.001 0.000 2.442 303 E HA -0.019 4.331 4.350 -0.000 0.000 0.195 303 E C 1.061 177.662 176.600 0.001 0.000 1.030 303 E CA 0.328 56.729 56.400 0.002 0.000 0.869 303 E CB -0.026 29.676 29.700 0.004 0.000 0.857 303 E HN 0.749 nan 8.360 nan 0.000 0.505 304 E N 0.443 120.643 120.200 0.000 0.000 2.338 304 E HA -0.091 4.259 4.350 -0.000 0.000 0.197 304 E C 1.410 178.009 176.600 -0.001 0.000 1.007 304 E CA 0.682 57.082 56.400 -0.000 0.000 0.849 304 E CB 0.153 29.853 29.700 -0.001 0.000 0.774 304 E HN 0.342 nan 8.360 nan 0.000 0.506 305 I N -0.937 119.633 120.570 -0.001 0.000 4.154 305 I HA 0.192 4.361 4.170 -0.000 0.000 0.334 305 I C 0.874 176.991 176.117 -0.001 0.000 1.371 305 I CA 0.022 61.321 61.300 -0.002 0.000 1.110 305 I CB 1.009 39.008 38.000 -0.002 0.000 1.085 305 I HN 0.096 nan 8.210 nan 0.000 0.398 306 G N 2.166 110.966 108.800 -0.001 0.000 2.165 306 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.226 306 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.226 306 G C -0.015 174.884 174.900 -0.001 0.000 1.035 306 G CA -0.334 44.765 45.100 -0.000 0.000 0.744 306 G HN 0.239 nan 8.290 nan 0.000 0.501 307 M N 0.268 119.867 119.600 -0.001 0.000 2.300 307 M HA 0.525 5.005 4.480 -0.000 0.000 0.348 307 M C 0.209 176.508 176.300 -0.001 0.000 1.151 307 M CA -0.220 55.078 55.300 -0.002 0.000 1.046 307 M CB 1.482 34.080 32.600 -0.002 0.000 1.647 307 M HN 0.219 nan 8.290 nan 0.000 0.451 308 E N 2.039 122.237 120.200 -0.002 0.000 2.227 308 E HA 0.327 4.677 4.350 -0.000 0.000 0.268 308 E C 0.207 176.805 176.600 -0.003 0.000 0.907 308 E CA -0.556 55.843 56.400 -0.002 0.000 0.786 308 E CB 2.240 31.939 29.700 -0.002 0.000 1.191 308 E HN 0.683 nan 8.360 nan 0.000 0.411 309 L N 1.631 122.853 121.223 -0.002 0.000 2.456 309 L HA -0.146 4.194 4.340 -0.000 0.000 0.224 309 L C 1.435 178.301 176.870 -0.008 0.000 1.148 309 L CA 0.907 55.745 54.840 -0.004 0.000 0.825 309 L CB -0.202 41.857 42.059 0.000 0.000 0.937 309 L HN 0.522 nan 8.230 nan 0.000 0.450 310 E N 0.356 120.552 120.200 -0.007 0.000 2.158 310 E HA -0.059 4.291 4.350 -0.000 0.000 0.191 310 E C 0.637 177.230 176.600 -0.012 0.000 0.982 310 E CA 0.811 57.206 56.400 -0.009 0.000 0.823 310 E CB 0.123 29.820 29.700 -0.006 0.000 0.766 310 E HN 0.261 nan 8.360 nan 0.000 0.468 311 K N 0.718 121.112 120.400 -0.011 0.000 2.765 311 K HA 0.526 4.846 4.320 -0.000 0.000 0.246 311 K C -0.930 175.661 176.600 -0.015 0.000 1.254 311 K CA -0.238 56.041 56.287 -0.012 0.000 1.219 311 K CB 0.971 33.466 32.500 -0.008 0.000 1.747 311 K HN -0.052 nan 8.250 nan 0.000 0.372 312 A N 1.121 123.928 122.820 -0.022 0.000 2.442 312 A HA 0.357 4.677 4.320 -0.000 0.000 0.284 312 A C 0.212 177.770 177.584 -0.043 0.000 1.058 312 A CA -0.759 51.261 52.037 -0.028 0.000 0.738 312 A CB 0.745 19.730 19.000 -0.025 0.000 1.242 312 A HN 0.378 nan 8.150 nan 0.000 0.421 313 T N 0.056 114.583 114.554 -0.046 0.000 2.994 313 T HA 0.483 4.833 4.350 -0.000 0.000 0.322 313 T C 1.076 175.713 174.700 -0.105 0.000 1.199 313 T CA -0.175 61.886 62.100 -0.065 0.000 0.945 313 T CB 0.039 68.879 68.868 -0.046 0.000 1.754 313 T HN 0.382 nan 8.240 nan 0.000 0.571 314 L N -0.019 121.125 121.223 -0.133 0.000 2.567 314 L HA 0.266 4.606 4.340 -0.000 0.000 0.225 314 L C 2.758 179.571 176.870 -0.096 0.000 1.119 314 L CA 0.505 55.208 54.840 -0.228 0.000 0.871 314 L CB -0.364 41.509 42.059 -0.309 0.000 1.036 314 L HN 0.795 nan 8.230 nan 0.000 0.459 315 E N 0.521 120.699 120.200 -0.036 0.000 2.170 315 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 315 E C 0.949 177.559 176.600 0.018 0.000 0.981 315 E CA 0.740 57.146 56.400 0.011 0.000 0.830 315 E CB 0.334 30.038 29.700 0.007 0.000 0.775 315 E HN 0.395 nan 8.360 nan 0.000 0.470 316 D N 0.382 120.781 120.400 -0.003 0.000 2.363 316 D HA -0.004 4.636 4.640 -0.000 0.000 0.226 316 D C -0.201 176.109 176.300 0.017 0.000 1.020 316 D CA 0.309 54.312 54.000 0.005 0.000 0.892 316 D CB 0.239 41.035 40.800 -0.007 0.000 0.900 316 D HN 0.117 nan 8.370 nan 0.000 0.531 317 L N 0.353 121.592 121.223 0.027 0.000 2.357 317 L HA 0.394 4.734 4.340 -0.000 0.000 0.273 317 L C 1.292 178.244 176.870 0.136 0.000 1.080 317 L CA -0.514 54.367 54.840 0.069 0.000 0.803 317 L CB 1.401 43.485 42.059 0.040 0.000 1.174 317 L HN -0.174 nan 8.230 nan 0.000 0.443 318 G N 1.090 109.966 108.800 0.128 0.000 2.572 318 G HA2 0.479 4.439 3.960 -0.000 0.000 0.261 318 G HA3 0.479 4.439 3.960 -0.000 0.000 0.261 318 G C -0.988 174.001 174.900 0.148 0.000 1.197 318 G CA -0.169 44.998 45.100 0.113 0.000 0.870 318 G HN 0.601 nan 8.290 nan 0.000 0.548 319 Q N -0.967 118.877 119.800 0.075 0.000 2.378 319 Q HA 0.552 4.892 4.340 -0.000 0.000 0.262 319 Q C -1.112 174.870 176.000 -0.030 0.000 0.978 319 Q CA -0.722 55.080 55.803 -0.001 0.000 0.918 319 Q CB 1.813 30.530 28.738 -0.035 0.000 1.415 319 Q HN 0.969 nan 8.270 nan 0.000 0.409 320 A N 2.595 125.378 122.820 -0.060 0.000 2.524 320 A HA 0.598 4.918 4.320 -0.000 0.000 0.286 320 A C -0.794 176.748 177.584 -0.071 0.000 1.203 320 A CA -0.644 51.365 52.037 -0.047 0.000 0.736 320 A CB 1.591 20.578 19.000 -0.022 0.000 1.322 320 A HN 0.759 nan 8.150 nan 0.000 0.424 321 K N -0.526 119.843 120.400 -0.052 0.000 2.387 321 K HA 0.305 4.625 4.320 -0.000 0.000 0.198 321 K C -0.008 176.566 176.600 -0.045 0.000 1.022 321 K CA 0.351 56.605 56.287 -0.054 0.000 1.128 321 K CB 0.339 32.815 32.500 -0.041 0.000 0.853 321 K HN 0.515 nan 8.250 nan 0.000 0.523 322 R N -0.046 120.430 120.500 -0.040 0.000 4.584 322 R HA 0.038 4.378 4.340 -0.000 0.000 0.251 322 R C -2.189 174.093 176.300 -0.030 0.000 0.957 322 R CA -0.483 55.597 56.100 -0.032 0.000 1.195 322 R CB 0.758 31.042 30.300 -0.027 0.000 1.233 322 R HN -0.015 nan 8.270 nan 0.000 0.630 323 V N 0.216 120.113 119.914 -0.028 0.000 2.932 323 V HA 0.882 5.002 4.120 -0.000 0.000 0.307 323 V C -1.245 174.829 176.094 -0.033 0.000 1.147 323 V CA -0.719 61.559 62.300 -0.036 0.000 0.951 323 V CB 2.194 33.998 31.823 -0.031 0.000 1.031 323 V HN 0.425 nan 8.190 nan 0.000 0.426 324 V N 4.658 124.541 119.914 -0.052 0.000 2.864 324 V HA 0.698 4.818 4.120 -0.000 0.000 0.314 324 V C -0.351 175.705 176.094 -0.063 0.000 1.073 324 V CA -0.501 61.776 62.300 -0.038 0.000 0.956 324 V CB 1.969 33.771 31.823 -0.035 0.000 1.023 324 V HN 1.072 nan 8.190 nan 0.000 0.435 325 I N 0.251 120.807 120.570 -0.023 0.000 2.576 325 I HA 0.513 4.683 4.170 -0.000 0.000 0.279 325 I C -0.127 175.982 176.117 -0.013 0.000 1.114 325 I CA -0.583 60.693 61.300 -0.040 0.000 1.076 325 I CB 1.198 39.193 38.000 -0.008 0.000 1.212 325 I HN 0.433 nan 8.210 nan 0.000 0.472 326 N N 4.618 123.263 118.700 -0.093 0.000 2.255 326 N HA 0.018 4.758 4.740 -0.000 0.000 0.260 326 N C 1.041 176.282 175.510 -0.449 0.000 1.288 326 N CA -0.090 52.882 53.050 -0.129 0.000 0.894 326 N CB 0.764 39.189 38.487 -0.103 0.000 1.033 326 N HN 0.677 nan 8.380 nan 0.000 0.477 327 K N 0.356 120.478 120.400 -0.463 0.000 2.148 327 K HA -0.158 4.162 4.320 -0.000 0.000 0.204 327 K C -0.324 175.903 176.600 -0.622 0.000 1.050 327 K CA 1.812 57.627 56.287 -0.786 0.000 0.942 327 K CB 0.002 32.352 32.500 -0.250 0.000 0.724 327 K HN 0.613 nan 8.250 nan 0.000 0.446 328 D N -1.136 119.068 120.400 -0.327 0.000 2.822 328 D HA 0.102 4.742 4.640 -0.000 0.000 0.327 328 D C -1.141 175.085 176.300 -0.124 0.000 1.577 328 D CA -0.488 53.400 54.000 -0.187 0.000 0.785 328 D CB 0.854 41.592 40.800 -0.104 0.000 1.199 328 D HN -0.156 nan 8.370 nan 0.000 0.443 329 T N -0.129 114.329 114.554 -0.160 0.000 3.293 329 T HA 0.461 4.811 4.350 -0.000 0.000 0.320 329 T C -0.438 174.137 174.700 -0.209 0.000 0.995 329 T CA -0.457 61.556 62.100 -0.147 0.000 1.041 329 T CB 1.935 70.737 68.868 -0.110 0.000 1.058 329 T HN -0.049 nan 8.240 nan 0.000 0.453 330 T N 1.743 116.088 114.554 -0.348 0.000 2.884 330 T HA 0.822 5.172 4.350 -0.000 0.000 0.277 330 T C -0.060 174.326 174.700 -0.524 0.000 0.976 330 T CA -0.574 61.231 62.100 -0.493 0.000 0.956 330 T CB 1.487 69.844 68.868 -0.852 0.000 1.113 330 T HN 0.721 nan 8.240 nan 0.000 0.554 331 T N 0.883 115.169 114.554 -0.446 0.000 4.349 331 T HA 0.308 4.658 4.350 -0.000 0.000 0.404 331 T C -1.580 173.015 174.700 -0.174 0.000 0.993 331 T CA -0.597 61.327 62.100 -0.293 0.000 1.025 331 T CB -0.205 68.552 68.868 -0.185 0.000 1.219 331 T HN 0.455 nan 8.240 nan 0.000 0.451 332 I N 5.796 126.294 120.570 -0.121 0.000 2.353 332 I HA 0.513 4.683 4.170 -0.000 0.000 0.293 332 I C 0.018 176.117 176.117 -0.031 0.000 0.992 332 I CA -0.937 60.337 61.300 -0.044 0.000 1.268 332 I CB 1.404 39.416 38.000 0.020 0.000 1.387 332 I HN 0.565 nan 8.210 nan 0.000 0.478 333 I N 5.440 125.993 120.570 -0.028 0.000 2.389 333 I HA 0.217 4.387 4.170 -0.000 0.000 0.288 333 I C -0.652 175.454 176.117 -0.019 0.000 0.999 333 I CA -0.534 60.752 61.300 -0.024 0.000 1.129 333 I CB 1.424 39.407 38.000 -0.028 0.000 1.288 333 I HN 0.610 nan 8.210 nan 0.000 0.444 334 D N 4.650 125.042 120.400 -0.014 0.000 4.597 334 D HA -0.116 4.524 4.640 -0.000 0.000 0.234 334 D C -0.219 176.073 176.300 -0.012 0.000 1.052 334 D CA 1.197 55.189 54.000 -0.013 0.000 1.265 334 D CB 0.185 40.975 40.800 -0.017 0.000 0.738 334 D HN 0.816 nan 8.370 nan 0.000 0.372 335 G N 1.654 110.451 108.800 -0.005 0.000 2.454 335 G HA2 0.504 4.464 3.960 -0.000 0.000 0.329 335 G HA3 0.504 4.464 3.960 -0.000 0.000 0.329 335 G C 1.173 176.072 174.900 -0.002 0.000 1.177 335 G CA -0.419 44.680 45.100 -0.001 0.000 0.951 335 G HN 0.459 nan 8.290 nan 0.000 0.485 336 V N 1.219 121.132 119.914 -0.001 0.000 2.720 336 V HA -0.009 4.111 4.120 -0.000 0.000 0.256 336 V C 2.172 178.271 176.094 0.008 0.000 1.082 336 V CA 1.113 63.414 62.300 0.002 0.000 1.101 336 V CB -1.271 30.557 31.823 0.008 0.000 0.693 336 V HN 0.847 nan 8.190 nan 0.000 0.479 337 G N 1.217 110.024 108.800 0.011 0.000 2.187 337 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.239 337 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.239 337 G C -0.066 174.838 174.900 0.007 0.000 1.200 337 G CA -0.088 45.019 45.100 0.011 0.000 0.888 337 G HN 0.581 nan 8.290 nan 0.000 0.482 338 E N 1.854 122.058 120.200 0.007 0.000 2.331 338 E HA 0.065 4.415 4.350 -0.000 0.000 0.272 338 E C 0.672 177.275 176.600 0.004 0.000 1.036 338 E CA -0.231 56.172 56.400 0.005 0.000 0.864 338 E CB 1.336 31.039 29.700 0.006 0.000 1.035 338 E HN 0.654 nan 8.360 nan 0.000 0.408 339 E N 1.377 121.578 120.200 0.002 0.000 2.527 339 E HA -0.165 4.185 4.350 -0.000 0.000 0.204 339 E C 0.963 177.563 176.600 0.001 0.000 1.132 339 E CA 0.220 56.621 56.400 0.001 0.000 0.905 339 E CB -0.005 29.695 29.700 0.000 0.000 0.875 339 E HN 0.499 nan 8.360 nan 0.000 0.548 340 A N 1.193 124.014 122.820 0.002 0.000 1.884 340 A HA 0.234 4.554 4.320 -0.000 0.000 0.212 340 A C 2.290 179.874 177.584 0.001 0.000 1.265 340 A CA 0.735 52.773 52.037 0.001 0.000 0.626 340 A CB -0.419 18.583 19.000 0.002 0.000 0.943 340 A HN 0.279 nan 8.150 nan 0.000 0.466 341 A N -0.489 122.332 122.820 0.002 0.000 2.121 341 A HA 0.109 4.429 4.320 -0.000 0.000 0.218 341 A C 1.949 179.533 177.584 0.001 0.000 1.154 341 A CA 1.166 53.205 52.037 0.002 0.000 0.679 341 A CB -0.563 18.439 19.000 0.003 0.000 0.795 341 A HN 0.494 nan 8.150 nan 0.000 0.458 342 I N -1.648 118.923 120.570 0.002 0.000 2.429 342 I HA -0.133 4.037 4.170 -0.000 0.000 0.247 342 I C 2.537 178.654 176.117 -0.000 0.000 1.099 342 I CA 1.152 62.453 61.300 0.001 0.000 1.422 342 I CB -0.158 37.844 38.000 0.003 0.000 1.112 342 I HN 0.293 nan 8.210 nan 0.000 0.430 343 Q N 1.268 121.067 119.800 -0.001 0.000 2.364 343 Q HA -0.071 4.269 4.340 -0.000 0.000 0.207 343 Q C 1.865 177.864 176.000 -0.003 0.000 0.970 343 Q CA 1.565 57.367 55.803 -0.002 0.000 0.888 343 Q CB -0.301 28.436 28.738 -0.002 0.000 0.951 343 Q HN 0.472 nan 8.270 nan 0.000 0.469 344 G N -0.578 108.220 108.800 -0.002 0.000 2.459 344 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.213 344 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.213 344 G C 1.519 176.417 174.900 -0.005 0.000 1.155 344 G CA 0.395 45.493 45.100 -0.003 0.000 0.811 344 G HN 0.281 nan 8.290 nan 0.000 0.534 345 R N 0.515 121.012 120.500 -0.004 0.000 2.115 345 R HA 0.037 4.377 4.340 -0.000 0.000 0.230 345 R C 2.354 178.650 176.300 -0.008 0.000 1.111 345 R CA 1.208 57.304 56.100 -0.006 0.000 0.976 345 R CB -0.691 29.605 30.300 -0.005 0.000 0.870 345 R HN 0.207 nan 8.270 nan 0.000 0.445 346 V N 0.547 120.457 119.914 -0.007 0.000 2.427 346 V HA -0.130 3.990 4.120 -0.000 0.000 0.248 346 V C 2.318 178.406 176.094 -0.009 0.000 1.051 346 V CA 1.761 64.056 62.300 -0.008 0.000 1.048 346 V CB -0.833 30.987 31.823 -0.006 0.000 0.666 346 V HN 0.508 nan 8.190 nan 0.000 0.456 347 A N -0.706 122.110 122.820 -0.007 0.000 1.933 347 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 347 A C 2.189 179.768 177.584 -0.009 0.000 1.175 347 A CA 1.796 53.829 52.037 -0.007 0.000 0.628 347 A CB -0.422 18.574 19.000 -0.006 0.000 0.814 347 A HN 0.622 nan 8.150 nan 0.000 0.444 348 Q N -0.626 119.169 119.800 -0.009 0.000 2.119 348 Q HA -0.048 4.292 4.340 -0.000 0.000 0.201 348 Q C 1.918 177.910 176.000 -0.013 0.000 0.972 348 Q CA 1.459 57.256 55.803 -0.011 0.000 0.847 348 Q CB -0.243 28.489 28.738 -0.011 0.000 0.903 348 Q HN 0.755 nan 8.270 nan 0.000 0.433 349 I N -0.145 120.416 120.570 -0.015 0.000 2.617 349 I HA -0.154 4.016 4.170 -0.000 0.000 0.256 349 I C 2.368 178.474 176.117 -0.018 0.000 1.167 349 I CA 0.506 61.795 61.300 -0.019 0.000 1.469 349 I CB -0.106 37.882 38.000 -0.021 0.000 1.098 349 I HN 0.071 nan 8.210 nan 0.000 0.436 350 R N 0.891 121.383 120.500 -0.014 0.000 2.148 350 R HA -0.147 4.193 4.340 -0.000 0.000 0.227 350 R C 2.203 178.495 176.300 -0.012 0.000 1.103 350 R CA 1.299 57.391 56.100 -0.013 0.000 0.983 350 R CB 0.025 30.319 30.300 -0.010 0.000 0.874 350 R HN 0.402 nan 8.270 nan 0.000 0.451 351 Q N -0.847 118.945 119.800 -0.012 0.000 2.250 351 Q HA -0.051 4.289 4.340 -0.000 0.000 0.200 351 Q C 1.743 177.735 176.000 -0.012 0.000 0.941 351 Q CA 0.508 56.305 55.803 -0.010 0.000 0.872 351 Q CB 0.393 29.126 28.738 -0.009 0.000 0.965 351 Q HN 0.371 nan 8.270 nan 0.000 0.480 352 Q N 0.389 120.180 119.800 -0.015 0.000 2.248 352 Q HA -0.169 4.171 4.340 -0.000 0.000 0.208 352 Q C 1.904 177.893 176.000 -0.018 0.000 0.984 352 Q CA 1.118 56.910 55.803 -0.017 0.000 0.875 352 Q CB -0.153 28.571 28.738 -0.023 0.000 0.910 352 Q HN 0.508 nan 8.270 nan 0.000 0.433 353 I N 0.678 121.238 120.570 -0.018 0.000 2.617 353 I HA -0.171 3.999 4.170 -0.000 0.000 0.256 353 I C 1.993 178.103 176.117 -0.011 0.000 1.167 353 I CA 0.593 61.883 61.300 -0.017 0.000 1.469 353 I CB -0.182 37.808 38.000 -0.018 0.000 1.098 353 I HN 0.069 nan 8.210 nan 0.000 0.436 354 E N 1.493 121.687 120.200 -0.010 0.000 2.072 354 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 354 E C 1.168 177.765 176.600 -0.005 0.000 0.982 354 E CA 1.023 57.419 56.400 -0.007 0.000 0.803 354 E CB -0.292 29.405 29.700 -0.006 0.000 0.755 354 E HN 0.580 nan 8.360 nan 0.000 0.453 355 E N 1.142 121.338 120.200 -0.006 0.000 2.301 355 E HA 0.251 4.601 4.350 -0.000 0.000 0.195 355 E C -0.238 176.360 176.600 -0.003 0.000 1.171 355 E CA -0.307 56.090 56.400 -0.004 0.000 1.142 355 E CB 0.225 29.922 29.700 -0.005 0.000 1.218 355 E HN 0.077 nan 8.360 nan 0.000 0.448 356 A N 1.238 124.056 122.820 -0.003 0.000 2.409 356 A HA 0.150 4.470 4.320 -0.000 0.000 0.267 356 A C 1.256 178.843 177.584 0.005 0.000 1.127 356 A CA -0.208 51.829 52.037 -0.001 0.000 0.795 356 A CB 0.154 19.152 19.000 -0.003 0.000 1.061 356 A HN 0.280 nan 8.150 nan 0.000 0.502 357 T N -0.894 113.666 114.554 0.010 0.000 3.001 357 T HA 0.360 4.710 4.350 -0.000 0.000 0.251 357 T C 0.658 175.371 174.700 0.021 0.000 1.040 357 T CA 0.595 62.703 62.100 0.013 0.000 0.985 357 T CB -0.045 68.831 68.868 0.012 0.000 1.011 357 T HN 0.770 nan 8.240 nan 0.000 0.509 358 S N -0.770 114.948 115.700 0.030 0.000 2.618 358 S HA 0.417 4.887 4.470 -0.000 0.000 0.277 358 S C -0.388 174.244 174.600 0.053 0.000 1.138 358 S CA -0.581 57.647 58.200 0.046 0.000 0.844 358 S CB 1.702 64.942 63.200 0.067 0.000 1.127 358 S HN 0.061 nan 8.310 nan 0.000 0.474 359 D N 0.580 121.021 120.400 0.068 0.000 2.183 359 D HA -0.024 4.616 4.640 -0.000 0.000 0.203 359 D C 1.213 177.571 176.300 0.097 0.000 0.969 359 D CA 1.115 55.155 54.000 0.067 0.000 0.842 359 D CB -0.131 40.708 40.800 0.066 0.000 0.957 359 D HN 0.578 nan 8.370 nan 0.000 0.484 360 Y N 2.177 122.474 120.300 -0.004 0.000 2.092 360 Y HA -0.197 4.353 4.550 -0.000 0.000 0.282 360 Y C 1.685 177.577 175.900 -0.013 0.000 1.126 360 Y CA 1.769 59.865 58.100 -0.006 0.000 1.111 360 Y CB -0.479 37.977 38.460 -0.006 0.000 0.987 360 Y HN -0.164 nan 8.280 nan 0.000 0.489 361 D N -0.435 120.013 120.400 0.079 0.000 2.220 361 D HA -0.243 4.397 4.640 -0.000 0.000 0.198 361 D C 2.232 178.486 176.300 -0.078 0.000 1.001 361 D CA 1.732 55.719 54.000 -0.022 0.000 0.875 361 D CB -0.205 40.612 40.800 0.028 0.000 0.921 361 D HN 0.293 nan 8.370 nan 0.000 0.454 362 R N 0.387 120.857 120.500 -0.050 0.000 2.064 362 R HA -0.122 4.218 4.340 -0.000 0.000 0.228 362 R C 1.973 178.220 176.300 -0.087 0.000 1.144 362 R CA 1.118 57.188 56.100 -0.050 0.000 0.932 362 R CB 0.066 30.355 30.300 -0.020 0.000 0.833 362 R HN 0.062 nan 8.270 nan 0.000 0.429 363 E N 1.166 121.303 120.200 -0.106 0.000 2.045 363 E HA -0.253 4.097 4.350 -0.000 0.000 0.212 363 E C 1.664 178.166 176.600 -0.163 0.000 1.039 363 E CA 1.426 57.751 56.400 -0.126 0.000 0.860 363 E CB -0.342 29.269 29.700 -0.148 0.000 0.776 363 E HN 0.217 nan 8.360 nan 0.000 0.467 364 K N 0.605 120.840 120.400 -0.275 0.000 2.589 364 K HA -0.063 4.257 4.320 -0.000 0.000 0.195 364 K C 2.039 178.549 176.600 -0.150 0.000 1.040 364 K CA 0.482 56.622 56.287 -0.245 0.000 0.950 364 K CB -0.258 32.023 32.500 -0.366 0.000 0.781 364 K HN 0.270 nan 8.250 nan 0.000 0.486 365 L N -0.637 120.515 121.223 -0.118 0.000 2.425 365 L HA 0.023 4.363 4.340 -0.000 0.000 0.215 365 L C 2.058 178.894 176.870 -0.057 0.000 1.065 365 L CA 0.252 55.046 54.840 -0.078 0.000 0.842 365 L CB -0.076 41.944 42.059 -0.065 0.000 1.033 365 L HN 0.098 nan 8.230 nan 0.000 0.474 366 Q N 0.111 119.877 119.800 -0.057 0.000 2.297 366 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 366 Q C 1.681 177.659 176.000 -0.036 0.000 0.962 366 Q CA 0.996 56.775 55.803 -0.040 0.000 0.879 366 Q CB 0.207 28.924 28.738 -0.035 0.000 0.947 366 Q HN 0.501 nan 8.270 nan 0.000 0.462 367 E N 0.495 120.666 120.200 -0.047 0.000 2.051 367 E HA -0.073 4.277 4.350 -0.000 0.000 0.189 367 E C 2.016 178.600 176.600 -0.027 0.000 0.979 367 E CA 0.288 56.667 56.400 -0.036 0.000 0.803 367 E CB 0.114 29.786 29.700 -0.046 0.000 0.761 367 E HN 0.180 nan 8.360 nan 0.000 0.451 368 R N 0.714 121.191 120.500 -0.038 0.000 2.105 368 R HA -0.144 4.196 4.340 -0.000 0.000 0.239 368 R C 2.565 178.854 176.300 -0.018 0.000 1.135 368 R CA 1.599 57.681 56.100 -0.029 0.000 0.967 368 R CB -0.356 29.918 30.300 -0.043 0.000 0.861 368 R HN 0.201 nan 8.270 nan 0.000 0.442 369 V N -2.406 117.495 119.914 -0.021 0.000 2.283 369 V HA -0.030 4.090 4.120 -0.000 0.000 0.243 369 V C 2.355 178.444 176.094 -0.009 0.000 1.039 369 V CA 1.457 63.748 62.300 -0.015 0.000 1.016 369 V CB -1.263 30.550 31.823 -0.017 0.000 0.650 369 V HN 0.210 nan 8.190 nan 0.000 0.449 370 A N 1.042 123.856 122.820 -0.010 0.000 1.859 370 A HA -0.326 3.994 4.320 -0.000 0.000 0.218 370 A C 2.321 179.904 177.584 -0.001 0.000 1.209 370 A CA 2.949 54.982 52.037 -0.007 0.000 0.639 370 A CB -0.940 18.055 19.000 -0.008 0.000 0.835 370 A HN 0.628 nan 8.150 nan 0.000 0.450 371 K N -1.380 119.022 120.400 0.005 0.000 2.160 371 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 371 K C 1.734 178.344 176.600 0.017 0.000 1.047 371 K CA 1.447 57.744 56.287 0.016 0.000 0.930 371 K CB -0.250 32.270 32.500 0.033 0.000 0.720 371 K HN 0.406 nan 8.250 nan 0.000 0.450 372 L N -0.744 120.485 121.223 0.011 0.000 2.416 372 L HA 0.111 4.451 4.340 -0.000 0.000 0.216 372 L C 1.720 178.592 176.870 0.004 0.000 1.098 372 L CA 0.798 55.644 54.840 0.010 0.000 0.840 372 L CB 0.234 42.296 42.059 0.005 0.000 0.981 372 L HN 0.030 nan 8.230 nan 0.000 0.462 373 A N -1.296 121.524 122.820 0.000 0.000 1.963 373 A HA 0.337 4.657 4.320 -0.000 0.000 0.207 373 A C 1.825 179.408 177.584 -0.003 0.000 1.243 373 A CA 0.520 52.556 52.037 -0.002 0.000 0.728 373 A CB -0.717 18.281 19.000 -0.004 0.000 0.895 373 A HN 0.320 nan 8.150 nan 0.000 0.467 374 G N 0.280 109.078 108.800 -0.003 0.000 3.474 374 G HA2 0.417 4.377 3.960 -0.000 0.000 0.269 374 G HA3 0.417 4.377 3.960 -0.000 0.000 0.269 374 G C 1.048 175.945 174.900 -0.005 0.000 1.339 374 G CA 0.618 45.715 45.100 -0.005 0.000 1.258 374 G HN 0.795 nan 8.290 nan 0.000 0.560 375 G N 0.164 108.962 108.800 -0.003 0.000 2.998 375 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.855 375 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.855 375 G C 0.144 175.039 174.900 -0.009 0.000 1.032 375 G CA 1.073 46.171 45.100 -0.004 0.000 0.804 375 G HN 0.960 nan 8.290 nan 0.000 0.970 376 V N -0.646 119.260 119.914 -0.012 0.000 2.971 376 V HA 0.714 4.834 4.120 -0.000 0.000 0.309 376 V C 0.390 176.473 176.094 -0.018 0.000 1.130 376 V CA -0.374 61.915 62.300 -0.018 0.000 0.964 376 V CB 1.666 33.475 31.823 -0.023 0.000 1.029 376 V HN 1.436 nan 8.190 nan 0.000 0.427 377 A N 2.481 125.288 122.820 -0.022 0.000 2.306 377 A HA 0.847 5.167 4.320 -0.000 0.000 0.314 377 A C -0.777 176.794 177.584 -0.021 0.000 1.164 377 A CA -0.507 51.518 52.037 -0.020 0.000 0.822 377 A CB 1.285 20.272 19.000 -0.021 0.000 1.130 377 A HN 0.811 nan 8.150 nan 0.000 0.496 378 V N 4.022 123.926 119.914 -0.017 0.000 2.482 378 V HA 0.321 4.441 4.120 -0.000 0.000 0.295 378 V C -0.663 175.423 176.094 -0.013 0.000 1.026 378 V CA -0.108 62.183 62.300 -0.016 0.000 0.856 378 V CB 1.373 33.188 31.823 -0.015 0.000 1.001 378 V HN 0.749 nan 8.190 nan 0.000 0.424 379 I N 5.461 126.024 120.570 -0.012 0.000 2.328 379 I HA 0.415 4.585 4.170 -0.000 0.000 0.287 379 I C 0.097 176.210 176.117 -0.006 0.000 1.012 379 I CA -0.548 60.747 61.300 -0.009 0.000 1.195 379 I CB 1.228 39.224 38.000 -0.008 0.000 1.350 379 I HN 0.442 nan 8.210 nan 0.000 0.464 380 K N 6.172 126.569 120.400 -0.005 0.000 2.266 380 K HA 0.368 4.688 4.320 -0.000 0.000 0.274 380 K C -0.299 176.300 176.600 -0.002 0.000 1.090 380 K CA -0.575 55.710 56.287 -0.004 0.000 0.925 380 K CB 1.252 33.750 32.500 -0.004 0.000 1.225 380 K HN 0.343 nan 8.250 nan 0.000 0.458 381 V N 2.475 122.389 119.914 -0.000 0.000 3.083 381 V HA -0.133 3.987 4.120 -0.000 0.000 0.303 381 V C 1.663 177.758 176.094 0.001 0.000 1.151 381 V CA 0.499 62.800 62.300 0.001 0.000 1.275 381 V CB 0.130 31.955 31.823 0.004 0.000 0.950 381 V HN 0.954 nan 8.190 nan 0.000 0.506 382 G N 1.394 110.195 108.800 0.001 0.000 2.393 382 G HA2 0.506 4.466 3.960 -0.000 0.000 0.268 382 G HA3 0.506 4.466 3.960 -0.000 0.000 0.268 382 G C 0.135 175.036 174.900 0.002 0.000 1.472 382 G CA 0.482 45.583 45.100 0.001 0.000 1.059 382 G HN 1.377 nan 8.290 nan 0.000 0.555 383 A N -3.521 119.300 122.820 0.002 0.000 5.519 383 A HA 0.840 5.160 4.320 -0.000 0.000 0.158 383 A C 0.065 177.650 177.584 0.002 0.000 0.860 383 A CA 0.767 52.805 52.037 0.002 0.000 1.134 383 A CB -0.305 18.696 19.000 0.001 0.000 2.248 383 A HN 2.576 nan 8.150 nan 0.000 1.056 384 A N -0.593 122.228 122.820 0.002 0.000 3.033 384 A HA 0.575 4.895 4.320 -0.000 0.000 0.262 384 A C 1.023 178.608 177.584 0.002 0.000 1.301 384 A CA 1.156 53.194 52.037 0.002 0.000 0.727 384 A CB -2.618 16.383 19.000 0.002 0.000 1.094 384 A HN 3.568 nan 8.150 nan 0.000 0.374 385 T N -2.075 112.480 114.554 0.002 0.000 0.541 385 T HA -0.093 4.257 4.350 -0.000 0.000 0.774 385 T C 0.397 175.099 174.700 0.003 0.000 0.992 385 T CA 1.537 63.639 62.100 0.002 0.000 4.077 385 T CB -1.033 67.837 68.868 0.002 0.000 2.303 385 T HN 1.915 nan 8.240 nan 0.000 0.398 386 E N 0.978 121.180 120.200 0.003 0.000 2.058 386 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 386 E C 2.196 178.798 176.600 0.004 0.000 0.997 386 E CA 2.071 58.473 56.400 0.004 0.000 0.801 386 E CB -0.188 29.515 29.700 0.004 0.000 0.746 386 E HN 0.648 nan 8.360 nan 0.000 0.450 387 V N 1.378 121.294 119.914 0.004 0.000 2.332 387 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 387 V C 2.077 178.174 176.094 0.005 0.000 1.055 387 V CA 2.276 64.579 62.300 0.005 0.000 1.038 387 V CB -0.537 31.288 31.823 0.004 0.000 0.651 387 V HN 0.312 nan 8.190 nan 0.000 0.450 388 E N -0.812 119.390 120.200 0.004 0.000 2.158 388 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 388 E C 2.193 178.796 176.600 0.004 0.000 0.982 388 E CA 0.877 57.279 56.400 0.004 0.000 0.823 388 E CB -0.198 29.504 29.700 0.003 0.000 0.766 388 E HN 0.418 nan 8.360 nan 0.000 0.468 389 M N 1.232 120.834 119.600 0.004 0.000 2.117 389 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 389 M C 1.552 177.855 176.300 0.006 0.000 1.065 389 M CA 1.505 56.808 55.300 0.005 0.000 1.114 389 M CB -0.134 32.469 32.600 0.004 0.000 1.361 389 M HN -0.147 nan 8.290 nan 0.000 0.408 390 K N 0.097 120.501 120.400 0.006 0.000 2.439 390 K HA -0.102 4.218 4.320 -0.000 0.000 0.197 390 K C 1.730 178.335 176.600 0.008 0.000 1.041 390 K CA 0.726 57.018 56.287 0.008 0.000 0.970 390 K CB -0.176 32.329 32.500 0.008 0.000 0.773 390 K HN 0.592 nan 8.250 nan 0.000 0.479 391 E N 0.987 121.191 120.200 0.007 0.000 2.102 391 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 391 E C 1.874 178.479 176.600 0.008 0.000 0.971 391 E CA 0.467 56.871 56.400 0.007 0.000 0.821 391 E CB 0.284 29.987 29.700 0.006 0.000 0.777 391 E HN 0.076 nan 8.360 nan 0.000 0.460 392 K N 1.155 121.560 120.400 0.007 0.000 2.062 392 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 392 K C 2.240 178.846 176.600 0.010 0.000 1.051 392 K CA 1.159 57.451 56.287 0.008 0.000 0.941 392 K CB 0.016 32.520 32.500 0.006 0.000 0.719 392 K HN -0.087 nan 8.250 nan 0.000 0.440 393 K N 0.365 120.771 120.400 0.010 0.000 2.059 393 K HA -0.223 4.097 4.320 -0.000 0.000 0.212 393 K C 1.907 178.517 176.600 0.017 0.000 1.050 393 K CA 1.610 57.904 56.287 0.012 0.000 0.927 393 K CB -0.221 32.286 32.500 0.011 0.000 0.714 393 K HN 0.212 nan 8.250 nan 0.000 0.447 394 A N 1.444 124.274 122.820 0.016 0.000 1.858 394 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 394 A C 2.063 179.660 177.584 0.021 0.000 1.190 394 A CA 1.652 53.701 52.037 0.019 0.000 0.617 394 A CB -0.581 18.427 19.000 0.013 0.000 0.827 394 A HN 0.379 nan 8.150 nan 0.000 0.443 395 R N -0.632 119.878 120.500 0.017 0.000 2.211 395 R HA -0.096 4.244 4.340 -0.000 0.000 0.240 395 R C 1.910 178.224 176.300 0.023 0.000 1.144 395 R CA 1.272 57.383 56.100 0.017 0.000 0.992 395 R CB -0.551 29.757 30.300 0.012 0.000 0.869 395 R HN 0.426 nan 8.270 nan 0.000 0.462 396 V N 1.011 120.939 119.914 0.023 0.000 2.283 396 V HA -0.202 3.918 4.120 -0.000 0.000 0.243 396 V C 1.984 178.102 176.094 0.039 0.000 1.039 396 V CA 1.707 64.022 62.300 0.024 0.000 1.016 396 V CB -0.338 31.495 31.823 0.016 0.000 0.650 396 V HN 0.315 nan 8.190 nan 0.000 0.449 397 E N 0.482 120.713 120.200 0.051 0.000 2.049 397 E HA -0.265 4.085 4.350 -0.000 0.000 0.198 397 E C 2.314 179.002 176.600 0.146 0.000 1.007 397 E CA 1.557 58.015 56.400 0.096 0.000 0.809 397 E CB -0.434 29.324 29.700 0.098 0.000 0.749 397 E HN 0.578 nan 8.360 nan 0.000 0.450 398 A N 1.416 124.290 122.820 0.090 0.000 1.908 398 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 398 A C 2.364 180.003 177.584 0.091 0.000 1.181 398 A CA 2.033 54.113 52.037 0.071 0.000 0.627 398 A CB -0.809 18.206 19.000 0.026 0.000 0.818 398 A HN 0.319 nan 8.150 nan 0.000 0.445 399 A N -0.317 122.541 122.820 0.064 0.000 1.832 399 A HA 0.009 4.329 4.320 -0.000 0.000 0.214 399 A C 2.130 179.747 177.584 0.056 0.000 1.200 399 A CA 1.758 53.824 52.037 0.050 0.000 0.610 399 A CB -0.932 18.086 19.000 0.030 0.000 0.842 399 A HN 0.963 nan 8.150 nan 0.000 0.444 400 L N -0.278 120.971 121.223 0.043 0.000 2.010 400 L HA -0.294 4.046 4.340 -0.000 0.000 0.219 400 L C 2.263 179.138 176.870 0.008 0.000 1.077 400 L CA 2.813 57.658 54.840 0.009 0.000 0.773 400 L CB -1.226 40.823 42.059 -0.018 0.000 0.892 400 L HN 0.576 nan 8.230 nan 0.000 0.436 401 H N -0.143 118.926 119.070 -0.001 0.000 2.355 401 H HA -0.210 4.346 4.556 -0.000 0.000 0.293 401 H C 2.080 177.409 175.328 0.002 0.000 1.060 401 H CA 2.261 58.309 56.048 -0.000 0.000 1.167 401 H CB -0.652 29.110 29.762 0.001 0.000 1.376 401 H HN 0.528 nan 8.280 nan 0.000 0.549 402 A N 0.033 122.958 122.820 0.175 0.000 1.997 402 A HA -0.234 4.086 4.320 -0.000 0.000 0.221 402 A C 2.684 180.302 177.584 0.057 0.000 1.172 402 A CA 2.409 54.502 52.037 0.093 0.000 0.645 402 A CB -1.056 17.981 19.000 0.062 0.000 0.813 402 A HN 0.534 nan 8.150 nan 0.000 0.454 403 T N -0.898 113.682 114.554 0.044 0.000 2.643 403 T HA -0.149 4.201 4.350 -0.000 0.000 0.264 403 T C 2.166 176.874 174.700 0.012 0.000 1.045 403 T CA 1.347 63.460 62.100 0.021 0.000 1.155 403 T CB -0.273 68.601 68.868 0.010 0.000 0.863 403 T HN 0.367 nan 8.240 nan 0.000 0.420 404 R N 1.269 121.768 120.500 -0.001 0.000 2.134 404 R HA -0.108 4.232 4.340 -0.000 0.000 0.248 404 R C 2.411 178.714 176.300 0.005 0.000 1.143 404 R CA 1.949 58.041 56.100 -0.014 0.000 0.957 404 R CB -1.211 29.060 30.300 -0.048 0.000 0.867 404 R HN 0.453 nan 8.270 nan 0.000 0.441 405 A N -0.505 122.331 122.820 0.026 0.000 2.216 405 A HA 0.070 4.390 4.320 -0.000 0.000 0.214 405 A C 2.051 179.649 177.584 0.023 0.000 1.160 405 A CA 1.498 53.554 52.037 0.032 0.000 0.725 405 A CB -0.249 18.784 19.000 0.054 0.000 0.784 405 A HN 0.425 nan 8.150 nan 0.000 0.472 406 A N -0.949 121.883 122.820 0.019 0.000 1.942 406 A HA 0.233 4.553 4.320 -0.000 0.000 0.209 406 A C 2.011 179.600 177.584 0.010 0.000 1.214 406 A CA 0.989 53.035 52.037 0.015 0.000 0.686 406 A CB -0.562 18.447 19.000 0.015 0.000 0.871 406 A HN 0.279 nan 8.150 nan 0.000 0.460 407 V N 0.707 120.625 119.914 0.007 0.000 2.324 407 V HA -0.318 3.802 4.120 -0.000 0.000 0.250 407 V C 2.388 178.484 176.094 0.003 0.000 1.060 407 V CA 2.493 64.795 62.300 0.003 0.000 1.042 407 V CB -0.860 30.962 31.823 -0.001 0.000 0.650 407 V HN 0.615 nan 8.190 nan 0.000 0.450 408 E N -0.039 120.164 120.200 0.005 0.000 2.006 408 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 408 E C 1.562 178.165 176.600 0.005 0.000 0.993 408 E CA 1.384 57.787 56.400 0.005 0.000 0.808 408 E CB -0.048 29.656 29.700 0.007 0.000 0.764 408 E HN 0.653 nan 8.360 nan 0.000 0.449 409 E N -0.217 119.987 120.200 0.007 0.000 2.685 409 E HA 0.247 4.597 4.350 -0.000 0.000 0.208 409 E C 0.120 176.724 176.600 0.006 0.000 0.996 409 E CA -0.002 56.401 56.400 0.005 0.000 1.054 409 E CB 1.220 30.922 29.700 0.003 0.000 1.075 409 E HN 0.331 nan 8.360 nan 0.000 0.460 410 G N 1.049 109.853 108.800 0.008 0.000 2.598 410 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.244 410 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.244 410 G C -0.224 174.683 174.900 0.011 0.000 1.302 410 G CA -0.300 44.805 45.100 0.009 0.000 0.903 410 G HN 0.633 nan 8.290 nan 0.000 0.575 411 V N -3.068 116.853 119.914 0.012 0.000 3.159 411 V HA 0.977 5.097 4.120 -0.000 0.000 0.308 411 V C -0.144 175.959 176.094 0.015 0.000 1.190 411 V CA 0.397 62.705 62.300 0.014 0.000 1.037 411 V CB 1.489 33.321 31.823 0.015 0.000 1.060 411 V HN 2.639 nan 8.190 nan 0.000 0.437 412 V N 1.939 121.863 119.914 0.017 0.000 3.178 412 V HA 0.892 5.012 4.120 -0.000 0.000 0.302 412 V C 0.449 176.555 176.094 0.021 0.000 1.262 412 V CA -0.257 62.054 62.300 0.019 0.000 1.030 412 V CB 1.839 33.672 31.823 0.017 0.000 1.074 412 V HN 2.682 nan 8.190 nan 0.000 0.438 413 A N 3.599 126.435 122.820 0.026 0.000 2.500 413 A HA 0.406 4.726 4.320 -0.000 0.000 0.281 413 A C 1.072 178.671 177.584 0.024 0.000 1.092 413 A CA 1.112 53.167 52.037 0.029 0.000 0.909 413 A CB -1.329 17.694 19.000 0.039 0.000 0.958 413 A HN 2.100 nan 8.150 nan 0.000 0.535 414 G N 1.504 110.316 108.800 0.021 0.000 2.468 414 G HA2 0.506 4.466 3.960 -0.000 0.000 0.264 414 G HA3 0.506 4.466 3.960 -0.000 0.000 0.264 414 G C 1.273 176.183 174.900 0.018 0.000 1.460 414 G CA -0.053 45.057 45.100 0.018 0.000 1.060 414 G HN 2.214 nan 8.290 nan 0.000 0.543 415 G N -2.165 106.645 108.800 0.016 0.000 2.283 415 G HA2 0.221 4.181 3.960 -0.000 0.000 0.280 415 G HA3 0.221 4.181 3.960 -0.000 0.000 0.280 415 G C 1.506 176.414 174.900 0.014 0.000 1.029 415 G CA 1.221 46.331 45.100 0.018 0.000 0.840 415 G HN 2.475 nan 8.290 nan 0.000 0.505 416 G N -2.862 105.943 108.800 0.009 0.000 2.253 416 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.251 416 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.251 416 G C 1.900 176.802 174.900 0.004 0.000 0.998 416 G CA 1.789 46.890 45.100 0.001 0.000 0.621 416 G HN 2.039 nan 8.290 nan 0.000 0.524 417 V N -0.921 119.001 119.914 0.012 0.000 2.283 417 V HA 0.292 4.412 4.120 -0.000 0.000 0.243 417 V C 3.099 179.205 176.094 0.021 0.000 1.039 417 V CA 2.295 64.605 62.300 0.018 0.000 1.016 417 V CB -1.760 30.078 31.823 0.025 0.000 0.650 417 V HN 1.706 nan 8.190 nan 0.000 0.449 418 A N 1.579 124.412 122.820 0.021 0.000 1.899 418 A HA -0.304 4.016 4.320 -0.000 0.000 0.230 418 A C 2.278 179.873 177.584 0.017 0.000 1.593 418 A CA 3.223 55.272 52.037 0.020 0.000 0.728 418 A CB -1.153 17.857 19.000 0.016 0.000 0.848 418 A HN 0.632 nan 8.150 nan 0.000 0.490 419 L N -0.977 120.253 121.223 0.012 0.000 2.005 419 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 419 L C 2.614 179.491 176.870 0.011 0.000 1.072 419 L CA 1.677 56.522 54.840 0.010 0.000 0.744 419 L CB -0.785 41.277 42.059 0.006 0.000 0.895 419 L HN 0.447 nan 8.230 nan 0.000 0.433 420 I N -0.342 120.235 120.570 0.011 0.000 2.315 420 I HA -0.296 3.874 4.170 -0.000 0.000 0.251 420 I C 2.804 178.934 176.117 0.022 0.000 1.125 420 I CA 0.871 62.179 61.300 0.013 0.000 1.392 420 I CB -0.446 37.561 38.000 0.012 0.000 1.065 420 I HN 0.278 nan 8.210 nan 0.000 0.424 421 R N 1.507 122.023 120.500 0.027 0.000 2.082 421 R HA -0.107 4.233 4.340 -0.000 0.000 0.228 421 R C 2.205 178.520 176.300 0.026 0.000 1.140 421 R CA 1.849 57.969 56.100 0.034 0.000 0.920 421 R CB -1.121 29.203 30.300 0.040 0.000 0.828 421 R HN 0.092 nan 8.270 nan 0.000 0.430 422 V N 1.292 121.219 119.914 0.020 0.000 2.218 422 V HA -0.348 3.772 4.120 -0.000 0.000 0.251 422 V C 2.282 178.384 176.094 0.013 0.000 1.057 422 V CA 2.610 64.919 62.300 0.015 0.000 1.022 422 V CB -1.256 30.573 31.823 0.010 0.000 0.645 422 V HN 0.625 nan 8.190 nan 0.000 0.451 423 A N 0.237 123.063 122.820 0.011 0.000 2.245 423 A HA -0.191 4.128 4.320 -0.000 0.000 0.217 423 A C 2.328 179.919 177.584 0.011 0.000 1.171 423 A CA 2.101 54.143 52.037 0.009 0.000 0.688 423 A CB -0.620 18.385 19.000 0.007 0.000 0.781 423 A HN 0.800 nan 8.150 nan 0.000 0.479 424 S N -1.067 114.642 115.700 0.015 0.000 2.478 424 S HA 0.055 4.525 4.470 -0.000 0.000 0.222 424 S C 1.663 176.272 174.600 0.015 0.000 1.008 424 S CA 0.691 58.902 58.200 0.017 0.000 0.928 424 S CB -0.012 63.203 63.200 0.025 0.000 0.781 424 S HN 0.621 nan 8.310 nan 0.000 0.518 425 K N 1.412 121.820 120.400 0.014 0.000 2.044 425 K HA 0.267 4.587 4.320 -0.000 0.000 0.204 425 K C 1.293 177.898 176.600 0.008 0.000 1.045 425 K CA 0.752 57.046 56.287 0.012 0.000 0.951 425 K CB -0.433 32.074 32.500 0.012 0.000 0.738 425 K HN 0.302 nan 8.250 nan 0.000 0.443 426 L N 1.700 122.927 121.223 0.007 0.000 2.885 426 L HA -0.047 4.293 4.340 -0.000 0.000 0.258 426 L C 1.771 178.644 176.870 0.004 0.000 1.146 426 L CA -0.302 54.541 54.840 0.005 0.000 0.922 426 L CB -0.728 41.334 42.059 0.004 0.000 1.138 426 L HN 0.201 nan 8.230 nan 0.000 0.431 427 A N -0.632 122.191 122.820 0.005 0.000 2.172 427 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 427 A C 1.773 179.359 177.584 0.003 0.000 1.154 427 A CA 1.198 53.238 52.037 0.005 0.000 0.701 427 A CB -0.160 18.843 19.000 0.006 0.000 0.789 427 A HN 0.391 nan 8.150 nan 0.000 0.465 428 D N -1.156 119.246 120.400 0.003 0.000 2.392 428 D HA 0.095 4.735 4.640 -0.000 0.000 0.206 428 D C 0.357 176.658 176.300 0.002 0.000 1.046 428 D CA -0.205 53.796 54.000 0.002 0.000 0.865 428 D CB 0.014 40.815 40.800 0.002 0.000 0.969 428 D HN 0.346 nan 8.370 nan 0.000 0.509 429 L N 2.275 123.499 121.223 0.002 0.000 2.578 429 L HA -0.010 4.330 4.340 -0.000 0.000 0.279 429 L C 0.197 177.067 176.870 0.001 0.000 1.227 429 L CA 0.787 55.628 54.840 0.001 0.000 0.900 429 L CB 0.063 42.123 42.059 0.001 0.000 1.144 429 L HN -0.158 nan 8.230 nan 0.000 0.496 430 R N 3.123 123.623 120.500 0.000 0.000 2.855 430 R HA 0.722 5.062 4.340 -0.000 0.000 0.266 430 R C -0.233 176.066 176.300 -0.000 0.000 1.034 430 R CA -0.333 55.767 56.100 0.000 0.000 0.944 430 R CB 1.466 31.766 30.300 0.000 0.000 1.219 430 R HN 0.791 nan 8.270 nan 0.000 0.474 431 G N -0.365 108.434 108.800 -0.000 0.000 3.212 431 G HA2 0.226 4.186 3.960 -0.000 0.000 0.188 431 G HA3 0.226 4.186 3.960 -0.000 0.000 0.188 431 G C 0.020 174.919 174.900 -0.001 0.000 1.254 431 G CA -0.185 44.915 45.100 -0.001 0.000 0.957 431 G HN 0.411 nan 8.290 nan 0.000 0.596 432 Q N -0.392 119.407 119.800 -0.001 0.000 2.250 432 Q HA 0.115 4.455 4.340 -0.000 0.000 0.200 432 Q C -0.070 175.929 176.000 -0.002 0.000 0.941 432 Q CA 0.659 56.462 55.803 -0.001 0.000 0.872 432 Q CB 0.157 28.894 28.738 -0.002 0.000 0.965 432 Q HN 0.588 nan 8.270 nan 0.000 0.480 433 N N -1.486 117.213 118.700 -0.002 0.000 2.321 433 N HA 0.400 5.140 4.740 -0.000 0.000 0.290 433 N C -0.025 175.485 175.510 -0.001 0.000 1.212 433 N CA -0.035 53.014 53.050 -0.002 0.000 0.767 433 N CB 0.702 39.188 38.487 -0.002 0.000 1.494 433 N HN -0.075 nan 8.380 nan 0.000 0.479 434 A N 0.418 123.237 122.820 -0.001 0.000 1.903 434 A HA -0.249 4.071 4.320 -0.000 0.000 0.219 434 A C 1.018 178.602 177.584 -0.001 0.000 1.191 434 A CA 2.051 54.087 52.037 -0.001 0.000 0.638 434 A CB -1.005 17.994 19.000 -0.001 0.000 0.823 434 A HN 0.755 nan 8.150 nan 0.000 0.451 435 D N -1.156 119.243 120.400 -0.001 0.000 2.411 435 D HA -0.066 4.574 4.640 -0.000 0.000 0.226 435 D C 1.657 177.956 176.300 -0.001 0.000 0.988 435 D CA 0.992 54.991 54.000 -0.002 0.000 0.938 435 D CB -0.038 40.761 40.800 -0.002 0.000 0.883 435 D HN 0.731 nan 8.370 nan 0.000 0.525 436 Q N -0.995 118.805 119.800 -0.001 0.000 2.404 436 Q HA 0.089 4.429 4.340 -0.000 0.000 0.262 436 Q C 1.410 177.410 176.000 -0.001 0.000 0.846 436 Q CA -0.225 55.578 55.803 -0.001 0.000 0.978 436 Q CB 0.527 29.264 28.738 -0.001 0.000 1.156 436 Q HN 0.029 nan 8.270 nan 0.000 0.548 437 N N 0.201 118.901 118.700 -0.000 0.000 2.166 437 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 437 N C 1.681 177.191 175.510 0.000 0.000 1.019 437 N CA 1.095 54.145 53.050 -0.000 0.000 0.856 437 N CB -0.014 38.473 38.487 -0.000 0.000 0.993 437 N HN 0.047 nan 8.380 nan 0.000 0.426 438 V N 0.696 120.610 119.914 0.000 0.000 2.548 438 V HA -0.071 4.049 4.120 -0.000 0.000 0.249 438 V C 2.301 178.395 176.094 0.000 0.000 1.055 438 V CA 1.732 64.032 62.300 0.000 0.000 1.065 438 V CB -1.008 30.815 31.823 -0.000 0.000 0.681 438 V HN 0.324 nan 8.190 nan 0.000 0.462 439 G N -0.512 108.289 108.800 0.000 0.000 2.535 439 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.218 439 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.218 439 G C 1.396 176.297 174.900 0.001 0.000 1.122 439 G CA 0.713 45.814 45.100 0.001 0.000 0.769 439 G HN 0.509 nan 8.290 nan 0.000 0.549 440 I N -0.464 120.106 120.570 0.001 0.000 2.594 440 I HA 0.044 4.214 4.170 -0.000 0.000 0.237 440 I C 2.399 178.517 176.117 0.001 0.000 1.071 440 I CA 0.205 61.505 61.300 0.001 0.000 1.427 440 I CB -0.132 37.869 38.000 0.001 0.000 1.218 440 I HN -0.157 nan 8.210 nan 0.000 0.444 441 K N 1.014 121.415 120.400 0.001 0.000 2.163 441 K HA -0.194 4.126 4.320 -0.000 0.000 0.210 441 K C 2.064 178.665 176.600 0.001 0.000 1.048 441 K CA 1.214 57.501 56.287 0.001 0.000 0.928 441 K CB -0.992 31.509 32.500 0.001 0.000 0.716 441 K HN 0.201 nan 8.250 nan 0.000 0.459 442 V N 1.159 121.074 119.914 0.001 0.000 2.295 442 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 442 V C 2.386 178.481 176.094 0.002 0.000 1.049 442 V CA 1.980 64.281 62.300 0.002 0.000 1.024 442 V CB -0.670 31.154 31.823 0.002 0.000 0.648 442 V HN 0.361 nan 8.190 nan 0.000 0.447 443 A N -0.881 121.941 122.820 0.002 0.000 2.067 443 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 443 A C 2.123 179.709 177.584 0.002 0.000 1.158 443 A CA 1.389 53.428 52.037 0.003 0.000 0.661 443 A CB -0.319 18.682 19.000 0.002 0.000 0.801 443 A HN 0.534 nan 8.150 nan 0.000 0.452 444 L N -1.561 119.663 121.223 0.002 0.000 2.062 444 L HA 0.002 4.342 4.340 -0.000 0.000 0.202 444 L C 2.607 179.478 176.870 0.002 0.000 1.079 444 L CA 1.187 56.028 54.840 0.003 0.000 0.755 444 L CB -0.581 41.480 42.059 0.003 0.000 0.913 444 L HN 0.366 nan 8.230 nan 0.000 0.445 445 R N 0.934 121.435 120.500 0.002 0.000 2.276 445 R HA -0.175 4.164 4.340 -0.000 0.000 0.243 445 R C 1.616 177.915 176.300 -0.001 0.000 1.161 445 R CA 1.283 57.384 56.100 0.000 0.000 1.007 445 R CB -0.085 30.215 30.300 0.000 0.000 0.867 445 R HN 0.386 nan 8.270 nan 0.000 0.472 446 A N -0.442 122.379 122.820 0.001 0.000 2.307 446 A HA 0.150 4.470 4.320 -0.000 0.000 0.218 446 A C 1.428 179.012 177.584 0.001 0.000 1.228 446 A CA -0.115 51.922 52.037 0.001 0.000 0.857 446 A CB 0.106 19.108 19.000 0.003 0.000 0.897 446 A HN 0.317 nan 8.150 nan 0.000 0.495 447 M N -1.413 118.187 119.600 0.001 0.000 2.461 447 M HA 0.126 4.606 4.480 -0.000 0.000 0.255 447 M C 1.059 177.358 176.300 -0.001 0.000 1.137 447 M CA 0.415 55.715 55.300 0.001 0.000 1.086 447 M CB 0.177 32.779 32.600 0.003 0.000 1.356 447 M HN 0.327 nan 8.290 nan 0.000 0.487 448 E N 1.116 121.314 120.200 -0.003 0.000 2.511 448 E HA 0.030 4.380 4.350 -0.000 0.000 0.196 448 E C 1.747 178.338 176.600 -0.014 0.000 1.066 448 E CA 0.233 56.628 56.400 -0.008 0.000 0.871 448 E CB 0.139 29.834 29.700 -0.008 0.000 0.863 448 E HN 0.464 nan 8.360 nan 0.000 0.520 449 A N 2.055 124.868 122.820 -0.010 0.000 1.826 449 A HA -0.045 4.275 4.320 -0.000 0.000 0.214 449 A C -0.378 177.196 177.584 -0.017 0.000 1.212 449 A CA 0.675 52.704 52.037 -0.013 0.000 0.605 449 A CB -1.449 17.547 19.000 -0.007 0.000 0.861 449 A HN 0.079 nan 8.150 nan 0.000 0.447 450 P HA -0.219 nan 4.420 nan 0.000 0.219 450 P C 1.668 178.954 177.300 -0.023 0.000 1.158 450 P CA 1.473 64.566 63.100 -0.012 0.000 0.895 450 P CB -0.064 31.633 31.700 -0.005 0.000 0.792 451 L N -0.755 120.451 121.223 -0.029 0.000 1.973 451 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 451 L C 2.404 179.230 176.870 -0.073 0.000 1.073 451 L CA 1.747 56.557 54.840 -0.050 0.000 0.746 451 L CB -0.860 41.168 42.059 -0.051 0.000 0.891 451 L HN -0.288 nan 8.230 nan 0.000 0.433 452 R N -0.975 119.486 120.500 -0.065 0.000 2.228 452 R HA -0.303 4.037 4.340 -0.000 0.000 0.259 452 R C 2.234 178.496 176.300 -0.065 0.000 1.183 452 R CA 1.872 57.931 56.100 -0.068 0.000 1.002 452 R CB -0.324 29.949 30.300 -0.044 0.000 0.879 452 R HN 0.484 nan 8.270 nan 0.000 0.467 453 Q N 0.546 120.316 119.800 -0.051 0.000 2.013 453 Q HA -0.006 4.334 4.340 -0.000 0.000 0.195 453 Q C 1.890 177.861 176.000 -0.047 0.000 0.974 453 Q CA 1.421 57.200 55.803 -0.041 0.000 0.826 453 Q CB -0.059 28.663 28.738 -0.026 0.000 0.895 453 Q HN 0.330 nan 8.270 nan 0.000 0.448 454 I N -0.040 120.502 120.570 -0.047 0.000 2.248 454 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 454 I C 1.960 178.036 176.117 -0.068 0.000 1.107 454 I CA 0.912 62.187 61.300 -0.041 0.000 1.373 454 I CB -0.626 37.358 38.000 -0.027 0.000 1.055 454 I HN 0.017 nan 8.210 nan 0.000 0.418 455 V N 0.935 120.772 119.914 -0.127 0.000 2.867 455 V HA -0.209 3.911 4.120 -0.000 0.000 0.260 455 V C 2.234 178.260 176.094 -0.114 0.000 1.099 455 V CA 1.376 63.558 62.300 -0.198 0.000 1.122 455 V CB -0.397 31.255 31.823 -0.284 0.000 0.708 455 V HN 0.371 nan 8.190 nan 0.000 0.490 456 L N 0.111 121.289 121.223 -0.075 0.000 2.354 456 L HA 0.187 4.527 4.340 -0.000 0.000 0.212 456 L C 1.807 178.659 176.870 -0.031 0.000 1.091 456 L CA 1.306 56.118 54.840 -0.048 0.000 0.828 456 L CB -0.473 41.562 42.059 -0.039 0.000 0.973 456 L HN 0.254 nan 8.230 nan 0.000 0.461 457 N N -1.277 117.407 118.700 -0.028 0.000 2.575 457 N HA -0.049 4.691 4.740 -0.000 0.000 0.192 457 N C 0.675 176.180 175.510 -0.008 0.000 1.200 457 N CA 0.709 53.751 53.050 -0.015 0.000 0.897 457 N CB -0.318 38.162 38.487 -0.011 0.000 0.990 457 N HN 0.381 nan 8.380 nan 0.000 0.449 458 C N -1.554 117.739 119.300 -0.012 0.000 3.525 458 C HA 0.402 4.862 4.460 -0.000 0.000 0.289 458 C C 1.636 176.626 174.990 0.001 0.000 1.496 458 C CA -0.334 58.686 59.018 0.003 0.000 1.804 458 C CB -0.424 27.329 27.740 0.021 0.000 2.708 458 C HN 0.474 nan 8.230 nan 0.000 0.642 459 G N 1.734 110.529 108.800 -0.009 0.000 2.180 459 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.263 459 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.263 459 G C -0.257 174.639 174.900 -0.008 0.000 0.989 459 G CA 0.503 45.599 45.100 -0.007 0.000 0.692 459 G HN 0.569 nan 8.290 nan 0.000 0.526 460 E N 0.994 121.183 120.200 -0.019 0.000 2.156 460 E HA 0.283 4.633 4.350 -0.000 0.000 0.279 460 E C 0.428 176.999 176.600 -0.047 0.000 0.965 460 E CA -0.537 55.850 56.400 -0.022 0.000 0.789 460 E CB 0.767 30.456 29.700 -0.020 0.000 1.098 460 E HN 0.579 nan 8.360 nan 0.000 0.397 461 E N 4.252 124.436 120.200 -0.027 0.000 2.757 461 E HA -0.098 4.252 4.350 -0.000 0.000 0.238 461 E C -1.565 175.001 176.600 -0.056 0.000 1.057 461 E CA -0.808 55.574 56.400 -0.030 0.000 0.952 461 E CB 0.214 29.909 29.700 -0.009 0.000 0.934 461 E HN 0.209 nan 8.360 nan 0.000 0.518 462 P HA -0.143 nan 4.420 nan 0.000 0.219 462 P C 1.027 178.291 177.300 -0.059 0.000 1.150 462 P CA 0.822 63.867 63.100 -0.091 0.000 0.814 462 P CB 0.305 31.959 31.700 -0.076 0.000 0.787 463 S N -0.323 115.355 115.700 -0.036 0.000 2.393 463 S HA -0.183 4.287 4.470 -0.000 0.000 0.234 463 S C 1.917 176.510 174.600 -0.012 0.000 1.064 463 S CA 1.877 60.066 58.200 -0.019 0.000 1.088 463 S CB -1.616 61.577 63.200 -0.010 0.000 0.939 463 S HN -0.005 nan 8.310 nan 0.000 0.448 464 V N 1.266 121.176 119.914 -0.007 0.000 2.284 464 V HA -0.077 4.043 4.120 -0.000 0.000 0.236 464 V C 2.351 178.461 176.094 0.026 0.000 1.044 464 V CA 1.229 63.540 62.300 0.017 0.000 1.019 464 V CB -1.016 30.831 31.823 0.039 0.000 0.657 464 V HN 0.363 nan 8.190 nan 0.000 0.465 465 V N 0.745 120.660 119.914 0.002 0.000 2.353 465 V HA -0.403 3.717 4.120 -0.000 0.000 0.260 465 V C 2.592 178.686 176.094 0.000 0.000 1.091 465 V CA 2.509 64.798 62.300 -0.019 0.000 1.088 465 V CB -1.361 30.235 31.823 -0.377 0.000 0.672 465 V HN 0.599 nan 8.190 nan 0.000 0.455 466 A N 0.197 122.996 122.820 -0.036 0.000 1.832 466 A HA -0.228 4.092 4.320 -0.000 0.000 0.214 466 A C 2.051 179.643 177.584 0.014 0.000 1.204 466 A CA 1.822 53.848 52.037 -0.019 0.000 0.606 466 A CB -0.890 18.092 19.000 -0.030 0.000 0.849 466 A HN 0.608 nan 8.150 nan 0.000 0.445 467 N N -0.516 118.192 118.700 0.013 0.000 2.096 467 N HA -0.192 4.548 4.740 -0.000 0.000 0.195 467 N C 1.602 177.132 175.510 0.032 0.000 1.017 467 N CA 2.731 55.793 53.050 0.020 0.000 0.870 467 N CB -0.504 37.993 38.487 0.017 0.000 1.024 467 N HN 0.391 nan 8.380 nan 0.000 0.434 468 T N -0.828 113.751 114.554 0.041 0.000 2.812 468 T HA -0.017 4.333 4.350 -0.000 0.000 0.264 468 T C 1.836 176.565 174.700 0.049 0.000 1.042 468 T CA 1.149 63.264 62.100 0.025 0.000 1.140 468 T CB -0.263 68.592 68.868 -0.023 0.000 0.870 468 T HN 0.072 nan 8.240 nan 0.000 0.445 469 V N 1.430 121.377 119.914 0.055 0.000 2.594 469 V HA -0.132 3.988 4.120 -0.000 0.000 0.253 469 V C 2.377 178.526 176.094 0.092 0.000 1.069 469 V CA 1.450 63.766 62.300 0.027 0.000 1.082 469 V CB -0.460 31.374 31.823 0.019 0.000 0.680 469 V HN 0.454 nan 8.190 nan 0.000 0.469 470 K N 0.424 120.866 120.400 0.069 0.000 2.031 470 K HA -0.023 4.297 4.320 -0.000 0.000 0.205 470 K C 2.005 178.649 176.600 0.075 0.000 1.049 470 K CA 1.184 57.509 56.287 0.063 0.000 0.939 470 K CB -0.560 31.963 32.500 0.037 0.000 0.717 470 K HN 0.526 nan 8.250 nan 0.000 0.438 471 G N 0.743 109.585 108.800 0.071 0.000 2.894 471 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.203 471 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.203 471 G C 0.430 175.369 174.900 0.064 0.000 1.173 471 G CA 0.644 45.778 45.100 0.055 0.000 0.854 471 G HN 0.369 nan 8.290 nan 0.000 0.510 472 G N -0.470 108.399 108.800 0.115 0.000 3.291 472 G HA2 0.620 4.580 3.960 -0.000 0.000 0.173 472 G HA3 0.620 4.580 3.960 -0.000 0.000 0.173 472 G C -1.263 173.683 174.900 0.077 0.000 1.099 472 G CA 0.140 45.288 45.100 0.080 0.000 0.794 472 G HN 0.401 nan 8.290 nan 0.000 0.651 473 D N -3.075 117.384 120.400 0.098 0.000 2.808 473 D HA 0.520 5.160 4.640 -0.000 0.000 0.294 473 D C 0.405 176.762 176.300 0.095 0.000 1.278 473 D CA 0.655 54.702 54.000 0.079 0.000 0.756 473 D CB 0.329 41.147 40.800 0.029 0.000 1.271 473 D HN 1.948 nan 8.370 nan 0.000 0.425 474 G N 0.101 108.945 108.800 0.075 0.000 2.553 474 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.242 474 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.242 474 G C -0.172 174.791 174.900 0.106 0.000 1.277 474 G CA 0.046 45.191 45.100 0.074 0.000 0.910 474 G HN 0.797 nan 8.290 nan 0.000 0.576 475 N N 0.033 118.797 118.700 0.107 0.000 2.362 475 N HA 0.175 4.915 4.740 -0.000 0.000 0.211 475 N C 0.060 175.671 175.510 0.167 0.000 1.170 475 N CA -0.150 52.966 53.050 0.109 0.000 0.828 475 N CB 0.142 38.675 38.487 0.078 0.000 1.034 475 N HN 0.486 nan 8.380 nan 0.000 0.475 476 Y N 1.396 121.725 120.300 0.049 0.000 2.537 476 Y HA 0.310 4.860 4.550 -0.000 0.000 0.339 476 Y C 0.567 176.532 175.900 0.109 0.000 1.066 476 Y CA -0.272 57.870 58.100 0.070 0.000 1.357 476 Y CB 0.041 38.531 38.460 0.049 0.000 1.175 476 Y HN -0.027 nan 8.280 nan 0.000 0.525 477 G N 4.603 113.318 108.800 -0.141 0.000 3.247 477 G HA2 0.309 4.269 3.960 -0.000 0.000 0.226 477 G HA3 0.309 4.269 3.960 -0.000 0.000 0.226 477 G C -2.205 172.649 174.900 -0.076 0.000 1.220 477 G CA -0.869 44.149 45.100 -0.136 0.000 0.875 477 G HN 0.597 nan 8.290 nan 0.000 0.606 478 Y N 0.875 121.081 120.300 -0.158 0.000 2.373 478 Y HA 0.557 5.107 4.550 -0.000 0.000 0.336 478 Y C -0.605 175.162 175.900 -0.220 0.000 0.979 478 Y CA -1.200 56.716 58.100 -0.306 0.000 1.080 478 Y CB 1.812 40.039 38.460 -0.388 0.000 1.190 478 Y HN 0.444 nan 8.280 nan 0.000 0.446 479 N N 4.433 122.869 118.700 -0.440 0.000 2.430 479 N HA 0.209 4.949 4.740 -0.000 0.000 0.265 479 N C 0.519 175.848 175.510 -0.303 0.000 1.100 479 N CA 0.753 53.646 53.050 -0.261 0.000 0.961 479 N CB 1.816 40.157 38.487 -0.245 0.000 1.075 479 N HN 0.978 nan 8.380 nan 0.000 0.478 480 A N 4.512 127.353 122.820 0.034 0.000 1.858 480 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 480 A C 2.065 179.660 177.584 0.018 0.000 1.190 480 A CA 1.994 54.126 52.037 0.159 0.000 0.617 480 A CB -0.994 18.071 19.000 0.109 0.000 0.827 480 A HN 0.757 nan 8.150 nan 0.000 0.443 481 A N -0.422 122.377 122.820 -0.034 0.000 1.845 481 A HA -0.139 4.181 4.320 -0.000 0.000 0.215 481 A C 2.488 180.023 177.584 -0.083 0.000 1.195 481 A CA 2.860 54.871 52.037 -0.044 0.000 0.616 481 A CB -1.497 17.481 19.000 -0.037 0.000 0.832 481 A HN 0.878 nan 8.150 nan 0.000 0.443 482 T N -3.484 110.989 114.554 -0.136 0.000 3.055 482 T HA 0.016 4.366 4.350 -0.000 0.000 0.265 482 T C 0.550 175.118 174.700 -0.221 0.000 1.111 482 T CA 1.139 63.146 62.100 -0.154 0.000 1.118 482 T CB -0.399 68.379 68.868 -0.150 0.000 0.909 482 T HN 0.597 nan 8.240 nan 0.000 0.501 483 E N 0.488 120.470 120.200 -0.364 0.000 3.070 483 E HA -0.127 4.223 4.350 -0.000 0.000 0.285 483 E C -0.798 175.449 176.600 -0.587 0.000 0.972 483 E CA 0.767 56.886 56.400 -0.469 0.000 0.915 483 E CB -1.155 28.456 29.700 -0.148 0.000 1.466 483 E HN 0.688 nan 8.360 nan 0.000 0.432 484 E N -0.457 119.356 120.200 -0.646 0.000 2.340 484 E HA 0.391 4.741 4.350 -0.000 0.000 0.273 484 E C -0.232 176.076 176.600 -0.486 0.000 0.891 484 E CA -0.628 55.516 56.400 -0.428 0.000 0.757 484 E CB 0.992 30.592 29.700 -0.168 0.000 1.231 484 E HN -0.019 nan 8.360 nan 0.000 0.439 485 Y N 0.524 120.711 120.300 -0.189 0.000 2.262 485 Y HA 0.568 5.118 4.550 -0.000 0.000 0.368 485 Y C 1.530 177.426 175.900 -0.006 0.000 1.352 485 Y CA 0.831 58.852 58.100 -0.131 0.000 1.760 485 Y CB 0.478 38.899 38.460 -0.064 0.000 1.627 485 Y HN 0.725 nan 8.280 nan 0.000 0.606 486 G N -0.324 108.657 108.800 0.301 0.000 2.302 486 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.276 486 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.276 486 G C -1.631 173.426 174.900 0.261 0.000 1.316 486 G CA -1.011 44.268 45.100 0.298 0.000 0.988 486 G HN 0.637 nan 8.290 nan 0.000 0.479 487 N N 1.259 120.064 118.700 0.175 0.000 2.401 487 N HA 0.158 4.898 4.740 -0.000 0.000 0.255 487 N C 1.883 177.440 175.510 0.079 0.000 1.110 487 N CA -0.448 52.682 53.050 0.133 0.000 0.949 487 N CB 0.615 39.159 38.487 0.094 0.000 1.110 487 N HN 0.436 nan 8.380 nan 0.000 0.490 488 M N 3.374 123.017 119.600 0.071 0.000 2.267 488 M HA -0.156 4.324 4.480 -0.000 0.000 0.263 488 M C 1.480 177.799 176.300 0.033 0.000 1.063 488 M CA 0.949 56.273 55.300 0.040 0.000 1.090 488 M CB -0.432 32.190 32.600 0.037 0.000 1.392 488 M HN 0.544 nan 8.290 nan 0.000 0.422 489 I N 0.206 120.800 120.570 0.039 0.000 2.277 489 I HA -0.214 3.956 4.170 -0.000 0.000 0.243 489 I C 1.903 178.035 176.117 0.025 0.000 1.094 489 I CA 1.252 62.570 61.300 0.030 0.000 1.393 489 I CB -1.308 36.711 38.000 0.031 0.000 1.078 489 I HN 0.218 nan 8.210 nan 0.000 0.417 490 D N 0.830 121.247 120.400 0.029 0.000 2.117 490 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 490 D C 2.193 178.503 176.300 0.017 0.000 0.987 490 D CA 1.097 55.111 54.000 0.023 0.000 0.829 490 D CB -0.154 40.662 40.800 0.028 0.000 0.961 490 D HN 0.286 nan 8.370 nan 0.000 0.460 491 M N -0.305 119.305 119.600 0.017 0.000 2.700 491 M HA 0.037 4.517 4.480 -0.000 0.000 0.249 491 M C 1.080 177.381 176.300 0.001 0.000 1.082 491 M CA 0.810 56.113 55.300 0.005 0.000 1.077 491 M CB -0.082 32.517 32.600 -0.002 0.000 1.477 491 M HN 0.090 nan 8.290 nan 0.000 0.529 492 G N 1.938 110.742 108.800 0.007 0.000 2.160 492 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.251 492 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.251 492 G C 0.034 174.938 174.900 0.006 0.000 1.008 492 G CA -0.168 44.936 45.100 0.006 0.000 0.724 492 G HN 0.541 nan 8.290 nan 0.000 0.514 493 I N 0.884 121.458 120.570 0.007 0.000 2.347 493 I HA 0.561 4.731 4.170 -0.000 0.000 0.283 493 I C 0.150 176.276 176.117 0.014 0.000 1.058 493 I CA -0.810 60.495 61.300 0.008 0.000 1.202 493 I CB 0.537 38.540 38.000 0.005 0.000 1.386 493 I HN 0.257 nan 8.210 nan 0.000 0.475 494 L N 3.629 124.860 121.223 0.014 0.000 2.622 494 L HA 0.713 5.053 4.340 -0.000 0.000 0.258 494 L C -1.682 175.197 176.870 0.015 0.000 0.996 494 L CA -0.797 54.053 54.840 0.016 0.000 0.858 494 L CB 1.818 43.887 42.059 0.017 0.000 1.449 494 L HN 0.094 nan 8.230 nan 0.000 0.411 495 D N -0.146 120.264 120.400 0.016 0.000 2.619 495 D HA 0.514 5.154 4.640 -0.000 0.000 0.241 495 D C -2.808 173.502 176.300 0.017 0.000 1.087 495 D CA -1.263 52.747 54.000 0.017 0.000 0.851 495 D CB 2.190 42.999 40.800 0.015 0.000 1.474 495 D HN 0.349 nan 8.370 nan 0.000 0.478 496 P HA -0.014 nan 4.420 nan 0.000 0.269 496 P C 0.883 178.193 177.300 0.016 0.000 1.211 496 P CA 0.175 63.287 63.100 0.020 0.000 0.781 496 P CB 0.614 32.329 31.700 0.026 0.000 0.877 497 T N 0.927 115.488 114.554 0.013 0.000 2.812 497 T HA -0.138 4.212 4.350 -0.000 0.000 0.264 497 T C 1.640 176.344 174.700 0.005 0.000 1.042 497 T CA 1.068 63.173 62.100 0.009 0.000 1.140 497 T CB -0.377 68.495 68.868 0.006 0.000 0.870 497 T HN 0.479 nan 8.240 nan 0.000 0.445 498 K N 0.930 121.335 120.400 0.008 0.000 2.049 498 K HA -0.231 4.089 4.320 -0.000 0.000 0.219 498 K C 2.391 178.994 176.600 0.006 0.000 1.056 498 K CA 2.241 58.532 56.287 0.005 0.000 0.946 498 K CB -0.648 31.862 32.500 0.016 0.000 0.723 498 K HN 0.312 nan 8.250 nan 0.000 0.453 499 V N -0.216 119.708 119.914 0.017 0.000 2.261 499 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 499 V C 1.780 177.883 176.094 0.014 0.000 1.047 499 V CA 2.579 64.893 62.300 0.023 0.000 1.015 499 V CB -1.080 30.759 31.823 0.027 0.000 0.642 499 V HN 0.431 nan 8.190 nan 0.000 0.446 500 T N 0.108 114.669 114.554 0.010 0.000 2.946 500 T HA -0.154 4.196 4.350 -0.000 0.000 0.271 500 T C 1.788 176.485 174.700 -0.003 0.000 1.104 500 T CA 1.984 64.088 62.100 0.007 0.000 1.114 500 T CB -0.382 68.490 68.868 0.008 0.000 0.867 500 T HN 0.700 nan 8.240 nan 0.000 0.513 501 R N 0.869 121.360 120.500 -0.014 0.000 2.046 501 R HA 0.006 4.345 4.340 -0.000 0.000 0.223 501 R C 2.628 178.889 176.300 -0.064 0.000 1.179 501 R CA 1.278 57.356 56.100 -0.037 0.000 0.952 501 R CB -0.519 29.755 30.300 -0.044 0.000 0.843 501 R HN 0.144 nan 8.270 nan 0.000 0.439 502 S N 0.946 116.599 115.700 -0.078 0.000 2.393 502 S HA -0.320 4.150 4.470 -0.000 0.000 0.235 502 S C 2.057 176.631 174.600 -0.044 0.000 1.061 502 S CA 1.861 59.981 58.200 -0.133 0.000 1.129 502 S CB -0.683 62.508 63.200 -0.014 0.000 1.011 502 S HN 0.620 nan 8.310 nan 0.000 0.436 503 A N 0.738 123.581 122.820 0.038 0.000 1.948 503 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 503 A C 2.141 179.751 177.584 0.043 0.000 1.177 503 A CA 1.816 53.896 52.037 0.071 0.000 0.636 503 A CB -0.663 18.366 19.000 0.050 0.000 0.815 503 A HN 0.439 nan 8.150 nan 0.000 0.449 504 L N -0.474 120.751 121.223 0.004 0.000 2.156 504 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 504 L C 2.402 179.264 176.870 -0.014 0.000 1.095 504 L CA 2.019 56.858 54.840 -0.002 0.000 0.770 504 L CB -0.557 41.495 42.059 -0.012 0.000 0.914 504 L HN 0.511 nan 8.230 nan 0.000 0.439 505 Q N -1.676 118.085 119.800 -0.065 0.000 1.969 505 Q HA -0.173 4.167 4.340 -0.000 0.000 0.198 505 Q C 2.196 178.181 176.000 -0.025 0.000 0.978 505 Q CA 1.697 57.440 55.803 -0.100 0.000 0.830 505 Q CB -0.494 28.105 28.738 -0.232 0.000 0.896 505 Q HN 0.415 nan 8.270 nan 0.000 0.431 506 Y N 0.981 121.282 120.300 0.003 0.000 2.193 506 Y HA -0.260 4.290 4.550 -0.000 0.000 0.285 506 Y C 2.445 178.345 175.900 0.001 0.000 1.166 506 Y CA 0.976 59.078 58.100 0.002 0.000 1.181 506 Y CB -0.987 37.474 38.460 0.002 0.000 0.976 506 Y HN 0.191 nan 8.280 nan 0.000 0.520 507 A N -0.102 122.814 122.820 0.159 0.000 1.902 507 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 507 A C 2.538 180.161 177.584 0.065 0.000 1.181 507 A CA 2.045 54.135 52.037 0.088 0.000 0.623 507 A CB -1.254 17.781 19.000 0.058 0.000 0.818 507 A HN 0.401 nan 8.150 nan 0.000 0.443 508 A N -0.635 122.217 122.820 0.053 0.000 1.858 508 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 508 A C 2.454 180.064 177.584 0.043 0.000 1.190 508 A CA 2.336 54.393 52.037 0.034 0.000 0.617 508 A CB -1.255 17.755 19.000 0.016 0.000 0.827 508 A HN 0.675 nan 8.150 nan 0.000 0.443 509 S N -0.597 115.143 115.700 0.067 0.000 2.427 509 S HA -0.227 4.243 4.470 -0.000 0.000 0.231 509 S C 1.899 176.532 174.600 0.055 0.000 1.045 509 S CA 2.407 60.652 58.200 0.074 0.000 1.154 509 S CB -0.961 62.322 63.200 0.137 0.000 1.093 509 S HN 0.408 nan 8.310 nan 0.000 0.422 510 V N 2.862 122.812 119.914 0.060 0.000 2.215 510 V HA -0.298 3.822 4.120 -0.000 0.000 0.249 510 V C 2.929 179.038 176.094 0.025 0.000 1.054 510 V CA 2.494 64.815 62.300 0.035 0.000 1.012 510 V CB -1.708 30.133 31.823 0.029 0.000 0.639 510 V HN 0.757 nan 8.190 nan 0.000 0.448 511 A N 0.171 123.005 122.820 0.025 0.000 1.954 511 A HA -0.293 4.027 4.320 -0.000 0.000 0.222 511 A C 2.349 179.941 177.584 0.014 0.000 1.199 511 A CA 2.741 54.788 52.037 0.017 0.000 0.657 511 A CB -1.538 17.472 19.000 0.017 0.000 0.823 511 A HN 0.680 nan 8.150 nan 0.000 0.463 512 G N -0.211 108.600 108.800 0.017 0.000 2.552 512 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 512 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 512 G C 1.520 176.426 174.900 0.010 0.000 1.240 512 G CA 1.167 46.275 45.100 0.013 0.000 0.796 512 G HN 0.496 nan 8.290 nan 0.000 0.568 513 L N -0.204 121.027 121.223 0.013 0.000 2.010 513 L HA -0.264 4.076 4.340 -0.000 0.000 0.219 513 L C 3.145 180.017 176.870 0.004 0.000 1.077 513 L CA 1.900 56.745 54.840 0.009 0.000 0.773 513 L CB -0.593 41.473 42.059 0.011 0.000 0.892 513 L HN 0.267 nan 8.230 nan 0.000 0.436 514 M N -0.590 119.012 119.600 0.003 0.000 2.213 514 M HA -0.184 4.296 4.480 -0.000 0.000 0.263 514 M C 2.191 178.489 176.300 -0.003 0.000 1.062 514 M CA 1.716 57.015 55.300 -0.002 0.000 1.105 514 M CB -0.308 32.291 32.600 -0.001 0.000 1.385 514 M HN 0.237 nan 8.290 nan 0.000 0.417 515 I N -0.478 120.092 120.570 -0.000 0.000 2.830 515 I HA -0.127 4.043 4.170 -0.000 0.000 0.263 515 I C 1.232 177.347 176.117 -0.002 0.000 1.230 515 I CA 0.905 62.204 61.300 -0.001 0.000 1.480 515 I CB -0.504 37.497 38.000 0.001 0.000 1.095 515 I HN 0.306 nan 8.210 nan 0.000 0.455 516 T N -2.403 112.150 114.554 -0.002 0.000 3.316 516 T HA 0.297 4.647 4.350 -0.000 0.000 0.253 516 T C 0.164 174.862 174.700 -0.004 0.000 0.995 516 T CA -0.410 61.688 62.100 -0.003 0.000 1.031 516 T CB -0.177 68.689 68.868 -0.002 0.000 1.125 516 T HN -0.112 nan 8.240 nan 0.000 0.539 517 T N 1.393 115.944 114.554 -0.005 0.000 2.841 517 T HA 0.464 4.814 4.350 -0.000 0.000 0.283 517 T C 0.244 174.944 174.700 -0.000 0.000 1.000 517 T CA -0.647 61.451 62.100 -0.004 0.000 0.977 517 T CB 2.173 71.035 68.868 -0.011 0.000 0.979 517 T HN 0.102 nan 8.240 nan 0.000 0.446 518 E N 0.318 120.525 120.200 0.011 0.000 2.541 518 E HA 0.194 4.544 4.350 -0.000 0.000 0.219 518 E C -0.075 176.599 176.600 0.123 0.000 0.922 518 E CA 0.100 56.519 56.400 0.031 0.000 1.095 518 E CB 0.942 30.633 29.700 -0.015 0.000 1.112 518 E HN 0.546 nan 8.360 nan 0.000 0.516 519 C N 0.977 120.348 119.300 0.118 0.000 2.686 519 C HA 0.685 5.145 4.460 -0.000 0.000 0.318 519 C C -1.309 173.706 174.990 0.042 0.000 1.160 519 C CA -0.565 58.589 59.018 0.227 0.000 1.396 519 C CB 0.365 28.319 27.740 0.357 0.000 1.924 519 C HN 0.111 nan 8.230 nan 0.000 0.471 520 M N 5.251 124.799 119.600 -0.086 0.000 2.395 520 M HA 0.572 5.052 4.480 -0.000 0.000 0.307 520 M C -1.181 175.061 176.300 -0.097 0.000 1.091 520 M CA -0.640 54.557 55.300 -0.172 0.000 0.919 520 M CB 2.146 34.469 32.600 -0.461 0.000 1.662 520 M HN 0.348 nan 8.290 nan 0.000 0.440 521 V N 1.647 121.581 119.914 0.034 0.000 2.419 521 V HA 0.516 4.636 4.120 -0.000 0.000 0.287 521 V C -0.390 175.791 176.094 0.145 0.000 1.017 521 V CA -0.309 62.049 62.300 0.097 0.000 0.844 521 V CB 1.753 33.616 31.823 0.066 0.000 1.011 521 V HN 0.975 nan 8.190 nan 0.000 0.429 522 T N 2.394 117.077 114.554 0.214 0.000 2.887 522 T HA 0.486 4.836 4.350 -0.000 0.000 0.292 522 T C -0.527 174.191 174.700 0.030 0.000 1.087 522 T CA -0.470 61.705 62.100 0.125 0.000 1.009 522 T CB 1.789 70.743 68.868 0.145 0.000 1.203 522 T HN 0.629 nan 8.240 nan 0.000 0.518 523 D N 0.936 121.332 120.400 -0.008 0.000 2.354 523 D HA 0.300 4.940 4.640 -0.000 0.000 0.238 523 D C -0.261 175.995 176.300 -0.074 0.000 1.250 523 D CA -0.041 53.940 54.000 -0.031 0.000 0.911 523 D CB 0.262 41.044 40.800 -0.030 0.000 1.163 523 D HN 0.186 nan 8.370 nan 0.000 0.456 524 L N 2.243 123.428 121.223 -0.064 0.000 2.350 524 L HA 0.281 4.621 4.340 -0.000 0.000 0.275 524 L C -1.777 175.039 176.870 -0.090 0.000 1.099 524 L CA -1.895 52.895 54.840 -0.083 0.000 0.808 524 L CB 0.820 42.846 42.059 -0.055 0.000 1.149 524 L HN 0.311 nan 8.230 nan 0.000 0.442 525 P HA -0.059 nan 4.420 nan 0.000 0.311 525 P C -0.843 176.416 177.300 -0.068 0.000 1.543 525 P CA 0.746 63.785 63.100 -0.101 0.000 0.766 525 P CB -0.229 31.402 31.700 -0.115 0.000 1.711 526 K N 0.000 120.366 120.400 -0.057 0.000 2.780 526 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 526 K CA 0.000 56.262 56.287 -0.042 0.000 0.838 526 K CB 0.000 32.478 32.500 -0.036 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543