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 3fbh_1_L 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 KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNKDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP 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 0.000 177.582 177.584 -0.003 0.000 1.274 2 A CA 0.000 52.034 52.037 -0.006 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 A N 2.335 125.154 122.820 -0.001 0.000 2.404 3 A HA 0.577 4.897 4.320 -0.000 0.000 0.273 3 A C 0.037 177.623 177.584 0.003 0.000 1.144 3 A CA 0.028 52.069 52.037 0.005 0.000 0.806 3 A CB -0.044 18.961 19.000 0.009 0.000 1.080 3 A HN 0.510 nan 8.150 nan 0.000 0.509 4 K N 2.559 122.964 120.400 0.008 0.000 2.206 4 K HA 0.251 4.571 4.320 -0.000 0.000 0.264 4 K C -1.215 175.403 176.600 0.030 0.000 0.967 4 K CA -0.568 55.721 56.287 0.003 0.000 0.844 4 K CB 1.964 34.463 32.500 -0.002 0.000 1.099 4 K HN 0.765 nan 8.250 nan 0.000 0.441 5 D N 2.444 122.866 120.400 0.037 0.000 2.280 5 D HA 0.194 4.834 4.640 -0.000 0.000 0.243 5 D C -0.776 175.649 176.300 0.209 0.000 1.129 5 D CA -0.429 53.647 54.000 0.126 0.000 0.848 5 D CB 0.865 41.775 40.800 0.183 0.000 1.107 5 D HN 0.059 nan 8.370 nan 0.000 0.471 6 V N 4.370 124.377 119.914 0.155 0.000 2.547 6 V HA 0.516 4.636 4.120 -0.000 0.000 0.299 6 V C 0.339 176.408 176.094 -0.043 0.000 1.040 6 V CA -0.735 61.586 62.300 0.036 0.000 0.913 6 V CB 1.662 33.462 31.823 -0.039 0.000 0.992 6 V HN 0.447 nan 8.190 nan 0.000 0.449 7 K N 2.815 123.063 120.400 -0.252 0.000 2.435 7 K HA 0.753 5.072 4.320 -0.000 0.000 0.251 7 K C -1.633 174.666 176.600 -0.501 0.000 0.954 7 K CA -0.534 55.560 56.287 -0.321 0.000 0.820 7 K CB 2.612 34.782 32.500 -0.549 0.000 1.292 7 K HN 0.464 nan 8.250 nan 0.000 0.436 8 F N -0.406 119.510 119.950 -0.058 0.000 2.654 8 F HA 0.477 5.004 4.527 -0.000 0.000 0.334 8 F C 1.259 177.038 175.800 -0.036 0.000 1.078 8 F CA -0.057 57.928 58.000 -0.026 0.000 0.986 8 F CB 1.363 40.355 39.000 -0.014 0.000 1.362 8 F HN 0.795 nan 8.300 nan 0.000 0.498 9 G N 1.285 110.201 108.800 0.194 0.000 2.632 9 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.322 9 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.322 9 G C 1.154 176.079 174.900 0.043 0.000 1.326 9 G CA 0.841 46.000 45.100 0.099 0.000 0.986 9 G HN 0.823 nan 8.290 nan 0.000 0.541 10 N N 0.420 119.137 118.700 0.028 0.000 2.036 10 N HA -0.198 4.542 4.740 -0.000 0.000 0.195 10 N C 1.901 177.403 175.510 -0.013 0.000 1.037 10 N CA 2.460 55.514 53.050 0.007 0.000 0.855 10 N CB -0.493 37.997 38.487 0.004 0.000 1.033 10 N HN 0.587 nan 8.380 nan 0.000 0.423 11 D N 0.112 120.499 120.400 -0.021 0.000 2.200 11 D HA -0.176 4.464 4.640 -0.000 0.000 0.192 11 D C 1.676 177.909 176.300 -0.112 0.000 1.008 11 D CA 1.807 55.769 54.000 -0.063 0.000 0.872 11 D CB -0.375 40.386 40.800 -0.066 0.000 0.923 11 D HN 0.460 nan 8.370 nan 0.000 0.447 12 A N -0.168 122.592 122.820 -0.099 0.000 1.930 12 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 12 A C 2.269 179.830 177.584 -0.038 0.000 1.176 12 A CA 1.027 52.997 52.037 -0.111 0.000 0.632 12 A CB -0.255 18.696 19.000 -0.083 0.000 0.819 12 A HN 0.185 nan 8.150 nan 0.000 0.445 13 R N -0.070 120.420 120.500 -0.018 0.000 2.075 13 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 13 R C 2.168 178.467 176.300 -0.002 0.000 1.126 13 R CA 1.617 57.717 56.100 0.000 0.000 0.963 13 R CB -0.839 29.464 30.300 0.005 0.000 0.858 13 R HN 0.558 nan 8.270 nan 0.000 0.435 14 V N 0.149 120.054 119.914 -0.014 0.000 2.332 14 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 14 V C 2.013 178.104 176.094 -0.005 0.000 1.055 14 V CA 1.595 63.888 62.300 -0.012 0.000 1.038 14 V CB -0.514 31.297 31.823 -0.020 0.000 0.651 14 V HN 0.117 nan 8.190 nan 0.000 0.450 15 K N -0.120 120.273 120.400 -0.012 0.000 2.057 15 K HA -0.006 4.314 4.320 -0.000 0.000 0.207 15 K C 2.273 178.903 176.600 0.051 0.000 1.049 15 K CA 1.968 58.267 56.287 0.020 0.000 0.931 15 K CB -0.513 31.999 32.500 0.020 0.000 0.714 15 K HN 0.523 nan 8.250 nan 0.000 0.440 16 M N 0.423 120.053 119.600 0.051 0.000 2.080 16 M HA -0.213 4.267 4.480 -0.000 0.000 0.260 16 M C 2.278 178.595 176.300 0.029 0.000 1.068 16 M CA 1.324 56.652 55.300 0.046 0.000 1.109 16 M CB -0.384 32.240 32.600 0.040 0.000 1.342 16 M HN 0.046 nan 8.290 nan 0.000 0.405 17 L N 0.383 121.618 121.223 0.020 0.000 2.017 17 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 17 L C 2.441 179.319 176.870 0.014 0.000 1.073 17 L CA 1.896 56.745 54.840 0.015 0.000 0.745 17 L CB -0.749 41.316 42.059 0.010 0.000 0.894 17 L HN 0.142 nan 8.230 nan 0.000 0.432 18 R N -0.074 120.434 120.500 0.014 0.000 2.119 18 R HA -0.148 4.192 4.340 -0.000 0.000 0.246 18 R C 2.171 178.481 176.300 0.017 0.000 1.146 18 R CA 1.893 58.002 56.100 0.014 0.000 0.962 18 R CB -1.320 28.990 30.300 0.016 0.000 0.863 18 R HN 0.508 nan 8.270 nan 0.000 0.442 19 G N -0.366 108.448 108.800 0.023 0.000 2.433 19 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 19 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 19 G C 1.404 176.312 174.900 0.013 0.000 1.186 19 G CA 1.243 46.356 45.100 0.021 0.000 0.779 19 G HN 0.402 nan 8.290 nan 0.000 0.543 20 V N -0.625 119.297 119.914 0.013 0.000 2.913 20 V HA -0.053 4.067 4.120 -0.000 0.000 0.260 20 V C 2.121 178.219 176.094 0.007 0.000 1.098 20 V CA 1.879 64.184 62.300 0.009 0.000 1.121 20 V CB -0.478 31.352 31.823 0.011 0.000 0.714 20 V HN 0.181 nan 8.190 nan 0.000 0.487 21 N N 1.313 120.017 118.700 0.008 0.000 2.109 21 N HA -0.056 4.684 4.740 -0.000 0.000 0.188 21 N C 1.894 177.407 175.510 0.004 0.000 1.034 21 N CA 1.874 54.927 53.050 0.006 0.000 0.846 21 N CB -0.579 37.911 38.487 0.006 0.000 1.010 21 N HN 0.486 nan 8.380 nan 0.000 0.425 22 V N 2.046 121.963 119.914 0.004 0.000 2.282 22 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 22 V C 2.464 178.558 176.094 -0.000 0.000 1.057 22 V CA 1.411 63.712 62.300 0.002 0.000 1.032 22 V CB -0.724 31.101 31.823 0.003 0.000 0.645 22 V HN 0.195 nan 8.190 nan 0.000 0.447 23 L N 0.817 122.040 121.223 -0.000 0.000 1.994 23 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 23 L C 2.491 179.360 176.870 -0.003 0.000 1.071 23 L CA 2.439 57.277 54.840 -0.003 0.000 0.745 23 L CB -1.089 40.968 42.059 -0.004 0.000 0.892 23 L HN 0.210 nan 8.230 nan 0.000 0.431 24 A N -0.531 122.289 122.820 -0.000 0.000 1.865 24 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 24 A C 1.996 179.580 177.584 -0.000 0.000 1.191 24 A CA 2.142 54.179 52.037 0.001 0.000 0.623 24 A CB -1.045 17.956 19.000 0.003 0.000 0.826 24 A HN 0.588 nan 8.150 nan 0.000 0.444 25 D N -0.083 120.317 120.400 0.000 0.000 2.178 25 D HA 0.023 4.663 4.640 -0.000 0.000 0.202 25 D C 2.111 178.410 176.300 -0.002 0.000 0.974 25 D CA 1.331 55.331 54.000 -0.000 0.000 0.841 25 D CB -0.482 40.318 40.800 0.000 0.000 0.953 25 D HN 0.444 nan 8.370 nan 0.000 0.478 26 A N 0.319 123.137 122.820 -0.003 0.000 2.019 26 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 26 A C 2.266 179.847 177.584 -0.005 0.000 1.164 26 A CA 1.077 53.111 52.037 -0.004 0.000 0.644 26 A CB -0.129 18.868 19.000 -0.006 0.000 0.805 26 A HN 0.189 nan 8.150 nan 0.000 0.449 27 V N 0.023 119.934 119.914 -0.005 0.000 3.379 27 V HA -0.070 4.050 4.120 -0.000 0.000 0.249 27 V C 2.251 178.343 176.094 -0.004 0.000 1.184 27 V CA 1.216 63.513 62.300 -0.006 0.000 1.106 27 V CB -0.029 31.790 31.823 -0.007 0.000 0.826 27 V HN 0.792 nan 8.190 nan 0.000 0.465 28 K N 1.869 122.268 120.400 -0.002 0.000 2.148 28 K HA -0.113 4.206 4.320 -0.000 0.000 0.204 28 K C 1.892 178.492 176.600 -0.001 0.000 1.050 28 K CA 1.911 58.198 56.287 -0.001 0.000 0.942 28 K CB -0.759 31.742 32.500 0.000 0.000 0.724 28 K HN 0.448 nan 8.250 nan 0.000 0.446 29 V N 0.533 120.446 119.914 -0.002 0.000 2.720 29 V HA -0.171 3.949 4.120 -0.000 0.000 0.256 29 V C 2.307 178.400 176.094 -0.002 0.000 1.082 29 V CA 1.917 64.216 62.300 -0.001 0.000 1.101 29 V CB -1.364 30.458 31.823 -0.002 0.000 0.693 29 V HN 0.583 nan 8.190 nan 0.000 0.479 30 T N -2.352 112.200 114.554 -0.003 0.000 3.100 30 T HA 0.225 4.575 4.350 -0.000 0.000 0.253 30 T C 0.563 175.261 174.700 -0.003 0.000 1.118 30 T CA -0.022 62.075 62.100 -0.004 0.000 1.058 30 T CB -0.216 68.649 68.868 -0.006 0.000 0.953 30 T HN 0.368 nan 8.240 nan 0.000 0.515 31 L N 2.303 123.525 121.223 -0.002 0.000 2.380 31 L HA 0.581 4.921 4.340 -0.000 0.000 0.273 31 L C 0.773 177.643 176.870 0.000 0.000 1.138 31 L CA 1.575 56.415 54.840 -0.001 0.000 0.832 31 L CB -0.123 41.936 42.059 0.001 0.000 1.124 31 L HN 0.678 nan 8.230 nan 0.000 0.454 32 G N 4.102 112.901 108.800 -0.002 0.000 2.549 32 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.404 32 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.404 32 G C -2.225 172.671 174.900 -0.006 0.000 1.292 32 G CA -0.318 44.781 45.100 -0.002 0.000 0.935 32 G HN 0.495 nan 8.290 nan 0.000 0.512 33 P HA 0.171 nan 4.420 nan 0.000 0.224 33 P C 0.917 178.212 177.300 -0.009 0.000 1.157 33 P CA 0.922 64.013 63.100 -0.015 0.000 0.799 33 P CB 0.202 31.886 31.700 -0.026 0.000 0.809 34 K N 0.684 121.082 120.400 -0.003 0.000 3.101 34 K HA 0.322 4.642 4.320 -0.000 0.000 0.229 34 K C 0.691 177.292 176.600 0.002 0.000 1.232 34 K CA -0.117 56.171 56.287 0.001 0.000 1.210 34 K CB 0.100 32.606 32.500 0.009 0.000 1.284 34 K HN 0.043 nan 8.250 nan 0.000 0.448 35 G N 0.945 109.745 108.800 -0.001 0.000 2.467 35 G HA2 0.219 4.179 3.960 -0.000 0.000 0.257 35 G HA3 0.219 4.179 3.960 -0.000 0.000 0.257 35 G C 0.024 174.923 174.900 -0.002 0.000 1.227 35 G CA -0.500 44.599 45.100 -0.001 0.000 0.835 35 G HN 0.123 nan 8.290 nan 0.000 0.556 36 R N 0.630 121.129 120.500 -0.002 0.000 2.536 36 R HA 0.196 4.536 4.340 -0.000 0.000 0.279 36 R C -0.260 176.038 176.300 -0.003 0.000 1.001 36 R CA -0.689 55.410 56.100 -0.002 0.000 1.027 36 R CB 1.017 31.316 30.300 -0.001 0.000 1.096 36 R HN 0.609 nan 8.270 nan 0.000 0.502 37 N N -0.272 118.427 118.700 -0.003 0.000 2.458 37 N HA 0.182 4.922 4.740 -0.000 0.000 0.270 37 N C -0.869 174.639 175.510 -0.003 0.000 1.102 37 N CA -0.216 52.832 53.050 -0.003 0.000 0.967 37 N CB 1.263 39.749 38.487 -0.003 0.000 1.078 37 N HN 0.113 nan 8.380 nan 0.000 0.471 38 V N 3.016 122.927 119.914 -0.004 0.000 2.384 38 V HA 0.240 4.360 4.120 -0.000 0.000 0.287 38 V C -0.196 175.895 176.094 -0.005 0.000 1.020 38 V CA -0.819 61.478 62.300 -0.005 0.000 0.850 38 V CB 1.622 33.441 31.823 -0.006 0.000 0.987 38 V HN 0.364 nan 8.190 nan 0.000 0.436 39 V N 7.086 126.997 119.914 -0.005 0.000 2.339 39 V HA 0.321 4.441 4.120 -0.000 0.000 0.261 39 V C 0.077 176.167 176.094 -0.007 0.000 1.058 39 V CA -0.274 62.023 62.300 -0.005 0.000 0.897 39 V CB 0.565 32.385 31.823 -0.005 0.000 1.052 39 V HN 0.597 nan 8.190 nan 0.000 0.480 40 L N 3.941 125.160 121.223 -0.007 0.000 2.290 40 L HA 0.438 4.778 4.340 -0.000 0.000 0.284 40 L C 0.163 177.028 176.870 -0.009 0.000 1.078 40 L CA -0.264 54.571 54.840 -0.009 0.000 0.815 40 L CB 1.000 43.053 42.059 -0.008 0.000 1.162 40 L HN 0.505 nan 8.230 nan 0.000 0.435 41 D N 3.371 123.763 120.400 -0.013 0.000 2.264 41 D HA 0.226 4.866 4.640 -0.000 0.000 0.250 41 D C -0.509 175.779 176.300 -0.020 0.000 1.113 41 D CA -0.121 53.869 54.000 -0.017 0.000 0.871 41 D CB 0.886 41.671 40.800 -0.025 0.000 1.167 41 D HN 0.294 nan 8.370 nan 0.000 0.447 42 K N 1.273 121.664 120.400 -0.015 0.000 2.123 42 K HA 0.233 4.553 4.320 -0.000 0.000 0.259 42 K C 1.226 177.790 176.600 -0.060 0.000 0.960 42 K CA -0.540 55.739 56.287 -0.012 0.000 0.872 42 K CB 1.503 34.022 32.500 0.032 0.000 1.079 42 K HN 0.430 nan 8.250 nan 0.000 0.440 43 S N 1.456 117.076 115.700 -0.133 0.000 2.382 43 S HA -0.087 4.383 4.470 -0.000 0.000 0.228 43 S C 0.429 174.762 174.600 -0.444 0.000 1.027 43 S CA 0.861 58.858 58.200 -0.338 0.000 0.991 43 S CB -0.275 62.616 63.200 -0.514 0.000 0.823 43 S HN 0.385 nan 8.310 nan 0.000 0.469 44 F N 2.264 122.211 119.950 -0.005 0.000 2.427 44 F HA 0.670 5.197 4.527 -0.000 0.000 0.346 44 F C 1.252 177.049 175.800 -0.005 0.000 1.120 44 F CA 0.059 58.056 58.000 -0.005 0.000 1.033 44 F CB 1.253 40.251 39.000 -0.005 0.000 1.126 44 F HN 0.447 nan 8.300 nan 0.000 0.462 45 G N 1.469 110.368 108.800 0.165 0.000 2.488 45 G HA2 0.153 4.113 3.960 -0.000 0.000 0.237 45 G HA3 0.153 4.113 3.960 -0.000 0.000 0.237 45 G C -0.660 174.271 174.900 0.051 0.000 1.209 45 G CA -0.440 44.718 45.100 0.096 0.000 0.929 45 G HN 1.096 nan 8.290 nan 0.000 0.578 46 A N 0.708 123.552 122.820 0.039 0.000 2.256 46 A HA 0.868 5.188 4.320 -0.000 0.000 0.318 46 A C -2.350 175.246 177.584 0.020 0.000 1.103 46 A CA -0.572 51.478 52.037 0.023 0.000 0.860 46 A CB 0.655 19.666 19.000 0.017 0.000 1.182 46 A HN 0.739 nan 8.150 nan 0.000 0.501 47 P HA 0.327 nan 4.420 nan 0.000 0.287 47 P C -0.535 176.769 177.300 0.005 0.000 1.294 47 P CA -0.079 63.024 63.100 0.005 0.000 0.776 47 P CB 0.672 32.372 31.700 -0.001 0.000 0.889 48 T N 4.255 118.812 114.554 0.006 0.000 2.908 48 T HA 0.138 4.488 4.350 -0.000 0.000 0.301 48 T C 0.596 175.296 174.700 0.000 0.000 1.019 48 T CA 0.482 62.584 62.100 0.004 0.000 1.152 48 T CB -0.312 68.558 68.868 0.003 0.000 0.966 48 T HN 0.229 nan 8.240 nan 0.000 0.540 49 I N 2.703 123.272 120.570 -0.000 0.000 2.389 49 I HA 0.477 4.647 4.170 -0.000 0.000 0.288 49 I C 0.451 176.566 176.117 -0.003 0.000 0.999 49 I CA -0.492 60.807 61.300 -0.002 0.000 1.129 49 I CB 1.981 39.981 38.000 -0.001 0.000 1.288 49 I HN 0.545 nan 8.210 nan 0.000 0.444 50 T N 4.264 118.815 114.554 -0.004 0.000 2.864 50 T HA 0.465 4.815 4.350 -0.000 0.000 0.299 50 T C -0.274 174.422 174.700 -0.006 0.000 1.166 50 T CA -0.559 61.538 62.100 -0.006 0.000 1.007 50 T CB 1.644 70.507 68.868 -0.007 0.000 1.219 50 T HN 0.659 nan 8.240 nan 0.000 0.506 51 K N 1.380 121.776 120.400 -0.007 0.000 2.619 51 K HA 0.241 4.561 4.320 -0.000 0.000 0.201 51 K C -0.987 175.608 176.600 -0.008 0.000 1.090 51 K CA -0.408 55.875 56.287 -0.007 0.000 1.063 51 K CB 0.634 33.130 32.500 -0.006 0.000 0.810 51 K HN 0.406 nan 8.250 nan 0.000 0.506 52 D N -0.196 120.198 120.400 -0.010 0.000 2.232 52 D HA 0.163 4.803 4.640 -0.000 0.000 0.242 52 D C 1.094 177.386 176.300 -0.013 0.000 1.093 52 D CA -0.157 53.836 54.000 -0.012 0.000 0.845 52 D CB 1.571 42.363 40.800 -0.014 0.000 1.124 52 D HN 0.178 nan 8.370 nan 0.000 0.467 53 G N 2.100 110.892 108.800 -0.014 0.000 2.511 53 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.217 53 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.217 53 G C 1.321 176.210 174.900 -0.018 0.000 1.133 53 G CA 0.440 45.531 45.100 -0.014 0.000 0.792 53 G HN 0.461 nan 8.290 nan 0.000 0.539 54 V N 0.885 120.786 119.914 -0.022 0.000 2.407 54 V HA -0.095 4.025 4.120 -0.000 0.000 0.245 54 V C 2.960 179.038 176.094 -0.026 0.000 1.041 54 V CA 1.926 64.209 62.300 -0.028 0.000 1.040 54 V CB -0.393 31.409 31.823 -0.035 0.000 0.671 54 V HN 0.302 nan 8.190 nan 0.000 0.455 55 S N 0.284 115.970 115.700 -0.023 0.000 2.399 55 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 55 S C 1.986 176.575 174.600 -0.019 0.000 1.022 55 S CA 1.404 59.591 58.200 -0.021 0.000 0.983 55 S CB -0.114 63.076 63.200 -0.017 0.000 0.803 55 S HN 0.394 nan 8.310 nan 0.000 0.480 56 V N 1.678 121.582 119.914 -0.017 0.000 2.407 56 V HA -0.050 4.070 4.120 -0.000 0.000 0.245 56 V C 2.567 178.651 176.094 -0.017 0.000 1.041 56 V CA 1.502 63.793 62.300 -0.015 0.000 1.040 56 V CB -1.077 30.739 31.823 -0.012 0.000 0.671 56 V HN 0.519 nan 8.190 nan 0.000 0.455 57 A N -0.335 122.474 122.820 -0.019 0.000 2.121 57 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 57 A C 2.370 179.940 177.584 -0.024 0.000 1.154 57 A CA 1.480 53.505 52.037 -0.020 0.000 0.679 57 A CB -0.537 18.450 19.000 -0.022 0.000 0.795 57 A HN 0.452 nan 8.150 nan 0.000 0.458 58 R N -0.085 120.400 120.500 -0.025 0.000 2.075 58 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 58 R C 0.731 177.015 176.300 -0.026 0.000 1.126 58 R CA 1.325 57.408 56.100 -0.028 0.000 0.963 58 R CB -0.052 30.230 30.300 -0.030 0.000 0.858 58 R HN 0.407 nan 8.270 nan 0.000 0.435 59 E N 0.625 120.811 120.200 -0.022 0.000 2.359 59 E HA 0.042 4.392 4.350 -0.000 0.000 0.187 59 E C -0.342 176.247 176.600 -0.019 0.000 1.081 59 E CA 0.088 56.475 56.400 -0.020 0.000 0.929 59 E CB 0.362 30.051 29.700 -0.018 0.000 1.086 59 E HN 0.238 nan 8.360 nan 0.000 0.462 60 I N 1.519 122.077 120.570 -0.019 0.000 2.304 60 I HA 0.256 4.426 4.170 -0.000 0.000 0.291 60 I C 0.166 176.272 176.117 -0.017 0.000 1.018 60 I CA -0.136 61.154 61.300 -0.016 0.000 1.260 60 I CB 0.707 38.698 38.000 -0.014 0.000 1.390 60 I HN -0.048 nan 8.210 nan 0.000 0.475 61 E N 6.793 126.983 120.200 -0.016 0.000 2.307 61 E HA 0.481 4.831 4.350 -0.000 0.000 0.280 61 E C -1.619 174.972 176.600 -0.014 0.000 0.900 61 E CA -0.513 55.877 56.400 -0.017 0.000 0.790 61 E CB 2.002 31.690 29.700 -0.020 0.000 1.261 61 E HN 0.446 nan 8.360 nan 0.000 0.405 62 L N 3.002 124.217 121.223 -0.012 0.000 2.352 62 L HA 0.395 4.735 4.340 -0.000 0.000 0.269 62 L C 1.485 178.349 176.870 -0.009 0.000 1.034 62 L CA -0.419 54.417 54.840 -0.006 0.000 0.806 62 L CB 1.336 43.395 42.059 0.001 0.000 1.244 62 L HN 0.707 nan 8.230 nan 0.000 0.447 63 E N 0.289 120.487 120.200 -0.004 0.000 2.086 63 E HA -0.120 4.230 4.350 -0.000 0.000 0.190 63 E C 0.333 176.934 176.600 0.002 0.000 0.975 63 E CA 0.108 56.506 56.400 -0.004 0.000 0.813 63 E CB 0.345 30.044 29.700 -0.001 0.000 0.768 63 E HN 0.637 nan 8.360 nan 0.000 0.457 64 D N 1.370 121.782 120.400 0.020 0.000 2.412 64 D HA -0.073 4.567 4.640 -0.000 0.000 0.257 64 D C 0.857 177.172 176.300 0.025 0.000 1.217 64 D CA 0.095 54.124 54.000 0.049 0.000 0.897 64 D CB 0.886 41.733 40.800 0.078 0.000 1.132 64 D HN 0.018 nan 8.370 nan 0.000 0.493 65 K N 3.559 123.946 120.400 -0.022 0.000 2.044 65 K HA -0.196 4.124 4.320 -0.000 0.000 0.210 65 K C 1.961 178.452 176.600 -0.182 0.000 1.049 65 K CA 1.313 57.507 56.287 -0.156 0.000 0.927 65 K CB -0.392 31.926 32.500 -0.302 0.000 0.713 65 K HN 0.522 nan 8.250 nan 0.000 0.443 66 F N 1.584 121.520 119.950 -0.024 0.000 2.234 66 F HA -0.101 4.426 4.527 -0.000 0.000 0.299 66 F C 2.343 178.130 175.800 -0.022 0.000 1.087 66 F CA 1.100 59.083 58.000 -0.027 0.000 1.340 66 F CB -0.224 38.758 39.000 -0.030 0.000 1.031 66 F HN 0.160 nan 8.300 nan 0.000 0.500 67 E N -0.252 120.037 120.200 0.149 0.000 2.076 67 E HA -0.178 4.172 4.350 -0.000 0.000 0.190 67 E C 1.830 178.451 176.600 0.035 0.000 0.979 67 E CA 0.845 57.292 56.400 0.078 0.000 0.807 67 E CB -0.257 29.480 29.700 0.061 0.000 0.761 67 E HN 0.236 nan 8.360 nan 0.000 0.454 68 N N 1.019 119.726 118.700 0.012 0.000 2.069 68 N HA -0.180 4.560 4.740 -0.000 0.000 0.191 68 N C 1.740 177.239 175.510 -0.018 0.000 1.031 68 N CA 1.385 54.428 53.050 -0.013 0.000 0.852 68 N CB -0.049 38.418 38.487 -0.032 0.000 1.018 68 N HN 0.071 nan 8.380 nan 0.000 0.423 69 M N -0.635 118.948 119.600 -0.028 0.000 2.082 69 M HA -0.144 4.336 4.480 -0.000 0.000 0.258 69 M C 2.121 178.422 176.300 0.003 0.000 1.069 69 M CA 1.981 57.265 55.300 -0.026 0.000 1.102 69 M CB -0.742 31.836 32.600 -0.037 0.000 1.336 69 M HN 0.349 nan 8.290 nan 0.000 0.404 70 G N -0.647 108.168 108.800 0.025 0.000 2.418 70 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.217 70 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.217 70 G C 1.541 176.448 174.900 0.012 0.000 1.158 70 G CA 1.038 46.154 45.100 0.025 0.000 0.771 70 G HN 0.570 nan 8.290 nan 0.000 0.545 71 A N 0.071 122.895 122.820 0.007 0.000 1.872 71 A HA 0.012 4.332 4.320 -0.000 0.000 0.214 71 A C 2.373 179.953 177.584 -0.008 0.000 1.187 71 A CA 1.657 53.694 52.037 -0.000 0.000 0.614 71 A CB -0.334 18.665 19.000 -0.002 0.000 0.826 71 A HN 0.301 nan 8.150 nan 0.000 0.442 72 Q N -0.631 119.162 119.800 -0.013 0.000 2.224 72 Q HA -0.094 4.246 4.340 -0.000 0.000 0.203 72 Q C 2.064 178.053 176.000 -0.018 0.000 0.970 72 Q CA 1.138 56.930 55.803 -0.019 0.000 0.865 72 Q CB -0.466 28.258 28.738 -0.024 0.000 0.922 72 Q HN 0.737 nan 8.270 nan 0.000 0.445 73 M N 0.234 119.828 119.600 -0.011 0.000 2.080 73 M HA -0.175 4.305 4.480 -0.000 0.000 0.260 73 M C 2.263 178.560 176.300 -0.006 0.000 1.068 73 M CA 1.760 57.056 55.300 -0.006 0.000 1.109 73 M CB -0.228 32.374 32.600 0.003 0.000 1.342 73 M HN 0.188 nan 8.290 nan 0.000 0.405 74 V N -2.866 117.045 119.914 -0.004 0.000 2.599 74 V HA -0.103 4.017 4.120 -0.000 0.000 0.245 74 V C 2.073 178.156 176.094 -0.019 0.000 1.046 74 V CA 1.286 63.583 62.300 -0.004 0.000 1.065 74 V CB -0.987 30.838 31.823 0.004 0.000 0.703 74 V HN 0.390 nan 8.190 nan 0.000 0.464 75 K N 0.748 121.135 120.400 -0.022 0.000 2.034 75 K HA -0.325 3.995 4.320 -0.000 0.000 0.214 75 K C 2.381 178.952 176.600 -0.049 0.000 1.051 75 K CA 2.513 58.781 56.287 -0.032 0.000 0.931 75 K CB -0.328 32.156 32.500 -0.028 0.000 0.715 75 K HN 0.692 nan 8.250 nan 0.000 0.446 76 E N -0.028 120.143 120.200 -0.048 0.000 2.110 76 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 76 E C 1.588 178.124 176.600 -0.106 0.000 0.988 76 E CA 1.280 57.641 56.400 -0.066 0.000 0.804 76 E CB 0.237 29.907 29.700 -0.049 0.000 0.745 76 E HN 0.200 nan 8.360 nan 0.000 0.458 77 V N 0.555 120.412 119.914 -0.094 0.000 3.541 77 V HA 0.030 4.150 4.120 -0.000 0.000 0.267 77 V C 2.014 177.997 176.094 -0.186 0.000 1.213 77 V CA 0.975 63.184 62.300 -0.152 0.000 1.149 77 V CB 0.239 32.047 31.823 -0.025 0.000 0.822 77 V HN 0.305 nan 8.190 nan 0.000 0.462 78 A N 0.928 123.682 122.820 -0.109 0.000 1.975 78 A HA -0.089 4.231 4.320 -0.000 0.000 0.215 78 A C 2.428 179.940 177.584 -0.120 0.000 1.170 78 A CA 1.523 53.510 52.037 -0.083 0.000 0.656 78 A CB -0.403 18.572 19.000 -0.042 0.000 0.821 78 A HN 0.623 nan 8.150 nan 0.000 0.449 79 S N -0.216 115.404 115.700 -0.133 0.000 2.522 79 S HA -0.013 4.457 4.470 -0.000 0.000 0.227 79 S C 1.514 176.002 174.600 -0.185 0.000 0.986 79 S CA 0.967 59.090 58.200 -0.129 0.000 0.929 79 S CB -0.258 62.886 63.200 -0.095 0.000 0.769 79 S HN 0.568 nan 8.310 nan 0.000 0.529 80 K N 1.026 121.230 120.400 -0.326 0.000 2.366 80 K HA 0.252 4.572 4.320 -0.000 0.000 0.198 80 K C 2.138 178.489 176.600 -0.416 0.000 1.044 80 K CA 0.782 56.786 56.287 -0.472 0.000 0.973 80 K CB -0.226 31.754 32.500 -0.867 0.000 0.767 80 K HN 0.508 nan 8.250 nan 0.000 0.475 81 A N 1.028 123.672 122.820 -0.294 0.000 2.072 81 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 81 A C 1.704 179.285 177.584 -0.004 0.000 1.156 81 A CA 1.131 53.164 52.037 -0.007 0.000 0.701 81 A CB -0.287 18.757 19.000 0.074 0.000 0.816 81 A HN 0.260 nan 8.150 nan 0.000 0.458 82 N N -0.748 117.915 118.700 -0.062 0.000 2.409 82 N HA -0.049 4.691 4.740 -0.000 0.000 0.174 82 N C 0.976 176.434 175.510 -0.086 0.000 1.037 82 N CA 0.601 53.611 53.050 -0.066 0.000 0.898 82 N CB 0.130 38.572 38.487 -0.076 0.000 1.010 82 N HN 0.237 nan 8.380 nan 0.000 0.445 83 D N 0.170 120.524 120.400 -0.076 0.000 2.097 83 D HA -0.059 4.581 4.640 -0.000 0.000 0.197 83 D C 1.711 178.014 176.300 0.006 0.000 0.984 83 D CA 1.166 55.133 54.000 -0.055 0.000 0.826 83 D CB -0.296 40.468 40.800 -0.060 0.000 0.973 83 D HN 0.347 nan 8.370 nan 0.000 0.460 84 A N 0.163 123.005 122.820 0.037 0.000 1.970 84 A HA 0.226 4.546 4.320 -0.000 0.000 0.216 84 A C 2.062 179.708 177.584 0.105 0.000 1.170 84 A CA 1.831 53.924 52.037 0.094 0.000 0.645 84 A CB -0.113 18.978 19.000 0.150 0.000 0.816 84 A HN 0.239 nan 8.150 nan 0.000 0.447 85 A N -2.978 119.889 122.820 0.079 0.000 1.984 85 A HA 0.468 4.788 4.320 -0.000 0.000 0.203 85 A C 1.887 179.511 177.584 0.066 0.000 1.292 85 A CA 1.243 53.330 52.037 0.082 0.000 0.782 85 A CB -0.200 18.840 19.000 0.067 0.000 0.924 85 A HN 1.729 nan 8.150 nan 0.000 0.475 86 G N -1.290 107.487 108.800 -0.038 0.000 2.259 86 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.217 86 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.217 86 G C -0.198 174.648 174.900 -0.089 0.000 1.001 86 G CA 0.449 45.454 45.100 -0.159 0.000 0.627 86 G HN 0.810 nan 8.290 nan 0.000 0.501 87 D N -1.417 118.964 120.400 -0.031 0.000 2.753 87 D HA 0.614 5.254 4.640 -0.000 0.000 0.224 87 D C 0.671 176.971 176.300 -0.001 0.000 1.213 87 D CA 0.801 54.790 54.000 -0.019 0.000 0.833 87 D CB 1.051 41.846 40.800 -0.008 0.000 1.607 87 D HN 1.230 nan 8.370 nan 0.000 0.463 88 G N 1.089 109.888 108.800 -0.003 0.000 2.559 88 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.202 88 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.202 88 G C 1.044 175.947 174.900 0.005 0.000 0.992 88 G CA 0.443 45.550 45.100 0.011 0.000 0.764 88 G HN 0.510 nan 8.290 nan 0.000 0.525 89 T N 1.411 115.957 114.554 -0.013 0.000 2.708 89 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 89 T C 2.566 177.260 174.700 -0.010 0.000 1.037 89 T CA 2.328 64.416 62.100 -0.020 0.000 1.146 89 T CB -0.474 68.375 68.868 -0.032 0.000 0.865 89 T HN 0.372 nan 8.240 nan 0.000 0.435 90 T N 1.841 116.390 114.554 -0.009 0.000 2.833 90 T HA -0.100 4.250 4.350 -0.000 0.000 0.269 90 T C 2.190 176.891 174.700 0.002 0.000 1.054 90 T CA 1.571 63.668 62.100 -0.005 0.000 1.135 90 T CB -0.555 68.309 68.868 -0.006 0.000 0.869 90 T HN 0.445 nan 8.240 nan 0.000 0.466 91 T N 1.895 116.453 114.554 0.006 0.000 2.781 91 T HA 0.199 4.549 4.350 -0.000 0.000 0.252 91 T C 2.555 177.267 174.700 0.019 0.000 1.039 91 T CA 0.765 62.873 62.100 0.013 0.000 1.147 91 T CB -0.724 68.154 68.868 0.017 0.000 0.865 91 T HN 0.381 nan 8.240 nan 0.000 0.423 92 A N 1.910 124.745 122.820 0.026 0.000 1.940 92 A HA -0.247 4.073 4.320 -0.000 0.000 0.221 92 A C 2.492 180.092 177.584 0.027 0.000 1.190 92 A CA 2.565 54.624 52.037 0.038 0.000 0.647 92 A CB -1.618 17.409 19.000 0.044 0.000 0.821 92 A HN 0.525 nan 8.150 nan 0.000 0.457 93 T N -0.038 114.524 114.554 0.014 0.000 2.674 93 T HA -0.154 4.196 4.350 -0.000 0.000 0.265 93 T C 1.961 176.667 174.700 0.011 0.000 1.039 93 T CA 2.350 64.456 62.100 0.009 0.000 1.150 93 T CB -1.016 67.852 68.868 0.001 0.000 0.864 93 T HN 0.768 nan 8.240 nan 0.000 0.427 94 V N 0.268 120.188 119.914 0.010 0.000 2.759 94 V HA 0.012 4.132 4.120 -0.000 0.000 0.256 94 V C 2.253 178.354 176.094 0.012 0.000 1.080 94 V CA 1.210 63.515 62.300 0.009 0.000 1.101 94 V CB -1.239 30.588 31.823 0.007 0.000 0.698 94 V HN 0.389 nan 8.190 nan 0.000 0.477 95 L N 0.804 122.037 121.223 0.016 0.000 2.023 95 L HA 0.026 4.366 4.340 -0.000 0.000 0.205 95 L C 3.084 179.966 176.870 0.020 0.000 1.073 95 L CA 1.628 56.479 54.840 0.019 0.000 0.745 95 L CB -0.975 41.098 42.059 0.024 0.000 0.900 95 L HN 0.370 nan 8.230 nan 0.000 0.435 96 A N -0.516 122.318 122.820 0.023 0.000 1.948 96 A HA -0.326 3.994 4.320 -0.000 0.000 0.220 96 A C 2.258 179.853 177.584 0.017 0.000 1.177 96 A CA 2.167 54.218 52.037 0.023 0.000 0.636 96 A CB -0.680 18.335 19.000 0.025 0.000 0.815 96 A HN 0.533 nan 8.150 nan 0.000 0.449 97 Q N -0.774 119.035 119.800 0.014 0.000 2.050 97 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 97 Q C 2.290 178.297 176.000 0.011 0.000 0.980 97 Q CA 1.532 57.342 55.803 0.011 0.000 0.840 97 Q CB -0.347 28.396 28.738 0.009 0.000 0.898 97 Q HN 0.633 nan 8.270 nan 0.000 0.424 98 A N 0.937 123.763 122.820 0.011 0.000 1.851 98 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 98 A C 1.989 179.579 177.584 0.010 0.000 1.195 98 A CA 1.754 53.797 52.037 0.010 0.000 0.622 98 A CB -0.886 18.120 19.000 0.010 0.000 0.831 98 A HN 0.466 nan 8.150 nan 0.000 0.444 99 I N -0.269 120.309 120.570 0.012 0.000 2.099 99 I HA -0.288 3.882 4.170 -0.000 0.000 0.239 99 I C 2.377 178.501 176.117 0.012 0.000 1.066 99 I CA 1.660 62.968 61.300 0.013 0.000 1.324 99 I CB -0.498 37.511 38.000 0.015 0.000 1.037 99 I HN 0.297 nan 8.210 nan 0.000 0.401 100 I N 0.406 120.984 120.570 0.014 0.000 2.208 100 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 100 I C 2.599 178.723 176.117 0.011 0.000 1.097 100 I CA 1.707 63.015 61.300 0.013 0.000 1.363 100 I CB -0.684 37.325 38.000 0.015 0.000 1.051 100 I HN 0.303 nan 8.210 nan 0.000 0.413 101 T N 0.084 114.644 114.554 0.010 0.000 2.708 101 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 101 T C 1.745 176.450 174.700 0.007 0.000 1.037 101 T CA 1.224 63.329 62.100 0.008 0.000 1.146 101 T CB -0.144 68.728 68.868 0.007 0.000 0.865 101 T HN 0.298 nan 8.240 nan 0.000 0.435 102 E N 0.379 120.583 120.200 0.008 0.000 2.371 102 E HA 0.092 4.442 4.350 -0.000 0.000 0.194 102 E C 2.349 178.953 176.600 0.007 0.000 1.012 102 E CA 0.435 56.839 56.400 0.007 0.000 0.860 102 E CB -0.351 29.353 29.700 0.007 0.000 0.811 102 E HN 0.566 nan 8.360 nan 0.000 0.502 103 G N 1.182 109.987 108.800 0.009 0.000 2.417 103 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.212 103 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.212 103 G C 1.700 176.605 174.900 0.009 0.000 1.187 103 G CA -0.005 45.100 45.100 0.009 0.000 0.804 103 G HN 0.134 nan 8.290 nan 0.000 0.534 104 L N 0.252 121.481 121.223 0.009 0.000 2.081 104 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 104 L C 2.945 179.819 176.870 0.007 0.000 1.080 104 L CA 1.396 56.241 54.840 0.009 0.000 0.754 104 L CB -0.325 41.739 42.059 0.008 0.000 0.893 104 L HN 0.217 nan 8.230 nan 0.000 0.433 105 K N -0.149 120.255 120.400 0.006 0.000 2.097 105 K HA -0.159 4.161 4.320 -0.000 0.000 0.206 105 K C 2.195 178.798 176.600 0.005 0.000 1.049 105 K CA 1.427 57.717 56.287 0.005 0.000 0.933 105 K CB -0.217 32.285 32.500 0.004 0.000 0.717 105 K HN 0.318 nan 8.250 nan 0.000 0.442 106 A N 0.731 123.555 122.820 0.006 0.000 1.968 106 A HA -0.059 4.261 4.320 -0.000 0.000 0.217 106 A C 2.295 179.883 177.584 0.006 0.000 1.169 106 A CA 0.976 53.016 52.037 0.006 0.000 0.638 106 A CB -0.304 18.700 19.000 0.006 0.000 0.812 106 A HN 0.046 nan 8.150 nan 0.000 0.446 107 V N -0.122 119.796 119.914 0.008 0.000 2.255 107 V HA -0.171 3.949 4.120 -0.000 0.000 0.243 107 V C 3.048 179.147 176.094 0.008 0.000 1.038 107 V CA 1.766 64.072 62.300 0.009 0.000 1.008 107 V CB -1.346 30.484 31.823 0.011 0.000 0.645 107 V HN 0.553 nan 8.190 nan 0.000 0.449 108 A N 0.173 122.997 122.820 0.007 0.000 1.986 108 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 108 A C 2.402 179.989 177.584 0.004 0.000 1.171 108 A CA 2.273 54.314 52.037 0.006 0.000 0.640 108 A CB -0.805 18.198 19.000 0.004 0.000 0.811 108 A HN 0.608 nan 8.150 nan 0.000 0.451 109 A N -1.766 121.057 122.820 0.004 0.000 1.883 109 A HA 0.266 4.586 4.320 -0.000 0.000 0.217 109 A C 2.013 179.599 177.584 0.003 0.000 1.186 109 A CA 2.228 54.267 52.037 0.003 0.000 0.624 109 A CB -0.787 18.215 19.000 0.003 0.000 0.822 109 A HN 1.860 nan 8.150 nan 0.000 0.444 110 G N -3.182 105.621 108.800 0.004 0.000 2.456 110 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.208 110 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.208 110 G C 0.025 174.928 174.900 0.005 0.000 1.004 110 G CA -0.004 45.099 45.100 0.004 0.000 0.791 110 G HN 0.271 nan 8.290 nan 0.000 0.537 111 M N 1.333 120.936 119.600 0.005 0.000 2.249 111 M HA 0.305 4.785 4.480 -0.000 0.000 0.351 111 M C 0.430 176.734 176.300 0.007 0.000 1.180 111 M CA -0.606 54.697 55.300 0.006 0.000 1.127 111 M CB 0.702 33.305 32.600 0.006 0.000 1.546 111 M HN 0.129 nan 8.290 nan 0.000 0.461 112 N N 3.561 122.265 118.700 0.007 0.000 2.454 112 N HA 0.045 4.785 4.740 -0.000 0.000 0.260 112 N C -2.075 173.441 175.510 0.009 0.000 1.218 112 N CA -0.828 52.227 53.050 0.008 0.000 0.904 112 N CB 1.108 39.599 38.487 0.007 0.000 1.065 112 N HN 0.320 nan 8.380 nan 0.000 0.462 113 P HA 0.013 nan 4.420 nan 0.000 0.224 113 P C 1.516 178.823 177.300 0.012 0.000 1.157 113 P CA 0.906 64.013 63.100 0.013 0.000 0.799 113 P CB 0.309 32.018 31.700 0.016 0.000 0.809 114 M N -0.583 119.024 119.600 0.011 0.000 2.200 114 M HA -0.075 4.405 4.480 -0.000 0.000 0.265 114 M C 1.198 177.503 176.300 0.008 0.000 1.066 114 M CA 1.546 56.852 55.300 0.010 0.000 1.127 114 M CB -1.331 31.275 32.600 0.010 0.000 1.379 114 M HN -0.022 nan 8.290 nan 0.000 0.420 115 D N 0.545 120.950 120.400 0.008 0.000 2.224 115 D HA -0.021 4.619 4.640 -0.000 0.000 0.205 115 D C 2.246 178.550 176.300 0.006 0.000 0.965 115 D CA 0.902 54.906 54.000 0.006 0.000 0.852 115 D CB -0.051 40.752 40.800 0.006 0.000 0.947 115 D HN 0.319 nan 8.370 nan 0.000 0.494 116 L N 0.742 121.969 121.223 0.007 0.000 2.044 116 L HA -0.112 4.228 4.340 -0.000 0.000 0.205 116 L C 2.547 179.421 176.870 0.007 0.000 1.075 116 L CA 1.021 55.866 54.840 0.007 0.000 0.747 116 L CB -0.262 41.802 42.059 0.008 0.000 0.903 116 L HN -0.093 nan 8.230 nan 0.000 0.435 117 K N 0.310 120.715 120.400 0.008 0.000 2.009 117 K HA -0.256 4.064 4.320 -0.000 0.000 0.210 117 K C 2.354 178.957 176.600 0.006 0.000 1.049 117 K CA 1.643 57.935 56.287 0.008 0.000 0.929 117 K CB -0.081 32.425 32.500 0.010 0.000 0.714 117 K HN 0.060 nan 8.250 nan 0.000 0.440 118 R N -0.434 120.069 120.500 0.005 0.000 2.117 118 R HA -0.130 4.210 4.340 -0.000 0.000 0.243 118 R C 2.283 178.584 176.300 0.002 0.000 1.143 118 R CA 1.683 57.785 56.100 0.003 0.000 0.968 118 R CB -0.462 29.840 30.300 0.003 0.000 0.863 118 R HN 0.439 nan 8.270 nan 0.000 0.444 119 G N 0.321 109.123 108.800 0.003 0.000 2.408 119 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.217 119 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.217 119 G C 1.387 176.288 174.900 0.003 0.000 1.150 119 G CA 0.627 45.729 45.100 0.003 0.000 0.776 119 G HN 0.242 nan 8.290 nan 0.000 0.542 120 I N 0.912 121.485 120.570 0.004 0.000 2.252 120 I HA -0.085 4.085 4.170 -0.000 0.000 0.245 120 I C 2.219 178.337 176.117 0.001 0.000 1.102 120 I CA 0.966 62.268 61.300 0.004 0.000 1.385 120 I CB -0.201 37.803 38.000 0.006 0.000 1.064 120 I HN 0.012 nan 8.210 nan 0.000 0.414 121 D N 1.184 121.584 120.400 -0.001 0.000 2.084 121 D HA -0.217 4.423 4.640 -0.000 0.000 0.194 121 D C 2.072 178.368 176.300 -0.007 0.000 0.990 121 D CA 1.275 55.272 54.000 -0.006 0.000 0.826 121 D CB -0.297 40.500 40.800 -0.006 0.000 0.971 121 D HN 0.207 nan 8.370 nan 0.000 0.453 122 K N 0.437 120.835 120.400 -0.004 0.000 2.280 122 K HA -0.039 4.281 4.320 -0.000 0.000 0.202 122 K C 1.771 178.370 176.600 -0.002 0.000 1.047 122 K CA 0.887 57.172 56.287 -0.003 0.000 0.942 122 K CB 0.060 32.559 32.500 -0.001 0.000 0.739 122 K HN 0.038 nan 8.250 nan 0.000 0.457 123 A N 0.241 123.060 122.820 -0.001 0.000 1.970 123 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 123 A C 1.973 179.557 177.584 -0.001 0.000 1.170 123 A CA 0.919 52.956 52.037 0.001 0.000 0.645 123 A CB -0.008 18.994 19.000 0.003 0.000 0.816 123 A HN 0.152 nan 8.150 nan 0.000 0.447 124 V N -0.636 119.275 119.914 -0.005 0.000 2.878 124 V HA -0.097 4.023 4.120 -0.000 0.000 0.250 124 V C 2.515 178.600 176.094 -0.014 0.000 1.075 124 V CA 2.019 64.313 62.300 -0.010 0.000 1.096 124 V CB -0.609 31.205 31.823 -0.015 0.000 0.724 124 V HN 0.559 nan 8.190 nan 0.000 0.467 125 T N 0.848 115.394 114.554 -0.013 0.000 2.770 125 T HA -0.066 4.284 4.350 -0.000 0.000 0.263 125 T C 2.091 176.786 174.700 -0.008 0.000 1.039 125 T CA 1.533 63.624 62.100 -0.014 0.000 1.142 125 T CB -0.325 68.535 68.868 -0.012 0.000 0.868 125 T HN 0.515 nan 8.240 nan 0.000 0.435 126 A N 1.189 124.007 122.820 -0.004 0.000 2.015 126 A HA 0.268 4.588 4.320 -0.000 0.000 0.219 126 A C 2.510 180.094 177.584 0.001 0.000 1.163 126 A CA 1.598 53.634 52.037 -0.001 0.000 0.646 126 A CB -0.802 18.199 19.000 0.001 0.000 0.806 126 A HN 0.494 nan 8.150 nan 0.000 0.448 127 A N -0.598 122.222 122.820 -0.001 0.000 1.898 127 A HA 0.098 4.418 4.320 -0.000 0.000 0.214 127 A C 2.136 179.720 177.584 0.000 0.000 1.183 127 A CA 1.415 53.453 52.037 0.002 0.000 0.622 127 A CB -0.797 18.203 19.000 0.002 0.000 0.824 127 A HN 0.341 nan 8.150 nan 0.000 0.444 128 V N 0.197 120.108 119.914 -0.005 0.000 2.392 128 V HA -0.246 3.874 4.120 -0.000 0.000 0.249 128 V C 2.555 178.647 176.094 -0.003 0.000 1.059 128 V CA 2.392 64.688 62.300 -0.008 0.000 1.051 128 V CB -0.780 31.033 31.823 -0.017 0.000 0.658 128 V HN 0.522 nan 8.190 nan 0.000 0.455 129 E N 0.087 120.286 120.200 -0.002 0.000 2.047 129 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 129 E C 2.206 178.809 176.600 0.004 0.000 0.987 129 E CA 1.280 57.681 56.400 0.001 0.000 0.799 129 E CB -0.288 29.412 29.700 0.001 0.000 0.752 129 E HN 0.591 nan 8.360 nan 0.000 0.449 130 E N -0.245 119.959 120.200 0.006 0.000 2.150 130 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 130 E C 1.727 178.334 176.600 0.012 0.000 0.985 130 E CA 0.388 56.794 56.400 0.010 0.000 0.814 130 E CB -0.174 29.533 29.700 0.011 0.000 0.752 130 E HN 0.163 nan 8.360 nan 0.000 0.466 131 L N 0.300 121.529 121.223 0.010 0.000 2.291 131 L HA -0.034 4.306 4.340 -0.000 0.000 0.214 131 L C 1.554 178.430 176.870 0.011 0.000 1.120 131 L CA 1.501 56.348 54.840 0.011 0.000 0.799 131 L CB 0.004 42.069 42.059 0.009 0.000 0.925 131 L HN -0.025 nan 8.230 nan 0.000 0.446 132 K N -1.184 119.221 120.400 0.009 0.000 2.186 132 K HA 0.104 4.424 4.320 -0.000 0.000 0.202 132 K C 2.079 178.685 176.600 0.010 0.000 1.052 132 K CA 0.845 57.137 56.287 0.008 0.000 0.965 132 K CB -0.136 32.368 32.500 0.006 0.000 0.746 132 K HN 0.363 nan 8.250 nan 0.000 0.457 133 A N 1.424 124.250 122.820 0.011 0.000 1.897 133 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 133 A C 1.951 179.544 177.584 0.015 0.000 1.181 133 A CA 0.928 52.972 52.037 0.012 0.000 0.620 133 A CB -0.493 18.515 19.000 0.012 0.000 0.821 133 A HN 0.240 nan 8.150 nan 0.000 0.443 134 L N 0.031 121.264 121.223 0.017 0.000 2.622 134 L HA 0.030 4.370 4.340 -0.000 0.000 0.233 134 L C 0.992 177.874 176.870 0.019 0.000 1.156 134 L CA 0.157 55.010 54.840 0.021 0.000 0.866 134 L CB -0.053 42.020 42.059 0.024 0.000 0.980 134 L HN 0.350 nan 8.230 nan 0.000 0.448 135 S N -0.300 115.410 115.700 0.016 0.000 2.499 135 S HA 0.233 4.703 4.470 -0.000 0.000 0.275 135 S C -0.203 174.406 174.600 0.014 0.000 1.257 135 S CA -0.613 57.595 58.200 0.014 0.000 1.050 135 S CB 0.947 64.155 63.200 0.012 0.000 0.937 135 S HN 0.012 nan 8.310 nan 0.000 0.490 136 V N 9.005 128.928 119.914 0.014 0.000 2.368 136 V HA 0.315 4.435 4.120 -0.000 0.000 0.266 136 V C -2.005 174.095 176.094 0.011 0.000 1.045 136 V CA -1.832 60.475 62.300 0.013 0.000 0.899 136 V CB 0.596 32.427 31.823 0.014 0.000 1.006 136 V HN 0.749 nan 8.190 nan 0.000 0.470 137 P HA 0.024 nan 4.420 nan 0.000 0.267 137 P C -0.443 176.861 177.300 0.007 0.000 1.201 137 P CA -0.047 63.057 63.100 0.008 0.000 0.775 137 P CB 0.371 32.075 31.700 0.007 0.000 0.854 138 C N 2.853 122.156 119.300 0.006 0.000 2.437 138 C HA 0.516 4.976 4.460 -0.000 0.000 0.307 138 C C 1.081 176.073 174.990 0.003 0.000 1.093 138 C CA 0.143 59.164 59.018 0.005 0.000 1.463 138 C CB -0.970 26.773 27.740 0.005 0.000 1.926 138 C HN 0.582 nan 8.230 nan 0.000 0.420 139 S N 2.490 118.191 115.700 0.003 0.000 3.066 139 S HA 0.142 4.612 4.470 -0.000 0.000 0.235 139 S C 0.372 174.972 174.600 0.000 0.000 0.995 139 S CA 0.147 58.347 58.200 0.001 0.000 0.835 139 S CB -0.238 62.964 63.200 0.002 0.000 0.814 139 S HN 0.957 nan 8.310 nan 0.000 0.594 140 D N 2.270 122.671 120.400 0.001 0.000 2.362 140 D HA 0.038 4.678 4.640 -0.000 0.000 0.238 140 D C 0.930 177.229 176.300 -0.000 0.000 1.212 140 D CA 0.461 54.461 54.000 0.000 0.000 0.902 140 D CB 0.665 41.466 40.800 0.001 0.000 1.180 140 D HN 0.291 nan 8.370 nan 0.000 0.445 141 S N -0.133 115.567 115.700 -0.001 0.000 2.522 141 S HA -0.140 4.330 4.470 -0.000 0.000 0.227 141 S C 1.546 176.145 174.600 -0.001 0.000 0.986 141 S CA 0.479 58.678 58.200 -0.002 0.000 0.929 141 S CB -0.198 63.000 63.200 -0.002 0.000 0.769 141 S HN 0.612 nan 8.310 nan 0.000 0.529 142 K N 1.501 121.901 120.400 -0.000 0.000 2.062 142 K HA 0.091 4.411 4.320 -0.000 0.000 0.205 142 K C 2.281 178.882 176.600 0.001 0.000 1.051 142 K CA 1.016 57.303 56.287 0.000 0.000 0.941 142 K CB -0.562 31.939 32.500 0.001 0.000 0.719 142 K HN 0.413 nan 8.250 nan 0.000 0.440 143 A N 1.613 124.434 122.820 0.001 0.000 1.873 143 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 143 A C 2.074 179.659 177.584 0.001 0.000 1.186 143 A CA 1.398 53.436 52.037 0.002 0.000 0.616 143 A CB -0.637 18.364 19.000 0.003 0.000 0.823 143 A HN 0.339 nan 8.150 nan 0.000 0.442 144 I N -0.078 120.492 120.570 0.000 0.000 2.248 144 I HA -0.348 3.822 4.170 -0.000 0.000 0.248 144 I C 2.838 178.954 176.117 -0.001 0.000 1.107 144 I CA 1.208 62.508 61.300 -0.001 0.000 1.373 144 I CB -0.257 37.741 38.000 -0.003 0.000 1.055 144 I HN 0.386 nan 8.210 nan 0.000 0.418 145 A N -0.130 122.689 122.820 -0.001 0.000 1.930 145 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 145 A C 2.263 179.846 177.584 -0.000 0.000 1.176 145 A CA 0.966 53.003 52.037 -0.001 0.000 0.632 145 A CB -0.399 18.601 19.000 -0.001 0.000 0.819 145 A HN 0.415 nan 8.150 nan 0.000 0.445 146 Q N -0.295 119.505 119.800 -0.000 0.000 2.020 146 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 146 Q C 2.172 178.172 176.000 0.000 0.000 0.982 146 Q CA 1.776 57.579 55.803 -0.000 0.000 0.838 146 Q CB -0.417 28.322 28.738 0.000 0.000 0.899 146 Q HN 0.463 nan 8.270 nan 0.000 0.423 147 V N 0.645 120.560 119.914 0.002 0.000 2.287 147 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 147 V C 2.269 178.365 176.094 0.004 0.000 1.053 147 V CA 2.075 64.376 62.300 0.003 0.000 1.027 147 V CB -1.249 30.577 31.823 0.005 0.000 0.646 147 V HN 0.574 nan 8.190 nan 0.000 0.447 148 G N -0.811 107.991 108.800 0.003 0.000 2.432 148 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 148 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 148 G C 1.652 176.553 174.900 0.003 0.000 1.135 148 G CA 1.501 46.603 45.100 0.004 0.000 0.767 148 G HN 0.495 nan 8.290 nan 0.000 0.550 149 T N 1.062 115.616 114.554 0.001 0.000 2.821 149 T HA 0.024 4.374 4.350 -0.000 0.000 0.267 149 T C 2.359 177.058 174.700 -0.002 0.000 1.046 149 T CA 0.777 62.876 62.100 -0.001 0.000 1.139 149 T CB -0.057 68.810 68.868 -0.002 0.000 0.871 149 T HN 0.273 nan 8.240 nan 0.000 0.454 150 I N 1.085 121.654 120.570 -0.002 0.000 2.333 150 I HA -0.081 4.089 4.170 -0.000 0.000 0.246 150 I C 2.510 178.626 176.117 -0.002 0.000 1.106 150 I CA 0.727 62.025 61.300 -0.004 0.000 1.411 150 I CB -0.256 37.741 38.000 -0.004 0.000 1.082 150 I HN 0.151 nan 8.210 nan 0.000 0.420 151 S N 1.067 116.769 115.700 0.003 0.000 2.419 151 S HA -0.056 4.414 4.470 -0.000 0.000 0.233 151 S C 1.735 176.339 174.600 0.006 0.000 1.016 151 S CA 1.174 59.379 58.200 0.007 0.000 0.974 151 S CB -0.207 63.002 63.200 0.014 0.000 0.786 151 S HN 0.512 nan 8.310 nan 0.000 0.492 152 A N 0.976 123.798 122.820 0.004 0.000 2.507 152 A HA 0.468 4.788 4.320 -0.000 0.000 0.270 152 A C 0.502 178.086 177.584 -0.001 0.000 1.318 152 A CA -0.421 51.618 52.037 0.003 0.000 0.924 152 A CB -0.512 18.490 19.000 0.004 0.000 1.061 152 A HN 0.367 nan 8.150 nan 0.000 0.516 153 N N -0.325 118.374 118.700 -0.003 0.000 2.699 153 N HA -0.201 4.539 4.740 -0.000 0.000 0.257 153 N C 0.297 175.803 175.510 -0.007 0.000 1.077 153 N CA 0.988 54.035 53.050 -0.006 0.000 0.702 153 N CB -1.757 36.726 38.487 -0.006 0.000 0.886 153 N HN 0.450 nan 8.380 nan 0.000 0.549 154 S N -1.274 114.422 115.700 -0.007 0.000 3.270 154 S HA -0.260 4.210 4.470 -0.000 0.000 0.293 154 S C -0.243 174.354 174.600 -0.005 0.000 1.278 154 S CA 1.110 59.306 58.200 -0.007 0.000 1.038 154 S CB -0.956 62.239 63.200 -0.009 0.000 1.218 154 S HN 0.826 nan 8.310 nan 0.000 0.659 155 D N 1.135 121.533 120.400 -0.004 0.000 2.456 155 D HA 0.376 5.016 4.640 -0.000 0.000 0.219 155 D C 0.992 177.291 176.300 -0.002 0.000 1.126 155 D CA -0.356 53.642 54.000 -0.003 0.000 0.890 155 D CB 0.505 41.304 40.800 -0.002 0.000 1.025 155 D HN 0.363 nan 8.370 nan 0.000 0.511 156 E N 1.042 121.240 120.200 -0.003 0.000 2.209 156 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 156 E C 1.422 178.021 176.600 -0.002 0.000 0.993 156 E CA 1.243 57.641 56.400 -0.002 0.000 0.819 156 E CB 0.145 29.844 29.700 -0.002 0.000 0.745 156 E HN 0.543 nan 8.360 nan 0.000 0.477 157 T N 0.625 115.178 114.554 -0.002 0.000 2.699 157 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 157 T C 2.093 176.792 174.700 -0.001 0.000 1.036 157 T CA 1.394 63.493 62.100 -0.001 0.000 1.147 157 T CB -0.270 68.597 68.868 -0.001 0.000 0.862 157 T HN 0.027 nan 8.240 nan 0.000 0.446 158 V N 1.357 121.271 119.914 -0.000 0.000 2.407 158 V HA 0.042 4.162 4.120 -0.000 0.000 0.245 158 V C 2.962 179.056 176.094 0.000 0.000 1.041 158 V CA 1.614 63.914 62.300 0.001 0.000 1.040 158 V CB -1.413 30.412 31.823 0.002 0.000 0.671 158 V HN 0.580 nan 8.190 nan 0.000 0.455 159 G N -0.311 108.489 108.800 0.000 0.000 2.450 159 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.220 159 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.220 159 G C 1.649 176.548 174.900 -0.001 0.000 1.130 159 G CA 1.111 46.211 45.100 -0.000 0.000 0.760 159 G HN 0.485 nan 8.290 nan 0.000 0.557 160 K N -0.295 120.104 120.400 -0.002 0.000 2.076 160 K HA 0.197 4.517 4.320 -0.000 0.000 0.204 160 K C 2.474 179.072 176.600 -0.003 0.000 1.051 160 K CA 0.235 56.521 56.287 -0.002 0.000 0.949 160 K CB -0.210 32.289 32.500 -0.002 0.000 0.726 160 K HN 0.284 nan 8.250 nan 0.000 0.443 161 L N 0.967 122.188 121.223 -0.003 0.000 2.081 161 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 161 L C 2.212 179.079 176.870 -0.005 0.000 1.080 161 L CA 1.274 56.112 54.840 -0.003 0.000 0.754 161 L CB -0.222 41.836 42.059 -0.002 0.000 0.893 161 L HN 0.259 nan 8.230 nan 0.000 0.433 162 I N -1.154 119.414 120.570 -0.004 0.000 2.296 162 I HA -0.178 3.992 4.170 -0.000 0.000 0.242 162 I C 2.751 178.864 176.117 -0.007 0.000 1.087 162 I CA 0.879 62.175 61.300 -0.007 0.000 1.393 162 I CB -0.497 37.500 38.000 -0.005 0.000 1.093 162 I HN 0.134 nan 8.210 nan 0.000 0.421 163 A N 0.743 123.559 122.820 -0.005 0.000 1.927 163 A HA -0.291 4.029 4.320 -0.000 0.000 0.220 163 A C 2.185 179.765 177.584 -0.006 0.000 1.185 163 A CA 2.179 54.213 52.037 -0.005 0.000 0.639 163 A CB -0.750 18.248 19.000 -0.004 0.000 0.820 163 A HN 0.504 nan 8.150 nan 0.000 0.451 164 E N -0.704 119.492 120.200 -0.005 0.000 2.107 164 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 164 E C 2.345 178.941 176.600 -0.007 0.000 0.982 164 E CA 0.731 57.127 56.400 -0.006 0.000 0.809 164 E CB -0.256 29.441 29.700 -0.005 0.000 0.756 164 E HN 0.646 nan 8.360 nan 0.000 0.459 165 A N 1.196 124.011 122.820 -0.008 0.000 1.898 165 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 165 A C 2.123 179.700 177.584 -0.012 0.000 1.181 165 A CA 1.235 53.266 52.037 -0.011 0.000 0.620 165 A CB -0.332 18.660 19.000 -0.012 0.000 0.819 165 A HN 0.128 nan 8.150 nan 0.000 0.442 166 M N -1.120 118.472 119.600 -0.013 0.000 2.492 166 M HA -0.052 4.428 4.480 -0.000 0.000 0.262 166 M C 1.497 177.791 176.300 -0.010 0.000 1.090 166 M CA 1.238 56.530 55.300 -0.013 0.000 1.110 166 M CB -0.305 32.287 32.600 -0.013 0.000 1.407 166 M HN 0.401 nan 8.290 nan 0.000 0.470 167 D N 0.749 121.144 120.400 -0.008 0.000 2.183 167 D HA -0.095 4.545 4.640 -0.000 0.000 0.203 167 D C 2.010 178.306 176.300 -0.007 0.000 0.969 167 D CA 1.047 55.043 54.000 -0.006 0.000 0.842 167 D CB 0.364 41.161 40.800 -0.005 0.000 0.957 167 D HN -0.001 nan 8.370 nan 0.000 0.484 168 K N -0.080 120.315 120.400 -0.007 0.000 1.980 168 K HA -0.012 4.308 4.320 -0.000 0.000 0.208 168 K C 2.033 178.628 176.600 -0.008 0.000 1.043 168 K CA 1.338 57.621 56.287 -0.007 0.000 0.938 168 K CB -0.634 31.861 32.500 -0.007 0.000 0.724 168 K HN 0.205 nan 8.250 nan 0.000 0.438 169 V N -2.262 117.646 119.914 -0.009 0.000 3.649 169 V HA 0.325 4.445 4.120 -0.000 0.000 0.275 169 V C 0.924 177.012 176.094 -0.010 0.000 1.281 169 V CA 0.300 62.594 62.300 -0.010 0.000 1.143 169 V CB -0.547 31.270 31.823 -0.011 0.000 0.892 169 V HN 0.465 nan 8.190 nan 0.000 0.441 170 G N 0.947 109.741 108.800 -0.010 0.000 2.526 170 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.250 170 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.250 170 G C 0.109 175.001 174.900 -0.012 0.000 1.289 170 G CA 0.032 45.127 45.100 -0.010 0.000 0.947 170 G HN 0.197 nan 8.290 nan 0.000 0.517 171 K N 0.048 120.442 120.400 -0.011 0.000 2.167 171 K HA 0.065 4.385 4.320 -0.000 0.000 0.203 171 K C 1.763 178.353 176.600 -0.016 0.000 1.052 171 K CA 1.403 57.682 56.287 -0.013 0.000 0.956 171 K CB 0.039 32.534 32.500 -0.008 0.000 0.735 171 K HN 0.430 nan 8.250 nan 0.000 0.451 172 E N 0.431 120.623 120.200 -0.013 0.000 2.472 172 E HA 0.045 4.395 4.350 -0.000 0.000 0.196 172 E C 0.805 177.395 176.600 -0.017 0.000 1.033 172 E CA 0.020 56.411 56.400 -0.014 0.000 0.886 172 E CB 0.369 30.065 29.700 -0.008 0.000 0.944 172 E HN 0.205 nan 8.360 nan 0.000 0.492 173 G N 1.298 110.088 108.800 -0.017 0.000 2.554 173 G HA2 0.188 4.148 3.960 -0.000 0.000 0.238 173 G HA3 0.188 4.148 3.960 -0.000 0.000 0.238 173 G C 0.189 175.074 174.900 -0.026 0.000 1.259 173 G CA -0.423 44.667 45.100 -0.017 0.000 0.843 173 G HN -0.045 nan 8.290 nan 0.000 0.582 174 V N 2.610 122.511 119.914 -0.022 0.000 2.427 174 V HA 0.244 4.364 4.120 -0.000 0.000 0.268 174 V C 0.341 176.417 176.094 -0.030 0.000 1.046 174 V CA 0.147 62.429 62.300 -0.029 0.000 0.970 174 V CB 0.216 32.027 31.823 -0.020 0.000 1.001 174 V HN 0.457 nan 8.190 nan 0.000 0.476 175 I N 4.737 125.283 120.570 -0.041 0.000 2.418 175 I HA 0.511 4.681 4.170 -0.000 0.000 0.287 175 I C 0.217 176.313 176.117 -0.035 0.000 1.008 175 I CA -0.088 61.191 61.300 -0.035 0.000 1.104 175 I CB 2.041 40.018 38.000 -0.038 0.000 1.264 175 I HN 0.505 nan 8.210 nan 0.000 0.438 176 T N 4.802 119.343 114.554 -0.022 0.000 2.940 176 T HA 0.684 5.034 4.350 -0.000 0.000 0.288 176 T C -0.935 173.760 174.700 -0.008 0.000 1.045 176 T CA -0.743 61.348 62.100 -0.015 0.000 1.018 176 T CB 2.683 71.543 68.868 -0.013 0.000 1.151 176 T HN 0.367 nan 8.240 nan 0.000 0.529 177 V N 1.452 121.365 119.914 -0.002 0.000 2.777 177 V HA 0.686 4.806 4.120 -0.000 0.000 0.306 177 V C -1.348 174.748 176.094 0.003 0.000 1.112 177 V CA -0.523 61.778 62.300 0.001 0.000 0.917 177 V CB 1.638 33.464 31.823 0.005 0.000 1.018 177 V HN 1.090 nan 8.190 nan 0.000 0.426 178 E N 3.745 123.946 120.200 0.001 0.000 2.431 178 E HA 0.557 4.907 4.350 -0.000 0.000 0.240 178 E C -1.394 175.207 176.600 0.000 0.000 0.867 178 E CA -1.088 55.313 56.400 0.001 0.000 0.888 178 E CB 0.991 30.690 29.700 -0.002 0.000 1.739 178 E HN 0.506 nan 8.360 nan 0.000 0.413 179 D N -0.254 120.145 120.400 -0.001 0.000 2.361 179 D HA 0.375 5.015 4.640 -0.000 0.000 0.239 179 D C -0.051 176.248 176.300 -0.002 0.000 1.200 179 D CA 0.255 54.254 54.000 -0.001 0.000 0.915 179 D CB 1.019 41.818 40.800 -0.002 0.000 1.170 179 D HN 0.542 nan 8.370 nan 0.000 0.444 180 G N -1.591 107.208 108.800 -0.002 0.000 2.511 180 G HA2 0.415 4.375 3.960 -0.000 0.000 0.318 180 G HA3 0.415 4.375 3.960 -0.000 0.000 0.318 180 G C 0.818 175.716 174.900 -0.003 0.000 1.210 180 G CA -0.413 44.686 45.100 -0.003 0.000 0.969 180 G HN 0.374 nan 8.290 nan 0.000 0.484 181 T N -2.355 112.197 114.554 -0.003 0.000 2.978 181 T HA 0.455 4.805 4.350 -0.000 0.000 0.262 181 T C 1.140 175.838 174.700 -0.003 0.000 1.063 181 T CA 0.988 63.086 62.100 -0.004 0.000 1.140 181 T CB 0.035 68.901 68.868 -0.004 0.000 0.886 181 T HN 1.666 nan 8.240 nan 0.000 0.470 182 G N 0.363 109.161 108.800 -0.003 0.000 2.322 182 G HA2 0.395 4.355 3.960 -0.000 0.000 0.295 182 G HA3 0.395 4.355 3.960 -0.000 0.000 0.295 182 G C -1.612 173.287 174.900 -0.002 0.000 1.369 182 G CA -0.857 44.241 45.100 -0.003 0.000 0.821 182 G HN 0.291 nan 8.290 nan 0.000 0.536 183 L N 1.065 122.287 121.223 -0.002 0.000 2.865 183 L HA 0.275 4.615 4.340 -0.000 0.000 0.283 183 L C -0.287 176.581 176.870 -0.002 0.000 1.101 183 L CA 1.613 56.452 54.840 -0.002 0.000 1.061 183 L CB -1.238 40.820 42.059 -0.002 0.000 1.437 183 L HN 0.776 nan 8.230 nan 0.000 0.460 184 Q N 3.072 122.871 119.800 -0.002 0.000 3.454 184 Q HA 0.054 4.394 4.340 -0.000 0.000 0.141 184 Q C -1.590 174.409 176.000 -0.002 0.000 0.983 184 Q CA -0.509 55.292 55.803 -0.002 0.000 1.241 184 Q CB 0.684 29.421 28.738 -0.002 0.000 1.727 184 Q HN 0.607 nan 8.270 nan 0.000 0.594 185 D N 3.139 123.538 120.400 -0.002 0.000 2.308 185 D HA 0.215 4.855 4.640 -0.000 0.000 0.251 185 D C -0.360 175.938 176.300 -0.003 0.000 1.127 185 D CA 0.273 54.271 54.000 -0.003 0.000 0.876 185 D CB 1.117 41.916 40.800 -0.002 0.000 1.176 185 D HN 0.308 nan 8.370 nan 0.000 0.446 186 E N 0.634 120.832 120.200 -0.003 0.000 2.244 186 E HA 0.577 4.927 4.350 -0.000 0.000 0.266 186 E C -0.936 175.662 176.600 -0.005 0.000 0.914 186 E CA -1.010 55.388 56.400 -0.004 0.000 0.794 186 E CB 2.459 32.156 29.700 -0.004 0.000 1.210 186 E HN 0.087 nan 8.360 nan 0.000 0.414 187 L N 2.260 123.480 121.223 -0.005 0.000 2.446 187 L HA 0.410 4.750 4.340 -0.000 0.000 0.268 187 L C -1.885 174.982 176.870 -0.006 0.000 0.975 187 L CA -0.229 54.607 54.840 -0.006 0.000 0.848 187 L CB 1.452 43.508 42.059 -0.006 0.000 1.225 187 L HN 0.402 nan 8.230 nan 0.000 0.410 188 D N 4.554 124.950 120.400 -0.006 0.000 2.620 188 D HA 0.315 4.955 4.640 -0.000 0.000 0.252 188 D C -0.741 175.555 176.300 -0.007 0.000 1.207 188 D CA -0.178 53.819 54.000 -0.006 0.000 0.884 188 D CB 2.840 43.636 40.800 -0.007 0.000 1.262 188 D HN 0.209 nan 8.370 nan 0.000 0.552 189 V N 2.894 122.805 119.914 -0.006 0.000 2.415 189 V HA 0.180 4.300 4.120 -0.000 0.000 0.267 189 V C 0.820 176.911 176.094 -0.006 0.000 1.042 189 V CA -0.343 61.954 62.300 -0.006 0.000 1.000 189 V CB 0.671 32.490 31.823 -0.006 0.000 1.015 189 V HN 0.348 nan 8.190 nan 0.000 0.478 190 V N 2.159 122.070 119.914 -0.006 0.000 3.096 190 V HA 0.636 4.756 4.120 -0.000 0.000 0.319 190 V C 0.126 176.218 176.094 -0.003 0.000 1.103 190 V CA -1.114 61.183 62.300 -0.005 0.000 1.016 190 V CB 1.962 33.781 31.823 -0.007 0.000 1.090 190 V HN 0.624 nan 8.190 nan 0.000 0.449 191 E N 2.068 122.266 120.200 -0.002 0.000 2.059 191 E HA 0.441 4.791 4.350 -0.000 0.000 0.262 191 E C 0.236 176.839 176.600 0.006 0.000 1.230 191 E CA 0.686 57.087 56.400 0.001 0.000 0.951 191 E CB 0.445 30.145 29.700 0.000 0.000 1.038 191 E HN 1.035 nan 8.360 nan 0.000 0.425 192 G N 1.705 110.510 108.800 0.009 0.000 2.733 192 G HA2 0.742 4.702 3.960 -0.000 0.000 0.288 192 G HA3 0.742 4.702 3.960 -0.000 0.000 0.288 192 G C -0.951 173.966 174.900 0.029 0.000 1.373 192 G CA -0.596 44.514 45.100 0.017 0.000 0.895 192 G HN 0.351 nan 8.290 nan 0.000 0.479 193 M N 0.157 119.785 119.600 0.047 0.000 2.471 193 M HA 0.421 4.901 4.480 -0.000 0.000 0.284 193 M C -1.935 174.421 176.300 0.093 0.000 1.203 193 M CA -0.609 54.737 55.300 0.076 0.000 0.915 193 M CB 2.749 35.410 32.600 0.101 0.000 1.734 193 M HN 0.656 nan 8.290 nan 0.000 0.485 194 Q N 3.832 123.686 119.800 0.089 0.000 2.323 194 Q HA 0.690 5.030 4.340 -0.000 0.000 0.271 194 Q C -2.073 173.997 176.000 0.116 0.000 1.048 194 Q CA -0.645 55.175 55.803 0.028 0.000 0.792 194 Q CB 2.033 30.749 28.738 -0.036 0.000 1.280 194 Q HN 0.593 nan 8.270 nan 0.000 0.441 195 F N -0.026 119.925 119.950 0.002 0.000 2.631 195 F HA 0.553 5.080 4.527 -0.000 0.000 0.328 195 F C -0.465 175.339 175.800 0.006 0.000 1.067 195 F CA -1.216 56.788 58.000 0.006 0.000 0.969 195 F CB 1.034 40.039 39.000 0.009 0.000 1.332 195 F HN 0.323 nan 8.300 nan 0.000 0.490 196 D N 2.467 123.001 120.400 0.223 0.000 2.845 196 D HA 0.190 4.830 4.640 -0.000 0.000 0.235 196 D C -0.292 176.092 176.300 0.139 0.000 1.158 196 D CA 0.237 54.302 54.000 0.110 0.000 0.990 196 D CB -0.149 40.717 40.800 0.109 0.000 1.094 196 D HN 0.278 nan 8.370 nan 0.000 0.486 197 R N 0.051 120.601 120.500 0.083 0.000 2.604 197 R HA 0.540 4.880 4.340 -0.000 0.000 0.281 197 R C 0.278 176.538 176.300 -0.067 0.000 1.020 197 R CA -0.695 55.464 56.100 0.098 0.000 0.899 197 R CB 2.228 32.739 30.300 0.353 0.000 1.205 197 R HN 0.194 nan 8.270 nan 0.000 0.450 198 G N 0.899 109.640 108.800 -0.098 0.000 2.671 198 G HA2 0.438 4.398 3.960 -0.000 0.000 0.275 198 G HA3 0.438 4.398 3.960 -0.000 0.000 0.275 198 G C -0.738 174.090 174.900 -0.120 0.000 1.368 198 G CA -0.543 44.415 45.100 -0.236 0.000 1.044 198 G HN 0.452 nan 8.290 nan 0.000 0.543 199 Y N -0.853 119.485 120.300 0.064 0.000 2.497 199 Y HA 0.385 4.935 4.550 -0.000 0.000 0.334 199 Y C 1.355 177.345 175.900 0.150 0.000 1.199 199 Y CA -0.937 57.238 58.100 0.124 0.000 1.425 199 Y CB 0.540 39.118 38.460 0.197 0.000 1.291 199 Y HN 0.188 nan 8.280 nan 0.000 0.562 200 L N 1.486 122.922 121.223 0.355 0.000 2.201 200 L HA -0.044 4.296 4.340 -0.000 0.000 0.212 200 L C 1.018 178.106 176.870 0.364 0.000 1.105 200 L CA 1.431 56.446 54.840 0.291 0.000 0.775 200 L CB -0.087 42.116 42.059 0.240 0.000 0.913 200 L HN 0.805 nan 8.230 nan 0.000 0.440 201 S N -2.520 113.496 115.700 0.528 0.000 2.556 201 S HA 0.494 4.964 4.470 -0.000 0.000 0.271 201 S C -2.541 172.151 174.600 0.152 0.000 1.135 201 S CA -1.442 56.957 58.200 0.330 0.000 0.858 201 S CB 1.771 65.065 63.200 0.156 0.000 1.114 201 S HN -0.286 nan 8.310 nan 0.000 0.468 202 P HA 0.359 nan 4.420 nan 0.000 0.306 202 P C -0.241 176.770 177.300 -0.482 0.000 1.301 202 P CA 0.402 63.177 63.100 -0.543 0.000 0.744 202 P CB 0.017 31.335 31.700 -0.637 0.000 1.400 203 Y N -5.083 114.994 120.300 -0.372 0.000 3.021 203 Y HA -0.289 4.261 4.550 -0.000 0.000 0.469 203 Y C 1.792 177.524 175.900 -0.280 0.000 1.266 203 Y CA 1.259 59.154 58.100 -0.341 0.000 2.486 203 Y CB -3.109 35.089 38.460 -0.437 0.000 0.892 203 Y HN 0.122 nan 8.280 nan 0.000 0.506 204 F N 0.709 120.661 119.950 0.004 0.000 2.333 204 F HA -0.032 4.495 4.527 -0.000 0.000 0.300 204 F C 1.393 177.136 175.800 -0.094 0.000 1.083 204 F CA 0.570 58.549 58.000 -0.036 0.000 1.395 204 F CB -0.694 38.286 39.000 -0.034 0.000 1.056 204 F HN -0.028 nan 8.300 nan 0.000 0.529 205 I N 2.264 122.796 120.570 -0.063 0.000 2.664 205 I HA -0.107 4.063 4.170 -0.000 0.000 0.284 205 I C 0.840 176.936 176.117 -0.034 0.000 1.154 205 I CA 0.142 61.380 61.300 -0.103 0.000 1.402 205 I CB 0.178 38.041 38.000 -0.228 0.000 1.395 205 I HN 0.130 nan 8.210 nan 0.000 0.545 206 N N 5.028 123.727 118.700 -0.001 0.000 2.368 206 N HA 0.013 4.753 4.740 -0.000 0.000 0.178 206 N C 0.024 175.533 175.510 -0.002 0.000 1.076 206 N CA 0.319 53.374 53.050 0.008 0.000 0.889 206 N CB 0.310 38.812 38.487 0.025 0.000 1.040 206 N HN 0.334 nan 8.380 nan 0.000 0.463 207 K N 1.622 122.019 120.400 -0.005 0.000 2.419 207 K HA 0.259 4.579 4.320 -0.000 0.000 0.244 207 K C -2.048 174.543 176.600 -0.015 0.000 1.045 207 K CA -1.611 54.673 56.287 -0.005 0.000 1.004 207 K CB 2.127 34.630 32.500 0.005 0.000 1.376 207 K HN 0.099 nan 8.250 nan 0.000 0.460 208 P HA -0.059 nan 4.420 nan 0.000 0.233 208 P C 0.260 177.546 177.300 -0.023 0.000 1.167 208 P CA 0.793 63.873 63.100 -0.033 0.000 0.770 208 P CB 0.584 32.263 31.700 -0.034 0.000 0.837 209 E N 0.072 120.263 120.200 -0.014 0.000 2.072 209 E HA -0.085 4.265 4.350 -0.000 0.000 0.190 209 E C 1.926 178.519 176.600 -0.012 0.000 0.982 209 E CA 1.959 58.352 56.400 -0.012 0.000 0.803 209 E CB -1.065 28.630 29.700 -0.007 0.000 0.755 209 E HN 0.368 nan 8.360 nan 0.000 0.453 210 T N -3.622 110.928 114.554 -0.005 0.000 3.015 210 T HA 0.318 4.668 4.350 -0.000 0.000 0.250 210 T C 1.481 176.186 174.700 0.008 0.000 1.057 210 T CA 0.108 62.207 62.100 -0.002 0.000 1.066 210 T CB 0.468 69.341 68.868 0.009 0.000 0.959 210 T HN 0.265 nan 8.240 nan 0.000 0.488 211 G N 1.266 110.072 108.800 0.011 0.000 2.248 211 G HA2 0.251 4.211 3.960 -0.000 0.000 0.252 211 G HA3 0.251 4.211 3.960 -0.000 0.000 0.252 211 G C -0.001 174.962 174.900 0.106 0.000 1.085 211 G CA -0.159 44.959 45.100 0.030 0.000 0.845 211 G HN 1.181 nan 8.290 nan 0.000 0.494 212 A N -1.377 121.489 122.820 0.077 0.000 2.569 212 A HA 0.959 5.279 4.320 -0.000 0.000 0.290 212 A C -0.352 177.275 177.584 0.072 0.000 1.136 212 A CA -0.250 51.867 52.037 0.134 0.000 0.710 212 A CB 1.869 20.929 19.000 0.101 0.000 1.303 212 A HN 1.378 nan 8.150 nan 0.000 0.413 213 V N 0.665 120.642 119.914 0.104 0.000 2.483 213 V HA 0.602 4.722 4.120 -0.000 0.000 0.295 213 V C -0.096 176.027 176.094 0.049 0.000 1.035 213 V CA -0.338 62.004 62.300 0.070 0.000 0.896 213 V CB 1.400 33.282 31.823 0.098 0.000 0.986 213 V HN 0.890 nan 8.190 nan 0.000 0.447 214 E N 4.170 124.390 120.200 0.033 0.000 2.316 214 E HA 0.541 4.891 4.350 -0.000 0.000 0.254 214 E C -1.745 174.865 176.600 0.017 0.000 0.902 214 E CA -0.473 55.939 56.400 0.021 0.000 0.801 214 E CB 1.340 31.050 29.700 0.016 0.000 1.270 214 E HN 0.633 nan 8.360 nan 0.000 0.414 215 L N 3.498 124.728 121.223 0.011 0.000 2.322 215 L HA 0.493 4.833 4.340 -0.000 0.000 0.281 215 L C -0.196 176.671 176.870 -0.005 0.000 1.014 215 L CA -0.707 54.137 54.840 0.007 0.000 0.815 215 L CB 1.855 43.919 42.059 0.007 0.000 1.247 215 L HN 0.466 nan 8.230 nan 0.000 0.421 216 E N 1.564 121.759 120.200 -0.008 0.000 2.151 216 E HA 0.310 4.660 4.350 -0.000 0.000 0.275 216 E C -0.358 176.217 176.600 -0.042 0.000 0.936 216 E CA -0.460 55.927 56.400 -0.022 0.000 0.777 216 E CB 1.535 31.225 29.700 -0.016 0.000 1.108 216 E HN 0.604 nan 8.360 nan 0.000 0.401 217 S N 1.851 117.511 115.700 -0.066 0.000 3.628 217 S HA -0.118 4.352 4.470 -0.000 0.000 0.373 217 S C -2.476 172.013 174.600 -0.185 0.000 0.968 217 S CA 0.032 58.159 58.200 -0.123 0.000 1.215 217 S CB -1.309 61.822 63.200 -0.116 0.000 0.912 217 S HN 0.416 nan 8.310 nan 0.000 0.495 218 P HA 0.643 nan 4.420 nan 0.000 0.282 218 P C -0.090 177.091 177.300 -0.198 0.000 1.259 218 P CA -0.703 62.335 63.100 -0.104 0.000 0.826 218 P CB 0.480 32.169 31.700 -0.019 0.000 1.064 219 F N 0.397 120.348 119.950 0.002 0.000 2.379 219 F HA 0.437 4.964 4.527 -0.000 0.000 0.332 219 F C 0.735 176.536 175.800 0.002 0.000 1.096 219 F CA -0.104 57.898 58.000 0.002 0.000 1.105 219 F CB 0.611 39.612 39.000 0.001 0.000 1.189 219 F HN 0.019 nan 8.300 nan 0.000 0.515 220 I N 3.993 124.682 120.570 0.198 0.000 2.411 220 I HA 0.221 4.391 4.170 -0.000 0.000 0.284 220 I C -0.979 175.194 176.117 0.092 0.000 1.012 220 I CA -0.762 60.605 61.300 0.112 0.000 1.119 220 I CB 1.552 39.597 38.000 0.076 0.000 1.261 220 I HN 0.339 nan 8.210 nan 0.000 0.448 221 L N 8.135 129.398 121.223 0.066 0.000 2.360 221 L HA 0.390 4.730 4.340 -0.000 0.000 0.276 221 L C -1.023 175.862 176.870 0.026 0.000 1.121 221 L CA 0.421 55.284 54.840 0.037 0.000 0.845 221 L CB 0.437 42.508 42.059 0.021 0.000 1.143 221 L HN 0.476 nan 8.230 nan 0.000 0.452 222 L N 6.443 127.676 121.223 0.017 0.000 2.345 222 L HA 0.759 5.099 4.340 -0.000 0.000 0.274 222 L C -0.430 176.439 176.870 -0.002 0.000 0.999 222 L CA -0.178 54.664 54.840 0.004 0.000 0.849 222 L CB 1.458 43.517 42.059 -0.000 0.000 1.220 222 L HN 0.796 nan 8.230 nan 0.000 0.422 223 A N 1.562 124.379 122.820 -0.004 0.000 2.371 223 A HA 0.551 4.871 4.320 -0.000 0.000 0.311 223 A C -0.939 176.641 177.584 -0.006 0.000 1.068 223 A CA -0.514 51.521 52.037 -0.003 0.000 0.744 223 A CB 1.424 20.425 19.000 0.002 0.000 1.239 223 A HN 0.637 nan 8.150 nan 0.000 0.435 224 D N 1.588 121.985 120.400 -0.006 0.000 2.781 224 D HA 0.418 5.058 4.640 -0.000 0.000 0.254 224 D C -0.124 176.177 176.300 0.002 0.000 1.213 224 D CA 0.083 54.080 54.000 -0.005 0.000 0.994 224 D CB -0.486 40.308 40.800 -0.010 0.000 1.019 224 D HN 0.607 nan 8.370 nan 0.000 0.514 225 K N -0.659 119.745 120.400 0.007 0.000 2.658 225 K HA 0.348 4.668 4.320 -0.000 0.000 0.293 225 K C -1.193 175.417 176.600 0.016 0.000 1.026 225 K CA -1.168 55.126 56.287 0.011 0.000 0.871 225 K CB 0.814 33.320 32.500 0.009 0.000 1.524 225 K HN -0.200 nan 8.250 nan 0.000 0.400 226 K N 1.908 122.320 120.400 0.019 0.000 2.266 226 K HA 0.311 4.631 4.320 -0.000 0.000 0.274 226 K C -0.613 176.001 176.600 0.023 0.000 1.090 226 K CA -0.386 55.915 56.287 0.024 0.000 0.925 226 K CB 0.252 32.767 32.500 0.025 0.000 1.225 226 K HN 0.402 nan 8.250 nan 0.000 0.458 227 I N 2.838 123.423 120.570 0.024 0.000 2.349 227 I HA -0.051 4.119 4.170 -0.000 0.000 0.302 227 I C 0.848 176.982 176.117 0.028 0.000 1.180 227 I CA 0.216 61.530 61.300 0.023 0.000 1.405 227 I CB 0.340 38.353 38.000 0.022 0.000 1.474 227 I HN 0.520 nan 8.210 nan 0.000 0.632 228 S N 3.154 118.869 115.700 0.025 0.000 2.503 228 S HA 0.127 4.597 4.470 -0.000 0.000 0.217 228 S C 0.631 175.245 174.600 0.023 0.000 0.999 228 S CA 0.144 58.360 58.200 0.026 0.000 0.914 228 S CB -0.093 63.120 63.200 0.023 0.000 0.782 228 S HN 0.591 nan 8.310 nan 0.000 0.520 229 N N 0.978 119.690 118.700 0.019 0.000 2.372 229 N HA 0.389 5.129 4.740 -0.000 0.000 0.291 229 N C -0.148 175.372 175.510 0.017 0.000 1.024 229 N CA -0.315 52.745 53.050 0.016 0.000 0.873 229 N CB 1.747 40.241 38.487 0.012 0.000 1.206 229 N HN 0.035 nan 8.380 nan 0.000 0.486 230 I N 1.523 122.103 120.570 0.017 0.000 3.564 230 I HA 0.018 4.188 4.170 -0.000 0.000 0.294 230 I C 2.191 178.314 176.117 0.010 0.000 1.289 230 I CA 0.284 61.594 61.300 0.017 0.000 1.325 230 I CB 0.128 38.140 38.000 0.021 0.000 1.039 230 I HN 0.440 nan 8.210 nan 0.000 0.474 231 R N 1.002 121.507 120.500 0.008 0.000 2.115 231 R HA -0.170 4.170 4.340 -0.000 0.000 0.230 231 R C 1.676 177.977 176.300 0.002 0.000 1.111 231 R CA 1.653 57.755 56.100 0.004 0.000 0.976 231 R CB -0.033 30.269 30.300 0.004 0.000 0.870 231 R HN 0.454 nan 8.270 nan 0.000 0.445 232 E N -0.259 119.943 120.200 0.003 0.000 2.358 232 E HA -0.091 4.259 4.350 -0.000 0.000 0.195 232 E C 1.542 178.141 176.600 -0.002 0.000 1.010 232 E CA 0.595 56.995 56.400 0.001 0.000 0.856 232 E CB 0.141 29.842 29.700 0.003 0.000 0.795 232 E HN 0.342 nan 8.360 nan 0.000 0.504 233 M N 0.278 119.878 119.600 0.001 0.000 2.541 233 M HA 0.081 4.561 4.480 -0.000 0.000 0.252 233 M C 1.955 178.250 176.300 -0.007 0.000 1.125 233 M CA 0.585 55.884 55.300 -0.002 0.000 1.091 233 M CB -0.289 32.315 32.600 0.006 0.000 1.420 233 M HN 0.164 nan 8.290 nan 0.000 0.486 234 L N 1.243 122.462 121.223 -0.006 0.000 1.989 234 L HA -0.184 4.156 4.340 -0.000 0.000 0.211 234 L C -0.173 176.686 176.870 -0.018 0.000 1.071 234 L CA 1.787 56.622 54.840 -0.009 0.000 0.749 234 L CB -2.337 39.718 42.059 -0.007 0.000 0.890 234 L HN 0.169 nan 8.230 nan 0.000 0.431 235 P HA -0.112 nan 4.420 nan 0.000 0.218 235 P C 1.793 179.067 177.300 -0.043 0.000 1.149 235 P CA 1.320 64.403 63.100 -0.028 0.000 0.817 235 P CB 0.047 31.732 31.700 -0.025 0.000 0.785 236 V N 0.488 120.377 119.914 -0.041 0.000 2.255 236 V HA -0.184 3.936 4.120 -0.000 0.000 0.243 236 V C 2.840 178.895 176.094 -0.065 0.000 1.038 236 V CA 1.404 63.669 62.300 -0.058 0.000 1.008 236 V CB -1.445 30.353 31.823 -0.042 0.000 0.645 236 V HN -0.040 nan 8.190 nan 0.000 0.449 237 L N -0.045 121.155 121.223 -0.039 0.000 2.129 237 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 237 L C 2.546 179.395 176.870 -0.035 0.000 1.087 237 L CA 1.772 56.595 54.840 -0.028 0.000 0.757 237 L CB -0.628 41.426 42.059 -0.009 0.000 0.896 237 L HN 0.428 nan 8.230 nan 0.000 0.434 238 E N -0.316 119.861 120.200 -0.038 0.000 2.158 238 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 238 E C 2.238 178.803 176.600 -0.058 0.000 0.982 238 E CA 0.836 57.214 56.400 -0.037 0.000 0.823 238 E CB -0.070 29.612 29.700 -0.030 0.000 0.766 238 E HN 0.497 nan 8.360 nan 0.000 0.468 239 A N 0.635 123.402 122.820 -0.089 0.000 2.119 239 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 239 A C 2.156 179.618 177.584 -0.203 0.000 1.152 239 A CA 0.564 52.520 52.037 -0.136 0.000 0.708 239 A CB 0.153 19.059 19.000 -0.157 0.000 0.805 239 A HN 0.090 nan 8.150 nan 0.000 0.460 240 V N -0.963 118.850 119.914 -0.168 0.000 3.471 240 V HA 0.033 4.153 4.120 -0.000 0.000 0.258 240 V C 2.705 178.781 176.094 -0.029 0.000 1.192 240 V CA 1.022 63.241 62.300 -0.136 0.000 1.116 240 V CB -0.212 31.563 31.823 -0.080 0.000 0.792 240 V HN 0.537 nan 8.190 nan 0.000 0.459 241 A N 0.031 122.834 122.820 -0.030 0.000 1.969 241 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 241 A C 1.369 178.953 177.584 -0.000 0.000 1.169 241 A CA 1.000 53.034 52.037 -0.005 0.000 0.635 241 A CB -0.178 18.817 19.000 -0.009 0.000 0.810 241 A HN 0.518 nan 8.150 nan 0.000 0.445 242 K N -2.010 118.378 120.400 -0.019 0.000 2.126 242 K HA 0.473 4.793 4.320 -0.000 0.000 0.257 242 K C 0.979 177.592 176.600 0.023 0.000 1.007 242 K CA 0.250 56.533 56.287 -0.007 0.000 0.928 242 K CB 0.647 33.131 32.500 -0.027 0.000 1.013 242 K HN 0.595 nan 8.250 nan 0.000 0.473 243 A N 1.399 124.246 122.820 0.044 0.000 3.810 243 A HA -0.208 4.112 4.320 -0.000 0.000 0.245 243 A C 1.125 178.761 177.584 0.086 0.000 0.706 243 A CA 1.547 53.635 52.037 0.085 0.000 1.286 243 A CB -2.361 16.738 19.000 0.165 0.000 1.169 243 A HN 1.566 nan 8.150 nan 0.000 0.691 244 G N -0.896 107.952 108.800 0.081 0.000 2.341 244 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.278 244 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.278 244 G C -0.299 174.655 174.900 0.090 0.000 1.111 244 G CA 1.221 46.362 45.100 0.069 0.000 0.982 244 G HN 1.142 nan 8.290 nan 0.000 0.502 245 K N -0.053 120.434 120.400 0.144 0.000 2.281 245 K HA 0.580 4.900 4.320 -0.000 0.000 0.242 245 K C -2.177 174.511 176.600 0.147 0.000 0.971 245 K CA -2.265 54.115 56.287 0.154 0.000 0.834 245 K CB 2.062 34.698 32.500 0.227 0.000 1.181 245 K HN 0.026 nan 8.250 nan 0.000 0.435 246 P HA 0.052 nan 4.420 nan 0.000 0.278 246 P C -1.255 176.120 177.300 0.125 0.000 1.270 246 P CA -0.345 62.803 63.100 0.081 0.000 0.800 246 P CB 0.404 32.129 31.700 0.041 0.000 1.142 247 L N -0.633 120.638 121.223 0.079 0.000 2.506 247 L HA 0.676 5.016 4.340 -0.000 0.000 0.257 247 L C -2.017 174.868 176.870 0.027 0.000 0.964 247 L CA -0.795 54.097 54.840 0.087 0.000 0.836 247 L CB 1.892 43.993 42.059 0.071 0.000 1.384 247 L HN 0.137 nan 8.230 nan 0.000 0.410 248 L N 4.294 125.539 121.223 0.036 0.000 2.381 248 L HA 0.764 5.104 4.340 -0.000 0.000 0.268 248 L C -1.641 175.238 176.870 0.015 0.000 0.997 248 L CA -0.326 54.518 54.840 0.006 0.000 0.818 248 L CB 1.996 44.073 42.059 0.030 0.000 1.310 248 L HN 0.451 nan 8.230 nan 0.000 0.416 249 I N 6.477 127.042 120.570 -0.008 0.000 2.464 249 I HA 0.340 4.510 4.170 -0.000 0.000 0.277 249 I C -0.374 175.757 176.117 0.023 0.000 1.040 249 I CA -0.434 60.867 61.300 0.002 0.000 1.153 249 I CB 0.951 38.939 38.000 -0.020 0.000 1.274 249 I HN 0.499 nan 8.210 nan 0.000 0.469 250 I N 5.421 126.011 120.570 0.033 0.000 2.282 250 I HA 0.528 4.698 4.170 -0.000 0.000 0.290 250 I C 0.646 176.768 176.117 0.008 0.000 1.090 250 I CA -0.125 61.194 61.300 0.032 0.000 1.231 250 I CB 0.619 38.629 38.000 0.017 0.000 1.434 250 I HN 0.597 nan 8.210 nan 0.000 0.487 251 A N 4.517 127.348 122.820 0.018 0.000 2.344 251 A HA 0.410 4.730 4.320 -0.000 0.000 0.307 251 A C 1.027 178.622 177.584 0.019 0.000 1.151 251 A CA -0.571 51.475 52.037 0.014 0.000 0.842 251 A CB 1.228 20.240 19.000 0.020 0.000 1.350 251 A HN 0.699 nan 8.150 nan 0.000 0.459 252 E N -0.608 119.603 120.200 0.018 0.000 2.118 252 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 252 E C -0.590 176.034 176.600 0.039 0.000 0.992 252 E CA 1.511 57.927 56.400 0.026 0.000 0.804 252 E CB 0.169 29.885 29.700 0.026 0.000 0.741 252 E HN 0.565 nan 8.360 nan 0.000 0.458 253 D N -1.515 118.910 120.400 0.041 0.000 2.721 253 D HA 0.107 4.747 4.640 -0.000 0.000 0.221 253 D C -1.840 174.490 176.300 0.050 0.000 1.208 253 D CA -0.397 53.633 54.000 0.050 0.000 0.755 253 D CB 1.991 42.819 40.800 0.046 0.000 1.732 253 D HN -0.135 nan 8.370 nan 0.000 0.490 254 V N 3.514 123.466 119.914 0.064 0.000 2.334 254 V HA 0.458 4.578 4.120 -0.000 0.000 0.281 254 V C 0.022 176.163 176.094 0.079 0.000 1.016 254 V CA -0.499 61.842 62.300 0.068 0.000 0.832 254 V CB 1.375 33.242 31.823 0.075 0.000 0.999 254 V HN 0.353 nan 8.190 nan 0.000 0.439 255 E N 2.695 122.933 120.200 0.062 0.000 2.256 255 E HA 0.686 5.036 4.350 -0.000 0.000 0.267 255 E C 0.922 177.551 176.600 0.049 0.000 0.892 255 E CA -0.130 56.304 56.400 0.057 0.000 0.775 255 E CB 2.257 31.983 29.700 0.044 0.000 1.207 255 E HN 0.739 nan 8.360 nan 0.000 0.420 256 G N 2.408 111.235 108.800 0.045 0.000 2.793 256 G HA2 -0.464 3.496 3.960 -0.000 0.000 0.334 256 G HA3 -0.464 3.496 3.960 -0.000 0.000 0.334 256 G C 1.128 176.045 174.900 0.029 0.000 1.186 256 G CA 0.788 45.907 45.100 0.032 0.000 0.960 256 G HN 0.648 nan 8.290 nan 0.000 0.562 257 E N 1.490 121.705 120.200 0.024 0.000 2.047 257 E HA 0.026 4.376 4.350 -0.000 0.000 0.191 257 E C 3.016 179.634 176.600 0.031 0.000 0.987 257 E CA 1.842 58.254 56.400 0.021 0.000 0.799 257 E CB -0.474 29.235 29.700 0.016 0.000 0.752 257 E HN 0.774 nan 8.360 nan 0.000 0.449 258 A N 1.005 123.848 122.820 0.039 0.000 1.930 258 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 258 A C 2.152 179.783 177.584 0.078 0.000 1.175 258 A CA 1.114 53.181 52.037 0.049 0.000 0.627 258 A CB -0.458 18.568 19.000 0.044 0.000 0.815 258 A HN 0.311 nan 8.150 nan 0.000 0.443 259 L N -0.765 120.512 121.223 0.089 0.000 2.095 259 L HA 0.155 4.495 4.340 -0.000 0.000 0.204 259 L C 2.584 179.526 176.870 0.119 0.000 1.080 259 L CA 1.882 56.807 54.840 0.142 0.000 0.759 259 L CB -0.532 41.606 42.059 0.131 0.000 0.914 259 L HN 0.285 nan 8.230 nan 0.000 0.439 260 A N -1.901 120.950 122.820 0.050 0.000 2.066 260 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 260 A C 2.124 179.703 177.584 -0.009 0.000 1.157 260 A CA 1.740 53.774 52.037 -0.006 0.000 0.670 260 A CB -0.811 18.177 19.000 -0.019 0.000 0.804 260 A HN 0.485 nan 8.150 nan 0.000 0.453 261 T N 0.170 114.740 114.554 0.026 0.000 2.894 261 T HA 0.053 4.403 4.350 -0.000 0.000 0.258 261 T C 1.821 176.556 174.700 0.060 0.000 1.043 261 T CA 1.031 63.147 62.100 0.027 0.000 1.141 261 T CB -0.277 68.608 68.868 0.028 0.000 0.873 261 T HN 0.330 nan 8.240 nan 0.000 0.449 262 L N 0.998 122.291 121.223 0.117 0.000 1.994 262 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 262 L C 2.683 179.722 176.870 0.283 0.000 1.071 262 L CA 0.970 55.934 54.840 0.206 0.000 0.745 262 L CB -0.841 41.370 42.059 0.253 0.000 0.892 262 L HN 0.103 nan 8.230 nan 0.000 0.431 263 V N -0.558 119.471 119.914 0.191 0.000 2.439 263 V HA -0.292 3.828 4.120 -0.000 0.000 0.253 263 V C 2.270 178.277 176.094 -0.145 0.000 1.074 263 V CA 1.678 63.870 62.300 -0.181 0.000 1.076 263 V CB -0.394 31.212 31.823 -0.362 0.000 0.664 263 V HN 0.230 nan 8.190 nan 0.000 0.461 264 V N -0.343 119.527 119.914 -0.073 0.000 2.341 264 V HA -0.131 3.989 4.120 -0.000 0.000 0.240 264 V C 2.071 178.158 176.094 -0.012 0.000 1.035 264 V CA 1.916 64.171 62.300 -0.075 0.000 1.033 264 V CB -0.692 31.089 31.823 -0.071 0.000 0.678 264 V HN 0.555 nan 8.190 nan 0.000 0.464 265 N N 0.651 119.365 118.700 0.024 0.000 2.104 265 N HA -0.191 4.549 4.740 -0.000 0.000 0.190 265 N C 1.924 177.469 175.510 0.059 0.000 1.024 265 N CA 1.999 55.072 53.050 0.038 0.000 0.853 265 N CB -0.179 38.333 38.487 0.042 0.000 1.008 265 N HN 0.659 nan 8.380 nan 0.000 0.424 266 T N -0.872 113.745 114.554 0.105 0.000 2.915 266 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 266 T C 1.744 176.502 174.700 0.096 0.000 1.071 266 T CA 0.600 62.776 62.100 0.126 0.000 1.132 266 T CB -0.063 68.941 68.868 0.227 0.000 0.878 266 T HN 0.125 nan 8.240 nan 0.000 0.479 267 M N 0.090 119.729 119.600 0.065 0.000 2.506 267 M HA 0.208 4.688 4.480 -0.000 0.000 0.260 267 M C 2.082 178.394 176.300 0.021 0.000 1.104 267 M CA 0.705 56.026 55.300 0.036 0.000 1.112 267 M CB 0.036 32.634 32.600 -0.004 0.000 1.401 267 M HN 0.171 nan 8.290 nan 0.000 0.473 268 R N -0.650 119.861 120.500 0.018 0.000 2.297 268 R HA 0.153 4.493 4.340 -0.000 0.000 0.197 268 R C 1.296 177.606 176.300 0.017 0.000 0.943 268 R CA 0.679 56.785 56.100 0.011 0.000 1.038 268 R CB 0.232 30.536 30.300 0.006 0.000 0.957 268 R HN 0.605 nan 8.270 nan 0.000 0.484 269 G N 1.476 110.293 108.800 0.027 0.000 2.254 269 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.225 269 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.225 269 G C 0.350 175.268 174.900 0.030 0.000 1.003 269 G CA -0.256 44.861 45.100 0.027 0.000 0.622 269 G HN 0.236 nan 8.290 nan 0.000 0.507 270 I N 2.500 123.087 120.570 0.029 0.000 2.800 270 I HA 0.344 4.514 4.170 -0.000 0.000 0.309 270 I C 0.839 176.978 176.117 0.037 0.000 1.182 270 I CA 0.051 61.368 61.300 0.028 0.000 1.794 270 I CB -0.466 37.547 38.000 0.022 0.000 1.548 270 I HN 0.282 nan 8.210 nan 0.000 0.850 271 V N 3.955 123.892 119.914 0.038 0.000 3.548 271 V HA -0.227 3.893 4.120 -0.000 0.000 0.496 271 V C 0.285 176.412 176.094 0.055 0.000 0.682 271 V CA 0.289 62.615 62.300 0.044 0.000 2.033 271 V CB -1.118 30.728 31.823 0.037 0.000 2.463 271 V HN 0.717 nan 8.190 nan 0.000 0.506 272 K N 4.303 124.737 120.400 0.056 0.000 2.278 272 K HA 0.560 4.880 4.320 -0.000 0.000 0.289 272 K C -0.341 176.285 176.600 0.044 0.000 1.080 272 K CA 0.054 56.378 56.287 0.062 0.000 0.934 272 K CB 1.018 33.550 32.500 0.054 0.000 1.093 272 K HN 0.569 nan 8.250 nan 0.000 0.459 273 V N 1.822 121.755 119.914 0.032 0.000 2.680 273 V HA 0.769 4.889 4.120 -0.000 0.000 0.309 273 V C -0.348 175.609 176.094 -0.227 0.000 1.052 273 V CA -1.245 61.027 62.300 -0.046 0.000 0.908 273 V CB 1.882 33.689 31.823 -0.027 0.000 1.001 273 V HN 0.716 nan 8.190 nan 0.000 0.431 274 A N 2.964 125.607 122.820 -0.296 0.000 2.350 274 A HA 0.967 5.287 4.320 -0.000 0.000 0.324 274 A C -0.225 177.076 177.584 -0.473 0.000 1.118 274 A CA -0.410 51.295 52.037 -0.554 0.000 0.783 274 A CB 1.605 20.461 19.000 -0.239 0.000 1.236 274 A HN 1.427 nan 8.150 nan 0.000 0.457 275 A N 1.392 123.824 122.820 -0.647 0.000 2.318 275 A HA 0.753 5.073 4.320 -0.000 0.000 0.317 275 A C -0.282 177.289 177.584 -0.022 0.000 1.159 275 A CA -0.184 51.716 52.037 -0.228 0.000 0.799 275 A CB 0.752 19.673 19.000 -0.132 0.000 1.194 275 A HN 2.193 nan 8.150 nan 0.000 0.479 276 V N -0.251 119.693 119.914 0.050 0.000 3.114 276 V HA 0.620 4.740 4.120 -0.000 0.000 0.308 276 V C -0.408 175.766 176.094 0.133 0.000 1.168 276 V CA -1.208 61.167 62.300 0.124 0.000 1.015 276 V CB 1.473 33.396 31.823 0.167 0.000 1.050 276 V HN 0.857 nan 8.190 nan 0.000 0.433 277 K N 1.230 121.719 120.400 0.148 0.000 2.120 277 K HA 0.740 5.060 4.320 -0.000 0.000 0.245 277 K C 0.156 176.815 176.600 0.099 0.000 1.024 277 K CA 0.038 56.394 56.287 0.114 0.000 0.906 277 K CB 1.304 33.865 32.500 0.103 0.000 1.051 277 K HN 1.105 nan 8.250 nan 0.000 0.491 278 A N 2.854 125.689 122.820 0.025 0.000 2.309 278 A HA 0.328 4.648 4.320 -0.000 0.000 0.290 278 A C -2.307 175.243 177.584 -0.057 0.000 1.206 278 A CA -1.557 50.435 52.037 -0.076 0.000 0.850 278 A CB -0.065 18.900 19.000 -0.058 0.000 1.118 278 A HN 0.339 nan 8.150 nan 0.000 0.523 279 P HA 0.288 nan 4.420 nan 0.000 0.267 279 P C 1.075 178.389 177.300 0.023 0.000 1.201 279 P CA 1.691 64.769 63.100 -0.036 0.000 0.775 279 P CB 0.455 32.056 31.700 -0.165 0.000 0.854 280 G N 1.343 110.215 108.800 0.120 0.000 2.622 280 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.272 280 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.272 280 G C -0.779 174.294 174.900 0.288 0.000 1.308 280 G CA 0.248 45.470 45.100 0.202 0.000 0.919 280 G HN 0.676 nan 8.290 nan 0.000 0.565 281 F N -2.339 117.620 119.950 0.015 0.000 2.608 281 F HA 0.704 5.231 4.527 -0.000 0.000 0.309 281 F C 0.952 176.761 175.800 0.014 0.000 1.103 281 F CA 0.186 58.194 58.000 0.015 0.000 0.954 281 F CB 1.182 40.196 39.000 0.023 0.000 1.267 281 F HN 2.329 nan 8.300 nan 0.000 0.444 282 G N 2.402 111.251 108.800 0.082 0.000 2.687 282 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.303 282 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.303 282 G C 0.553 175.422 174.900 -0.052 0.000 1.209 282 G CA 0.837 45.943 45.100 0.009 0.000 0.968 282 G HN 0.735 nan 8.290 nan 0.000 0.549 283 D N 0.928 121.267 120.400 -0.101 0.000 2.085 283 D HA 0.006 4.646 4.640 -0.000 0.000 0.199 283 D C 2.500 178.739 176.300 -0.100 0.000 0.981 283 D CA 1.637 55.586 54.000 -0.085 0.000 0.834 283 D CB -0.333 40.419 40.800 -0.079 0.000 0.992 283 D HN 0.664 nan 8.370 nan 0.000 0.457 284 R N 0.964 121.374 120.500 -0.150 0.000 2.280 284 R HA 0.052 4.392 4.340 -0.000 0.000 0.207 284 R C 1.992 178.225 176.300 -0.112 0.000 1.043 284 R CA 0.633 56.651 56.100 -0.135 0.000 1.006 284 R CB -0.063 30.137 30.300 -0.167 0.000 0.885 284 R HN 0.023 nan 8.270 nan 0.000 0.467 285 R N 1.506 121.946 120.500 -0.101 0.000 2.073 285 R HA -0.066 4.274 4.340 -0.000 0.000 0.229 285 R C 1.284 177.543 176.300 -0.068 0.000 1.120 285 R CA 1.599 57.660 56.100 -0.064 0.000 0.967 285 R CB -0.050 30.242 30.300 -0.014 0.000 0.862 285 R HN 0.273 nan 8.270 nan 0.000 0.436 286 K N 0.229 120.595 120.400 -0.057 0.000 2.097 286 K HA -0.041 4.279 4.320 -0.000 0.000 0.206 286 K C 2.079 178.646 176.600 -0.055 0.000 1.049 286 K CA 1.345 57.603 56.287 -0.049 0.000 0.933 286 K CB -0.104 32.374 32.500 -0.037 0.000 0.717 286 K HN 0.222 nan 8.250 nan 0.000 0.442 287 A N 1.010 123.793 122.820 -0.061 0.000 2.014 287 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 287 A C 1.992 179.536 177.584 -0.066 0.000 1.163 287 A CA 1.153 53.154 52.037 -0.059 0.000 0.652 287 A CB -0.350 18.614 19.000 -0.060 0.000 0.808 287 A HN 0.181 nan 8.150 nan 0.000 0.449 288 M N -0.896 118.654 119.600 -0.083 0.000 2.514 288 M HA 0.135 4.615 4.480 -0.000 0.000 0.258 288 M C 1.752 177.976 176.300 -0.127 0.000 1.119 288 M CA 0.481 55.720 55.300 -0.103 0.000 1.111 288 M CB -0.208 32.319 32.600 -0.122 0.000 1.390 288 M HN 0.325 nan 8.290 nan 0.000 0.475 289 L N 0.051 121.207 121.223 -0.112 0.000 2.046 289 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 289 L C 2.630 179.459 176.870 -0.068 0.000 1.077 289 L CA 1.270 56.050 54.840 -0.100 0.000 0.747 289 L CB -0.492 41.523 42.059 -0.074 0.000 0.896 289 L HN 0.275 nan 8.230 nan 0.000 0.432 290 Q N 0.173 119.940 119.800 -0.055 0.000 2.167 290 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 290 Q C 1.509 177.487 176.000 -0.037 0.000 0.970 290 Q CA 1.553 57.332 55.803 -0.039 0.000 0.855 290 Q CB -0.107 28.611 28.738 -0.034 0.000 0.911 290 Q HN 0.343 nan 8.270 nan 0.000 0.438 291 D N -1.025 119.346 120.400 -0.048 0.000 2.310 291 D HA -0.047 4.593 4.640 -0.000 0.000 0.212 291 D C 1.100 177.382 176.300 -0.030 0.000 0.965 291 D CA 0.816 54.793 54.000 -0.038 0.000 0.879 291 D CB 0.181 40.953 40.800 -0.046 0.000 0.921 291 D HN 0.418 nan 8.370 nan 0.000 0.510 292 I N -0.433 120.111 120.570 -0.043 0.000 3.039 292 I HA 0.080 4.250 4.170 -0.000 0.000 0.270 292 I C 2.303 178.415 176.117 -0.008 0.000 1.150 292 I CA 0.293 61.578 61.300 -0.025 0.000 1.448 292 I CB -0.128 37.837 38.000 -0.058 0.000 1.197 292 I HN -0.140 nan 8.210 nan 0.000 0.450 293 A N 1.159 123.969 122.820 -0.016 0.000 1.908 293 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 293 A C 2.375 179.959 177.584 -0.000 0.000 1.181 293 A CA 2.687 54.721 52.037 -0.005 0.000 0.627 293 A CB -1.204 17.790 19.000 -0.010 0.000 0.818 293 A HN 0.427 nan 8.150 nan 0.000 0.445 294 T N 0.339 114.890 114.554 -0.005 0.000 2.737 294 T HA -0.085 4.265 4.350 -0.000 0.000 0.265 294 T C 1.840 176.541 174.700 0.002 0.000 1.038 294 T CA 1.128 63.227 62.100 -0.003 0.000 1.144 294 T CB -0.375 68.489 68.868 -0.007 0.000 0.866 294 T HN 0.270 nan 8.240 nan 0.000 0.434 295 L N 2.104 123.329 121.223 0.003 0.000 2.127 295 L HA -0.109 4.231 4.340 -0.000 0.000 0.211 295 L C 2.289 179.165 176.870 0.010 0.000 1.089 295 L CA 2.397 57.242 54.840 0.009 0.000 0.757 295 L CB -1.303 40.766 42.059 0.017 0.000 0.899 295 L HN 0.532 nan 8.230 nan 0.000 0.434 296 T N -4.880 109.681 114.554 0.012 0.000 2.990 296 T HA 0.262 4.612 4.350 -0.000 0.000 0.249 296 T C 1.271 175.979 174.700 0.012 0.000 1.039 296 T CA 0.526 62.634 62.100 0.012 0.000 1.036 296 T CB 0.272 69.153 68.868 0.022 0.000 0.994 296 T HN 0.464 nan 8.240 nan 0.000 0.489 297 G N 0.782 109.591 108.800 0.014 0.000 2.204 297 G HA2 0.153 4.113 3.960 -0.000 0.000 0.244 297 G HA3 0.153 4.113 3.960 -0.000 0.000 0.244 297 G C 0.205 175.123 174.900 0.030 0.000 1.062 297 G CA -0.266 44.845 45.100 0.018 0.000 0.798 297 G HN 1.041 nan 8.290 nan 0.000 0.496 298 G N -1.305 107.512 108.800 0.028 0.000 2.537 298 G HA2 0.775 4.735 3.960 -0.000 0.000 0.308 298 G HA3 0.775 4.735 3.960 -0.000 0.000 0.308 298 G C -0.435 174.477 174.900 0.020 0.000 1.237 298 G CA 0.031 45.152 45.100 0.035 0.000 0.968 298 G HN 0.609 nan 8.290 nan 0.000 0.481 299 T N 0.785 115.350 114.554 0.019 0.000 2.758 299 T HA 0.368 4.718 4.350 -0.000 0.000 0.285 299 T C 0.260 174.962 174.700 0.003 0.000 0.981 299 T CA -0.294 61.811 62.100 0.008 0.000 0.965 299 T CB 1.573 70.445 68.868 0.007 0.000 0.927 299 T HN 0.341 nan 8.240 nan 0.000 0.448 300 V N 5.230 125.142 119.914 -0.004 0.000 2.450 300 V HA 0.108 4.228 4.120 -0.000 0.000 0.281 300 V C 0.562 176.652 176.094 -0.006 0.000 1.019 300 V CA 0.113 62.408 62.300 -0.009 0.000 1.062 300 V CB -0.353 31.460 31.823 -0.016 0.000 0.979 300 V HN 0.785 nan 8.190 nan 0.000 0.477 301 I N 5.651 126.219 120.570 -0.005 0.000 2.243 301 I HA 0.182 4.352 4.170 -0.000 0.000 0.289 301 I C 0.831 176.945 176.117 -0.004 0.000 1.140 301 I CA 0.099 61.397 61.300 -0.004 0.000 1.289 301 I CB 0.105 38.103 38.000 -0.003 0.000 1.498 301 I HN 0.706 nan 8.210 nan 0.000 0.561 302 S N 2.304 118.001 115.700 -0.005 0.000 2.652 302 S HA 0.340 4.810 4.470 -0.000 0.000 0.270 302 S C 0.737 175.335 174.600 -0.002 0.000 1.243 302 S CA -0.749 57.448 58.200 -0.004 0.000 0.999 302 S CB 1.732 64.928 63.200 -0.006 0.000 0.973 302 S HN 0.523 nan 8.310 nan 0.000 0.544 303 E N 0.402 120.601 120.200 -0.001 0.000 2.340 303 E HA -0.031 4.319 4.350 -0.000 0.000 0.194 303 E C 1.507 178.107 176.600 -0.000 0.000 0.996 303 E CA 0.298 56.699 56.400 0.000 0.000 0.869 303 E CB -0.047 29.655 29.700 0.003 0.000 0.835 303 E HN 0.751 nan 8.360 nan 0.000 0.493 304 E N 1.002 121.202 120.200 -0.001 0.000 2.118 304 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 304 E C 1.925 178.524 176.600 -0.002 0.000 0.992 304 E CA 0.934 57.333 56.400 -0.001 0.000 0.804 304 E CB -0.023 29.675 29.700 -0.002 0.000 0.741 304 E HN 0.307 nan 8.360 nan 0.000 0.458 305 I N -0.894 119.674 120.570 -0.003 0.000 2.617 305 I HA 0.001 4.171 4.170 -0.000 0.000 0.256 305 I C 1.637 177.753 176.117 -0.003 0.000 1.167 305 I CA 0.790 62.088 61.300 -0.003 0.000 1.469 305 I CB 0.065 38.063 38.000 -0.004 0.000 1.098 305 I HN 0.296 nan 8.210 nan 0.000 0.436 306 G N 0.772 109.571 108.800 -0.002 0.000 2.192 306 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.193 306 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.193 306 G C 0.311 175.210 174.900 -0.002 0.000 0.999 306 G CA -0.520 44.579 45.100 -0.002 0.000 0.659 306 G HN 0.149 nan 8.290 nan 0.000 0.503 307 M N 1.077 120.675 119.600 -0.003 0.000 2.238 307 M HA 0.419 4.899 4.480 -0.000 0.000 0.347 307 M C 0.565 176.863 176.300 -0.003 0.000 1.173 307 M CA 0.702 56.000 55.300 -0.003 0.000 1.147 307 M CB 0.569 33.166 32.600 -0.004 0.000 1.547 307 M HN 0.289 nan 8.290 nan 0.000 0.455 308 E N 1.608 121.806 120.200 -0.004 0.000 2.264 308 E HA 0.306 4.656 4.350 -0.000 0.000 0.260 308 E C 0.250 176.847 176.600 -0.005 0.000 0.961 308 E CA -0.671 55.727 56.400 -0.003 0.000 0.834 308 E CB 1.584 31.282 29.700 -0.003 0.000 1.230 308 E HN 0.623 nan 8.360 nan 0.000 0.412 309 L N 0.912 122.132 121.223 -0.004 0.000 2.313 309 L HA -0.078 4.262 4.340 -0.000 0.000 0.214 309 L C 1.664 178.528 176.870 -0.010 0.000 1.119 309 L CA 0.866 55.702 54.840 -0.006 0.000 0.809 309 L CB -0.142 41.915 42.059 -0.003 0.000 0.933 309 L HN 0.536 nan 8.230 nan 0.000 0.449 310 E N 0.252 120.447 120.200 -0.009 0.000 2.046 310 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 310 E C 1.524 178.116 176.600 -0.014 0.000 0.982 310 E CA 0.793 57.187 56.400 -0.011 0.000 0.800 310 E CB 0.077 29.772 29.700 -0.008 0.000 0.756 310 E HN 0.137 nan 8.360 nan 0.000 0.449 311 K N 0.641 121.034 120.400 -0.011 0.000 2.591 311 K HA 0.182 4.502 4.320 -0.000 0.000 0.197 311 K C -0.140 176.451 176.600 -0.015 0.000 1.026 311 K CA 0.090 56.370 56.287 -0.012 0.000 1.127 311 K CB 0.140 32.635 32.500 -0.009 0.000 0.871 311 K HN 0.034 nan 8.250 nan 0.000 0.507 312 A N 1.452 124.261 122.820 -0.019 0.000 2.310 312 A HA 0.429 4.749 4.320 -0.000 0.000 0.299 312 A C 0.493 178.055 177.584 -0.037 0.000 1.147 312 A CA -0.387 51.635 52.037 -0.024 0.000 0.818 312 A CB 0.599 19.585 19.000 -0.023 0.000 1.096 312 A HN 0.256 nan 8.150 nan 0.000 0.495 313 T N -0.700 113.830 114.554 -0.040 0.000 2.858 313 T HA 0.527 4.877 4.350 -0.000 0.000 0.285 313 T C 0.893 175.546 174.700 -0.078 0.000 1.052 313 T CA -0.657 61.409 62.100 -0.058 0.000 1.009 313 T CB 0.469 69.314 68.868 -0.039 0.000 1.241 313 T HN 0.275 nan 8.240 nan 0.000 0.542 314 L N 0.102 121.258 121.223 -0.112 0.000 2.191 314 L HA 0.034 4.374 4.340 -0.000 0.000 0.212 314 L C 2.880 179.735 176.870 -0.024 0.000 1.103 314 L CA 1.382 56.120 54.840 -0.171 0.000 0.769 314 L CB -0.394 41.529 42.059 -0.226 0.000 0.908 314 L HN 0.829 nan 8.230 nan 0.000 0.438 315 E N -0.156 120.048 120.200 0.007 0.000 2.274 315 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 315 E C 1.198 177.822 176.600 0.040 0.000 0.996 315 E CA 0.651 57.076 56.400 0.042 0.000 0.840 315 E CB 0.225 29.939 29.700 0.024 0.000 0.772 315 E HN 0.449 nan 8.360 nan 0.000 0.491 316 D N -0.006 120.406 120.400 0.020 0.000 2.312 316 D HA -0.044 4.596 4.640 -0.000 0.000 0.211 316 D C -0.152 176.171 176.300 0.038 0.000 0.964 316 D CA 0.484 54.496 54.000 0.019 0.000 0.877 316 D CB 0.193 40.994 40.800 0.001 0.000 0.924 316 D HN 0.090 nan 8.370 nan 0.000 0.515 317 L N 0.651 121.914 121.223 0.067 0.000 2.275 317 L HA 0.388 4.728 4.340 -0.000 0.000 0.288 317 L C 1.325 178.289 176.870 0.157 0.000 1.046 317 L CA -0.473 54.438 54.840 0.118 0.000 0.805 317 L CB 1.340 43.496 42.059 0.162 0.000 1.193 317 L HN -0.158 nan 8.230 nan 0.000 0.426 318 G N 2.272 111.134 108.800 0.104 0.000 2.647 318 G HA2 0.332 4.292 3.960 -0.000 0.000 0.271 318 G HA3 0.332 4.292 3.960 -0.000 0.000 0.271 318 G C -0.701 174.238 174.900 0.065 0.000 1.300 318 G CA -0.160 44.984 45.100 0.073 0.000 0.997 318 G HN 0.576 nan 8.290 nan 0.000 0.533 319 Q N -2.112 117.689 119.800 0.002 0.000 2.386 319 Q HA 0.541 4.881 4.340 -0.000 0.000 0.274 319 Q C -1.045 174.918 176.000 -0.063 0.000 1.011 319 Q CA -0.684 55.073 55.803 -0.078 0.000 0.867 319 Q CB 2.057 30.692 28.738 -0.171 0.000 1.409 319 Q HN 0.955 nan 8.270 nan 0.000 0.395 320 A N 1.812 124.586 122.820 -0.078 0.000 2.530 320 A HA 0.514 4.834 4.320 -0.000 0.000 0.288 320 A C -0.372 177.171 177.584 -0.069 0.000 1.172 320 A CA -0.554 51.452 52.037 -0.053 0.000 0.733 320 A CB 1.528 20.515 19.000 -0.021 0.000 1.320 320 A HN 0.784 nan 8.150 nan 0.000 0.419 321 K N -0.671 119.700 120.400 -0.048 0.000 2.217 321 K HA 0.052 4.372 4.320 -0.000 0.000 0.202 321 K C 0.584 177.160 176.600 -0.040 0.000 1.051 321 K CA 1.096 57.355 56.287 -0.047 0.000 0.952 321 K CB 0.159 32.639 32.500 -0.033 0.000 0.736 321 K HN 0.537 nan 8.250 nan 0.000 0.453 322 R N -0.329 120.153 120.500 -0.030 0.000 2.728 322 R HA 0.134 4.474 4.340 -0.000 0.000 0.259 322 R C -2.082 174.210 176.300 -0.013 0.000 1.057 322 R CA -0.507 55.581 56.100 -0.020 0.000 0.908 322 R CB 1.601 31.892 30.300 -0.016 0.000 1.259 322 R HN -0.068 nan 8.270 nan 0.000 0.472 323 V N 0.251 120.160 119.914 -0.008 0.000 2.686 323 V HA 0.766 4.886 4.120 -0.000 0.000 0.306 323 V C -0.893 175.198 176.094 -0.005 0.000 1.065 323 V CA -0.779 61.518 62.300 -0.006 0.000 0.894 323 V CB 1.902 33.727 31.823 0.003 0.000 1.004 323 V HN 0.403 nan 8.190 nan 0.000 0.424 324 V N 5.334 125.238 119.914 -0.015 0.000 2.513 324 V HA 0.619 4.739 4.120 -0.000 0.000 0.299 324 V C -0.220 175.861 176.094 -0.021 0.000 1.035 324 V CA -0.406 61.890 62.300 -0.007 0.000 0.889 324 V CB 1.658 33.478 31.823 -0.006 0.000 0.988 324 V HN 0.853 nan 8.190 nan 0.000 0.440 325 I N 4.087 124.673 120.570 0.026 0.000 2.542 325 I HA 0.372 4.542 4.170 -0.000 0.000 0.278 325 I C -0.029 176.171 176.117 0.139 0.000 1.069 325 I CA -0.418 60.911 61.300 0.048 0.000 1.100 325 I CB 1.348 39.411 38.000 0.104 0.000 1.204 325 I HN 0.540 nan 8.210 nan 0.000 0.470 326 N N 4.230 122.948 118.700 0.029 0.000 2.294 326 N HA 0.110 4.850 4.740 -0.000 0.000 0.275 326 N C 1.254 176.630 175.510 -0.224 0.000 1.291 326 N CA -0.121 52.943 53.050 0.023 0.000 0.933 326 N CB 0.598 39.069 38.487 -0.027 0.000 1.096 326 N HN 0.504 nan 8.380 nan 0.000 0.525 327 K N 0.078 120.308 120.400 -0.284 0.000 2.217 327 K HA -0.122 4.198 4.320 -0.000 0.000 0.202 327 K C -0.446 175.835 176.600 -0.533 0.000 1.051 327 K CA 1.640 57.548 56.287 -0.631 0.000 0.952 327 K CB 0.053 32.431 32.500 -0.203 0.000 0.736 327 K HN 0.600 nan 8.250 nan 0.000 0.453 328 D N -1.536 118.691 120.400 -0.289 0.000 2.563 328 D HA 0.084 4.724 4.640 -0.000 0.000 0.256 328 D C -0.804 175.414 176.300 -0.136 0.000 1.400 328 D CA -0.409 53.483 54.000 -0.180 0.000 0.800 328 D CB 0.883 41.621 40.800 -0.103 0.000 1.145 328 D HN -0.167 nan 8.370 nan 0.000 0.501 329 T N -0.036 114.418 114.554 -0.167 0.000 2.916 329 T HA 0.618 4.968 4.350 -0.000 0.000 0.298 329 T C -0.916 173.623 174.700 -0.269 0.000 1.031 329 T CA -0.495 61.493 62.100 -0.187 0.000 0.993 329 T CB 2.127 70.926 68.868 -0.115 0.000 1.045 329 T HN -0.132 nan 8.240 nan 0.000 0.454 330 T N 2.285 116.528 114.554 -0.518 0.000 2.815 330 T HA 0.528 4.878 4.350 -0.000 0.000 0.289 330 T C -0.197 174.157 174.700 -0.577 0.000 1.000 330 T CA -0.483 61.270 62.100 -0.578 0.000 0.958 330 T CB 1.492 69.927 68.868 -0.722 0.000 0.944 330 T HN 0.570 nan 8.240 nan 0.000 0.442 331 T N 3.735 118.132 114.554 -0.262 0.000 2.824 331 T HA 0.697 5.047 4.350 -0.000 0.000 0.280 331 T C -0.457 174.205 174.700 -0.063 0.000 0.995 331 T CA -0.680 61.334 62.100 -0.144 0.000 1.009 331 T CB 0.094 68.910 68.868 -0.087 0.000 0.955 331 T HN 0.455 nan 8.240 nan 0.000 0.452 332 I N 5.931 126.497 120.570 -0.007 0.000 2.362 332 I HA 0.460 4.630 4.170 -0.000 0.000 0.289 332 I C -0.372 175.754 176.117 0.014 0.000 0.994 332 I CA -0.792 60.523 61.300 0.026 0.000 1.158 332 I CB 1.668 39.714 38.000 0.077 0.000 1.315 332 I HN 0.522 nan 8.210 nan 0.000 0.451 333 I N 5.331 125.902 120.570 0.003 0.000 2.330 333 I HA 0.270 4.440 4.170 -0.000 0.000 0.289 333 I C -0.453 175.661 176.117 -0.006 0.000 1.001 333 I CA -0.379 60.919 61.300 -0.003 0.000 1.193 333 I CB 1.074 39.069 38.000 -0.009 0.000 1.345 333 I HN 0.596 nan 8.210 nan 0.000 0.461 334 D N 5.092 125.490 120.400 -0.004 0.000 3.133 334 D HA -0.119 4.521 4.640 -0.000 0.000 0.239 334 D C 0.396 176.690 176.300 -0.010 0.000 1.136 334 D CA 0.931 54.926 54.000 -0.008 0.000 0.898 334 D CB -0.213 40.578 40.800 -0.014 0.000 0.959 334 D HN 0.829 nan 8.370 nan 0.000 0.415 335 G N 0.336 109.135 108.800 -0.003 0.000 2.491 335 G HA2 0.282 4.242 3.960 -0.000 0.000 0.238 335 G HA3 0.282 4.242 3.960 -0.000 0.000 0.238 335 G C 1.472 176.365 174.900 -0.010 0.000 1.277 335 G CA -0.249 44.849 45.100 -0.003 0.000 0.851 335 G HN 0.331 nan 8.290 nan 0.000 0.573 336 V N 2.500 122.405 119.914 -0.016 0.000 2.667 336 V HA 0.017 4.137 4.120 -0.000 0.000 0.252 336 V C 2.263 178.353 176.094 -0.007 0.000 1.065 336 V CA 1.273 63.562 62.300 -0.018 0.000 1.083 336 V CB -1.033 30.773 31.823 -0.028 0.000 0.692 336 V HN 0.872 nan 8.190 nan 0.000 0.468 337 G N 0.829 109.628 108.800 -0.002 0.000 2.474 337 G HA2 0.042 4.002 3.960 -0.000 0.000 0.233 337 G HA3 0.042 4.002 3.960 -0.000 0.000 0.233 337 G C -0.066 174.834 174.900 -0.000 0.000 1.278 337 G CA -0.294 44.807 45.100 0.002 0.000 0.861 337 G HN 0.338 nan 8.290 nan 0.000 0.567 338 E N 1.231 121.431 120.200 0.000 0.000 2.360 338 E HA 0.019 4.369 4.350 -0.000 0.000 0.269 338 E C 1.153 177.752 176.600 -0.001 0.000 1.022 338 E CA 0.012 56.412 56.400 -0.001 0.000 0.887 338 E CB 1.150 30.849 29.700 -0.000 0.000 0.990 338 E HN 0.691 nan 8.360 nan 0.000 0.426 339 E N 1.559 121.758 120.200 -0.002 0.000 2.401 339 E HA -0.155 4.195 4.350 -0.000 0.000 0.199 339 E C 1.484 178.083 176.600 -0.003 0.000 1.023 339 E CA 0.786 57.185 56.400 -0.003 0.000 0.859 339 E CB 0.071 29.769 29.700 -0.003 0.000 0.780 339 E HN 0.525 nan 8.360 nan 0.000 0.523 340 A N 1.669 124.487 122.820 -0.003 0.000 1.854 340 A HA 0.023 4.343 4.320 -0.000 0.000 0.214 340 A C 2.434 180.016 177.584 -0.003 0.000 1.192 340 A CA 1.290 53.326 52.037 -0.003 0.000 0.611 340 A CB -0.626 18.373 19.000 -0.002 0.000 0.832 340 A HN 0.295 nan 8.150 nan 0.000 0.442 341 A N 0.242 123.061 122.820 -0.002 0.000 1.883 341 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 341 A C 2.103 179.684 177.584 -0.004 0.000 1.186 341 A CA 1.556 53.591 52.037 -0.003 0.000 0.624 341 A CB -0.737 18.262 19.000 -0.001 0.000 0.822 341 A HN 0.509 nan 8.150 nan 0.000 0.444 342 I N -1.076 119.492 120.570 -0.003 0.000 2.039 342 I HA -0.326 3.844 4.170 -0.000 0.000 0.233 342 I C 2.692 178.806 176.117 -0.005 0.000 1.040 342 I CA 2.059 63.357 61.300 -0.004 0.000 1.308 342 I CB -0.599 37.400 38.000 -0.002 0.000 1.035 342 I HN 0.330 nan 8.210 nan 0.000 0.392 343 Q N 1.154 120.951 119.800 -0.005 0.000 2.439 343 Q HA -0.111 4.229 4.340 -0.000 0.000 0.211 343 Q C 1.812 177.807 176.000 -0.007 0.000 0.978 343 Q CA 1.505 57.304 55.803 -0.006 0.000 0.897 343 Q CB -0.444 28.291 28.738 -0.005 0.000 0.956 343 Q HN 0.573 nan 8.270 nan 0.000 0.483 344 G N -0.744 108.052 108.800 -0.007 0.000 2.494 344 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 344 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 344 G C 1.525 176.419 174.900 -0.009 0.000 1.140 344 G CA 0.408 45.504 45.100 -0.007 0.000 0.801 344 G HN 0.238 nan 8.290 nan 0.000 0.536 345 R N 0.269 120.763 120.500 -0.010 0.000 2.127 345 R HA 0.140 4.480 4.340 -0.000 0.000 0.217 345 R C 2.413 178.704 176.300 -0.015 0.000 1.074 345 R CA 0.809 56.901 56.100 -0.013 0.000 0.991 345 R CB -0.655 29.637 30.300 -0.013 0.000 0.895 345 R HN 0.163 nan 8.270 nan 0.000 0.450 346 V N 0.587 120.494 119.914 -0.013 0.000 2.343 346 V HA -0.161 3.959 4.120 -0.000 0.000 0.247 346 V C 2.194 178.279 176.094 -0.014 0.000 1.051 346 V CA 1.989 64.281 62.300 -0.013 0.000 1.036 346 V CB -0.709 31.108 31.823 -0.010 0.000 0.654 346 V HN 0.491 nan 8.190 nan 0.000 0.451 347 A N -1.428 121.385 122.820 -0.012 0.000 2.072 347 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 347 A C 2.149 179.725 177.584 -0.013 0.000 1.156 347 A CA 0.861 52.890 52.037 -0.012 0.000 0.701 347 A CB -0.253 18.741 19.000 -0.010 0.000 0.816 347 A HN 0.580 nan 8.150 nan 0.000 0.458 348 Q N -0.263 119.528 119.800 -0.014 0.000 2.020 348 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 348 Q C 1.911 177.899 176.000 -0.019 0.000 0.982 348 Q CA 1.794 57.588 55.803 -0.016 0.000 0.838 348 Q CB -0.311 28.417 28.738 -0.017 0.000 0.899 348 Q HN 0.755 nan 8.270 nan 0.000 0.423 349 I N -0.047 120.509 120.570 -0.022 0.000 2.353 349 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 349 I C 2.494 178.595 176.117 -0.026 0.000 1.119 349 I CA 0.815 62.099 61.300 -0.028 0.000 1.417 349 I CB -0.228 37.754 38.000 -0.031 0.000 1.078 349 I HN 0.076 nan 8.210 nan 0.000 0.421 350 R N 0.796 121.283 120.500 -0.022 0.000 2.159 350 R HA -0.214 4.126 4.340 -0.000 0.000 0.237 350 R C 2.306 178.595 176.300 -0.018 0.000 1.131 350 R CA 1.374 57.462 56.100 -0.019 0.000 0.982 350 R CB -0.121 30.170 30.300 -0.016 0.000 0.868 350 R HN 0.437 nan 8.270 nan 0.000 0.453 351 Q N -0.191 119.599 119.800 -0.017 0.000 2.269 351 Q HA -0.101 4.239 4.340 -0.000 0.000 0.201 351 Q C 1.390 177.380 176.000 -0.017 0.000 0.946 351 Q CA 0.840 56.634 55.803 -0.015 0.000 0.877 351 Q CB 0.346 29.076 28.738 -0.013 0.000 0.963 351 Q HN 0.470 nan 8.270 nan 0.000 0.472 352 Q N -0.022 119.766 119.800 -0.021 0.000 2.488 352 Q HA -0.005 4.335 4.340 -0.000 0.000 0.211 352 Q C 1.628 177.612 176.000 -0.027 0.000 0.967 352 Q CA 0.379 56.168 55.803 -0.024 0.000 0.926 352 Q CB 0.241 28.961 28.738 -0.029 0.000 0.992 352 Q HN 0.439 nan 8.270 nan 0.000 0.506 353 I N 0.473 121.028 120.570 -0.026 0.000 2.500 353 I HA -0.181 3.989 4.170 -0.000 0.000 0.252 353 I C 1.789 177.894 176.117 -0.019 0.000 1.142 353 I CA 0.685 61.969 61.300 -0.026 0.000 1.451 353 I CB 0.075 38.060 38.000 -0.026 0.000 1.093 353 I HN 0.115 nan 8.210 nan 0.000 0.430 354 E N 0.909 121.100 120.200 -0.015 0.000 2.208 354 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 354 E C 1.548 178.142 176.600 -0.010 0.000 0.988 354 E CA 0.880 57.273 56.400 -0.011 0.000 0.828 354 E CB -0.161 29.533 29.700 -0.010 0.000 0.763 354 E HN 0.576 nan 8.360 nan 0.000 0.478 355 E N 0.632 120.825 120.200 -0.012 0.000 2.478 355 E HA 0.161 4.511 4.350 -0.000 0.000 0.194 355 E C 0.248 176.843 176.600 -0.010 0.000 1.045 355 E CA -0.105 56.289 56.400 -0.010 0.000 0.868 355 E CB 0.435 30.128 29.700 -0.012 0.000 0.885 355 E HN 0.045 nan 8.360 nan 0.000 0.505 356 A N 1.464 124.277 122.820 -0.012 0.000 2.451 356 A HA 0.105 4.425 4.320 -0.000 0.000 0.266 356 A C 1.121 178.705 177.584 -0.001 0.000 1.119 356 A CA -0.115 51.916 52.037 -0.010 0.000 0.786 356 A CB 0.033 19.021 19.000 -0.020 0.000 1.061 356 A HN 0.186 nan 8.150 nan 0.000 0.503 357 T N -0.519 114.038 114.554 0.005 0.000 3.122 357 T HA 0.352 4.702 4.350 -0.000 0.000 0.250 357 T C 0.575 175.287 174.700 0.021 0.000 1.067 357 T CA 0.458 62.565 62.100 0.011 0.000 0.966 357 T CB -0.257 68.617 68.868 0.010 0.000 1.002 357 T HN 0.790 nan 8.240 nan 0.000 0.542 358 S N -0.754 114.964 115.700 0.029 0.000 2.651 358 S HA 0.386 4.856 4.470 -0.000 0.000 0.279 358 S C -0.246 174.383 174.600 0.050 0.000 1.148 358 S CA -0.645 57.584 58.200 0.048 0.000 0.837 358 S CB 1.649 64.896 63.200 0.077 0.000 1.138 358 S HN 0.047 nan 8.310 nan 0.000 0.478 359 D N 0.697 121.137 120.400 0.066 0.000 2.149 359 D HA -0.039 4.601 4.640 -0.000 0.000 0.201 359 D C 1.306 177.657 176.300 0.085 0.000 0.972 359 D CA 1.231 55.267 54.000 0.061 0.000 0.835 359 D CB -0.187 40.650 40.800 0.061 0.000 0.966 359 D HN 0.638 nan 8.370 nan 0.000 0.476 360 Y N 2.284 122.584 120.300 -0.001 0.000 2.133 360 Y HA -0.183 4.367 4.550 -0.000 0.000 0.287 360 Y C 1.619 177.513 175.900 -0.009 0.000 1.134 360 Y CA 1.703 59.802 58.100 -0.002 0.000 1.133 360 Y CB -0.251 38.209 38.460 0.001 0.000 0.987 360 Y HN -0.213 nan 8.280 nan 0.000 0.502 361 D N -0.036 120.327 120.400 -0.061 0.000 2.158 361 D HA -0.196 4.444 4.640 -0.000 0.000 0.197 361 D C 2.241 178.438 176.300 -0.172 0.000 0.995 361 D CA 1.564 55.468 54.000 -0.159 0.000 0.846 361 D CB -0.341 40.448 40.800 -0.018 0.000 0.941 361 D HN 0.308 nan 8.370 nan 0.000 0.456 362 R N 0.503 120.943 120.500 -0.099 0.000 2.081 362 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 362 R C 1.770 178.007 176.300 -0.104 0.000 1.131 362 R CA 1.263 57.315 56.100 -0.079 0.000 0.960 362 R CB 0.037 30.314 30.300 -0.038 0.000 0.856 362 R HN 0.260 nan 8.270 nan 0.000 0.436 363 E N -0.396 119.724 120.200 -0.133 0.000 2.274 363 E HA -0.111 4.239 4.350 -0.000 0.000 0.194 363 E C 1.651 178.154 176.600 -0.161 0.000 0.996 363 E CA 0.564 56.892 56.400 -0.121 0.000 0.840 363 E CB 0.270 29.916 29.700 -0.090 0.000 0.772 363 E HN 0.117 nan 8.360 nan 0.000 0.491 364 K N 0.283 120.527 120.400 -0.260 0.000 2.262 364 K HA 0.058 4.378 4.320 -0.000 0.000 0.200 364 K C 1.993 178.501 176.600 -0.153 0.000 1.049 364 K CA 0.395 56.535 56.287 -0.244 0.000 0.979 364 K CB 0.177 32.442 32.500 -0.393 0.000 0.773 364 K HN 0.187 nan 8.250 nan 0.000 0.474 365 L N 0.699 121.840 121.223 -0.136 0.000 2.179 365 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 365 L C 2.243 179.074 176.870 -0.066 0.000 1.096 365 L CA 0.907 55.693 54.840 -0.090 0.000 0.779 365 L CB -0.227 41.785 42.059 -0.079 0.000 0.922 365 L HN 0.131 nan 8.230 nan 0.000 0.443 366 Q N -0.191 119.569 119.800 -0.067 0.000 2.369 366 Q HA -0.163 4.177 4.340 -0.000 0.000 0.206 366 Q C 1.864 177.840 176.000 -0.039 0.000 0.963 366 Q CA 0.926 56.702 55.803 -0.046 0.000 0.894 366 Q CB 0.127 28.840 28.738 -0.042 0.000 0.965 366 Q HN 0.542 nan 8.270 nan 0.000 0.475 367 E N 0.319 120.489 120.200 -0.049 0.000 2.051 367 E HA -0.096 4.254 4.350 -0.000 0.000 0.189 367 E C 1.996 178.583 176.600 -0.022 0.000 0.979 367 E CA 0.420 56.800 56.400 -0.032 0.000 0.803 367 E CB 0.104 29.781 29.700 -0.038 0.000 0.761 367 E HN 0.248 nan 8.360 nan 0.000 0.451 368 R N 0.729 121.209 120.500 -0.034 0.000 2.080 368 R HA -0.138 4.202 4.340 -0.000 0.000 0.236 368 R C 2.716 179.005 176.300 -0.018 0.000 1.137 368 R CA 1.812 57.896 56.100 -0.027 0.000 0.943 368 R CB -0.904 29.371 30.300 -0.041 0.000 0.846 368 R HN 0.199 nan 8.270 nan 0.000 0.431 369 V N -1.160 118.741 119.914 -0.022 0.000 2.469 369 V HA -0.126 3.994 4.120 -0.000 0.000 0.251 369 V C 2.307 178.395 176.094 -0.010 0.000 1.064 369 V CA 1.821 64.111 62.300 -0.017 0.000 1.066 369 V CB -1.039 30.772 31.823 -0.020 0.000 0.667 369 V HN 0.281 nan 8.190 nan 0.000 0.461 370 A N 0.157 122.971 122.820 -0.010 0.000 2.015 370 A HA -0.071 4.249 4.320 -0.000 0.000 0.219 370 A C 2.330 179.915 177.584 0.002 0.000 1.163 370 A CA 1.712 53.746 52.037 -0.005 0.000 0.646 370 A CB -0.422 18.575 19.000 -0.006 0.000 0.806 370 A HN 0.619 nan 8.150 nan 0.000 0.448 371 K N -1.067 119.338 120.400 0.008 0.000 2.137 371 K HA 0.088 4.408 4.320 -0.000 0.000 0.202 371 K C 1.558 178.169 176.600 0.018 0.000 1.052 371 K CA 0.747 57.047 56.287 0.020 0.000 0.961 371 K CB -0.167 32.355 32.500 0.036 0.000 0.741 371 K HN 0.314 nan 8.250 nan 0.000 0.452 372 L N 0.522 121.751 121.223 0.010 0.000 2.062 372 L HA -0.009 4.331 4.340 -0.000 0.000 0.202 372 L C 2.353 179.225 176.870 0.003 0.000 1.079 372 L CA 1.647 56.491 54.840 0.007 0.000 0.755 372 L CB -0.731 41.328 42.059 -0.000 0.000 0.913 372 L HN 0.064 nan 8.230 nan 0.000 0.445 373 A N -0.479 122.340 122.820 -0.001 0.000 1.969 373 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 373 A C 2.348 179.931 177.584 -0.002 0.000 1.169 373 A CA 1.455 53.491 52.037 -0.002 0.000 0.635 373 A CB -1.393 17.604 19.000 -0.005 0.000 0.810 373 A HN 0.441 nan 8.150 nan 0.000 0.445 374 G N -0.664 108.136 108.800 -0.001 0.000 2.459 374 G HA2 0.249 4.209 3.960 -0.000 0.000 0.217 374 G HA3 0.249 4.209 3.960 -0.000 0.000 0.217 374 G C 1.373 176.273 174.900 -0.000 0.000 1.183 374 G CA 1.186 46.285 45.100 -0.001 0.000 0.776 374 G HN 1.723 nan 8.290 nan 0.000 0.552 375 G N -1.739 107.063 108.800 0.003 0.000 2.569 375 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.259 375 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.259 375 G C -0.503 174.398 174.900 0.001 0.000 1.263 375 G CA -0.008 45.094 45.100 0.004 0.000 0.928 375 G HN 1.219 nan 8.290 nan 0.000 0.572 376 V N 0.636 120.549 119.914 -0.002 0.000 2.567 376 V HA 0.674 4.794 4.120 -0.000 0.000 0.298 376 V C 0.686 176.776 176.094 -0.008 0.000 1.047 376 V CA -0.009 62.288 62.300 -0.006 0.000 0.880 376 V CB 1.189 33.009 31.823 -0.005 0.000 1.009 376 V HN 2.070 nan 8.190 nan 0.000 0.429 377 A N 5.077 127.891 122.820 -0.011 0.000 2.454 377 A HA 0.639 4.959 4.320 -0.000 0.000 0.260 377 A C -0.309 177.268 177.584 -0.012 0.000 1.106 377 A CA -0.060 51.970 52.037 -0.011 0.000 0.780 377 A CB 0.444 19.436 19.000 -0.013 0.000 1.044 377 A HN 0.745 nan 8.150 nan 0.000 0.498 378 V N 4.895 124.804 119.914 -0.010 0.000 2.384 378 V HA 0.328 4.448 4.120 -0.000 0.000 0.287 378 V C -0.095 175.994 176.094 -0.008 0.000 1.020 378 V CA -0.198 62.096 62.300 -0.009 0.000 0.850 378 V CB 1.275 33.093 31.823 -0.008 0.000 0.987 378 V HN 0.723 nan 8.190 nan 0.000 0.436 379 I N 4.988 125.554 120.570 -0.007 0.000 2.336 379 I HA 0.461 4.631 4.170 -0.000 0.000 0.292 379 I C 0.010 176.125 176.117 -0.004 0.000 0.991 379 I CA -0.546 60.751 61.300 -0.005 0.000 1.227 379 I CB 1.246 39.243 38.000 -0.005 0.000 1.366 379 I HN 0.468 nan 8.210 nan 0.000 0.466 380 K N 5.634 126.032 120.400 -0.004 0.000 2.307 380 K HA 0.536 4.856 4.320 -0.000 0.000 0.263 380 K C -1.058 175.540 176.600 -0.002 0.000 0.973 380 K CA -0.685 55.600 56.287 -0.003 0.000 0.846 380 K CB 2.487 34.984 32.500 -0.004 0.000 1.100 380 K HN 0.309 nan 8.250 nan 0.000 0.438 381 V N 2.589 122.502 119.914 -0.001 0.000 2.364 381 V HA 0.321 4.441 4.120 -0.000 0.000 0.272 381 V C 0.533 176.626 176.094 -0.001 0.000 1.036 381 V CA -0.689 61.611 62.300 -0.001 0.000 0.880 381 V CB 1.224 33.047 31.823 0.000 0.000 0.991 381 V HN 0.906 nan 8.190 nan 0.000 0.460 382 G N 2.965 111.764 108.800 -0.002 0.000 2.348 382 G HA2 0.597 4.557 3.960 -0.000 0.000 0.312 382 G HA3 0.597 4.557 3.960 -0.000 0.000 0.312 382 G C 0.290 175.189 174.900 -0.002 0.000 1.126 382 G CA 0.263 45.362 45.100 -0.002 0.000 0.865 382 G HN 1.008 nan 8.290 nan 0.000 0.474 383 A N 1.089 123.908 122.820 -0.002 0.000 2.664 383 A HA 0.798 5.118 4.320 -0.000 0.000 0.222 383 A C 0.893 178.476 177.584 -0.002 0.000 1.320 383 A CA 1.132 53.168 52.037 -0.002 0.000 1.029 383 A CB -0.348 18.651 19.000 -0.001 0.000 1.318 383 A HN 2.734 nan 8.150 nan 0.000 0.589 384 A N -0.302 122.517 122.820 -0.002 0.000 2.435 384 A HA 0.468 4.788 4.320 -0.000 0.000 0.686 384 A C 0.918 178.501 177.584 -0.002 0.000 0.138 384 A CA 0.637 52.672 52.037 -0.002 0.000 0.024 384 A CB -2.530 16.469 19.000 -0.002 0.000 3.974 384 A HN 3.053 nan 8.150 nan 0.000 0.548 385 T N -0.419 114.134 114.554 -0.002 0.000 0.542 385 T HA -0.168 4.182 4.350 -0.000 0.000 0.774 385 T C 0.565 175.264 174.700 -0.002 0.000 0.992 385 T CA 1.987 64.086 62.100 -0.002 0.000 4.076 385 T CB -0.699 68.168 68.868 -0.002 0.000 2.303 385 T HN 2.059 nan 8.240 nan 0.000 0.398 386 E N 1.473 121.672 120.200 -0.002 0.000 2.085 386 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 386 E C 2.288 178.887 176.600 -0.002 0.000 0.994 386 E CA 2.045 58.444 56.400 -0.002 0.000 0.801 386 E CB -0.200 29.499 29.700 -0.002 0.000 0.743 386 E HN 0.673 nan 8.360 nan 0.000 0.453 387 V N 1.448 121.360 119.914 -0.002 0.000 2.220 387 V HA -0.339 3.781 4.120 -0.000 0.000 0.250 387 V C 2.080 178.173 176.094 -0.001 0.000 1.056 387 V CA 2.505 64.804 62.300 -0.002 0.000 1.016 387 V CB -0.761 31.061 31.823 -0.002 0.000 0.639 387 V HN 0.335 nan 8.190 nan 0.000 0.446 388 E N -0.733 119.466 120.200 -0.002 0.000 2.268 388 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 388 E C 2.096 178.696 176.600 -0.001 0.000 0.995 388 E CA 0.907 57.306 56.400 -0.001 0.000 0.836 388 E CB -0.178 29.521 29.700 -0.002 0.000 0.763 388 E HN 0.494 nan 8.360 nan 0.000 0.491 389 M N 0.939 120.538 119.600 -0.001 0.000 2.064 389 M HA -0.137 4.343 4.480 -0.000 0.000 0.260 389 M C 1.870 178.169 176.300 -0.000 0.000 1.073 389 M CA 1.470 56.770 55.300 -0.001 0.000 1.124 389 M CB -0.066 32.533 32.600 -0.001 0.000 1.326 389 M HN -0.108 nan 8.290 nan 0.000 0.410 390 K N 0.091 120.491 120.400 -0.000 0.000 2.148 390 K HA -0.153 4.167 4.320 -0.000 0.000 0.204 390 K C 1.866 178.466 176.600 0.001 0.000 1.050 390 K CA 0.882 57.169 56.287 0.000 0.000 0.942 390 K CB -0.470 32.030 32.500 -0.000 0.000 0.724 390 K HN 0.452 nan 8.250 nan 0.000 0.446 391 E N 1.687 121.887 120.200 -0.000 0.000 2.007 391 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 391 E C 1.983 178.583 176.600 0.001 0.000 0.999 391 E CA 1.379 57.778 56.400 -0.000 0.000 0.811 391 E CB 0.025 29.725 29.700 -0.001 0.000 0.762 391 E HN 0.139 nan 8.360 nan 0.000 0.450 392 K N 0.814 121.215 120.400 0.001 0.000 2.113 392 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 392 K C 2.360 178.962 176.600 0.003 0.000 1.047 392 K CA 1.870 58.158 56.287 0.001 0.000 0.928 392 K CB -0.144 32.356 32.500 0.000 0.000 0.716 392 K HN -0.019 nan 8.250 nan 0.000 0.446 393 K N 0.140 120.542 120.400 0.003 0.000 2.020 393 K HA -0.206 4.114 4.320 -0.000 0.000 0.212 393 K C 1.973 178.578 176.600 0.008 0.000 1.050 393 K CA 1.563 57.854 56.287 0.005 0.000 0.929 393 K CB -0.260 32.243 32.500 0.004 0.000 0.714 393 K HN 0.199 nan 8.250 nan 0.000 0.443 394 A N 1.645 124.469 122.820 0.006 0.000 1.883 394 A HA -0.203 4.117 4.320 -0.000 0.000 0.217 394 A C 2.143 179.733 177.584 0.010 0.000 1.186 394 A CA 1.751 53.792 52.037 0.007 0.000 0.624 394 A CB -0.633 18.369 19.000 0.003 0.000 0.822 394 A HN 0.381 nan 8.150 nan 0.000 0.444 395 R N -0.738 119.767 120.500 0.007 0.000 2.103 395 R HA -0.134 4.206 4.340 -0.000 0.000 0.242 395 R C 2.073 178.382 176.300 0.014 0.000 1.142 395 R CA 1.683 57.788 56.100 0.008 0.000 0.960 395 R CB -0.713 29.589 30.300 0.005 0.000 0.858 395 R HN 0.449 nan 8.270 nan 0.000 0.439 396 V N 1.134 121.056 119.914 0.014 0.000 2.307 396 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 396 V C 2.063 178.174 176.094 0.029 0.000 1.045 396 V CA 1.702 64.012 62.300 0.016 0.000 1.024 396 V CB -0.487 31.343 31.823 0.011 0.000 0.651 396 V HN 0.343 nan 8.190 nan 0.000 0.449 397 E N 0.182 120.402 120.200 0.034 0.000 2.097 397 E HA -0.265 4.085 4.350 -0.000 0.000 0.196 397 E C 1.945 178.598 176.600 0.089 0.000 1.000 397 E CA 1.724 58.159 56.400 0.058 0.000 0.804 397 E CB -0.199 29.529 29.700 0.047 0.000 0.740 397 E HN 0.646 nan 8.360 nan 0.000 0.454 398 D N 0.342 120.776 120.400 0.057 0.000 2.075 398 D HA -0.123 4.517 4.640 -0.000 0.000 0.196 398 D C 2.004 178.347 176.300 0.072 0.000 0.985 398 D CA 1.315 55.349 54.000 0.058 0.000 0.834 398 D CB -0.555 40.258 40.800 0.023 0.000 0.987 398 D HN 0.146 nan 8.370 nan 0.000 0.452 399 A N 1.259 124.106 122.820 0.043 0.000 1.884 399 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 399 A C 2.255 179.861 177.584 0.038 0.000 1.197 399 A CA 1.793 53.850 52.037 0.033 0.000 0.637 399 A CB -1.065 17.946 19.000 0.019 0.000 0.827 399 A HN 0.254 nan 8.150 nan 0.000 0.450 400 L N -1.105 120.139 121.223 0.035 0.000 1.989 400 L HA -0.232 4.108 4.340 -0.000 0.000 0.211 400 L C 2.456 179.330 176.870 0.006 0.000 1.071 400 L CA 2.690 57.536 54.840 0.011 0.000 0.749 400 L CB -0.795 41.264 42.059 -0.001 0.000 0.890 400 L HN 0.578 nan 8.230 nan 0.000 0.431 401 H N -0.529 118.540 119.070 -0.002 0.000 2.352 401 H HA -0.141 4.415 4.556 -0.000 0.000 0.299 401 H C 2.056 177.384 175.328 0.001 0.000 1.097 401 H CA 1.645 57.692 56.048 -0.002 0.000 1.311 401 H CB -0.093 29.668 29.762 -0.002 0.000 1.377 401 H HN 0.533 nan 8.280 nan 0.000 0.504 402 A N 0.014 122.915 122.820 0.136 0.000 1.851 402 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 402 A C 2.599 180.211 177.584 0.046 0.000 1.195 402 A CA 2.578 54.663 52.037 0.079 0.000 0.622 402 A CB -1.097 17.933 19.000 0.051 0.000 0.831 402 A HN 0.481 nan 8.150 nan 0.000 0.444 403 T N -0.599 113.971 114.554 0.027 0.000 3.007 403 T HA -0.059 4.291 4.350 -0.000 0.000 0.270 403 T C 1.986 176.685 174.700 -0.002 0.000 1.107 403 T CA 0.853 62.959 62.100 0.010 0.000 1.118 403 T CB -0.199 68.672 68.868 0.004 0.000 0.889 403 T HN 0.274 nan 8.240 nan 0.000 0.506 404 R N 1.849 122.340 120.500 -0.014 0.000 2.080 404 R HA 0.056 4.396 4.340 -0.000 0.000 0.236 404 R C 2.513 178.806 176.300 -0.011 0.000 1.137 404 R CA 1.872 57.948 56.100 -0.041 0.000 0.943 404 R CB -0.999 29.233 30.300 -0.113 0.000 0.846 404 R HN 0.442 nan 8.270 nan 0.000 0.431 405 A N -0.074 122.755 122.820 0.016 0.000 2.067 405 A HA 0.121 4.441 4.320 -0.000 0.000 0.217 405 A C 2.217 179.814 177.584 0.021 0.000 1.156 405 A CA 1.220 53.274 52.037 0.028 0.000 0.683 405 A CB -0.334 18.698 19.000 0.052 0.000 0.808 405 A HN 0.389 nan 8.150 nan 0.000 0.455 406 A N -0.376 122.454 122.820 0.018 0.000 1.933 406 A HA 0.008 4.328 4.320 -0.000 0.000 0.218 406 A C 2.085 179.674 177.584 0.008 0.000 1.175 406 A CA 1.753 53.798 52.037 0.013 0.000 0.628 406 A CB -0.672 18.335 19.000 0.012 0.000 0.814 406 A HN 0.362 nan 8.150 nan 0.000 0.444 407 V N -0.097 119.819 119.914 0.004 0.000 2.719 407 V HA -0.177 3.943 4.120 -0.000 0.000 0.252 407 V C 2.245 178.340 176.094 0.002 0.000 1.065 407 V CA 1.991 64.292 62.300 0.001 0.000 1.086 407 V CB -0.637 31.183 31.823 -0.005 0.000 0.700 407 V HN 0.630 nan 8.190 nan 0.000 0.467 408 E N -0.158 120.045 120.200 0.004 0.000 2.086 408 E HA -0.086 4.264 4.350 -0.000 0.000 0.190 408 E C 1.867 178.472 176.600 0.009 0.000 0.975 408 E CA 0.999 57.403 56.400 0.006 0.000 0.813 408 E CB 0.096 29.801 29.700 0.008 0.000 0.768 408 E HN 0.627 nan 8.360 nan 0.000 0.457 409 E N -0.489 119.718 120.200 0.011 0.000 2.485 409 E HA 0.192 4.542 4.350 -0.000 0.000 0.213 409 E C 0.544 177.150 176.600 0.011 0.000 0.923 409 E CA 0.209 56.615 56.400 0.012 0.000 1.054 409 E CB 1.482 31.191 29.700 0.014 0.000 1.077 409 E HN 0.211 nan 8.360 nan 0.000 0.509 410 G N 1.085 109.891 108.800 0.011 0.000 2.512 410 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.210 410 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.210 410 G C -0.498 174.409 174.900 0.012 0.000 1.295 410 G CA -0.489 44.617 45.100 0.011 0.000 0.934 410 G HN 0.410 nan 8.290 nan 0.000 0.554 411 V N -2.410 117.511 119.914 0.012 0.000 3.007 411 V HA 0.962 5.082 4.120 -0.000 0.000 0.311 411 V C 0.656 176.758 176.094 0.013 0.000 1.120 411 V CA -0.018 62.289 62.300 0.012 0.000 0.980 411 V CB 1.029 32.858 31.823 0.010 0.000 1.033 411 V HN 2.348 nan 8.190 nan 0.000 0.429 412 V N -0.838 119.083 119.914 0.013 0.000 3.145 412 V HA 1.038 5.158 4.120 -0.000 0.000 0.311 412 V C 0.468 176.569 176.094 0.011 0.000 1.238 412 V CA -0.696 61.612 62.300 0.014 0.000 1.066 412 V CB 1.417 33.249 31.823 0.016 0.000 1.144 412 V HN 1.820 nan 8.190 nan 0.000 0.465 413 A N 0.356 123.183 122.820 0.012 0.000 2.409 413 A HA 0.730 5.050 4.320 -0.000 0.000 0.262 413 A C 0.708 178.292 177.584 -0.000 0.000 1.113 413 A CA 0.426 52.465 52.037 0.004 0.000 0.790 413 A CB -0.255 18.748 19.000 0.005 0.000 1.046 413 A HN 1.797 nan 8.150 nan 0.000 0.496 414 G N 0.546 109.341 108.800 -0.008 0.000 2.508 414 G HA2 0.501 4.461 3.960 -0.000 0.000 0.278 414 G HA3 0.501 4.461 3.960 -0.000 0.000 0.278 414 G C 1.124 176.016 174.900 -0.012 0.000 1.389 414 G CA -0.018 45.078 45.100 -0.008 0.000 1.050 414 G HN 2.209 nan 8.290 nan 0.000 0.522 415 G N -2.086 106.708 108.800 -0.010 0.000 2.187 415 G HA2 0.190 4.150 3.960 -0.000 0.000 0.261 415 G HA3 0.190 4.150 3.960 -0.000 0.000 0.261 415 G C 1.507 176.410 174.900 0.005 0.000 1.000 415 G CA 1.196 46.294 45.100 -0.004 0.000 0.718 415 G HN 2.485 nan 8.290 nan 0.000 0.519 416 G N -2.185 106.618 108.800 0.005 0.000 2.187 416 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.261 416 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.261 416 G C 1.721 176.629 174.900 0.013 0.000 1.000 416 G CA 1.937 47.043 45.100 0.010 0.000 0.718 416 G HN 2.217 nan 8.290 nan 0.000 0.519 417 V N -2.892 117.028 119.914 0.011 0.000 2.719 417 V HA 0.392 4.512 4.120 -0.000 0.000 0.252 417 V C 2.824 178.931 176.094 0.022 0.000 1.065 417 V CA 1.647 63.956 62.300 0.015 0.000 1.086 417 V CB -0.802 31.022 31.823 0.003 0.000 0.700 417 V HN 1.293 nan 8.190 nan 0.000 0.467 418 A N 1.307 124.138 122.820 0.018 0.000 1.892 418 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 418 A C 2.252 179.850 177.584 0.023 0.000 1.188 418 A CA 2.526 54.576 52.037 0.022 0.000 0.631 418 A CB -0.791 18.220 19.000 0.018 0.000 0.822 418 A HN 0.587 nan 8.150 nan 0.000 0.447 419 L N -1.121 120.114 121.223 0.020 0.000 2.046 419 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 419 L C 2.522 179.405 176.870 0.022 0.000 1.077 419 L CA 1.415 56.266 54.840 0.019 0.000 0.747 419 L CB -0.362 41.708 42.059 0.017 0.000 0.896 419 L HN 0.465 nan 8.230 nan 0.000 0.432 420 I N -0.492 120.093 120.570 0.025 0.000 2.614 420 I HA -0.259 3.911 4.170 -0.000 0.000 0.258 420 I C 2.686 178.825 176.117 0.037 0.000 1.189 420 I CA 0.727 62.044 61.300 0.029 0.000 1.462 420 I CB 0.045 38.063 38.000 0.031 0.000 1.092 420 I HN 0.186 nan 8.210 nan 0.000 0.442 421 R N 0.163 120.687 120.500 0.040 0.000 2.075 421 R HA -0.040 4.300 4.340 -0.000 0.000 0.226 421 R C 1.960 178.282 176.300 0.036 0.000 1.114 421 R CA 1.570 57.698 56.100 0.047 0.000 0.972 421 R CB -0.782 29.550 30.300 0.053 0.000 0.869 421 R HN 0.191 nan 8.270 nan 0.000 0.437 422 V N 0.957 120.888 119.914 0.029 0.000 2.407 422 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 422 V C 2.280 178.386 176.094 0.020 0.000 1.055 422 V CA 1.920 64.233 62.300 0.022 0.000 1.049 422 V CB -0.840 30.994 31.823 0.018 0.000 0.662 422 V HN 0.500 nan 8.190 nan 0.000 0.455 423 A N 0.509 123.341 122.820 0.021 0.000 1.969 423 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 423 A C 2.441 180.037 177.584 0.020 0.000 1.169 423 A CA 1.870 53.918 52.037 0.018 0.000 0.635 423 A CB -0.539 18.472 19.000 0.018 0.000 0.810 423 A HN 0.680 nan 8.150 nan 0.000 0.445 424 S N -0.971 114.744 115.700 0.025 0.000 2.527 424 S HA 0.067 4.537 4.470 -0.000 0.000 0.222 424 S C 1.472 176.085 174.600 0.023 0.000 0.985 424 S CA 0.834 59.049 58.200 0.026 0.000 0.921 424 S CB -0.105 63.116 63.200 0.036 0.000 0.772 424 S HN 0.551 nan 8.310 nan 0.000 0.529 425 K N 0.423 120.836 120.400 0.022 0.000 2.393 425 K HA 0.336 4.656 4.320 -0.000 0.000 0.193 425 K C 0.348 176.956 176.600 0.014 0.000 1.026 425 K CA 0.175 56.473 56.287 0.018 0.000 1.064 425 K CB 0.070 32.582 32.500 0.020 0.000 0.833 425 K HN 0.396 nan 8.250 nan 0.000 0.521 426 L N 0.439 121.670 121.223 0.013 0.000 2.984 426 L HA 0.240 4.580 4.340 -0.000 0.000 0.246 426 L C 1.350 178.226 176.870 0.009 0.000 1.268 426 L CA -0.263 54.583 54.840 0.010 0.000 1.054 426 L CB 0.528 42.592 42.059 0.009 0.000 1.393 426 L HN 0.024 nan 8.230 nan 0.000 0.532 427 A N -0.676 122.150 122.820 0.009 0.000 2.014 427 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 427 A C 1.564 179.152 177.584 0.006 0.000 1.163 427 A CA 1.139 53.181 52.037 0.008 0.000 0.652 427 A CB -0.050 18.956 19.000 0.009 0.000 0.808 427 A HN 0.333 nan 8.150 nan 0.000 0.449 428 D N -0.755 119.649 120.400 0.006 0.000 2.328 428 D HA 0.124 4.764 4.640 -0.000 0.000 0.221 428 D C -0.049 176.253 176.300 0.004 0.000 1.072 428 D CA -0.100 53.903 54.000 0.005 0.000 0.850 428 D CB 0.093 40.896 40.800 0.004 0.000 0.922 428 D HN 0.302 nan 8.370 nan 0.000 0.516 429 L N 2.183 123.409 121.223 0.005 0.000 2.433 429 L HA 0.110 4.450 4.340 -0.000 0.000 0.275 429 L C 0.066 176.938 176.870 0.004 0.000 1.128 429 L CA 0.424 55.266 54.840 0.004 0.000 0.875 429 L CB 0.017 42.079 42.059 0.004 0.000 1.171 429 L HN -0.257 nan 8.230 nan 0.000 0.463 430 R N 3.171 123.673 120.500 0.003 0.000 2.892 430 R HA 0.684 5.024 4.340 -0.000 0.000 0.265 430 R C 0.046 176.348 176.300 0.003 0.000 1.025 430 R CA -0.279 55.822 56.100 0.003 0.000 0.982 430 R CB 1.542 31.844 30.300 0.003 0.000 1.185 430 R HN 0.769 nan 8.270 nan 0.000 0.484 431 G N -0.142 108.660 108.800 0.003 0.000 2.945 431 G HA2 0.157 4.117 3.960 -0.000 0.000 0.156 431 G HA3 0.157 4.117 3.960 -0.000 0.000 0.156 431 G C 0.224 175.125 174.900 0.002 0.000 1.375 431 G CA -0.009 45.093 45.100 0.002 0.000 1.039 431 G HN 0.436 nan 8.290 nan 0.000 0.586 432 Q N -0.590 119.211 119.800 0.002 0.000 2.287 432 Q HA 0.129 4.469 4.340 -0.000 0.000 0.201 432 Q C 0.589 176.591 176.000 0.002 0.000 0.946 432 Q CA 0.735 56.539 55.803 0.002 0.000 0.868 432 Q CB 0.163 28.902 28.738 0.002 0.000 0.967 432 Q HN 0.655 nan 8.270 nan 0.000 0.516 433 N N -0.879 117.822 118.700 0.003 0.000 2.741 433 N HA 0.146 4.886 4.740 -0.000 0.000 0.310 433 N C 0.221 175.733 175.510 0.003 0.000 1.295 433 N CA -0.542 52.509 53.050 0.003 0.000 0.893 433 N CB 0.557 39.046 38.487 0.003 0.000 1.247 433 N HN -0.289 nan 8.380 nan 0.000 0.596 434 K N -0.451 119.950 120.400 0.003 0.000 2.044 434 K HA 0.023 4.343 4.320 -0.000 0.000 0.204 434 K C 0.636 177.238 176.600 0.004 0.000 1.049 434 K CA 1.410 57.698 56.287 0.003 0.000 0.945 434 K CB -0.748 31.754 32.500 0.003 0.000 0.724 434 K HN 0.584 nan 8.250 nan 0.000 0.440 435 D N 0.805 121.207 120.400 0.004 0.000 2.191 435 D HA -0.217 4.423 4.640 -0.000 0.000 0.195 435 D C 1.837 178.140 176.300 0.005 0.000 1.003 435 D CA 1.375 55.377 54.000 0.004 0.000 0.867 435 D CB -0.052 40.751 40.800 0.005 0.000 0.926 435 D HN 0.444 nan 8.370 nan 0.000 0.450 436 Q N -0.441 119.362 119.800 0.004 0.000 2.123 436 Q HA -0.054 4.286 4.340 -0.000 0.000 0.199 436 Q C 1.615 177.617 176.000 0.004 0.000 0.966 436 Q CA 0.747 56.553 55.803 0.004 0.000 0.845 436 Q CB -0.013 28.727 28.738 0.004 0.000 0.907 436 Q HN 0.292 nan 8.270 nan 0.000 0.439 437 N N 0.055 118.757 118.700 0.004 0.000 2.270 437 N HA -0.091 4.649 4.740 -0.000 0.000 0.181 437 N C 1.787 177.300 175.510 0.004 0.000 1.016 437 N CA 0.791 53.844 53.050 0.004 0.000 0.870 437 N CB -0.191 38.298 38.487 0.003 0.000 0.979 437 N HN 0.021 nan 8.380 nan 0.000 0.431 438 V N 0.251 120.168 119.914 0.004 0.000 2.407 438 V HA -0.100 4.020 4.120 -0.000 0.000 0.248 438 V C 2.298 178.396 176.094 0.005 0.000 1.055 438 V CA 1.966 64.269 62.300 0.005 0.000 1.049 438 V CB -1.186 30.640 31.823 0.005 0.000 0.662 438 V HN 0.356 nan 8.190 nan 0.000 0.455 439 G N -0.293 108.510 108.800 0.005 0.000 2.430 439 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.216 439 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.216 439 G C 1.550 176.453 174.900 0.006 0.000 1.146 439 G CA 0.514 45.617 45.100 0.006 0.000 0.793 439 G HN 0.480 nan 8.290 nan 0.000 0.537 440 I N 0.419 120.992 120.570 0.005 0.000 2.163 440 I HA -0.129 4.041 4.170 -0.000 0.000 0.240 440 I C 2.731 178.852 176.117 0.006 0.000 1.081 440 I CA 0.935 62.238 61.300 0.005 0.000 1.353 440 I CB -0.099 37.904 38.000 0.004 0.000 1.054 440 I HN -0.047 nan 8.210 nan 0.000 0.407 441 K N 0.648 121.052 120.400 0.006 0.000 2.063 441 K HA -0.134 4.186 4.320 -0.000 0.000 0.208 441 K C 2.118 178.722 176.600 0.007 0.000 1.048 441 K CA 1.197 57.488 56.287 0.006 0.000 0.928 441 K CB -0.721 31.782 32.500 0.006 0.000 0.713 441 K HN 0.209 nan 8.250 nan 0.000 0.442 442 V N 1.339 121.257 119.914 0.007 0.000 2.720 442 V HA -0.219 3.901 4.120 -0.000 0.000 0.256 442 V C 2.323 178.422 176.094 0.008 0.000 1.082 442 V CA 1.770 64.074 62.300 0.007 0.000 1.101 442 V CB -0.600 31.228 31.823 0.008 0.000 0.693 442 V HN 0.303 nan 8.190 nan 0.000 0.479 443 A N -0.335 122.490 122.820 0.008 0.000 1.878 443 A HA 0.016 4.336 4.320 -0.000 0.000 0.213 443 A C 2.129 179.719 177.584 0.009 0.000 1.192 443 A CA 0.991 53.033 52.037 0.009 0.000 0.619 443 A CB -0.324 18.680 19.000 0.007 0.000 0.837 443 A HN 0.453 nan 8.150 nan 0.000 0.446 444 L N -0.653 120.575 121.223 0.009 0.000 1.989 444 L HA -0.240 4.100 4.340 -0.000 0.000 0.211 444 L C 2.838 179.714 176.870 0.011 0.000 1.071 444 L CA 1.755 56.601 54.840 0.010 0.000 0.749 444 L CB -0.667 41.398 42.059 0.010 0.000 0.890 444 L HN 0.339 nan 8.230 nan 0.000 0.431 445 R N 0.093 120.598 120.500 0.010 0.000 2.113 445 R HA -0.222 4.118 4.340 -0.000 0.000 0.244 445 R C 2.405 178.710 176.300 0.009 0.000 1.142 445 R CA 1.644 57.749 56.100 0.009 0.000 0.953 445 R CB -0.692 29.612 30.300 0.008 0.000 0.860 445 R HN 0.421 nan 8.270 nan 0.000 0.438 446 A N 0.871 123.696 122.820 0.010 0.000 1.978 446 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 446 A C 2.072 179.662 177.584 0.011 0.000 1.170 446 A CA 1.490 53.533 52.037 0.010 0.000 0.636 446 A CB -0.446 18.561 19.000 0.012 0.000 0.810 446 A HN 0.254 nan 8.150 nan 0.000 0.448 447 M N -0.568 119.039 119.600 0.012 0.000 2.557 447 M HA -0.093 4.386 4.480 -0.000 0.000 0.259 447 M C 1.554 177.863 176.300 0.014 0.000 1.086 447 M CA 1.075 56.383 55.300 0.014 0.000 1.096 447 M CB -0.222 32.386 32.600 0.014 0.000 1.424 447 M HN 0.497 nan 8.290 nan 0.000 0.488 448 E N 0.634 120.841 120.200 0.012 0.000 2.122 448 E HA 0.005 4.355 4.350 -0.000 0.000 0.190 448 E C 2.249 178.854 176.600 0.007 0.000 0.977 448 E CA 0.764 57.171 56.400 0.011 0.000 0.820 448 E CB -0.147 29.558 29.700 0.010 0.000 0.770 448 E HN 0.485 nan 8.360 nan 0.000 0.462 449 A N 2.611 125.435 122.820 0.007 0.000 1.896 449 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 449 A C -0.262 177.325 177.584 0.005 0.000 1.206 449 A CA 1.937 53.977 52.037 0.005 0.000 0.647 449 A CB -1.737 17.267 19.000 0.007 0.000 0.828 449 A HN 0.155 nan 8.150 nan 0.000 0.455 450 P HA -0.194 nan 4.420 nan 0.000 0.213 450 P C 1.847 179.151 177.300 0.007 0.000 1.170 450 P CA 1.281 64.386 63.100 0.008 0.000 0.902 450 P CB -0.196 31.510 31.700 0.011 0.000 0.789 451 L N -0.832 120.395 121.223 0.007 0.000 1.990 451 L HA -0.239 4.101 4.340 -0.000 0.000 0.213 451 L C 2.552 179.419 176.870 -0.005 0.000 1.072 451 L CA 1.895 56.738 54.840 0.005 0.000 0.755 451 L CB -0.341 41.722 42.059 0.006 0.000 0.889 451 L HN -0.169 nan 8.230 nan 0.000 0.432 452 R N -1.048 119.448 120.500 -0.007 0.000 2.096 452 R HA -0.211 4.129 4.340 -0.000 0.000 0.235 452 R C 2.305 178.598 176.300 -0.012 0.000 1.127 452 R CA 1.542 57.633 56.100 -0.015 0.000 0.968 452 R CB -0.259 30.035 30.300 -0.009 0.000 0.861 452 R HN 0.410 nan 8.270 nan 0.000 0.440 453 Q N 1.121 120.918 119.800 -0.004 0.000 2.046 453 Q HA -0.084 4.256 4.340 -0.000 0.000 0.200 453 Q C 1.857 177.857 176.000 0.000 0.000 0.975 453 Q CA 1.587 57.389 55.803 -0.002 0.000 0.836 453 Q CB -0.154 28.584 28.738 0.001 0.000 0.896 453 Q HN 0.318 nan 8.270 nan 0.000 0.428 454 I N -0.373 120.200 120.570 0.004 0.000 2.163 454 I HA -0.284 3.886 4.170 -0.000 0.000 0.243 454 I C 2.080 178.207 176.117 0.016 0.000 1.085 454 I CA 1.162 62.469 61.300 0.012 0.000 1.347 454 I CB -0.565 37.447 38.000 0.019 0.000 1.044 454 I HN 0.048 nan 8.210 nan 0.000 0.408 455 V N 0.760 120.674 119.914 0.001 0.000 2.392 455 V HA -0.272 3.848 4.120 -0.000 0.000 0.249 455 V C 2.451 178.536 176.094 -0.015 0.000 1.059 455 V CA 1.616 63.902 62.300 -0.023 0.000 1.051 455 V CB -0.726 31.044 31.823 -0.089 0.000 0.658 455 V HN 0.351 nan 8.190 nan 0.000 0.455 456 L N 1.024 122.239 121.223 -0.013 0.000 2.042 456 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 456 L C 2.193 179.063 176.870 -0.000 0.000 1.076 456 L CA 1.924 56.759 54.840 -0.008 0.000 0.749 456 L CB -0.919 41.136 42.059 -0.007 0.000 0.893 456 L HN 0.314 nan 8.230 nan 0.000 0.432 457 N N -1.419 117.284 118.700 0.004 0.000 2.309 457 N HA -0.148 4.592 4.740 -0.000 0.000 0.182 457 N C 1.726 177.243 175.510 0.013 0.000 1.018 457 N CA 1.504 54.558 53.050 0.007 0.000 0.876 457 N CB -0.600 37.892 38.487 0.008 0.000 0.972 457 N HN 0.414 nan 8.380 nan 0.000 0.434 458 C N -1.043 118.270 119.300 0.021 0.000 2.563 458 C HA 0.290 4.750 4.460 -0.000 0.000 0.268 458 C C 1.764 176.769 174.990 0.025 0.000 1.365 458 C CA 0.532 59.569 59.018 0.033 0.000 1.754 458 C CB -0.845 26.936 27.740 0.068 0.000 1.932 458 C HN 0.636 nan 8.230 nan 0.000 0.536 459 G N 0.612 109.420 108.800 0.013 0.000 2.175 459 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.244 459 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.244 459 G C -0.230 174.673 174.900 0.005 0.000 0.982 459 G CA 0.043 45.149 45.100 0.009 0.000 0.641 459 G HN 0.495 nan 8.290 nan 0.000 0.527 460 E N 0.804 121.002 120.200 -0.003 0.000 2.283 460 E HA 0.420 4.769 4.350 -0.000 0.000 0.267 460 E C 0.212 176.789 176.600 -0.038 0.000 1.045 460 E CA -0.629 55.758 56.400 -0.021 0.000 0.884 460 E CB 0.777 30.449 29.700 -0.047 0.000 1.106 460 E HN 0.524 nan 8.360 nan 0.000 0.408 461 E N 2.161 122.339 120.200 -0.037 0.000 2.265 461 E HA 0.033 4.383 4.350 -0.000 0.000 0.272 461 E C -1.597 174.970 176.600 -0.055 0.000 1.067 461 E CA -1.428 54.951 56.400 -0.035 0.000 0.900 461 E CB 0.629 30.315 29.700 -0.022 0.000 1.017 461 E HN 0.171 nan 8.360 nan 0.000 0.431 462 P HA -0.149 nan 4.420 nan 0.000 0.220 462 P C 1.173 178.449 177.300 -0.039 0.000 1.152 462 P CA 0.919 63.987 63.100 -0.053 0.000 0.812 462 P CB 0.300 31.980 31.700 -0.033 0.000 0.792 463 S N -1.111 114.574 115.700 -0.025 0.000 2.406 463 S HA -0.082 4.388 4.470 -0.000 0.000 0.228 463 S C 1.949 176.540 174.600 -0.014 0.000 1.020 463 S CA 1.080 59.272 58.200 -0.015 0.000 0.965 463 S CB -1.715 61.479 63.200 -0.010 0.000 0.798 463 S HN -0.058 nan 8.310 nan 0.000 0.488 464 V N 2.250 122.152 119.914 -0.020 0.000 2.229 464 V HA -0.150 3.970 4.120 -0.000 0.000 0.243 464 V C 2.649 178.737 176.094 -0.009 0.000 1.042 464 V CA 1.684 63.975 62.300 -0.015 0.000 1.000 464 V CB -1.143 30.670 31.823 -0.016 0.000 0.637 464 V HN 0.430 nan 8.190 nan 0.000 0.446 465 V N 0.783 120.678 119.914 -0.032 0.000 2.278 465 V HA -0.356 3.764 4.120 -0.000 0.000 0.251 465 V C 2.731 178.845 176.094 0.033 0.000 1.062 465 V CA 2.410 64.695 62.300 -0.025 0.000 1.038 465 V CB -1.445 30.225 31.823 -0.254 0.000 0.646 465 V HN 0.584 nan 8.190 nan 0.000 0.447 466 A N 0.124 122.945 122.820 0.001 0.000 1.969 466 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 466 A C 2.071 179.680 177.584 0.043 0.000 1.169 466 A CA 2.088 54.138 52.037 0.022 0.000 0.635 466 A CB -0.759 18.245 19.000 0.006 0.000 0.810 466 A HN 0.616 nan 8.150 nan 0.000 0.445 467 N N -0.577 118.141 118.700 0.029 0.000 2.270 467 N HA -0.087 4.653 4.740 -0.000 0.000 0.181 467 N C 1.583 177.117 175.510 0.040 0.000 1.016 467 N CA 1.978 55.045 53.050 0.028 0.000 0.870 467 N CB -0.314 38.178 38.487 0.009 0.000 0.979 467 N HN 0.360 nan 8.380 nan 0.000 0.431 468 T N -0.569 114.011 114.554 0.043 0.000 2.737 468 T HA -0.052 4.298 4.350 -0.000 0.000 0.265 468 T C 1.928 176.729 174.700 0.169 0.000 1.038 468 T CA 1.255 63.368 62.100 0.022 0.000 1.144 468 T CB -0.375 68.415 68.868 -0.130 0.000 0.866 468 T HN -0.003 nan 8.240 nan 0.000 0.434 469 V N 1.518 121.577 119.914 0.242 0.000 2.307 469 V HA -0.157 3.963 4.120 -0.000 0.000 0.245 469 V C 2.460 178.694 176.094 0.233 0.000 1.045 469 V CA 1.522 63.999 62.300 0.296 0.000 1.024 469 V CB -0.524 31.404 31.823 0.175 0.000 0.651 469 V HN 0.435 nan 8.190 nan 0.000 0.449 470 K N 0.253 120.734 120.400 0.135 0.000 2.173 470 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 470 K C 2.157 178.811 176.600 0.090 0.000 1.046 470 K CA 1.515 57.859 56.287 0.095 0.000 0.929 470 K CB -0.647 31.887 32.500 0.058 0.000 0.720 470 K HN 0.599 nan 8.250 nan 0.000 0.453 471 G N 0.876 109.731 108.800 0.092 0.000 2.422 471 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.218 471 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.218 471 G C 0.913 175.822 174.900 0.016 0.000 1.146 471 G CA 0.864 45.987 45.100 0.040 0.000 0.769 471 G HN 0.425 nan 8.290 nan 0.000 0.547 472 G N -1.000 107.844 108.800 0.074 0.000 2.485 472 G HA2 0.447 4.407 3.960 -0.000 0.000 0.260 472 G HA3 0.447 4.407 3.960 -0.000 0.000 0.260 472 G C -0.653 174.268 174.900 0.035 0.000 1.459 472 G CA -0.106 44.961 45.100 -0.056 0.000 1.060 472 G HN 0.207 nan 8.290 nan 0.000 0.546 473 D N -2.926 117.505 120.400 0.051 0.000 2.626 473 D HA 0.488 5.128 4.640 -0.000 0.000 0.278 473 D C 0.846 177.215 176.300 0.115 0.000 1.211 473 D CA 0.630 54.673 54.000 0.073 0.000 0.903 473 D CB 1.672 42.485 40.800 0.022 0.000 1.408 473 D HN 0.874 nan 8.370 nan 0.000 0.454 474 G N 1.048 109.897 108.800 0.082 0.000 2.634 474 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.309 474 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.309 474 G C 0.264 175.223 174.900 0.099 0.000 1.265 474 G CA 0.665 45.811 45.100 0.078 0.000 0.998 474 G HN 0.593 nan 8.290 nan 0.000 0.551 475 N N 0.085 118.845 118.700 0.099 0.000 2.378 475 N HA 0.357 5.097 4.740 -0.000 0.000 0.243 475 N C -0.210 175.377 175.510 0.127 0.000 1.137 475 N CA -0.132 52.972 53.050 0.089 0.000 0.862 475 N CB 0.225 38.745 38.487 0.056 0.000 1.116 475 N HN 0.501 nan 8.380 nan 0.000 0.499 476 Y N 0.864 121.194 120.300 0.051 0.000 2.402 476 Y HA 0.506 5.056 4.550 -0.000 0.000 0.333 476 Y C 0.700 176.659 175.900 0.099 0.000 1.076 476 Y CA -0.137 58.009 58.100 0.075 0.000 1.299 476 Y CB 0.225 38.731 38.460 0.077 0.000 1.197 476 Y HN 0.069 nan 8.280 nan 0.000 0.517 477 G N 4.161 112.665 108.800 -0.493 0.000 2.815 477 G HA2 0.291 4.251 3.960 -0.000 0.000 0.305 477 G HA3 0.291 4.251 3.960 -0.000 0.000 0.305 477 G C -2.416 172.269 174.900 -0.358 0.000 1.277 477 G CA -0.906 43.999 45.100 -0.325 0.000 0.795 477 G HN 0.593 nan 8.290 nan 0.000 0.528 478 Y N 1.190 121.269 120.300 -0.368 0.000 2.331 478 Y HA 0.556 5.106 4.550 -0.000 0.000 0.334 478 Y C -0.212 175.480 175.900 -0.347 0.000 0.960 478 Y CA -1.170 56.608 58.100 -0.537 0.000 1.130 478 Y CB 1.637 39.654 38.460 -0.739 0.000 1.164 478 Y HN 0.447 nan 8.280 nan 0.000 0.458 479 N N 4.477 122.688 118.700 -0.815 0.000 2.431 479 N HA 0.093 4.833 4.740 -0.000 0.000 0.265 479 N C 0.522 175.573 175.510 -0.766 0.000 1.184 479 N CA 0.828 53.512 53.050 -0.611 0.000 0.943 479 N CB 1.655 39.882 38.487 -0.432 0.000 1.080 479 N HN 0.962 nan 8.380 nan 0.000 0.477 480 A N 4.031 126.650 122.820 -0.334 0.000 1.968 480 A HA 0.029 4.349 4.320 -0.000 0.000 0.217 480 A C 2.004 179.514 177.584 -0.123 0.000 1.169 480 A CA 1.444 53.403 52.037 -0.130 0.000 0.638 480 A CB -0.393 18.604 19.000 -0.006 0.000 0.812 480 A HN 0.727 nan 8.150 nan 0.000 0.446 481 A N -0.159 122.574 122.820 -0.144 0.000 1.854 481 A HA -0.049 4.271 4.320 -0.000 0.000 0.214 481 A C 2.381 179.894 177.584 -0.117 0.000 1.192 481 A CA 2.328 54.304 52.037 -0.102 0.000 0.611 481 A CB -1.159 17.789 19.000 -0.086 0.000 0.832 481 A HN 0.702 nan 8.150 nan 0.000 0.442 482 T N -3.489 110.959 114.554 -0.176 0.000 3.081 482 T HA 0.190 4.540 4.350 -0.000 0.000 0.255 482 T C 0.349 174.931 174.700 -0.197 0.000 1.113 482 T CA 0.779 62.785 62.100 -0.156 0.000 1.082 482 T CB -0.248 68.532 68.868 -0.147 0.000 0.939 482 T HN 0.575 nan 8.240 nan 0.000 0.506 483 E N 0.931 120.910 120.200 -0.368 0.000 2.553 483 E HA -0.124 4.226 4.350 -0.000 0.000 0.264 483 E C -0.831 175.510 176.600 -0.432 0.000 1.068 483 E CA 0.365 56.517 56.400 -0.413 0.000 0.774 483 E CB -0.904 28.808 29.700 0.020 0.000 1.349 483 E HN 0.633 nan 8.360 nan 0.000 0.404 484 E N -0.376 119.450 120.200 -0.623 0.000 2.244 484 E HA 0.412 4.762 4.350 -0.000 0.000 0.266 484 E C -0.474 175.848 176.600 -0.463 0.000 0.914 484 E CA -0.632 55.578 56.400 -0.316 0.000 0.794 484 E CB 0.958 30.569 29.700 -0.149 0.000 1.210 484 E HN 0.052 nan 8.360 nan 0.000 0.414 485 Y N -0.180 120.105 120.300 -0.025 0.000 2.403 485 Y HA 0.592 5.142 4.550 -0.000 0.000 0.323 485 Y C 1.127 177.037 175.900 0.016 0.000 1.226 485 Y CA 0.612 58.709 58.100 -0.005 0.000 1.235 485 Y CB 1.879 40.453 38.460 0.189 0.000 1.248 485 Y HN 0.707 nan 8.280 nan 0.000 0.489 486 G N 1.043 109.896 108.800 0.087 0.000 2.350 486 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.282 486 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.282 486 G C -1.739 173.219 174.900 0.097 0.000 1.314 486 G CA -1.245 43.986 45.100 0.219 0.000 0.915 486 G HN 0.517 nan 8.290 nan 0.000 0.499 487 N N 0.962 119.739 118.700 0.129 0.000 2.470 487 N HA 0.197 4.937 4.740 -0.000 0.000 0.268 487 N C 1.721 177.236 175.510 0.009 0.000 1.136 487 N CA -0.366 52.734 53.050 0.083 0.000 0.961 487 N CB 0.857 39.397 38.487 0.088 0.000 1.067 487 N HN 0.409 nan 8.380 nan 0.000 0.468 488 M N 3.335 122.926 119.600 -0.015 0.000 2.200 488 M HA -0.086 4.394 4.480 -0.000 0.000 0.265 488 M C 1.625 177.912 176.300 -0.021 0.000 1.066 488 M CA 0.705 55.980 55.300 -0.041 0.000 1.127 488 M CB -0.440 32.132 32.600 -0.046 0.000 1.379 488 M HN 0.508 nan 8.290 nan 0.000 0.420 489 I N 1.103 121.672 120.570 -0.002 0.000 2.099 489 I HA -0.284 3.886 4.170 -0.000 0.000 0.239 489 I C 1.883 178.000 176.117 0.000 0.000 1.066 489 I CA 1.698 62.999 61.300 0.002 0.000 1.324 489 I CB -1.805 36.202 38.000 0.012 0.000 1.037 489 I HN 0.214 nan 8.210 nan 0.000 0.401 490 D N 0.545 120.950 120.400 0.007 0.000 2.158 490 D HA -0.190 4.450 4.640 -0.000 0.000 0.197 490 D C 2.300 178.596 176.300 -0.006 0.000 0.995 490 D CA 1.255 55.259 54.000 0.006 0.000 0.846 490 D CB -0.238 40.573 40.800 0.018 0.000 0.941 490 D HN 0.353 nan 8.370 nan 0.000 0.456 491 M N -1.412 118.178 119.600 -0.018 0.000 2.506 491 M HA 0.122 4.602 4.480 -0.000 0.000 0.260 491 M C 1.578 177.856 176.300 -0.037 0.000 1.104 491 M CA 1.003 56.282 55.300 -0.035 0.000 1.112 491 M CB 0.533 33.096 32.600 -0.061 0.000 1.401 491 M HN 0.237 nan 8.290 nan 0.000 0.473 492 G N 1.009 109.792 108.800 -0.028 0.000 2.349 492 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.213 492 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.213 492 G C 0.292 175.177 174.900 -0.026 0.000 1.044 492 G CA -0.502 44.583 45.100 -0.024 0.000 0.633 492 G HN 0.380 nan 8.290 nan 0.000 0.506 493 I N 3.108 123.655 120.570 -0.039 0.000 2.574 493 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 493 I C 0.509 176.611 176.117 -0.026 0.000 1.131 493 I CA 0.313 61.591 61.300 -0.037 0.000 1.352 493 I CB -0.347 37.619 38.000 -0.056 0.000 1.431 493 I HN 0.402 nan 8.210 nan 0.000 0.543 494 L N 4.126 125.340 121.223 -0.015 0.000 2.409 494 L HA 0.784 5.124 4.340 -0.000 0.000 0.255 494 L C -1.170 175.699 176.870 -0.001 0.000 1.027 494 L CA -0.846 53.990 54.840 -0.007 0.000 0.834 494 L CB 1.691 43.748 42.059 -0.003 0.000 1.426 494 L HN 0.087 nan 8.230 nan 0.000 0.411 495 D N -0.324 120.079 120.400 0.004 0.000 2.527 495 D HA 0.533 5.173 4.640 -0.000 0.000 0.233 495 D C -2.779 173.529 176.300 0.014 0.000 1.063 495 D CA -1.292 52.714 54.000 0.009 0.000 0.880 495 D CB 2.401 43.208 40.800 0.011 0.000 1.457 495 D HN 0.370 nan 8.370 nan 0.000 0.475 496 P HA 0.123 nan 4.420 nan 0.000 0.271 496 P C 0.739 178.052 177.300 0.021 0.000 1.216 496 P CA -0.095 63.018 63.100 0.021 0.000 0.771 496 P CB 0.546 32.263 31.700 0.029 0.000 0.864 497 T N 1.342 115.908 114.554 0.019 0.000 2.946 497 T HA -0.177 4.173 4.350 -0.000 0.000 0.271 497 T C 1.539 176.251 174.700 0.020 0.000 1.104 497 T CA 1.249 63.359 62.100 0.017 0.000 1.114 497 T CB -0.232 68.645 68.868 0.014 0.000 0.867 497 T HN 0.484 nan 8.240 nan 0.000 0.513 498 K N 0.973 121.388 120.400 0.025 0.000 2.031 498 K HA -0.045 4.275 4.320 -0.000 0.000 0.205 498 K C 2.468 179.092 176.600 0.040 0.000 1.049 498 K CA 1.192 57.498 56.287 0.032 0.000 0.939 498 K CB -0.217 32.306 32.500 0.039 0.000 0.717 498 K HN 0.322 nan 8.250 nan 0.000 0.438 499 V N -0.608 119.331 119.914 0.042 0.000 2.515 499 V HA -0.150 3.970 4.120 -0.000 0.000 0.250 499 V C 1.623 177.741 176.094 0.040 0.000 1.058 499 V CA 2.229 64.556 62.300 0.045 0.000 1.064 499 V CB -0.808 31.036 31.823 0.036 0.000 0.675 499 V HN 0.245 nan 8.190 nan 0.000 0.461 500 T N 0.128 114.700 114.554 0.031 0.000 2.942 500 T HA -0.035 4.315 4.350 -0.000 0.000 0.265 500 T C 1.972 176.687 174.700 0.024 0.000 1.062 500 T CA 1.602 63.718 62.100 0.026 0.000 1.139 500 T CB -0.266 68.614 68.868 0.020 0.000 0.883 500 T HN 0.594 nan 8.240 nan 0.000 0.468 501 R N 0.852 121.364 120.500 0.020 0.000 2.127 501 R HA 0.073 4.413 4.340 -0.000 0.000 0.217 501 R C 2.285 178.583 176.300 -0.003 0.000 1.074 501 R CA 0.918 57.021 56.100 0.005 0.000 0.991 501 R CB -0.115 30.183 30.300 -0.002 0.000 0.895 501 R HN 0.212 nan 8.270 nan 0.000 0.450 502 S N 0.893 116.611 115.700 0.031 0.000 2.357 502 S HA -0.051 4.419 4.470 -0.000 0.000 0.221 502 S C 2.031 176.727 174.600 0.162 0.000 1.031 502 S CA 1.099 59.345 58.200 0.076 0.000 0.982 502 S CB -0.159 63.141 63.200 0.166 0.000 0.853 502 S HN 0.523 nan 8.310 nan 0.000 0.458 503 A N 1.145 124.044 122.820 0.132 0.000 1.940 503 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 503 A C 2.137 179.780 177.584 0.098 0.000 1.176 503 A CA 1.465 53.575 52.037 0.123 0.000 0.631 503 A CB -0.612 18.430 19.000 0.070 0.000 0.814 503 A HN 0.431 nan 8.150 nan 0.000 0.446 504 L N -0.920 120.335 121.223 0.053 0.000 2.179 504 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 504 L C 2.383 179.258 176.870 0.008 0.000 1.096 504 L CA 1.766 56.623 54.840 0.028 0.000 0.779 504 L CB -0.319 41.748 42.059 0.013 0.000 0.922 504 L HN 0.450 nan 8.230 nan 0.000 0.443 505 Q N -1.892 117.886 119.800 -0.037 0.000 2.187 505 Q HA -0.133 4.207 4.340 -0.000 0.000 0.199 505 Q C 1.871 177.803 176.000 -0.113 0.000 0.957 505 Q CA 1.394 57.128 55.803 -0.116 0.000 0.857 505 Q CB -0.080 28.521 28.738 -0.228 0.000 0.929 505 Q HN 0.496 nan 8.270 nan 0.000 0.453 506 Y N -0.057 120.245 120.300 0.003 0.000 2.337 506 Y HA -0.030 4.520 4.550 -0.000 0.000 0.293 506 Y C 2.245 178.146 175.900 0.002 0.000 1.123 506 Y CA 0.776 58.877 58.100 0.002 0.000 1.201 506 Y CB -0.361 38.099 38.460 0.001 0.000 1.011 506 Y HN 0.110 nan 8.280 nan 0.000 0.545 507 A N -0.170 122.738 122.820 0.147 0.000 1.930 507 A HA -0.056 4.263 4.320 -0.000 0.000 0.217 507 A C 2.412 180.030 177.584 0.057 0.000 1.175 507 A CA 1.607 53.694 52.037 0.084 0.000 0.627 507 A CB -1.071 17.964 19.000 0.059 0.000 0.815 507 A HN 0.345 nan 8.150 nan 0.000 0.443 508 A N -1.110 121.734 122.820 0.041 0.000 2.015 508 A HA -0.015 4.305 4.320 -0.000 0.000 0.219 508 A C 2.398 179.997 177.584 0.025 0.000 1.163 508 A CA 1.914 53.964 52.037 0.022 0.000 0.646 508 A CB -0.677 18.326 19.000 0.004 0.000 0.806 508 A HN 0.471 nan 8.150 nan 0.000 0.448 509 S N -1.035 114.688 115.700 0.039 0.000 2.345 509 S HA -0.103 4.367 4.470 -0.000 0.000 0.219 509 S C 1.947 176.579 174.600 0.054 0.000 1.031 509 S CA 1.426 59.654 58.200 0.045 0.000 0.984 509 S CB -0.403 62.843 63.200 0.077 0.000 0.874 509 S HN 0.401 nan 8.310 nan 0.000 0.451 510 V N 1.657 121.613 119.914 0.070 0.000 2.515 510 V HA 0.005 4.125 4.120 -0.000 0.000 0.250 510 V C 2.434 178.550 176.094 0.037 0.000 1.058 510 V CA 1.867 64.199 62.300 0.053 0.000 1.064 510 V CB -0.781 31.074 31.823 0.053 0.000 0.675 510 V HN 0.543 nan 8.190 nan 0.000 0.461 511 A N -0.070 122.770 122.820 0.035 0.000 1.897 511 A HA 0.033 4.353 4.320 -0.000 0.000 0.215 511 A C 2.372 179.970 177.584 0.023 0.000 1.181 511 A CA 1.652 53.704 52.037 0.026 0.000 0.620 511 A CB -1.387 17.627 19.000 0.024 0.000 0.821 511 A HN 0.602 nan 8.150 nan 0.000 0.443 512 G N 0.145 108.958 108.800 0.023 0.000 2.476 512 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.218 512 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.218 512 G C 1.579 176.491 174.900 0.020 0.000 1.164 512 G CA 1.203 46.314 45.100 0.019 0.000 0.768 512 G HN 0.423 nan 8.290 nan 0.000 0.560 513 L N -0.395 120.842 121.223 0.023 0.000 1.989 513 L HA -0.118 4.222 4.340 -0.000 0.000 0.211 513 L C 3.131 180.014 176.870 0.021 0.000 1.071 513 L CA 1.434 56.287 54.840 0.022 0.000 0.749 513 L CB -0.347 41.727 42.059 0.024 0.000 0.890 513 L HN 0.228 nan 8.230 nan 0.000 0.431 514 M N -0.710 118.904 119.600 0.022 0.000 2.106 514 M HA -0.279 4.201 4.480 -0.000 0.000 0.259 514 M C 2.274 178.586 176.300 0.020 0.000 1.068 514 M CA 1.953 57.266 55.300 0.021 0.000 1.100 514 M CB -0.336 32.276 32.600 0.021 0.000 1.351 514 M HN 0.217 nan 8.290 nan 0.000 0.404 515 I N -0.455 120.126 120.570 0.019 0.000 2.493 515 I HA -0.211 3.959 4.170 -0.000 0.000 0.254 515 I C 1.944 178.072 176.117 0.019 0.000 1.160 515 I CA 1.351 62.662 61.300 0.018 0.000 1.445 515 I CB -0.241 37.768 38.000 0.016 0.000 1.086 515 I HN 0.386 nan 8.210 nan 0.000 0.433 516 T N -2.890 111.675 114.554 0.019 0.000 3.169 516 T HA 0.097 4.447 4.350 -0.000 0.000 0.250 516 T C 0.762 175.476 174.700 0.024 0.000 1.111 516 T CA -0.134 61.979 62.100 0.021 0.000 1.010 516 T CB -0.689 68.191 68.868 0.019 0.000 0.984 516 T HN 0.032 nan 8.240 nan 0.000 0.537 517 T N 2.617 117.186 114.554 0.024 0.000 2.907 517 T HA 0.254 4.604 4.350 -0.000 0.000 0.298 517 T C 0.659 175.379 174.700 0.033 0.000 1.017 517 T CA -0.424 61.692 62.100 0.026 0.000 1.118 517 T CB 1.271 70.153 68.868 0.023 0.000 0.948 517 T HN 0.149 nan 8.240 nan 0.000 0.531 518 E N -0.145 120.080 120.200 0.042 0.000 2.568 518 E HA 0.185 4.535 4.350 -0.000 0.000 0.220 518 E C 0.083 176.732 176.600 0.082 0.000 0.869 518 E CA 0.014 56.457 56.400 0.070 0.000 1.268 518 E CB 0.926 30.678 29.700 0.087 0.000 1.252 518 E HN 0.567 nan 8.360 nan 0.000 0.606 519 C N 0.307 119.615 119.300 0.014 0.000 3.154 519 C HA 0.762 5.222 4.460 -0.000 0.000 0.312 519 C C -1.451 173.477 174.990 -0.103 0.000 1.349 519 C CA -0.425 58.511 59.018 -0.137 0.000 1.518 519 C CB 1.135 28.723 27.740 -0.254 0.000 1.934 519 C HN 0.183 nan 8.230 nan 0.000 0.462 520 M N 3.610 123.126 119.600 -0.140 0.000 2.234 520 M HA 0.393 4.873 4.480 -0.000 0.000 0.267 520 M C -1.162 175.188 176.300 0.083 0.000 1.022 520 M CA -0.278 55.044 55.300 0.038 0.000 0.993 520 M CB 1.845 34.582 32.600 0.228 0.000 1.836 520 M HN 0.406 nan 8.290 nan 0.000 0.479 521 V N 1.367 121.269 119.914 -0.021 0.000 2.713 521 V HA 0.869 4.989 4.120 -0.000 0.000 0.307 521 V C 0.009 176.001 176.094 -0.170 0.000 1.052 521 V CA -0.354 61.913 62.300 -0.055 0.000 0.967 521 V CB 1.980 33.770 31.823 -0.055 0.000 1.019 521 V HN 0.894 nan 8.190 nan 0.000 0.459 522 T N 1.197 115.627 114.554 -0.208 0.000 3.003 522 T HA 0.176 4.526 4.350 -0.000 0.000 0.354 522 T C -1.334 173.251 174.700 -0.191 0.000 1.651 522 T CA -0.694 61.227 62.100 -0.298 0.000 1.103 522 T CB 1.309 69.790 68.868 -0.644 0.000 1.450 522 T HN 0.771 nan 8.240 nan 0.000 0.484 523 D N 2.025 122.337 120.400 -0.147 0.000 2.474 523 D HA 0.097 4.737 4.640 -0.000 0.000 0.232 523 D C 0.220 176.473 176.300 -0.078 0.000 1.177 523 D CA 0.253 54.199 54.000 -0.090 0.000 0.876 523 D CB 0.499 41.255 40.800 -0.074 0.000 1.208 523 D HN 0.248 nan 8.370 nan 0.000 0.464 524 L N 2.955 124.158 121.223 -0.034 0.000 2.397 524 L HA 0.230 4.570 4.340 -0.000 0.000 0.271 524 L C -1.460 175.400 176.870 -0.016 0.000 1.148 524 L CA -0.979 53.856 54.840 -0.009 0.000 0.825 524 L CB -0.275 41.787 42.059 0.006 0.000 1.117 524 L HN 0.285 nan 8.230 nan 0.000 0.456 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.096 63.100 -0.007 0.000 0.800 525 P CB 0.000 31.704 31.700 0.007 0.000 0.726