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 1pf9_1_G 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 QNEDQNVGIK 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 0.000 177.575 177.584 -0.014 0.000 1.274 2 A CA 0.000 52.027 52.037 -0.016 0.000 0.836 2 A CB 0.000 18.986 19.000 -0.024 0.000 0.831 3 A N 2.349 125.164 122.820 -0.009 0.000 2.561 3 A HA 0.513 4.832 4.320 -0.001 0.000 0.234 3 A C 0.257 177.834 177.584 -0.010 0.000 1.055 3 A CA 0.434 52.469 52.037 -0.004 0.000 0.756 3 A CB -0.018 18.983 19.000 0.002 0.000 0.986 3 A HN 0.625 nan 8.150 nan 0.000 0.505 4 K N 1.476 121.873 120.400 -0.005 0.000 2.208 4 K HA 0.402 4.722 4.320 -0.001 0.000 0.247 4 K C -1.217 175.392 176.600 0.015 0.000 0.953 4 K CA -0.719 55.560 56.287 -0.013 0.000 0.837 4 K CB 1.592 34.082 32.500 -0.017 0.000 1.131 4 K HN 0.687 nan 8.250 nan 0.000 0.431 5 D N 1.907 122.320 120.400 0.023 0.000 2.392 5 D HA 0.214 4.853 4.640 -0.001 0.000 0.228 5 D C -0.941 175.484 176.300 0.209 0.000 1.074 5 D CA -0.535 53.541 54.000 0.127 0.000 0.838 5 D CB 0.935 41.842 40.800 0.179 0.000 1.067 5 D HN 0.276 nan 8.370 nan 0.000 0.511 6 V N 1.356 121.342 119.914 0.119 0.000 2.483 6 V HA 0.666 4.785 4.120 -0.001 0.000 0.295 6 V C -0.376 175.639 176.094 -0.130 0.000 1.035 6 V CA -0.561 61.731 62.300 -0.013 0.000 0.896 6 V CB 1.505 33.232 31.823 -0.160 0.000 0.986 6 V HN 0.331 nan 8.190 nan 0.000 0.447 7 K N 4.000 124.233 120.400 -0.279 0.000 2.371 7 K HA 0.722 5.042 4.320 -0.001 0.000 0.251 7 K C -1.632 174.689 176.600 -0.464 0.000 0.934 7 K CA -0.428 55.623 56.287 -0.393 0.000 0.798 7 K CB 2.305 34.389 32.500 -0.693 0.000 1.204 7 K HN 0.721 nan 8.250 nan 0.000 0.427 8 F N 0.189 120.090 119.950 -0.082 0.000 2.598 8 F HA 0.434 4.961 4.527 -0.001 0.000 0.327 8 F C 1.332 177.100 175.800 -0.053 0.000 1.057 8 F CA 0.128 58.101 58.000 -0.044 0.000 0.957 8 F CB 1.702 40.685 39.000 -0.027 0.000 1.278 8 F HN 0.800 nan 8.300 nan 0.000 0.484 9 G N 1.782 110.707 108.800 0.210 0.000 2.660 9 G HA2 -0.522 3.438 3.960 -0.001 0.000 0.338 9 G HA3 -0.522 3.438 3.960 -0.001 0.000 0.338 9 G C 0.984 175.907 174.900 0.038 0.000 1.336 9 G CA 1.325 46.484 45.100 0.097 0.000 0.990 9 G HN 0.926 nan 8.290 nan 0.000 0.537 10 N N 0.166 118.879 118.700 0.022 0.000 2.166 10 N HA -0.078 4.662 4.740 -0.001 0.000 0.186 10 N C 1.765 177.263 175.510 -0.021 0.000 1.019 10 N CA 2.113 55.164 53.050 0.001 0.000 0.856 10 N CB -0.220 38.267 38.487 0.001 0.000 0.993 10 N HN 0.512 nan 8.380 nan 0.000 0.426 11 D N 0.180 120.562 120.400 -0.031 0.000 2.137 11 D HA -0.198 4.441 4.640 -0.001 0.000 0.189 11 D C 1.885 178.105 176.300 -0.133 0.000 0.998 11 D CA 1.938 55.891 54.000 -0.078 0.000 0.839 11 D CB -0.832 39.917 40.800 -0.083 0.000 0.962 11 D HN 0.458 nan 8.370 nan 0.000 0.446 12 A N 0.494 123.227 122.820 -0.144 0.000 1.908 12 A HA -0.223 4.096 4.320 -0.001 0.000 0.218 12 A C 2.207 179.742 177.584 -0.082 0.000 1.181 12 A CA 1.676 53.601 52.037 -0.187 0.000 0.627 12 A CB -0.445 18.469 19.000 -0.144 0.000 0.818 12 A HN 0.151 nan 8.150 nan 0.000 0.445 13 R N -0.895 119.582 120.500 -0.038 0.000 2.066 13 R HA -0.069 4.271 4.340 -0.001 0.000 0.232 13 R C 2.123 178.417 176.300 -0.011 0.000 1.131 13 R CA 1.400 57.494 56.100 -0.010 0.000 0.955 13 R CB -0.682 29.618 30.300 0.001 0.000 0.851 13 R HN 0.379 nan 8.270 nan 0.000 0.432 14 V N 2.078 121.979 119.914 -0.022 0.000 2.252 14 V HA -0.339 3.781 4.120 -0.001 0.000 0.249 14 V C 2.330 178.417 176.094 -0.011 0.000 1.056 14 V CA 1.828 64.118 62.300 -0.017 0.000 1.022 14 V CB -0.418 31.390 31.823 -0.024 0.000 0.641 14 V HN 0.305 nan 8.190 nan 0.000 0.445 15 K N -0.636 119.747 120.400 -0.029 0.000 2.009 15 K HA -0.225 4.095 4.320 -0.001 0.000 0.210 15 K C 2.142 178.767 176.600 0.042 0.000 1.049 15 K CA 2.017 58.307 56.287 0.005 0.000 0.929 15 K CB -0.755 31.735 32.500 -0.017 0.000 0.714 15 K HN 0.446 nan 8.250 nan 0.000 0.440 16 M N 0.730 120.355 119.600 0.042 0.000 2.108 16 M HA -0.231 4.249 4.480 -0.001 0.000 0.257 16 M C 2.156 178.478 176.300 0.035 0.000 1.071 16 M CA 1.506 56.838 55.300 0.052 0.000 1.093 16 M CB -0.124 32.502 32.600 0.043 0.000 1.345 16 M HN 0.113 nan 8.290 nan 0.000 0.403 17 L N 0.250 121.487 121.223 0.023 0.000 2.109 17 L HA -0.132 4.207 4.340 -0.001 0.000 0.207 17 L C 2.229 179.109 176.870 0.018 0.000 1.086 17 L CA 1.742 56.592 54.840 0.018 0.000 0.760 17 L CB -0.562 41.504 42.059 0.012 0.000 0.910 17 L HN 0.213 nan 8.230 nan 0.000 0.437 18 R N -0.399 120.112 120.500 0.019 0.000 2.091 18 R HA -0.128 4.212 4.340 -0.001 0.000 0.238 18 R C 2.214 178.527 176.300 0.022 0.000 1.136 18 R CA 1.239 57.350 56.100 0.019 0.000 0.959 18 R CB -1.093 29.219 30.300 0.020 0.000 0.856 18 R HN 0.583 nan 8.270 nan 0.000 0.437 19 G N 0.824 109.642 108.800 0.030 0.000 2.480 19 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.216 19 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.216 19 G C 1.503 176.415 174.900 0.020 0.000 1.200 19 G CA 1.144 46.261 45.100 0.029 0.000 0.782 19 G HN 0.138 nan 8.290 nan 0.000 0.554 20 V N 1.616 121.543 119.914 0.021 0.000 2.250 20 V HA -0.364 3.756 4.120 -0.001 0.000 0.253 20 V C 2.519 178.621 176.094 0.013 0.000 1.065 20 V CA 2.477 64.787 62.300 0.016 0.000 1.039 20 V CB -1.056 30.777 31.823 0.017 0.000 0.647 20 V HN 0.485 nan 8.190 nan 0.000 0.446 21 N N -0.156 118.551 118.700 0.013 0.000 2.069 21 N HA -0.166 4.574 4.740 -0.001 0.000 0.191 21 N C 1.762 177.277 175.510 0.008 0.000 1.031 21 N CA 1.525 54.581 53.050 0.010 0.000 0.852 21 N CB -0.333 38.160 38.487 0.010 0.000 1.018 21 N HN 0.325 nan 8.380 nan 0.000 0.423 22 V N 1.893 121.813 119.914 0.009 0.000 2.252 22 V HA -0.235 3.885 4.120 -0.001 0.000 0.249 22 V C 2.257 178.354 176.094 0.004 0.000 1.056 22 V CA 1.414 63.718 62.300 0.006 0.000 1.022 22 V CB -0.729 31.099 31.823 0.007 0.000 0.641 22 V HN 0.387 nan 8.190 nan 0.000 0.445 23 L N 0.991 122.217 121.223 0.005 0.000 1.955 23 L HA -0.152 4.188 4.340 -0.001 0.000 0.213 23 L C 2.583 179.455 176.870 0.004 0.000 1.072 23 L CA 2.930 57.772 54.840 0.003 0.000 0.755 23 L CB -1.767 40.294 42.059 0.004 0.000 0.888 23 L HN 0.309 nan 8.230 nan 0.000 0.432 24 A N -0.014 122.810 122.820 0.006 0.000 1.903 24 A HA -0.291 4.029 4.320 -0.001 0.000 0.219 24 A C 1.890 179.477 177.584 0.005 0.000 1.191 24 A CA 2.235 54.276 52.037 0.007 0.000 0.638 24 A CB -1.007 17.998 19.000 0.009 0.000 0.823 24 A HN 0.624 nan 8.150 nan 0.000 0.451 25 D N -0.030 120.373 120.400 0.005 0.000 2.144 25 D HA -0.034 4.605 4.640 -0.001 0.000 0.199 25 D C 2.138 178.439 176.300 0.001 0.000 0.984 25 D CA 1.541 55.543 54.000 0.003 0.000 0.834 25 D CB -0.555 40.246 40.800 0.003 0.000 0.955 25 D HN 0.476 nan 8.370 nan 0.000 0.465 26 A N 0.391 123.211 122.820 -0.000 0.000 1.972 26 A HA -0.107 4.212 4.320 -0.001 0.000 0.219 26 A C 2.387 179.970 177.584 -0.002 0.000 1.169 26 A CA 1.062 53.098 52.037 -0.003 0.000 0.635 26 A CB -0.433 18.564 19.000 -0.004 0.000 0.810 26 A HN 0.177 nan 8.150 nan 0.000 0.446 27 V N -0.214 119.700 119.914 -0.000 0.000 2.535 27 V HA -0.142 3.978 4.120 -0.001 0.000 0.246 27 V C 2.285 178.380 176.094 0.002 0.000 1.045 27 V CA 1.680 63.980 62.300 0.000 0.000 1.058 27 V CB -0.487 31.337 31.823 0.001 0.000 0.689 27 V HN 0.477 nan 8.190 nan 0.000 0.461 28 K N 0.819 121.221 120.400 0.004 0.000 2.063 28 K HA -0.175 4.145 4.320 -0.001 0.000 0.208 28 K C 2.080 178.682 176.600 0.004 0.000 1.048 28 K CA 1.870 58.161 56.287 0.005 0.000 0.928 28 K CB -0.620 31.883 32.500 0.006 0.000 0.713 28 K HN 0.567 nan 8.250 nan 0.000 0.442 29 V N -0.111 119.805 119.914 0.002 0.000 2.828 29 V HA -0.166 3.953 4.120 -0.001 0.000 0.260 29 V C 1.947 178.043 176.094 0.002 0.000 1.101 29 V CA 2.085 64.386 62.300 0.002 0.000 1.123 29 V CB -1.484 30.339 31.823 -0.000 0.000 0.704 29 V HN 0.366 nan 8.190 nan 0.000 0.493 30 T N -2.422 112.133 114.554 0.002 0.000 3.163 30 T HA 0.367 4.717 4.350 -0.001 0.000 0.252 30 T C 0.215 174.917 174.700 0.005 0.000 1.056 30 T CA -0.221 61.881 62.100 0.002 0.000 0.947 30 T CB -0.060 68.808 68.868 0.001 0.000 1.016 30 T HN 0.363 nan 8.240 nan 0.000 0.554 31 L N 2.236 123.463 121.223 0.007 0.000 2.276 31 L HA 0.686 5.026 4.340 -0.001 0.000 0.286 31 L C 0.556 177.432 176.870 0.011 0.000 1.061 31 L CA 1.201 56.047 54.840 0.010 0.000 0.807 31 L CB 0.150 42.217 42.059 0.012 0.000 1.177 31 L HN 0.611 nan 8.230 nan 0.000 0.429 32 G N 4.603 113.410 108.800 0.010 0.000 2.712 32 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.683 32 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.683 32 G C -2.230 172.671 174.900 0.003 0.000 1.320 32 G CA -0.340 44.765 45.100 0.009 0.000 0.847 32 G HN 0.534 nan 8.290 nan 0.000 0.553 33 P HA -0.046 nan 4.420 nan 0.000 0.218 33 P C 1.021 178.317 177.300 -0.007 0.000 1.148 33 P CA 1.463 64.557 63.100 -0.011 0.000 0.822 33 P CB 0.040 31.725 31.700 -0.025 0.000 0.784 34 K N 0.413 120.813 120.400 -0.001 0.000 2.596 34 K HA 0.243 4.562 4.320 -0.001 0.000 0.211 34 K C 1.119 177.722 176.600 0.004 0.000 1.046 34 K CA -0.364 55.924 56.287 0.002 0.000 1.202 34 K CB -0.035 32.469 32.500 0.007 0.000 0.925 34 K HN 0.088 nan 8.250 nan 0.000 0.486 35 G N 0.965 109.767 108.800 0.003 0.000 2.606 35 G HA2 0.163 4.123 3.960 -0.001 0.000 0.252 35 G HA3 0.163 4.123 3.960 -0.001 0.000 0.252 35 G C -0.195 174.705 174.900 0.001 0.000 1.206 35 G CA -0.394 44.708 45.100 0.003 0.000 0.861 35 G HN 0.233 nan 8.290 nan 0.000 0.561 36 R N -0.194 120.306 120.500 0.000 0.000 2.939 36 R HA 0.342 4.681 4.340 -0.001 0.000 0.254 36 R C -0.542 175.756 176.300 -0.003 0.000 1.123 36 R CA -1.005 55.094 56.100 -0.001 0.000 1.020 36 R CB 1.381 31.680 30.300 -0.002 0.000 1.206 36 R HN 0.495 nan 8.270 nan 0.000 0.491 37 N N -0.143 118.554 118.700 -0.004 0.000 2.482 37 N HA 0.414 5.153 4.740 -0.001 0.000 0.279 37 N C -0.918 174.587 175.510 -0.008 0.000 1.182 37 N CA -0.375 52.671 53.050 -0.006 0.000 0.969 37 N CB 1.740 40.223 38.487 -0.006 0.000 1.201 37 N HN 0.101 nan 8.380 nan 0.000 0.523 38 V N 0.711 120.619 119.914 -0.010 0.000 2.769 38 V HA 0.415 4.534 4.120 -0.001 0.000 0.312 38 V C -0.184 175.899 176.094 -0.018 0.000 1.061 38 V CA -0.850 61.442 62.300 -0.013 0.000 0.931 38 V CB 2.226 34.041 31.823 -0.013 0.000 1.010 38 V HN 0.290 nan 8.190 nan 0.000 0.433 39 V N 5.205 125.106 119.914 -0.023 0.000 2.370 39 V HA 0.491 4.611 4.120 -0.001 0.000 0.283 39 V C -0.382 175.688 176.094 -0.041 0.000 1.023 39 V CA -0.426 61.856 62.300 -0.031 0.000 0.857 39 V CB 1.324 33.128 31.823 -0.031 0.000 0.985 39 V HN 0.620 nan 8.190 nan 0.000 0.443 40 L N 3.824 125.016 121.223 -0.052 0.000 2.305 40 L HA 0.553 4.893 4.340 -0.001 0.000 0.284 40 L C 0.044 176.847 176.870 -0.113 0.000 1.013 40 L CA -0.531 54.266 54.840 -0.070 0.000 0.819 40 L CB 1.410 43.434 42.059 -0.060 0.000 1.227 40 L HN 0.486 nan 8.230 nan 0.000 0.417 41 D N 2.979 123.303 120.400 -0.127 0.000 2.363 41 D HA 0.288 4.928 4.640 -0.001 0.000 0.240 41 D C -0.573 175.540 176.300 -0.311 0.000 1.236 41 D CA 0.178 54.076 54.000 -0.170 0.000 0.927 41 D CB 0.848 41.571 40.800 -0.129 0.000 1.150 41 D HN 0.393 nan 8.370 nan 0.000 0.458 42 K N -0.127 120.029 120.400 -0.407 0.000 2.616 42 K HA 0.144 4.463 4.320 -0.001 0.000 0.255 42 K C 0.688 176.944 176.600 -0.574 0.000 0.995 42 K CA -0.334 55.431 56.287 -0.869 0.000 0.860 42 K CB 1.385 33.300 32.500 -0.975 0.000 1.264 42 K HN 0.309 nan 8.250 nan 0.000 0.451 43 S N 2.816 118.273 115.700 -0.405 0.000 2.383 43 S HA -0.173 4.297 4.470 -0.001 0.000 0.229 43 S C 1.631 176.355 174.600 0.207 0.000 1.030 43 S CA 0.978 59.196 58.200 0.031 0.000 1.002 43 S CB -0.580 62.731 63.200 0.184 0.000 0.829 43 S HN 0.505 nan 8.310 nan 0.000 0.467 44 F N 2.890 122.836 119.950 -0.007 0.000 2.338 44 F HA 0.060 4.587 4.527 -0.001 0.000 0.305 44 F C 1.957 177.753 175.800 -0.006 0.000 1.288 44 F CA 0.527 58.523 58.000 -0.007 0.000 1.280 44 F CB -1.819 37.177 39.000 -0.007 0.000 0.893 44 F HN 0.494 nan 8.300 nan 0.000 0.591 45 G N -1.858 107.038 108.800 0.161 0.000 3.187 45 G HA2 0.595 4.555 3.960 -0.001 0.000 0.175 45 G HA3 0.595 4.555 3.960 -0.001 0.000 0.175 45 G C -0.965 173.933 174.900 -0.004 0.000 1.112 45 G CA -0.205 44.934 45.100 0.065 0.000 0.821 45 G HN 0.571 nan 8.290 nan 0.000 0.636 46 A N 0.732 123.552 122.820 -0.001 0.000 2.561 46 A HA 0.538 4.858 4.320 -0.001 0.000 0.234 46 A C -1.818 175.733 177.584 -0.055 0.000 1.055 46 A CA -0.192 51.831 52.037 -0.024 0.000 0.756 46 A CB -0.665 18.329 19.000 -0.009 0.000 0.986 46 A HN 0.350 nan 8.150 nan 0.000 0.505 47 P HA 0.194 nan 4.420 nan 0.000 0.272 47 P C -0.077 177.188 177.300 -0.059 0.000 1.248 47 P CA 0.101 63.148 63.100 -0.088 0.000 0.799 47 P CB 0.385 32.042 31.700 -0.072 0.000 0.997 48 T N 0.977 115.494 114.554 -0.061 0.000 2.792 48 T HA 0.539 4.889 4.350 -0.001 0.000 0.280 48 T C -0.110 174.573 174.700 -0.030 0.000 0.990 48 T CA -0.315 61.764 62.100 -0.035 0.000 0.960 48 T CB 0.006 68.854 68.868 -0.034 0.000 0.939 48 T HN 0.114 nan 8.240 nan 0.000 0.439 49 I N 3.028 123.587 120.570 -0.018 0.000 2.321 49 I HA 0.520 4.690 4.170 -0.001 0.000 0.291 49 I C 0.573 176.685 176.117 -0.009 0.000 0.998 49 I CA -0.307 60.985 61.300 -0.014 0.000 1.227 49 I CB 1.608 39.601 38.000 -0.012 0.000 1.368 49 I HN 0.443 nan 8.210 nan 0.000 0.466 50 T N 4.243 118.792 114.554 -0.009 0.000 2.883 50 T HA 0.341 4.690 4.350 -0.001 0.000 0.301 50 T C 0.040 174.738 174.700 -0.005 0.000 1.158 50 T CA -0.605 61.492 62.100 -0.005 0.000 1.007 50 T CB 1.800 70.665 68.868 -0.004 0.000 1.186 50 T HN 0.695 nan 8.240 nan 0.000 0.499 51 K N 1.062 121.461 120.400 -0.002 0.000 2.387 51 K HA 0.195 4.515 4.320 -0.001 0.000 0.203 51 K C -0.514 176.085 176.600 -0.001 0.000 1.030 51 K CA -0.111 56.176 56.287 -0.001 0.000 1.099 51 K CB 0.379 32.880 32.500 0.000 0.000 0.863 51 K HN 0.515 nan 8.250 nan 0.000 0.529 52 D N -0.400 119.998 120.400 -0.003 0.000 2.396 52 D HA 0.145 4.785 4.640 -0.001 0.000 0.225 52 D C 1.175 177.470 176.300 -0.008 0.000 1.121 52 D CA -0.141 53.856 54.000 -0.005 0.000 0.853 52 D CB 1.302 42.099 40.800 -0.005 0.000 1.043 52 D HN 0.183 nan 8.370 nan 0.000 0.500 53 G N 2.670 111.466 108.800 -0.007 0.000 2.556 53 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.220 53 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.220 53 G C 1.503 176.397 174.900 -0.011 0.000 1.156 53 G CA 0.991 46.087 45.100 -0.007 0.000 0.766 53 G HN 0.514 nan 8.290 nan 0.000 0.583 54 V N 0.237 120.141 119.914 -0.017 0.000 2.626 54 V HA -0.099 4.021 4.120 -0.001 0.000 0.252 54 V C 2.843 178.927 176.094 -0.016 0.000 1.067 54 V CA 2.706 64.993 62.300 -0.022 0.000 1.081 54 V CB -0.255 31.547 31.823 -0.036 0.000 0.686 54 V HN 0.335 nan 8.190 nan 0.000 0.468 55 S N -0.440 115.253 115.700 -0.012 0.000 2.355 55 S HA -0.126 4.344 4.470 -0.001 0.000 0.222 55 S C 1.848 176.444 174.600 -0.007 0.000 1.031 55 S CA 1.567 59.763 58.200 -0.006 0.000 0.993 55 S CB -0.049 63.149 63.200 -0.003 0.000 0.859 55 S HN 0.509 nan 8.310 nan 0.000 0.453 56 V N 2.158 122.067 119.914 -0.009 0.000 2.295 56 V HA -0.218 3.902 4.120 -0.001 0.000 0.246 56 V C 2.635 178.724 176.094 -0.009 0.000 1.049 56 V CA 1.787 64.081 62.300 -0.010 0.000 1.024 56 V CB -1.284 30.534 31.823 -0.009 0.000 0.648 56 V HN 0.525 nan 8.190 nan 0.000 0.447 57 A N 0.545 123.360 122.820 -0.009 0.000 1.859 57 A HA -0.259 4.061 4.320 -0.001 0.000 0.217 57 A C 2.275 179.854 177.584 -0.008 0.000 1.198 57 A CA 2.039 54.071 52.037 -0.008 0.000 0.629 57 A CB -0.657 18.337 19.000 -0.010 0.000 0.830 57 A HN 0.498 nan 8.150 nan 0.000 0.446 58 R N -0.270 120.226 120.500 -0.008 0.000 2.244 58 R HA -0.182 4.158 4.340 -0.001 0.000 0.252 58 R C 1.377 177.678 176.300 0.002 0.000 1.177 58 R CA 1.439 57.537 56.100 -0.003 0.000 1.004 58 R CB -0.551 29.750 30.300 0.001 0.000 0.873 58 R HN 0.571 nan 8.270 nan 0.000 0.469 59 E N 0.352 120.551 120.200 -0.002 0.000 2.371 59 E HA 0.060 4.410 4.350 -0.001 0.000 0.194 59 E C 0.694 177.290 176.600 -0.006 0.000 1.012 59 E CA 0.173 56.571 56.400 -0.004 0.000 0.860 59 E CB 0.187 29.878 29.700 -0.014 0.000 0.811 59 E HN 0.169 nan 8.360 nan 0.000 0.502 60 I N 2.185 122.752 120.570 -0.006 0.000 2.452 60 I HA 0.139 4.308 4.170 -0.001 0.000 0.287 60 I C 0.415 176.529 176.117 -0.005 0.000 1.079 60 I CA 0.203 61.500 61.300 -0.006 0.000 1.387 60 I CB 0.186 38.183 38.000 -0.004 0.000 1.404 60 I HN -0.041 nan 8.210 nan 0.000 0.522 61 E N 6.275 126.472 120.200 -0.005 0.000 2.308 61 E HA 0.514 4.863 4.350 -0.001 0.000 0.275 61 E C -1.889 174.707 176.600 -0.006 0.000 0.890 61 E CA -0.674 55.722 56.400 -0.007 0.000 0.754 61 E CB 2.110 31.805 29.700 -0.007 0.000 1.207 61 E HN 0.234 nan 8.360 nan 0.000 0.426 62 L N 3.056 124.276 121.223 -0.006 0.000 2.313 62 L HA 0.329 4.669 4.340 -0.001 0.000 0.268 62 L C 1.281 178.148 176.870 -0.004 0.000 1.010 62 L CA -0.111 54.729 54.840 -0.001 0.000 0.814 62 L CB 1.350 43.414 42.059 0.007 0.000 1.304 62 L HN 0.867 nan 8.230 nan 0.000 0.441 63 E N 0.028 120.229 120.200 0.001 0.000 2.076 63 E HA -0.111 4.239 4.350 -0.001 0.000 0.190 63 E C 0.233 176.833 176.600 0.001 0.000 0.979 63 E CA 0.339 56.738 56.400 -0.001 0.000 0.807 63 E CB 0.170 29.872 29.700 0.003 0.000 0.761 63 E HN 0.630 nan 8.360 nan 0.000 0.454 64 D N 1.046 121.458 120.400 0.020 0.000 2.389 64 D HA -0.067 4.572 4.640 -0.001 0.000 0.263 64 D C 0.565 176.877 176.300 0.020 0.000 1.255 64 D CA 0.074 54.102 54.000 0.047 0.000 0.914 64 D CB 0.769 41.618 40.800 0.081 0.000 1.116 64 D HN 0.073 nan 8.370 nan 0.000 0.502 65 K N 3.378 123.748 120.400 -0.051 0.000 2.211 65 K HA -0.161 4.159 4.320 -0.001 0.000 0.204 65 K C 1.652 178.103 176.600 -0.248 0.000 1.047 65 K CA 1.016 57.186 56.287 -0.196 0.000 0.935 65 K CB -0.125 32.170 32.500 -0.341 0.000 0.728 65 K HN 0.500 nan 8.250 nan 0.000 0.452 66 F N 1.093 121.032 119.950 -0.019 0.000 2.179 66 F HA -0.002 4.524 4.527 -0.001 0.000 0.292 66 F C 2.360 178.150 175.800 -0.016 0.000 1.089 66 F CA 0.743 58.729 58.000 -0.022 0.000 1.295 66 F CB -0.362 38.623 39.000 -0.024 0.000 1.041 66 F HN 0.044 nan 8.300 nan 0.000 0.487 67 E N 0.176 120.484 120.200 0.180 0.000 2.118 67 E HA -0.273 4.076 4.350 -0.001 0.000 0.195 67 E C 1.844 178.476 176.600 0.053 0.000 0.992 67 E CA 1.385 57.842 56.400 0.095 0.000 0.804 67 E CB -0.287 29.455 29.700 0.070 0.000 0.741 67 E HN 0.265 nan 8.360 nan 0.000 0.458 68 N N 0.511 119.228 118.700 0.027 0.000 2.069 68 N HA -0.179 4.560 4.740 -0.001 0.000 0.191 68 N C 1.725 177.232 175.510 -0.004 0.000 1.031 68 N CA 1.464 54.513 53.050 -0.002 0.000 0.852 68 N CB -0.043 38.425 38.487 -0.030 0.000 1.018 68 N HN 0.076 nan 8.380 nan 0.000 0.423 69 M N -0.536 119.059 119.600 -0.008 0.000 2.106 69 M HA -0.110 4.370 4.480 -0.001 0.000 0.259 69 M C 2.151 178.463 176.300 0.019 0.000 1.068 69 M CA 1.814 57.112 55.300 -0.003 0.000 1.100 69 M CB -0.721 31.878 32.600 -0.001 0.000 1.351 69 M HN 0.354 nan 8.290 nan 0.000 0.404 70 G N -0.124 108.700 108.800 0.039 0.000 2.514 70 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.217 70 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.217 70 G C 1.582 176.494 174.900 0.020 0.000 1.198 70 G CA 1.204 46.325 45.100 0.035 0.000 0.780 70 G HN 0.568 nan 8.290 nan 0.000 0.565 71 A N -0.422 122.408 122.820 0.016 0.000 1.902 71 A HA -0.049 4.271 4.320 -0.001 0.000 0.217 71 A C 2.355 179.941 177.584 0.003 0.000 1.181 71 A CA 1.901 53.943 52.037 0.009 0.000 0.623 71 A CB -0.323 18.681 19.000 0.007 0.000 0.818 71 A HN 0.335 nan 8.150 nan 0.000 0.443 72 Q N -0.986 118.814 119.800 -0.000 0.000 2.369 72 Q HA 0.020 4.360 4.340 -0.001 0.000 0.206 72 Q C 1.958 177.955 176.000 -0.005 0.000 0.963 72 Q CA 0.920 56.719 55.803 -0.006 0.000 0.894 72 Q CB -0.222 28.508 28.738 -0.013 0.000 0.965 72 Q HN 0.778 nan 8.270 nan 0.000 0.475 73 M N -0.466 119.135 119.600 0.002 0.000 2.171 73 M HA -0.101 4.378 4.480 -0.001 0.000 0.260 73 M C 2.211 178.514 176.300 0.006 0.000 1.087 73 M CA 0.994 56.297 55.300 0.005 0.000 1.154 73 M CB -0.213 32.394 32.600 0.012 0.000 1.331 73 M HN 0.008 nan 8.290 nan 0.000 0.431 74 V N -0.449 119.471 119.914 0.010 0.000 2.469 74 V HA -0.260 3.860 4.120 -0.001 0.000 0.251 74 V C 2.112 178.208 176.094 0.004 0.000 1.064 74 V CA 1.873 64.180 62.300 0.012 0.000 1.066 74 V CB -1.408 30.423 31.823 0.013 0.000 0.667 74 V HN 0.506 nan 8.190 nan 0.000 0.461 75 K N 0.570 120.969 120.400 -0.002 0.000 2.293 75 K HA -0.286 4.033 4.320 -0.001 0.000 0.204 75 K C 2.166 178.753 176.600 -0.022 0.000 1.045 75 K CA 2.044 58.325 56.287 -0.010 0.000 0.933 75 K CB -0.137 32.356 32.500 -0.011 0.000 0.736 75 K HN 0.699 nan 8.250 nan 0.000 0.463 76 E N 0.230 120.417 120.200 -0.021 0.000 2.371 76 E HA -0.097 4.252 4.350 -0.001 0.000 0.194 76 E C 1.810 178.375 176.600 -0.058 0.000 1.012 76 E CA 0.511 56.886 56.400 -0.041 0.000 0.860 76 E CB 0.268 29.949 29.700 -0.031 0.000 0.811 76 E HN 0.294 nan 8.360 nan 0.000 0.502 77 V N -0.130 119.772 119.914 -0.020 0.000 2.283 77 V HA -0.116 4.003 4.120 -0.001 0.000 0.243 77 V C 2.219 178.294 176.094 -0.033 0.000 1.039 77 V CA 1.910 64.211 62.300 0.003 0.000 1.016 77 V CB -0.504 31.352 31.823 0.055 0.000 0.650 77 V HN 0.249 nan 8.190 nan 0.000 0.449 78 A N 0.134 122.941 122.820 -0.022 0.000 1.940 78 A HA -0.221 4.098 4.320 -0.001 0.000 0.219 78 A C 2.637 180.184 177.584 -0.061 0.000 1.176 78 A CA 2.746 54.767 52.037 -0.027 0.000 0.631 78 A CB -1.182 17.807 19.000 -0.017 0.000 0.814 78 A HN 0.817 nan 8.150 nan 0.000 0.446 79 S N -1.016 114.637 115.700 -0.078 0.000 2.357 79 S HA -0.143 4.327 4.470 -0.001 0.000 0.221 79 S C 2.196 176.699 174.600 -0.161 0.000 1.031 79 S CA 1.519 59.661 58.200 -0.097 0.000 0.982 79 S CB -0.284 62.868 63.200 -0.080 0.000 0.853 79 S HN 0.432 nan 8.310 nan 0.000 0.458 80 K N 1.278 121.522 120.400 -0.259 0.000 2.026 80 K HA 0.049 4.368 4.320 -0.001 0.000 0.208 80 K C 2.407 178.679 176.600 -0.547 0.000 1.048 80 K CA 1.243 57.231 56.287 -0.499 0.000 0.929 80 K CB -1.107 30.900 32.500 -0.822 0.000 0.713 80 K HN 0.433 nan 8.250 nan 0.000 0.439 81 A N 2.155 124.749 122.820 -0.377 0.000 1.954 81 A HA -0.285 4.034 4.320 -0.001 0.000 0.222 81 A C 2.027 179.578 177.584 -0.055 0.000 1.199 81 A CA 2.349 54.354 52.037 -0.052 0.000 0.657 81 A CB -0.843 18.182 19.000 0.041 0.000 0.823 81 A HN 0.562 nan 8.150 nan 0.000 0.463 82 N N -1.099 117.539 118.700 -0.103 0.000 2.207 82 N HA -0.140 4.599 4.740 -0.001 0.000 0.182 82 N C 0.813 176.257 175.510 -0.109 0.000 1.020 82 N CA 1.288 54.278 53.050 -0.101 0.000 0.858 82 N CB -0.156 38.273 38.487 -0.097 0.000 0.991 82 N HN 0.378 nan 8.380 nan 0.000 0.427 83 D N 0.638 120.972 120.400 -0.111 0.000 2.264 83 D HA -0.025 4.614 4.640 -0.001 0.000 0.208 83 D C 1.652 177.933 176.300 -0.032 0.000 0.966 83 D CA 0.550 54.505 54.000 -0.074 0.000 0.864 83 D CB -0.048 40.701 40.800 -0.085 0.000 0.933 83 D HN 0.387 nan 8.370 nan 0.000 0.499 84 A N 0.329 123.134 122.820 -0.025 0.000 1.878 84 A HA 0.314 4.633 4.320 -0.001 0.000 0.213 84 A C 1.894 179.527 177.584 0.081 0.000 1.192 84 A CA 1.623 53.705 52.037 0.075 0.000 0.619 84 A CB 0.102 19.239 19.000 0.229 0.000 0.837 84 A HN 0.197 nan 8.150 nan 0.000 0.446 85 A N -2.724 120.127 122.820 0.052 0.000 2.671 85 A HA 0.475 4.794 4.320 -0.001 0.000 0.265 85 A C 1.412 178.989 177.584 -0.011 0.000 1.148 85 A CA 0.969 53.041 52.037 0.058 0.000 0.977 85 A CB -0.493 18.552 19.000 0.074 0.000 1.242 85 A HN 1.900 nan 8.150 nan 0.000 0.591 86 G N -0.103 108.614 108.800 -0.138 0.000 2.321 86 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.287 86 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.287 86 G C -0.197 174.603 174.900 -0.166 0.000 1.018 86 G CA 0.912 45.809 45.100 -0.339 0.000 0.855 86 G HN 0.730 nan 8.290 nan 0.000 0.507 87 D N -2.523 117.843 120.400 -0.057 0.000 2.694 87 D HA 0.522 5.162 4.640 -0.001 0.000 0.260 87 D C 0.820 177.126 176.300 0.009 0.000 1.250 87 D CA 0.917 54.909 54.000 -0.014 0.000 0.763 87 D CB 0.618 41.428 40.800 0.017 0.000 1.311 87 D HN 1.257 nan 8.370 nan 0.000 0.420 88 G N 0.461 109.269 108.800 0.014 0.000 2.157 88 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.248 88 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.248 88 G C 1.016 175.932 174.900 0.026 0.000 0.979 88 G CA 1.611 46.726 45.100 0.025 0.000 0.650 88 G HN 0.829 nan 8.290 nan 0.000 0.529 89 T N -2.353 112.207 114.554 0.011 0.000 2.788 89 T HA -0.106 4.244 4.350 -0.001 0.000 0.268 89 T C 2.216 176.922 174.700 0.011 0.000 1.044 89 T CA 2.565 64.669 62.100 0.006 0.000 1.139 89 T CB -0.605 68.254 68.868 -0.014 0.000 0.867 89 T HN 0.351 nan 8.240 nan 0.000 0.454 90 T N 1.827 116.387 114.554 0.009 0.000 2.777 90 T HA -0.066 4.284 4.350 -0.001 0.000 0.266 90 T C 2.267 176.977 174.700 0.017 0.000 1.040 90 T CA 1.694 63.800 62.100 0.011 0.000 1.141 90 T CB -0.913 67.960 68.868 0.008 0.000 0.868 90 T HN 0.496 nan 8.240 nan 0.000 0.444 91 T N 2.283 116.850 114.554 0.021 0.000 2.652 91 T HA -0.119 4.231 4.350 -0.001 0.000 0.267 91 T C 2.388 177.106 174.700 0.030 0.000 1.039 91 T CA 1.384 63.499 62.100 0.025 0.000 1.153 91 T CB -0.744 68.140 68.868 0.027 0.000 0.863 91 T HN 0.439 nan 8.240 nan 0.000 0.428 92 A N 1.448 124.292 122.820 0.040 0.000 1.859 92 A HA -0.233 4.086 4.320 -0.001 0.000 0.218 92 A C 2.567 180.176 177.584 0.041 0.000 1.209 92 A CA 2.670 54.739 52.037 0.054 0.000 0.639 92 A CB -1.609 17.438 19.000 0.078 0.000 0.835 92 A HN 0.490 nan 8.150 nan 0.000 0.450 93 T N -0.237 114.335 114.554 0.030 0.000 2.620 93 T HA -0.210 4.140 4.350 -0.001 0.000 0.267 93 T C 1.860 176.572 174.700 0.021 0.000 1.044 93 T CA 1.969 64.082 62.100 0.022 0.000 1.161 93 T CB -0.720 68.156 68.868 0.013 0.000 0.862 93 T HN 0.184 nan 8.240 nan 0.000 0.438 94 V N 1.280 121.205 119.914 0.020 0.000 2.324 94 V HA -0.174 3.946 4.120 -0.001 0.000 0.250 94 V C 2.500 178.605 176.094 0.019 0.000 1.060 94 V CA 1.621 63.931 62.300 0.018 0.000 1.042 94 V CB -0.697 31.136 31.823 0.017 0.000 0.650 94 V HN 0.443 nan 8.190 nan 0.000 0.450 95 L N -0.273 120.964 121.223 0.023 0.000 2.046 95 L HA -0.167 4.173 4.340 -0.001 0.000 0.208 95 L C 2.710 179.594 176.870 0.023 0.000 1.077 95 L CA 1.590 56.444 54.840 0.023 0.000 0.747 95 L CB -0.728 41.347 42.059 0.026 0.000 0.896 95 L HN 0.377 nan 8.230 nan 0.000 0.432 96 A N 0.157 122.994 122.820 0.028 0.000 1.873 96 A HA -0.287 4.033 4.320 -0.001 0.000 0.215 96 A C 2.188 179.785 177.584 0.022 0.000 1.186 96 A CA 1.765 53.818 52.037 0.028 0.000 0.616 96 A CB -0.660 18.360 19.000 0.033 0.000 0.823 96 A HN 0.532 nan 8.150 nan 0.000 0.442 97 Q N -0.040 119.771 119.800 0.019 0.000 2.234 97 Q HA -0.046 4.294 4.340 -0.001 0.000 0.206 97 Q C 1.725 177.733 176.000 0.014 0.000 0.980 97 Q CA 2.250 58.062 55.803 0.016 0.000 0.869 97 Q CB -0.413 28.334 28.738 0.014 0.000 0.912 97 Q HN 0.526 nan 8.270 nan 0.000 0.436 98 A N 0.637 123.466 122.820 0.015 0.000 1.871 98 A HA 0.061 4.381 4.320 -0.001 0.000 0.211 98 A C 2.088 179.680 177.584 0.013 0.000 1.207 98 A CA 0.903 52.947 52.037 0.013 0.000 0.620 98 A CB -0.501 18.506 19.000 0.013 0.000 0.860 98 A HN 0.428 nan 8.150 nan 0.000 0.450 99 I N 0.060 120.638 120.570 0.015 0.000 2.151 99 I HA -0.326 3.844 4.170 -0.001 0.000 0.243 99 I C 2.355 178.481 176.117 0.014 0.000 1.080 99 I CA 1.693 63.001 61.300 0.014 0.000 1.339 99 I CB -0.572 37.438 38.000 0.016 0.000 1.039 99 I HN 0.300 nan 8.210 nan 0.000 0.409 100 I N 0.375 120.954 120.570 0.016 0.000 2.127 100 I HA -0.296 3.873 4.170 -0.001 0.000 0.241 100 I C 2.656 178.780 176.117 0.013 0.000 1.075 100 I CA 1.785 63.094 61.300 0.015 0.000 1.334 100 I CB -0.703 37.307 38.000 0.017 0.000 1.040 100 I HN 0.238 nan 8.210 nan 0.000 0.405 101 T N 0.186 114.747 114.554 0.012 0.000 2.580 101 T HA -0.223 4.127 4.350 -0.001 0.000 0.265 101 T C 1.880 176.586 174.700 0.009 0.000 1.063 101 T CA 1.606 63.712 62.100 0.010 0.000 1.170 101 T CB -0.260 68.613 68.868 0.009 0.000 0.863 101 T HN 0.259 nan 8.240 nan 0.000 0.418 102 E N 0.575 120.781 120.200 0.009 0.000 2.058 102 E HA -0.062 4.288 4.350 -0.001 0.000 0.194 102 E C 2.516 179.121 176.600 0.008 0.000 0.997 102 E CA 1.351 57.755 56.400 0.008 0.000 0.801 102 E CB -1.078 28.627 29.700 0.008 0.000 0.746 102 E HN 0.565 nan 8.360 nan 0.000 0.450 103 G N 1.192 109.998 108.800 0.010 0.000 2.459 103 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.217 103 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.217 103 G C 1.732 176.638 174.900 0.010 0.000 1.183 103 G CA 0.828 45.934 45.100 0.010 0.000 0.776 103 G HN 0.228 nan 8.290 nan 0.000 0.552 104 L N 0.056 121.286 121.223 0.010 0.000 2.127 104 L HA -0.076 4.264 4.340 -0.001 0.000 0.211 104 L C 2.836 179.711 176.870 0.008 0.000 1.089 104 L CA 1.478 56.324 54.840 0.010 0.000 0.757 104 L CB -0.338 41.727 42.059 0.010 0.000 0.899 104 L HN 0.263 nan 8.230 nan 0.000 0.434 105 K N 0.221 120.626 120.400 0.007 0.000 2.148 105 K HA -0.134 4.186 4.320 -0.001 0.000 0.204 105 K C 2.019 178.622 176.600 0.005 0.000 1.050 105 K CA 1.175 57.465 56.287 0.005 0.000 0.942 105 K CB 0.029 32.532 32.500 0.005 0.000 0.724 105 K HN 0.279 nan 8.250 nan 0.000 0.446 106 A N 0.149 122.973 122.820 0.006 0.000 2.072 106 A HA 0.005 4.324 4.320 -0.001 0.000 0.216 106 A C 1.987 179.575 177.584 0.007 0.000 1.156 106 A CA 0.598 52.639 52.037 0.006 0.000 0.701 106 A CB -0.039 18.965 19.000 0.006 0.000 0.816 106 A HN 0.129 nan 8.150 nan 0.000 0.458 107 V N -0.202 119.717 119.914 0.008 0.000 2.515 107 V HA -0.185 3.935 4.120 -0.001 0.000 0.250 107 V C 2.891 178.989 176.094 0.008 0.000 1.058 107 V CA 1.721 64.027 62.300 0.009 0.000 1.064 107 V CB -0.878 30.952 31.823 0.012 0.000 0.675 107 V HN 0.567 nan 8.190 nan 0.000 0.461 108 A N -0.134 122.690 122.820 0.006 0.000 2.119 108 A HA 0.152 4.471 4.320 -0.001 0.000 0.217 108 A C 2.231 179.817 177.584 0.003 0.000 1.153 108 A CA 1.303 53.343 52.037 0.004 0.000 0.692 108 A CB -0.391 18.611 19.000 0.003 0.000 0.799 108 A HN 0.532 nan 8.150 nan 0.000 0.458 109 A N -1.519 121.303 122.820 0.003 0.000 2.206 109 A HA 0.398 4.718 4.320 -0.001 0.000 0.211 109 A C 1.708 179.293 177.584 0.002 0.000 1.158 109 A CA 1.189 53.228 52.037 0.002 0.000 0.761 109 A CB -0.795 18.206 19.000 0.003 0.000 0.801 109 A HN 1.800 nan 8.150 nan 0.000 0.473 110 G N -1.664 107.138 108.800 0.003 0.000 2.130 110 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.216 110 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.216 110 G C 0.099 175.002 174.900 0.004 0.000 0.999 110 G CA 0.277 45.379 45.100 0.003 0.000 0.686 110 G HN 0.376 nan 8.290 nan 0.000 0.515 111 M N 0.223 119.826 119.600 0.005 0.000 2.228 111 M HA 0.293 4.773 4.480 -0.001 0.000 0.326 111 M C 0.835 177.139 176.300 0.007 0.000 1.122 111 M CA -0.504 54.800 55.300 0.006 0.000 1.161 111 M CB 0.400 33.004 32.600 0.006 0.000 1.437 111 M HN 0.197 nan 8.290 nan 0.000 0.465 112 N N 2.068 120.773 118.700 0.007 0.000 2.402 112 N HA 0.180 4.919 4.740 -0.001 0.000 0.252 112 N C -2.251 173.265 175.510 0.011 0.000 1.118 112 N CA -1.823 51.232 53.050 0.009 0.000 0.945 112 N CB 0.758 39.250 38.487 0.008 0.000 1.147 112 N HN 0.187 nan 8.380 nan 0.000 0.495 113 P HA -0.182 nan 4.420 nan 0.000 0.216 113 P C 1.568 178.876 177.300 0.014 0.000 1.153 113 P CA 1.211 64.320 63.100 0.014 0.000 0.858 113 P CB 0.145 31.856 31.700 0.018 0.000 0.789 114 M N -0.771 118.838 119.600 0.014 0.000 2.202 114 M HA -0.144 4.336 4.480 -0.001 0.000 0.262 114 M C 1.250 177.556 176.300 0.011 0.000 1.063 114 M CA 1.661 56.969 55.300 0.013 0.000 1.097 114 M CB -1.476 31.132 32.600 0.013 0.000 1.382 114 M HN -0.041 nan 8.290 nan 0.000 0.413 115 D N -0.165 120.241 120.400 0.010 0.000 2.194 115 D HA -0.011 4.629 4.640 -0.001 0.000 0.204 115 D C 2.225 178.530 176.300 0.008 0.000 0.964 115 D CA 0.669 54.674 54.000 0.008 0.000 0.846 115 D CB -0.013 40.791 40.800 0.007 0.000 0.962 115 D HN 0.313 nan 8.370 nan 0.000 0.490 116 L N 0.811 122.039 121.223 0.009 0.000 2.017 116 L HA -0.200 4.140 4.340 -0.001 0.000 0.208 116 L C 2.519 179.395 176.870 0.009 0.000 1.073 116 L CA 1.238 56.083 54.840 0.009 0.000 0.745 116 L CB -0.342 41.723 42.059 0.010 0.000 0.894 116 L HN 0.015 nan 8.230 nan 0.000 0.432 117 K N 0.304 120.710 120.400 0.010 0.000 2.001 117 K HA -0.222 4.097 4.320 -0.001 0.000 0.214 117 K C 2.278 178.883 176.600 0.008 0.000 1.050 117 K CA 1.527 57.820 56.287 0.011 0.000 0.934 117 K CB -0.086 32.422 32.500 0.013 0.000 0.718 117 K HN 0.149 nan 8.250 nan 0.000 0.443 118 R N -0.236 120.269 120.500 0.008 0.000 2.119 118 R HA -0.152 4.187 4.340 -0.001 0.000 0.246 118 R C 2.484 178.786 176.300 0.005 0.000 1.146 118 R CA 1.587 57.691 56.100 0.006 0.000 0.962 118 R CB -0.806 29.498 30.300 0.006 0.000 0.863 118 R HN 0.495 nan 8.270 nan 0.000 0.442 119 G N 1.489 110.292 108.800 0.005 0.000 2.433 119 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.216 119 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.216 119 G C 1.521 176.423 174.900 0.003 0.000 1.186 119 G CA 0.727 45.830 45.100 0.004 0.000 0.779 119 G HN 0.162 nan 8.290 nan 0.000 0.543 120 I N 1.214 121.787 120.570 0.005 0.000 2.113 120 I HA -0.245 3.925 4.170 -0.001 0.000 0.242 120 I C 2.455 178.573 176.117 0.002 0.000 1.064 120 I CA 1.717 63.019 61.300 0.004 0.000 1.320 120 I CB -0.227 37.778 38.000 0.007 0.000 1.028 120 I HN 0.077 nan 8.210 nan 0.000 0.406 121 D N 0.493 120.895 120.400 0.002 0.000 2.104 121 D HA -0.225 4.415 4.640 -0.001 0.000 0.194 121 D C 2.077 178.374 176.300 -0.004 0.000 0.994 121 D CA 1.359 55.359 54.000 -0.001 0.000 0.830 121 D CB -0.262 40.538 40.800 0.001 0.000 0.959 121 D HN 0.310 nan 8.370 nan 0.000 0.452 122 K N 0.830 121.229 120.400 -0.001 0.000 2.009 122 K HA -0.136 4.183 4.320 -0.001 0.000 0.210 122 K C 2.073 178.671 176.600 -0.003 0.000 1.049 122 K CA 1.539 57.825 56.287 -0.002 0.000 0.929 122 K CB -0.193 32.307 32.500 -0.000 0.000 0.714 122 K HN 0.013 nan 8.250 nan 0.000 0.440 123 A N 0.564 123.383 122.820 -0.002 0.000 1.915 123 A HA -0.203 4.117 4.320 -0.001 0.000 0.220 123 A C 2.296 179.876 177.584 -0.005 0.000 1.198 123 A CA 2.221 54.257 52.037 -0.002 0.000 0.647 123 A CB -0.942 18.058 19.000 0.000 0.000 0.825 123 A HN 0.221 nan 8.150 nan 0.000 0.456 124 V N -0.534 119.376 119.914 -0.008 0.000 2.323 124 V HA -0.193 3.927 4.120 -0.001 0.000 0.244 124 V C 2.707 178.789 176.094 -0.019 0.000 1.041 124 V CA 2.356 64.647 62.300 -0.015 0.000 1.025 124 V CB -1.200 30.611 31.823 -0.020 0.000 0.656 124 V HN 0.642 nan 8.190 nan 0.000 0.451 125 T N 0.510 115.053 114.554 -0.017 0.000 2.849 125 T HA -0.185 4.164 4.350 -0.001 0.000 0.270 125 T C 1.938 176.630 174.700 -0.014 0.000 1.066 125 T CA 1.571 63.660 62.100 -0.018 0.000 1.130 125 T CB -0.342 68.518 68.868 -0.013 0.000 0.864 125 T HN 0.567 nan 8.240 nan 0.000 0.481 126 A N 1.282 124.096 122.820 -0.010 0.000 1.874 126 A HA 0.415 4.735 4.320 -0.001 0.000 0.214 126 A C 2.677 180.257 177.584 -0.007 0.000 1.189 126 A CA 1.295 53.328 52.037 -0.007 0.000 0.615 126 A CB -1.059 17.939 19.000 -0.004 0.000 0.830 126 A HN 0.477 nan 8.150 nan 0.000 0.443 127 A N -0.379 122.436 122.820 -0.008 0.000 1.940 127 A HA -0.027 4.292 4.320 -0.001 0.000 0.219 127 A C 2.189 179.766 177.584 -0.011 0.000 1.176 127 A CA 1.875 53.908 52.037 -0.008 0.000 0.631 127 A CB -0.841 18.155 19.000 -0.008 0.000 0.814 127 A HN 0.370 nan 8.150 nan 0.000 0.446 128 V N -0.169 119.734 119.914 -0.018 0.000 2.358 128 V HA -0.172 3.947 4.120 -0.001 0.000 0.246 128 V C 2.593 178.678 176.094 -0.015 0.000 1.047 128 V CA 2.058 64.344 62.300 -0.023 0.000 1.035 128 V CB -0.673 31.129 31.823 -0.035 0.000 0.658 128 V HN 0.453 nan 8.190 nan 0.000 0.452 129 E N 0.008 120.201 120.200 -0.012 0.000 2.058 129 E HA -0.189 4.160 4.350 -0.001 0.000 0.194 129 E C 2.312 178.910 176.600 -0.004 0.000 0.997 129 E CA 1.045 57.441 56.400 -0.007 0.000 0.801 129 E CB -0.360 29.336 29.700 -0.006 0.000 0.746 129 E HN 0.493 nan 8.360 nan 0.000 0.450 130 E N 0.409 120.607 120.200 -0.003 0.000 2.070 130 E HA -0.159 4.190 4.350 -0.001 0.000 0.197 130 E C 2.388 178.989 176.600 0.002 0.000 1.004 130 E CA 0.655 57.056 56.400 0.001 0.000 0.805 130 E CB -0.397 29.304 29.700 0.002 0.000 0.744 130 E HN 0.285 nan 8.360 nan 0.000 0.451 131 L N 0.618 121.841 121.223 -0.000 0.000 2.012 131 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 131 L C 2.450 179.321 176.870 0.002 0.000 1.073 131 L CA 1.366 56.207 54.840 0.001 0.000 0.748 131 L CB -0.349 41.708 42.059 -0.003 0.000 0.891 131 L HN 0.052 nan 8.230 nan 0.000 0.431 132 K N -0.205 120.194 120.400 -0.001 0.000 2.280 132 K HA -0.107 4.212 4.320 -0.001 0.000 0.202 132 K C 2.080 178.682 176.600 0.003 0.000 1.047 132 K CA 1.076 57.363 56.287 -0.000 0.000 0.942 132 K CB -0.120 32.378 32.500 -0.003 0.000 0.739 132 K HN 0.317 nan 8.250 nan 0.000 0.457 133 A N 0.687 123.509 122.820 0.003 0.000 1.930 133 A HA -0.048 4.272 4.320 -0.001 0.000 0.215 133 A C 1.906 179.494 177.584 0.007 0.000 1.176 133 A CA 0.788 52.828 52.037 0.005 0.000 0.632 133 A CB -0.154 18.848 19.000 0.004 0.000 0.819 133 A HN 0.100 nan 8.150 nan 0.000 0.445 134 L N -0.087 121.141 121.223 0.009 0.000 2.291 134 L HA 0.087 4.427 4.340 -0.001 0.000 0.214 134 L C 1.489 178.366 176.870 0.012 0.000 1.120 134 L CA 0.826 55.673 54.840 0.012 0.000 0.799 134 L CB -0.452 41.616 42.059 0.015 0.000 0.925 134 L HN 0.265 nan 8.230 nan 0.000 0.446 135 S N -0.550 115.156 115.700 0.010 0.000 2.537 135 S HA 0.300 4.770 4.470 -0.001 0.000 0.286 135 S C -0.295 174.312 174.600 0.010 0.000 1.299 135 S CA -0.401 57.805 58.200 0.010 0.000 1.067 135 S CB 0.202 63.407 63.200 0.009 0.000 0.864 135 S HN 0.118 nan 8.310 nan 0.000 0.494 136 V N 3.825 123.746 119.914 0.011 0.000 2.680 136 V HA 0.739 4.858 4.120 -0.001 0.000 0.309 136 V C -2.845 173.255 176.094 0.010 0.000 1.052 136 V CA -2.793 59.513 62.300 0.011 0.000 0.908 136 V CB 1.188 33.017 31.823 0.012 0.000 1.001 136 V HN 0.628 nan 8.190 nan 0.000 0.431 137 P HA 0.202 nan 4.420 nan 0.000 0.268 137 P C -0.584 176.722 177.300 0.009 0.000 1.205 137 P CA -0.042 63.063 63.100 0.009 0.000 0.771 137 P CB 0.492 32.196 31.700 0.007 0.000 0.858 138 C N 3.490 122.795 119.300 0.009 0.000 2.225 138 C HA 0.500 4.959 4.460 -0.001 0.000 0.323 138 C C 1.367 176.362 174.990 0.007 0.000 1.164 138 C CA 0.520 59.543 59.018 0.009 0.000 1.565 138 C CB -1.408 26.338 27.740 0.011 0.000 2.124 138 C HN 0.704 nan 8.230 nan 0.000 0.461 139 S N 2.430 118.133 115.700 0.006 0.000 2.663 139 S HA 0.167 4.636 4.470 -0.001 0.000 0.247 139 S C -0.001 174.601 174.600 0.004 0.000 1.074 139 S CA 0.279 58.482 58.200 0.005 0.000 0.955 139 S CB -0.453 62.750 63.200 0.004 0.000 0.901 139 S HN 0.850 nan 8.310 nan 0.000 0.505 140 D N 1.554 121.957 120.400 0.004 0.000 2.357 140 D HA 0.428 5.068 4.640 -0.001 0.000 0.242 140 D C 0.944 177.245 176.300 0.003 0.000 1.153 140 D CA -0.225 53.777 54.000 0.003 0.000 0.918 140 D CB 0.762 41.564 40.800 0.003 0.000 1.181 140 D HN -0.020 nan 8.370 nan 0.000 0.435 141 S N -0.221 115.480 115.700 0.002 0.000 2.399 141 S HA -0.186 4.283 4.470 -0.001 0.000 0.231 141 S C 1.574 176.175 174.600 0.002 0.000 1.022 141 S CA 1.044 59.245 58.200 0.001 0.000 0.983 141 S CB -0.366 62.835 63.200 0.000 0.000 0.803 141 S HN 0.620 nan 8.310 nan 0.000 0.480 142 K N 1.189 121.590 120.400 0.002 0.000 2.026 142 K HA -0.054 4.265 4.320 -0.001 0.000 0.208 142 K C 2.187 178.789 176.600 0.003 0.000 1.048 142 K CA 1.256 57.544 56.287 0.002 0.000 0.929 142 K CB -0.393 32.108 32.500 0.002 0.000 0.713 142 K HN 0.281 nan 8.250 nan 0.000 0.439 143 A N 1.774 124.596 122.820 0.004 0.000 1.877 143 A HA -0.139 4.180 4.320 -0.001 0.000 0.216 143 A C 2.144 179.731 177.584 0.006 0.000 1.186 143 A CA 1.602 53.642 52.037 0.005 0.000 0.620 143 A CB -0.666 18.337 19.000 0.006 0.000 0.822 143 A HN 0.373 nan 8.150 nan 0.000 0.443 144 I N -0.127 120.446 120.570 0.005 0.000 2.118 144 I HA -0.365 3.804 4.170 -0.001 0.000 0.241 144 I C 2.984 179.104 176.117 0.005 0.000 1.070 144 I CA 1.362 62.666 61.300 0.006 0.000 1.327 144 I CB -0.506 37.496 38.000 0.004 0.000 1.034 144 I HN 0.388 nan 8.210 nan 0.000 0.405 145 A N -0.143 122.680 122.820 0.003 0.000 1.978 145 A HA -0.286 4.034 4.320 -0.001 0.000 0.220 145 A C 2.223 179.808 177.584 0.003 0.000 1.170 145 A CA 1.803 53.842 52.037 0.003 0.000 0.636 145 A CB -0.594 18.407 19.000 0.001 0.000 0.810 145 A HN 0.510 nan 8.150 nan 0.000 0.448 146 Q N -0.951 118.851 119.800 0.003 0.000 2.083 146 Q HA -0.067 4.273 4.340 -0.001 0.000 0.198 146 Q C 2.258 178.261 176.000 0.005 0.000 0.969 146 Q CA 1.573 57.377 55.803 0.002 0.000 0.838 146 Q CB -0.291 28.448 28.738 0.002 0.000 0.900 146 Q HN 0.679 nan 8.270 nan 0.000 0.436 147 V N -0.759 119.160 119.914 0.009 0.000 2.307 147 V HA -0.085 4.035 4.120 -0.001 0.000 0.245 147 V C 1.892 177.994 176.094 0.015 0.000 1.045 147 V CA 2.313 64.621 62.300 0.013 0.000 1.024 147 V CB -1.177 30.656 31.823 0.017 0.000 0.651 147 V HN 0.401 nan 8.190 nan 0.000 0.449 148 G N -0.135 108.673 108.800 0.014 0.000 2.529 148 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.219 148 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.219 148 G C 1.642 176.549 174.900 0.012 0.000 1.177 148 G CA 1.942 47.051 45.100 0.014 0.000 0.773 148 G HN 0.516 nan 8.290 nan 0.000 0.573 149 T N 0.762 115.319 114.554 0.006 0.000 2.720 149 T HA -0.109 4.241 4.350 -0.001 0.000 0.268 149 T C 2.349 177.050 174.700 0.002 0.000 1.037 149 T CA 1.217 63.318 62.100 0.003 0.000 1.144 149 T CB -0.157 68.710 68.868 -0.002 0.000 0.864 149 T HN 0.151 nan 8.240 nan 0.000 0.444 150 I N 0.563 121.134 120.570 0.003 0.000 2.353 150 I HA -0.073 4.097 4.170 -0.001 0.000 0.248 150 I C 2.594 178.715 176.117 0.006 0.000 1.119 150 I CA 0.825 62.125 61.300 0.001 0.000 1.417 150 I CB -0.288 37.713 38.000 0.001 0.000 1.078 150 I HN 0.119 nan 8.210 nan 0.000 0.421 151 S N 0.249 115.957 115.700 0.013 0.000 2.382 151 S HA -0.028 4.442 4.470 -0.001 0.000 0.228 151 S C 1.787 176.397 174.600 0.017 0.000 1.027 151 S CA 0.967 59.178 58.200 0.019 0.000 0.991 151 S CB -0.326 62.892 63.200 0.030 0.000 0.823 151 S HN 0.444 nan 8.310 nan 0.000 0.469 152 A N 1.422 124.251 122.820 0.015 0.000 2.728 152 A HA 0.322 4.642 4.320 -0.001 0.000 0.258 152 A C 0.596 178.184 177.584 0.006 0.000 1.454 152 A CA 0.009 52.054 52.037 0.012 0.000 1.146 152 A CB -1.506 17.501 19.000 0.012 0.000 0.985 152 A HN 0.771 nan 8.150 nan 0.000 0.603 153 N N 0.298 119.001 118.700 0.005 0.000 2.708 153 N HA -0.245 4.495 4.740 -0.001 0.000 0.251 153 N C -0.094 175.413 175.510 -0.005 0.000 1.017 153 N CA 0.493 53.542 53.050 -0.000 0.000 0.742 153 N CB -0.719 37.768 38.487 -0.000 0.000 0.943 153 N HN 0.523 nan 8.380 nan 0.000 0.539 154 S N -0.817 114.880 115.700 -0.006 0.000 3.787 154 S HA -0.175 4.295 4.470 -0.001 0.000 0.321 154 S C -0.635 173.960 174.600 -0.009 0.000 1.119 154 S CA 0.716 58.910 58.200 -0.011 0.000 0.918 154 S CB -0.769 62.420 63.200 -0.018 0.000 0.913 154 S HN 0.635 nan 8.310 nan 0.000 0.506 155 D N 1.300 121.698 120.400 -0.004 0.000 2.485 155 D HA 0.268 4.908 4.640 -0.001 0.000 0.221 155 D C 1.170 177.468 176.300 -0.002 0.000 1.112 155 D CA -0.358 53.640 54.000 -0.003 0.000 0.911 155 D CB 0.502 41.302 40.800 0.000 0.000 1.019 155 D HN 0.432 nan 8.370 nan 0.000 0.516 156 E N 0.851 121.048 120.200 -0.005 0.000 2.219 156 E HA -0.155 4.195 4.350 -0.001 0.000 0.198 156 E C 1.223 177.821 176.600 -0.002 0.000 0.998 156 E CA 1.236 57.634 56.400 -0.004 0.000 0.818 156 E CB 0.359 30.055 29.700 -0.006 0.000 0.741 156 E HN 0.475 nan 8.360 nan 0.000 0.477 157 T N 0.328 114.881 114.554 -0.002 0.000 2.857 157 T HA -0.077 4.272 4.350 -0.001 0.000 0.266 157 T C 2.144 176.844 174.700 0.001 0.000 1.048 157 T CA 0.817 62.916 62.100 -0.001 0.000 1.139 157 T CB -0.112 68.756 68.868 -0.001 0.000 0.874 157 T HN -0.011 nan 8.240 nan 0.000 0.455 158 V N 1.733 121.648 119.914 0.002 0.000 2.307 158 V HA -0.042 4.077 4.120 -0.001 0.000 0.245 158 V C 2.942 179.038 176.094 0.004 0.000 1.045 158 V CA 1.881 64.183 62.300 0.004 0.000 1.024 158 V CB -1.501 30.326 31.823 0.007 0.000 0.651 158 V HN 0.571 nan 8.190 nan 0.000 0.449 159 G N 0.546 109.348 108.800 0.003 0.000 2.476 159 G HA2 -0.391 3.569 3.960 -0.001 0.000 0.218 159 G HA3 -0.391 3.569 3.960 -0.001 0.000 0.218 159 G C 1.584 176.485 174.900 0.002 0.000 1.164 159 G CA 1.464 46.566 45.100 0.003 0.000 0.768 159 G HN 0.557 nan 8.290 nan 0.000 0.560 160 K N -0.282 120.118 120.400 0.000 0.000 2.057 160 K HA 0.022 4.342 4.320 -0.001 0.000 0.207 160 K C 2.332 178.931 176.600 -0.001 0.000 1.049 160 K CA 1.083 57.370 56.287 -0.001 0.000 0.931 160 K CB -0.434 32.066 32.500 -0.001 0.000 0.714 160 K HN 0.227 nan 8.250 nan 0.000 0.440 161 L N 0.999 122.222 121.223 -0.001 0.000 2.056 161 L HA 0.010 4.349 4.340 -0.001 0.000 0.207 161 L C 2.068 178.936 176.870 -0.002 0.000 1.078 161 L CA 1.422 56.262 54.840 -0.001 0.000 0.749 161 L CB -0.304 41.755 42.059 -0.000 0.000 0.901 161 L HN 0.290 nan 8.230 nan 0.000 0.433 162 I N -0.963 119.606 120.570 -0.001 0.000 2.099 162 I HA -0.367 3.802 4.170 -0.001 0.000 0.239 162 I C 2.599 178.714 176.117 -0.004 0.000 1.066 162 I CA 1.372 62.670 61.300 -0.003 0.000 1.324 162 I CB -0.641 37.358 38.000 -0.001 0.000 1.037 162 I HN 0.300 nan 8.210 nan 0.000 0.401 163 A N 0.194 123.013 122.820 -0.002 0.000 1.903 163 A HA -0.311 4.009 4.320 -0.001 0.000 0.219 163 A C 2.257 179.840 177.584 -0.003 0.000 1.191 163 A CA 2.175 54.211 52.037 -0.001 0.000 0.638 163 A CB -0.828 18.172 19.000 -0.000 0.000 0.823 163 A HN 0.486 nan 8.150 nan 0.000 0.451 164 E N -0.731 119.468 120.200 -0.003 0.000 2.058 164 E HA -0.194 4.155 4.350 -0.001 0.000 0.194 164 E C 2.398 178.996 176.600 -0.004 0.000 0.997 164 E CA 1.115 57.513 56.400 -0.003 0.000 0.801 164 E CB -0.282 29.416 29.700 -0.003 0.000 0.746 164 E HN 0.632 nan 8.360 nan 0.000 0.450 165 A N 1.196 124.013 122.820 -0.005 0.000 1.858 165 A HA -0.187 4.133 4.320 -0.001 0.000 0.216 165 A C 2.189 179.768 177.584 -0.008 0.000 1.190 165 A CA 1.450 53.483 52.037 -0.007 0.000 0.617 165 A CB -0.516 18.479 19.000 -0.009 0.000 0.827 165 A HN 0.160 nan 8.150 nan 0.000 0.443 166 M N -0.768 118.827 119.600 -0.008 0.000 2.144 166 M HA -0.215 4.264 4.480 -0.001 0.000 0.260 166 M C 1.801 178.097 176.300 -0.006 0.000 1.067 166 M CA 2.113 57.408 55.300 -0.008 0.000 1.095 166 M CB -0.768 31.828 32.600 -0.007 0.000 1.365 166 M HN 0.503 nan 8.290 nan 0.000 0.406 167 D N 0.194 120.592 120.400 -0.005 0.000 2.178 167 D HA -0.116 4.524 4.640 -0.001 0.000 0.202 167 D C 1.903 178.201 176.300 -0.004 0.000 0.974 167 D CA 1.293 55.291 54.000 -0.004 0.000 0.841 167 D CB 0.267 41.065 40.800 -0.003 0.000 0.953 167 D HN 0.152 nan 8.370 nan 0.000 0.478 168 K N -0.717 119.680 120.400 -0.004 0.000 2.121 168 K HA 0.044 4.364 4.320 -0.001 0.000 0.203 168 K C 1.937 178.534 176.600 -0.004 0.000 1.041 168 K CA 0.841 57.126 56.287 -0.004 0.000 0.969 168 K CB 0.145 32.643 32.500 -0.004 0.000 0.799 168 K HN 0.089 nan 8.250 nan 0.000 0.456 169 V N -1.848 118.063 119.914 -0.005 0.000 3.141 169 V HA 0.219 4.339 4.120 -0.001 0.000 0.265 169 V C 0.983 177.073 176.094 -0.006 0.000 1.126 169 V CA 0.735 63.031 62.300 -0.006 0.000 1.141 169 V CB -1.259 30.559 31.823 -0.007 0.000 0.743 169 V HN 0.424 nan 8.190 nan 0.000 0.492 170 G N 1.006 109.802 108.800 -0.006 0.000 2.527 170 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.227 170 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.227 170 G C 0.289 175.185 174.900 -0.006 0.000 1.291 170 G CA 0.279 45.376 45.100 -0.005 0.000 0.904 170 G HN 0.398 nan 8.290 nan 0.000 0.577 171 K N 0.389 120.785 120.400 -0.006 0.000 2.242 171 K HA 0.187 4.507 4.320 -0.001 0.000 0.200 171 K C 1.593 178.188 176.600 -0.008 0.000 1.050 171 K CA 1.174 57.457 56.287 -0.006 0.000 0.981 171 K CB 0.343 32.840 32.500 -0.004 0.000 0.795 171 K HN 0.485 nan 8.250 nan 0.000 0.477 172 E N 0.955 121.150 120.200 -0.009 0.000 2.423 172 E HA 0.106 4.455 4.350 -0.001 0.000 0.198 172 E C -0.187 176.406 176.600 -0.012 0.000 1.038 172 E CA -0.496 55.898 56.400 -0.011 0.000 1.011 172 E CB 0.983 30.677 29.700 -0.010 0.000 1.118 172 E HN 0.196 nan 8.360 nan 0.000 0.451 173 G N 0.424 109.218 108.800 -0.011 0.000 2.400 173 G HA2 0.429 4.388 3.960 -0.001 0.000 0.333 173 G HA3 0.429 4.388 3.960 -0.001 0.000 0.333 173 G C -0.158 174.733 174.900 -0.015 0.000 1.143 173 G CA -0.471 44.623 45.100 -0.011 0.000 0.914 173 G HN 0.005 nan 8.290 nan 0.000 0.480 174 V N 1.369 121.274 119.914 -0.014 0.000 2.567 174 V HA 0.500 4.620 4.120 -0.001 0.000 0.289 174 V C 0.023 176.106 176.094 -0.019 0.000 1.049 174 V CA -0.501 61.788 62.300 -0.018 0.000 0.969 174 V CB 1.278 33.093 31.823 -0.014 0.000 0.995 174 V HN 0.561 nan 8.190 nan 0.000 0.471 175 I N 3.395 123.948 120.570 -0.028 0.000 2.447 175 I HA 0.530 4.699 4.170 -0.001 0.000 0.287 175 I C 0.017 176.115 176.117 -0.032 0.000 1.023 175 I CA -0.115 61.169 61.300 -0.028 0.000 1.083 175 I CB 2.245 40.225 38.000 -0.033 0.000 1.245 175 I HN 0.805 nan 8.210 nan 0.000 0.434 176 T N 2.922 117.466 114.554 -0.017 0.000 2.908 176 T HA 0.718 5.067 4.350 -0.001 0.000 0.290 176 T C -0.599 174.098 174.700 -0.004 0.000 1.034 176 T CA -0.915 61.179 62.100 -0.010 0.000 1.010 176 T CB 2.259 71.129 68.868 0.002 0.000 1.068 176 T HN 0.362 nan 8.240 nan 0.000 0.481 177 V N 1.318 121.234 119.914 0.003 0.000 2.495 177 V HA 0.847 4.967 4.120 -0.001 0.000 0.298 177 V C -1.019 175.084 176.094 0.015 0.000 1.031 177 V CA -0.614 61.692 62.300 0.009 0.000 0.871 177 V CB 1.179 33.010 31.823 0.012 0.000 0.988 177 V HN 1.193 nan 8.190 nan 0.000 0.432 178 E N 3.106 123.314 120.200 0.012 0.000 2.446 178 E HA 0.507 4.856 4.350 -0.001 0.000 0.276 178 E C -1.698 174.909 176.600 0.011 0.000 0.969 178 E CA -1.109 55.299 56.400 0.013 0.000 0.800 178 E CB 1.323 31.030 29.700 0.012 0.000 1.341 178 E HN 0.541 nan 8.360 nan 0.000 0.460 179 D N 0.885 121.291 120.400 0.011 0.000 2.455 179 D HA 0.229 4.869 4.640 -0.001 0.000 0.241 179 D C 0.204 176.508 176.300 0.006 0.000 1.138 179 D CA 0.506 54.512 54.000 0.009 0.000 0.877 179 D CB 1.002 41.808 40.800 0.010 0.000 1.187 179 D HN 0.561 nan 8.370 nan 0.000 0.451 180 G N 0.185 108.988 108.800 0.005 0.000 2.528 180 G HA2 0.342 4.302 3.960 -0.001 0.000 0.289 180 G HA3 0.342 4.302 3.960 -0.001 0.000 0.289 180 G C 1.095 175.997 174.900 0.003 0.000 1.192 180 G CA -0.251 44.851 45.100 0.003 0.000 0.921 180 G HN 0.421 nan 8.290 nan 0.000 0.512 181 T N -1.275 113.280 114.554 0.001 0.000 2.770 181 T HA 0.197 4.546 4.350 -0.001 0.000 0.258 181 T C 1.562 176.263 174.700 0.001 0.000 1.039 181 T CA 1.027 63.127 62.100 0.001 0.000 1.143 181 T CB -0.389 68.478 68.868 -0.001 0.000 0.866 181 T HN 0.710 nan 8.240 nan 0.000 0.428 182 G N 0.392 109.192 108.800 0.001 0.000 2.773 182 G HA2 0.561 4.520 3.960 -0.001 0.000 0.186 182 G HA3 0.561 4.520 3.960 -0.001 0.000 0.186 182 G C 0.503 175.404 174.900 0.001 0.000 1.411 182 G CA -0.581 44.520 45.100 0.001 0.000 1.054 182 G HN 0.298 nan 8.290 nan 0.000 0.579 183 L N -0.466 120.758 121.223 0.001 0.000 2.463 183 L HA 0.166 4.506 4.340 -0.001 0.000 0.219 183 L C 0.544 177.414 176.870 0.001 0.000 1.088 183 L CA 0.516 55.356 54.840 0.001 0.000 0.849 183 L CB -0.176 41.884 42.059 0.000 0.000 1.012 183 L HN 0.414 nan 8.230 nan 0.000 0.468 184 Q N -0.091 119.709 119.800 0.000 0.000 2.214 184 Q HA 0.266 4.606 4.340 -0.001 0.000 0.251 184 Q C -0.696 175.305 176.000 0.001 0.000 0.936 184 Q CA -0.540 55.263 55.803 0.000 0.000 0.894 184 Q CB 0.728 29.465 28.738 -0.000 0.000 1.252 184 Q HN -0.043 nan 8.270 nan 0.000 0.448 185 D N 1.347 121.747 120.400 0.001 0.000 2.382 185 D HA 0.099 4.738 4.640 -0.001 0.000 0.245 185 D C -0.537 175.763 176.300 0.000 0.000 1.120 185 D CA 0.197 54.198 54.000 0.001 0.000 0.890 185 D CB 0.900 41.701 40.800 0.002 0.000 1.201 185 D HN 0.516 nan 8.370 nan 0.000 0.433 186 E N 1.079 121.279 120.200 0.000 0.000 2.292 186 E HA 0.376 4.725 4.350 -0.001 0.000 0.272 186 E C -1.701 174.898 176.600 -0.001 0.000 0.881 186 E CA -0.837 55.562 56.400 -0.001 0.000 0.754 186 E CB 1.825 31.524 29.700 -0.001 0.000 1.201 186 E HN 0.161 nan 8.360 nan 0.000 0.425 187 L N 4.081 125.303 121.223 -0.002 0.000 2.305 187 L HA 0.497 4.836 4.340 -0.001 0.000 0.284 187 L C -1.381 175.486 176.870 -0.004 0.000 1.013 187 L CA -0.239 54.599 54.840 -0.003 0.000 0.819 187 L CB 1.352 43.409 42.059 -0.003 0.000 1.227 187 L HN 0.418 nan 8.230 nan 0.000 0.417 188 D N 4.002 124.400 120.400 -0.004 0.000 2.192 188 D HA 0.531 5.171 4.640 -0.001 0.000 0.246 188 D C -0.996 175.301 176.300 -0.005 0.000 1.042 188 D CA 0.006 54.003 54.000 -0.005 0.000 0.847 188 D CB 2.498 43.295 40.800 -0.006 0.000 1.186 188 D HN 0.292 nan 8.370 nan 0.000 0.461 189 V N 2.514 122.425 119.914 -0.005 0.000 2.447 189 V HA 0.185 4.305 4.120 -0.001 0.000 0.292 189 V C -0.057 176.034 176.094 -0.005 0.000 1.021 189 V CA -0.852 61.445 62.300 -0.005 0.000 0.850 189 V CB 1.903 33.724 31.823 -0.004 0.000 1.005 189 V HN 0.279 nan 8.190 nan 0.000 0.426 190 V N 4.508 124.420 119.914 -0.004 0.000 2.488 190 V HA 0.326 4.445 4.120 -0.001 0.000 0.277 190 V C 0.381 176.475 176.094 0.000 0.000 1.046 190 V CA -0.461 61.837 62.300 -0.003 0.000 0.986 190 V CB 1.113 32.934 31.823 -0.002 0.000 0.989 190 V HN 0.749 nan 8.190 nan 0.000 0.475 191 E N 3.339 123.538 120.200 -0.001 0.000 2.227 191 E HA 0.545 4.895 4.350 -0.001 0.000 0.282 191 E C 0.753 177.356 176.600 0.006 0.000 1.015 191 E CA 0.805 57.206 56.400 0.002 0.000 0.823 191 E CB 1.659 31.358 29.700 -0.001 0.000 1.081 191 E HN 0.965 nan 8.360 nan 0.000 0.396 192 G N 3.126 111.931 108.800 0.009 0.000 2.539 192 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.256 192 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.256 192 G C -0.142 174.773 174.900 0.026 0.000 1.233 192 G CA 0.017 45.126 45.100 0.015 0.000 0.936 192 G HN 0.512 nan 8.290 nan 0.000 0.571 193 M N 1.283 120.909 119.600 0.042 0.000 2.268 193 M HA 0.626 5.106 4.480 -0.001 0.000 0.344 193 M C -0.275 176.087 176.300 0.103 0.000 1.106 193 M CA -0.469 54.875 55.300 0.072 0.000 1.010 193 M CB 1.395 34.043 32.600 0.081 0.000 1.649 193 M HN 0.874 nan 8.290 nan 0.000 0.443 194 Q N 4.985 124.858 119.800 0.122 0.000 2.320 194 Q HA 0.490 4.830 4.340 -0.001 0.000 0.272 194 Q C -2.219 173.882 176.000 0.167 0.000 1.023 194 Q CA -0.669 55.188 55.803 0.090 0.000 0.855 194 Q CB 1.979 30.710 28.738 -0.011 0.000 1.367 194 Q HN 0.686 nan 8.270 nan 0.000 0.406 195 F N -0.199 119.742 119.950 -0.015 0.000 2.598 195 F HA 0.551 5.077 4.527 -0.001 0.000 0.327 195 F C -0.255 175.535 175.800 -0.017 0.000 1.057 195 F CA -1.318 56.670 58.000 -0.019 0.000 0.957 195 F CB 0.907 39.892 39.000 -0.026 0.000 1.278 195 F HN 0.349 nan 8.300 nan 0.000 0.484 196 D N 2.017 122.478 120.400 0.102 0.000 2.600 196 D HA 0.141 4.780 4.640 -0.001 0.000 0.226 196 D C -0.439 175.853 176.300 -0.014 0.000 1.119 196 D CA 0.376 54.381 54.000 0.008 0.000 1.051 196 D CB -0.027 40.807 40.800 0.058 0.000 1.106 196 D HN 0.238 nan 8.370 nan 0.000 0.491 197 R N 0.265 120.657 120.500 -0.180 0.000 2.510 197 R HA 0.416 4.755 4.340 -0.001 0.000 0.294 197 R C -0.278 175.890 176.300 -0.220 0.000 1.056 197 R CA -0.661 55.352 56.100 -0.145 0.000 0.918 197 R CB 1.482 31.750 30.300 -0.054 0.000 1.187 197 R HN 0.206 nan 8.270 nan 0.000 0.437 198 G N 2.384 111.074 108.800 -0.183 0.000 2.451 198 G HA2 0.349 4.309 3.960 -0.001 0.000 0.303 198 G HA3 0.349 4.309 3.960 -0.001 0.000 0.303 198 G C -0.714 174.072 174.900 -0.191 0.000 1.166 198 G CA -0.487 44.422 45.100 -0.317 0.000 0.884 198 G HN 0.514 nan 8.290 nan 0.000 0.514 199 Y N -0.262 120.041 120.300 0.004 0.000 2.702 199 Y HA 0.211 4.760 4.550 -0.001 0.000 0.336 199 Y C 1.154 177.069 175.900 0.024 0.000 1.235 199 Y CA -0.970 57.155 58.100 0.041 0.000 1.492 199 Y CB 0.310 38.821 38.460 0.085 0.000 1.308 199 Y HN 0.231 nan 8.280 nan 0.000 0.589 200 L N 1.575 122.937 121.223 0.233 0.000 2.270 200 L HA 0.014 4.354 4.340 -0.001 0.000 0.210 200 L C 1.127 178.073 176.870 0.127 0.000 1.104 200 L CA 1.009 55.934 54.840 0.142 0.000 0.804 200 L CB 0.029 42.138 42.059 0.084 0.000 0.937 200 L HN 0.753 nan 8.230 nan 0.000 0.450 201 S N 0.337 116.116 115.700 0.132 0.000 2.528 201 S HA 0.288 4.757 4.470 -0.001 0.000 0.303 201 S C -1.555 172.991 174.600 -0.090 0.000 1.123 201 S CA -1.618 56.605 58.200 0.038 0.000 1.138 201 S CB 0.822 64.047 63.200 0.041 0.000 0.984 201 S HN -0.051 nan 8.310 nan 0.000 0.474 202 P HA -0.058 nan 4.420 nan 0.000 0.223 202 P C 0.183 177.242 177.300 -0.401 0.000 1.151 202 P CA 0.717 63.497 63.100 -0.532 0.000 0.787 202 P CB -0.133 31.374 31.700 -0.321 0.000 0.788 203 Y N -1.217 119.032 120.300 -0.086 0.000 2.550 203 Y HA 0.185 4.734 4.550 -0.001 0.000 0.351 203 Y C 1.482 177.407 175.900 0.042 0.000 1.160 203 Y CA -0.242 57.838 58.100 -0.034 0.000 1.337 203 Y CB -1.452 37.009 38.460 0.002 0.000 1.196 203 Y HN -0.008 nan 8.280 nan 0.000 0.498 204 F N -1.181 118.702 119.950 -0.112 0.000 2.856 204 F HA 0.372 4.898 4.527 -0.001 0.000 0.338 204 F C 0.312 176.029 175.800 -0.139 0.000 1.100 204 F CA -0.408 57.533 58.000 -0.099 0.000 1.150 204 F CB 0.465 39.416 39.000 -0.082 0.000 1.101 204 F HN -0.203 nan 8.300 nan 0.000 0.548 205 I N 4.050 124.384 120.570 -0.394 0.000 2.845 205 I HA -0.152 4.017 4.170 -0.001 0.000 0.290 205 I C 0.847 176.765 176.117 -0.332 0.000 1.202 205 I CA 0.466 61.538 61.300 -0.381 0.000 1.406 205 I CB 0.202 38.048 38.000 -0.256 0.000 1.383 205 I HN 0.361 nan 8.210 nan 0.000 0.549 206 N N 6.884 125.354 118.700 -0.385 0.000 2.295 206 N HA 0.045 4.785 4.740 -0.001 0.000 0.221 206 N C -0.315 175.104 175.510 -0.151 0.000 1.129 206 N CA -0.142 52.746 53.050 -0.270 0.000 0.836 206 N CB 0.572 38.867 38.487 -0.321 0.000 1.040 206 N HN 0.463 nan 8.380 nan 0.000 0.494 207 K N 1.008 121.335 120.400 -0.121 0.000 2.790 207 K HA 0.253 4.572 4.320 -0.001 0.000 0.253 207 K C -2.383 174.188 176.600 -0.049 0.000 1.082 207 K CA -1.015 55.231 56.287 -0.069 0.000 1.067 207 K CB 2.451 34.918 32.500 -0.054 0.000 1.284 207 K HN -0.140 nan 8.250 nan 0.000 0.529 208 P HA -0.083 nan 4.420 nan 0.000 0.230 208 P C 0.672 177.965 177.300 -0.011 0.000 1.158 208 P CA 0.918 64.003 63.100 -0.024 0.000 0.769 208 P CB 0.589 32.277 31.700 -0.020 0.000 0.807 209 E N -0.635 119.557 120.200 -0.013 0.000 2.047 209 E HA -0.121 4.228 4.350 -0.001 0.000 0.191 209 E C 1.866 178.465 176.600 -0.003 0.000 0.987 209 E CA 2.006 58.401 56.400 -0.008 0.000 0.799 209 E CB -1.167 28.527 29.700 -0.010 0.000 0.752 209 E HN 0.336 nan 8.360 nan 0.000 0.449 210 T N -3.388 111.164 114.554 -0.003 0.000 3.065 210 T HA 0.252 4.602 4.350 -0.001 0.000 0.252 210 T C 1.467 176.178 174.700 0.019 0.000 1.099 210 T CA 0.263 62.365 62.100 0.004 0.000 1.063 210 T CB 0.272 69.140 68.868 -0.000 0.000 0.948 210 T HN 0.275 nan 8.240 nan 0.000 0.506 211 G N 1.169 109.983 108.800 0.023 0.000 2.225 211 G HA2 0.145 4.105 3.960 -0.001 0.000 0.264 211 G HA3 0.145 4.105 3.960 -0.001 0.000 0.264 211 G C 0.049 175.019 174.900 0.116 0.000 1.060 211 G CA -0.084 45.049 45.100 0.055 0.000 0.833 211 G HN 1.238 nan 8.290 nan 0.000 0.498 212 A N -1.310 121.552 122.820 0.071 0.000 2.539 212 A HA 0.876 5.196 4.320 -0.001 0.000 0.296 212 A C -0.227 177.368 177.584 0.018 0.000 1.073 212 A CA -0.236 51.865 52.037 0.108 0.000 0.700 212 A CB 1.902 20.936 19.000 0.057 0.000 1.296 212 A HN 1.294 nan 8.150 nan 0.000 0.405 213 V N 1.163 121.103 119.914 0.043 0.000 2.498 213 V HA 0.370 4.489 4.120 -0.001 0.000 0.279 213 V C 0.042 176.116 176.094 -0.034 0.000 1.048 213 V CA 0.008 62.265 62.300 -0.071 0.000 0.967 213 V CB 0.998 32.813 31.823 -0.014 0.000 0.988 213 V HN 0.883 nan 8.190 nan 0.000 0.473 214 E N 4.777 124.934 120.200 -0.071 0.000 3.108 214 E HA 0.349 4.698 4.350 -0.001 0.000 0.228 214 E C -1.080 175.507 176.600 -0.021 0.000 1.176 214 E CA -0.322 56.059 56.400 -0.032 0.000 0.881 214 E CB 1.172 30.851 29.700 -0.035 0.000 1.354 214 E HN 0.582 nan 8.360 nan 0.000 0.400 215 L N 2.198 123.430 121.223 0.015 0.000 2.369 215 L HA 0.187 4.527 4.340 -0.001 0.000 0.279 215 L C 0.546 177.432 176.870 0.025 0.000 1.108 215 L CA -0.212 54.653 54.840 0.042 0.000 0.852 215 L CB 0.158 42.280 42.059 0.105 0.000 1.169 215 L HN 0.334 nan 8.230 nan 0.000 0.452 216 E N 2.918 123.127 120.200 0.015 0.000 2.316 216 E HA 0.011 4.360 4.350 -0.001 0.000 0.275 216 E C 0.459 177.053 176.600 -0.010 0.000 1.029 216 E CA 0.056 56.456 56.400 -0.000 0.000 0.871 216 E CB 0.892 30.589 29.700 -0.003 0.000 1.022 216 E HN 0.490 nan 8.360 nan 0.000 0.418 217 S N 4.519 120.202 115.700 -0.029 0.000 3.280 217 S HA -0.126 4.344 4.470 -0.001 0.000 0.349 217 S C -2.438 172.098 174.600 -0.107 0.000 0.936 217 S CA 0.341 58.500 58.200 -0.068 0.000 1.301 217 S CB -0.881 62.274 63.200 -0.075 0.000 0.907 217 S HN 0.463 nan 8.310 nan 0.000 0.516 218 P HA 0.566 nan 4.420 nan 0.000 0.285 218 P C -0.068 177.164 177.300 -0.113 0.000 1.285 218 P CA -0.890 62.183 63.100 -0.045 0.000 0.854 218 P CB 0.475 32.210 31.700 0.058 0.000 1.180 219 F N -0.068 119.904 119.950 0.037 0.000 2.380 219 F HA 0.392 4.918 4.527 -0.001 0.000 0.325 219 F C 0.820 176.641 175.800 0.036 0.000 1.136 219 F CA 0.212 58.230 58.000 0.030 0.000 1.171 219 F CB 0.354 39.368 39.000 0.024 0.000 1.230 219 F HN 0.019 nan 8.300 nan 0.000 0.554 220 I N 3.386 124.112 120.570 0.259 0.000 2.447 220 I HA 0.259 4.428 4.170 -0.001 0.000 0.287 220 I C -1.378 174.810 176.117 0.118 0.000 1.023 220 I CA -0.771 60.622 61.300 0.155 0.000 1.083 220 I CB 1.849 39.916 38.000 0.112 0.000 1.245 220 I HN 0.243 nan 8.210 nan 0.000 0.434 221 L N 7.995 129.269 121.223 0.085 0.000 2.265 221 L HA 0.520 4.860 4.340 -0.001 0.000 0.289 221 L C -0.999 175.891 176.870 0.033 0.000 1.033 221 L CA -0.089 54.778 54.840 0.045 0.000 0.814 221 L CB 0.755 42.828 42.059 0.024 0.000 1.203 221 L HN 0.459 nan 8.230 nan 0.000 0.423 222 L N 6.104 127.339 121.223 0.019 0.000 2.262 222 L HA 0.676 5.016 4.340 -0.001 0.000 0.288 222 L C 0.058 176.925 176.870 -0.005 0.000 1.035 222 L CA -0.529 54.312 54.840 0.002 0.000 0.820 222 L CB 1.216 43.268 42.059 -0.011 0.000 1.204 222 L HN 0.771 nan 8.230 nan 0.000 0.424 223 A N 1.724 124.542 122.820 -0.004 0.000 2.287 223 A HA 0.281 4.600 4.320 -0.001 0.000 0.317 223 A C 0.384 177.962 177.584 -0.011 0.000 1.220 223 A CA -0.550 51.483 52.037 -0.006 0.000 0.835 223 A CB 1.073 20.072 19.000 -0.001 0.000 1.180 223 A HN 0.778 nan 8.150 nan 0.000 0.500 224 D N 1.964 122.357 120.400 -0.013 0.000 2.117 224 D HA -0.081 4.559 4.640 -0.001 0.000 0.198 224 D C 0.861 177.157 176.300 -0.007 0.000 0.982 224 D CA 1.597 55.588 54.000 -0.015 0.000 0.828 224 D CB 0.036 40.827 40.800 -0.015 0.000 0.967 224 D HN 0.668 nan 8.370 nan 0.000 0.464 225 K N 0.632 121.030 120.400 -0.004 0.000 2.168 225 K HA 0.156 4.476 4.320 -0.001 0.000 0.258 225 K C -0.030 176.572 176.600 0.004 0.000 1.010 225 K CA -0.614 55.674 56.287 0.001 0.000 0.929 225 K CB 0.382 32.882 32.500 -0.000 0.000 0.998 225 K HN -0.075 nan 8.250 nan 0.000 0.479 226 K N 1.473 121.878 120.400 0.008 0.000 2.185 226 K HA 0.291 4.611 4.320 -0.001 0.000 0.271 226 K C -0.534 176.071 176.600 0.008 0.000 1.013 226 K CA -0.477 55.816 56.287 0.011 0.000 0.943 226 K CB 0.557 33.066 32.500 0.016 0.000 0.998 226 K HN 0.518 nan 8.250 nan 0.000 0.468 227 I N 1.348 121.923 120.570 0.008 0.000 2.437 227 I HA 0.047 4.217 4.170 -0.001 0.000 0.298 227 I C 0.733 176.854 176.117 0.005 0.000 0.984 227 I CA -0.144 61.158 61.300 0.004 0.000 1.214 227 I CB 1.914 39.915 38.000 0.002 0.000 1.365 227 I HN 0.873 nan 8.210 nan 0.000 0.469 228 S N 2.806 118.508 115.700 0.003 0.000 2.612 228 S HA 0.246 4.715 4.470 -0.001 0.000 0.278 228 S C -0.290 174.311 174.600 0.001 0.000 1.082 228 S CA -0.217 57.986 58.200 0.004 0.000 1.185 228 S CB 0.211 63.415 63.200 0.005 0.000 1.077 228 S HN 0.745 nan 8.310 nan 0.000 0.585 229 N N 1.226 119.925 118.700 -0.002 0.000 2.321 229 N HA 0.411 5.151 4.740 -0.001 0.000 0.299 229 N C 0.144 175.650 175.510 -0.007 0.000 1.048 229 N CA -0.563 52.485 53.050 -0.004 0.000 0.836 229 N CB 1.314 39.799 38.487 -0.003 0.000 1.269 229 N HN 0.018 nan 8.380 nan 0.000 0.486 230 I N 1.350 121.915 120.570 -0.008 0.000 2.454 230 I HA -0.104 4.066 4.170 -0.001 0.000 0.254 230 I C 2.218 178.327 176.117 -0.013 0.000 1.156 230 I CA 1.213 62.505 61.300 -0.012 0.000 1.433 230 I CB -0.123 37.870 38.000 -0.012 0.000 1.082 230 I HN 0.596 nan 8.210 nan 0.000 0.432 231 R N 0.782 121.275 120.500 -0.010 0.000 2.143 231 R HA -0.291 4.049 4.340 -0.001 0.000 0.239 231 R C 2.083 178.375 176.300 -0.013 0.000 1.126 231 R CA 2.590 58.683 56.100 -0.011 0.000 0.927 231 R CB -0.420 29.875 30.300 -0.008 0.000 0.860 231 R HN 0.434 nan 8.270 nan 0.000 0.433 232 E N -0.491 119.701 120.200 -0.013 0.000 2.267 232 E HA -0.198 4.152 4.350 -0.001 0.000 0.197 232 E C 1.927 178.515 176.600 -0.019 0.000 0.998 232 E CA 1.242 57.633 56.400 -0.015 0.000 0.830 232 E CB 0.016 29.709 29.700 -0.012 0.000 0.751 232 E HN 0.351 nan 8.360 nan 0.000 0.491 233 M N -0.218 119.370 119.600 -0.020 0.000 2.160 233 M HA -0.020 4.460 4.480 -0.001 0.000 0.264 233 M C 2.225 178.507 176.300 -0.029 0.000 1.073 233 M CA 1.038 56.322 55.300 -0.026 0.000 1.142 233 M CB -0.802 31.782 32.600 -0.026 0.000 1.358 233 M HN 0.173 nan 8.290 nan 0.000 0.422 234 L N 0.063 121.271 121.223 -0.025 0.000 2.030 234 L HA -0.283 4.057 4.340 -0.001 0.000 0.222 234 L C -0.382 176.470 176.870 -0.029 0.000 1.082 234 L CA 2.105 56.930 54.840 -0.024 0.000 0.785 234 L CB -2.347 39.701 42.059 -0.019 0.000 0.895 234 L HN 0.182 nan 8.230 nan 0.000 0.439 235 P HA -0.144 nan 4.420 nan 0.000 0.215 235 P C 1.774 179.045 177.300 -0.049 0.000 1.153 235 P CA 1.373 64.452 63.100 -0.035 0.000 0.853 235 P CB 0.040 31.721 31.700 -0.032 0.000 0.788 236 V N -0.723 119.158 119.914 -0.055 0.000 2.300 236 V HA -0.135 3.985 4.120 -0.001 0.000 0.241 236 V C 2.472 178.516 176.094 -0.084 0.000 1.034 236 V CA 1.058 63.310 62.300 -0.079 0.000 1.021 236 V CB -1.480 30.298 31.823 -0.074 0.000 0.662 236 V HN 0.007 nan 8.190 nan 0.000 0.458 237 L N 0.230 121.417 121.223 -0.060 0.000 2.103 237 L HA -0.301 4.039 4.340 -0.001 0.000 0.215 237 L C 2.673 179.517 176.870 -0.045 0.000 1.080 237 L CA 2.209 57.020 54.840 -0.048 0.000 0.764 237 L CB -0.180 41.858 42.059 -0.035 0.000 0.890 237 L HN 0.466 nan 8.230 nan 0.000 0.435 238 E N -0.159 120.014 120.200 -0.044 0.000 2.028 238 E HA -0.199 4.150 4.350 -0.001 0.000 0.191 238 E C 2.046 178.618 176.600 -0.047 0.000 0.988 238 E CA 1.596 57.974 56.400 -0.036 0.000 0.799 238 E CB -0.282 29.399 29.700 -0.031 0.000 0.755 238 E HN 0.464 nan 8.360 nan 0.000 0.447 239 A N 0.184 122.961 122.820 -0.072 0.000 1.940 239 A HA -0.172 4.147 4.320 -0.001 0.000 0.219 239 A C 2.453 179.970 177.584 -0.113 0.000 1.176 239 A CA 1.895 53.875 52.037 -0.095 0.000 0.631 239 A CB -0.761 18.160 19.000 -0.132 0.000 0.814 239 A HN 0.213 nan 8.150 nan 0.000 0.446 240 V N -0.445 119.390 119.914 -0.132 0.000 2.379 240 V HA -0.159 3.960 4.120 -0.001 0.000 0.245 240 V C 2.981 179.083 176.094 0.014 0.000 1.044 240 V CA 1.635 63.881 62.300 -0.089 0.000 1.036 240 V CB -1.362 30.415 31.823 -0.077 0.000 0.664 240 V HN 0.592 nan 8.190 nan 0.000 0.453 241 A N -0.026 122.794 122.820 0.001 0.000 1.940 241 A HA -0.214 4.106 4.320 -0.001 0.000 0.219 241 A C 2.162 179.760 177.584 0.024 0.000 1.176 241 A CA 1.794 53.842 52.037 0.018 0.000 0.631 241 A CB -0.385 18.618 19.000 0.006 0.000 0.814 241 A HN 0.544 nan 8.150 nan 0.000 0.446 242 K N -0.808 119.599 120.400 0.013 0.000 2.437 242 K HA 0.345 4.665 4.320 -0.001 0.000 0.198 242 K C 1.202 177.822 176.600 0.033 0.000 1.024 242 K CA 0.396 56.693 56.287 0.017 0.000 1.148 242 K CB 0.158 32.660 32.500 0.004 0.000 0.860 242 K HN 0.433 nan 8.250 nan 0.000 0.515 243 A N -0.280 122.573 122.820 0.056 0.000 2.259 243 A HA 0.351 4.670 4.320 -0.001 0.000 0.213 243 A C 1.484 179.140 177.584 0.121 0.000 1.209 243 A CA 0.707 52.806 52.037 0.104 0.000 0.910 243 A CB 0.197 19.293 19.000 0.162 0.000 0.946 243 A HN 0.328 nan 8.150 nan 0.000 0.497 244 G N 0.010 108.871 108.800 0.102 0.000 2.454 244 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.225 244 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.225 244 G C 0.443 175.406 174.900 0.105 0.000 1.138 244 G CA 0.415 45.567 45.100 0.087 0.000 0.667 244 G HN 0.562 nan 8.290 nan 0.000 0.512 245 K N 2.323 122.812 120.400 0.148 0.000 2.436 245 K HA 0.394 4.713 4.320 -0.001 0.000 0.275 245 K C -1.982 174.729 176.600 0.184 0.000 0.999 245 K CA -0.814 55.553 56.287 0.133 0.000 0.980 245 K CB 0.589 33.136 32.500 0.078 0.000 0.919 245 K HN 0.232 nan 8.250 nan 0.000 0.484 246 P HA 0.109 nan 4.420 nan 0.000 0.275 246 P C -1.293 176.127 177.300 0.200 0.000 1.270 246 P CA -0.498 62.697 63.100 0.157 0.000 0.791 246 P CB 0.473 32.255 31.700 0.137 0.000 1.089 247 L N 0.168 121.497 121.223 0.176 0.000 2.505 247 L HA 0.524 4.864 4.340 -0.001 0.000 0.266 247 L C -1.622 175.325 176.870 0.129 0.000 0.954 247 L CA -0.836 54.107 54.840 0.171 0.000 0.852 247 L CB 1.574 43.712 42.059 0.132 0.000 1.282 247 L HN 0.101 nan 8.230 nan 0.000 0.403 248 L N 5.739 127.044 121.223 0.137 0.000 2.334 248 L HA 0.677 5.016 4.340 -0.001 0.000 0.277 248 L C -1.076 175.851 176.870 0.095 0.000 1.075 248 L CA 0.221 55.135 54.840 0.124 0.000 0.804 248 L CB 1.242 43.386 42.059 0.141 0.000 1.174 248 L HN 0.621 nan 8.230 nan 0.000 0.438 249 I N 6.124 126.738 120.570 0.074 0.000 2.411 249 I HA 0.358 4.528 4.170 -0.001 0.000 0.284 249 I C -0.740 175.423 176.117 0.077 0.000 1.012 249 I CA -0.046 61.288 61.300 0.056 0.000 1.119 249 I CB 1.382 39.394 38.000 0.019 0.000 1.261 249 I HN 0.471 nan 8.210 nan 0.000 0.448 250 I N 6.531 127.147 120.570 0.077 0.000 2.412 250 I HA 0.568 4.738 4.170 -0.001 0.000 0.279 250 I C 0.429 176.567 176.117 0.034 0.000 1.063 250 I CA -0.027 61.322 61.300 0.081 0.000 1.193 250 I CB 0.815 38.865 38.000 0.083 0.000 1.370 250 I HN 0.604 nan 8.210 nan 0.000 0.479 251 A N 4.173 127.016 122.820 0.038 0.000 2.284 251 A HA 0.441 4.761 4.320 -0.001 0.000 0.317 251 A C 1.111 178.708 177.584 0.022 0.000 1.120 251 A CA -0.474 51.575 52.037 0.020 0.000 0.900 251 A CB 0.887 19.898 19.000 0.018 0.000 1.319 251 A HN 0.700 nan 8.150 nan 0.000 0.494 252 E N -0.800 119.409 120.200 0.014 0.000 2.153 252 E HA -0.132 4.217 4.350 -0.001 0.000 0.194 252 E C -0.355 176.265 176.600 0.034 0.000 0.988 252 E CA 1.385 57.797 56.400 0.020 0.000 0.811 252 E CB 0.183 29.892 29.700 0.016 0.000 0.746 252 E HN 0.597 nan 8.360 nan 0.000 0.466 253 D N -1.748 118.671 120.400 0.031 0.000 2.728 253 D HA 0.165 4.805 4.640 -0.001 0.000 0.249 253 D C -1.837 174.480 176.300 0.028 0.000 1.225 253 D CA -0.450 53.571 54.000 0.035 0.000 0.748 253 D CB 2.089 42.908 40.800 0.033 0.000 1.326 253 D HN -0.129 nan 8.370 nan 0.000 0.426 254 V N 2.580 122.512 119.914 0.029 0.000 2.525 254 V HA 0.482 4.601 4.120 -0.001 0.000 0.299 254 V C 0.152 176.258 176.094 0.021 0.000 1.034 254 V CA -0.497 61.815 62.300 0.020 0.000 0.863 254 V CB 1.649 33.481 31.823 0.015 0.000 0.999 254 V HN 0.630 nan 8.190 nan 0.000 0.423 255 E N 3.416 123.626 120.200 0.016 0.000 2.359 255 E HA 0.823 5.172 4.350 -0.001 0.000 0.223 255 E C 0.532 177.141 176.600 0.014 0.000 0.877 255 E CA -0.379 56.031 56.400 0.018 0.000 0.887 255 E CB 1.126 30.837 29.700 0.019 0.000 1.890 255 E HN 1.117 nan 8.360 nan 0.000 0.419 256 G N 0.944 109.753 108.800 0.015 0.000 2.578 256 G HA2 -0.399 3.560 3.960 -0.001 0.000 0.275 256 G HA3 -0.399 3.560 3.960 -0.001 0.000 0.275 256 G C 0.553 175.461 174.900 0.013 0.000 1.271 256 G CA 0.944 46.052 45.100 0.013 0.000 0.941 256 G HN 0.815 nan 8.290 nan 0.000 0.564 257 E N 0.211 120.416 120.200 0.009 0.000 2.427 257 E HA 0.427 4.776 4.350 -0.001 0.000 0.196 257 E C 2.518 179.120 176.600 0.002 0.000 1.028 257 E CA 1.906 58.310 56.400 0.007 0.000 0.864 257 E CB -0.488 29.215 29.700 0.005 0.000 0.813 257 E HN 1.182 nan 8.360 nan 0.000 0.514 258 A N 1.574 124.394 122.820 0.000 0.000 1.841 258 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 258 A C 2.167 179.745 177.584 -0.011 0.000 1.199 258 A CA 1.574 53.607 52.037 -0.007 0.000 0.621 258 A CB -0.980 18.017 19.000 -0.006 0.000 0.835 258 A HN 0.322 nan 8.150 nan 0.000 0.445 259 L N -0.174 121.046 121.223 -0.004 0.000 2.013 259 L HA -0.161 4.178 4.340 -0.001 0.000 0.212 259 L C 2.736 179.607 176.870 0.001 0.000 1.073 259 L CA 2.464 57.301 54.840 -0.005 0.000 0.753 259 L CB -0.882 41.184 42.059 0.010 0.000 0.890 259 L HN 0.404 nan 8.230 nan 0.000 0.432 260 A N -1.149 121.680 122.820 0.015 0.000 1.865 260 A HA -0.283 4.037 4.320 -0.001 0.000 0.217 260 A C 2.369 179.961 177.584 0.013 0.000 1.191 260 A CA 2.947 55.000 52.037 0.026 0.000 0.623 260 A CB -1.501 17.515 19.000 0.027 0.000 0.826 260 A HN 0.644 nan 8.150 nan 0.000 0.444 261 T N -1.566 112.988 114.554 0.000 0.000 2.821 261 T HA -0.032 4.318 4.350 -0.001 0.000 0.267 261 T C 1.822 176.510 174.700 -0.018 0.000 1.046 261 T CA 1.306 63.402 62.100 -0.007 0.000 1.139 261 T CB -0.594 68.269 68.868 -0.009 0.000 0.871 261 T HN 0.275 nan 8.240 nan 0.000 0.454 262 L N 0.873 122.075 121.223 -0.036 0.000 2.079 262 L HA -0.109 4.231 4.340 -0.001 0.000 0.210 262 L C 2.899 179.720 176.870 -0.082 0.000 1.081 262 L CA 0.958 55.753 54.840 -0.075 0.000 0.752 262 L CB -0.738 41.255 42.059 -0.110 0.000 0.896 262 L HN 0.197 nan 8.230 nan 0.000 0.433 263 V N -0.571 119.321 119.914 -0.036 0.000 2.233 263 V HA -0.272 3.848 4.120 -0.001 0.000 0.247 263 V C 2.353 178.466 176.094 0.032 0.000 1.050 263 V CA 1.935 64.248 62.300 0.020 0.000 1.010 263 V CB -0.601 31.271 31.823 0.081 0.000 0.637 263 V HN 0.277 nan 8.190 nan 0.000 0.444 264 V N 0.498 120.422 119.914 0.017 0.000 2.867 264 V HA -0.184 3.936 4.120 -0.001 0.000 0.260 264 V C 2.107 178.208 176.094 0.013 0.000 1.099 264 V CA 1.702 64.009 62.300 0.012 0.000 1.122 264 V CB -1.116 30.708 31.823 0.001 0.000 0.708 264 V HN 0.562 nan 8.190 nan 0.000 0.490 265 N N 0.425 119.127 118.700 0.004 0.000 2.354 265 N HA -0.074 4.665 4.740 -0.001 0.000 0.179 265 N C 1.825 177.351 175.510 0.028 0.000 1.021 265 N CA 1.735 54.788 53.050 0.005 0.000 0.887 265 N CB 0.093 38.570 38.487 -0.015 0.000 0.974 265 N HN 0.501 nan 8.380 nan 0.000 0.437 266 T N 0.868 115.453 114.554 0.051 0.000 3.039 266 T HA 0.143 4.492 4.350 -0.001 0.000 0.250 266 T C 1.822 176.598 174.700 0.126 0.000 1.052 266 T CA -0.095 62.084 62.100 0.132 0.000 1.125 266 T CB 0.315 69.352 68.868 0.281 0.000 0.908 266 T HN 0.097 nan 8.240 nan 0.000 0.473 267 M N 0.914 120.574 119.600 0.100 0.000 2.260 267 M HA -0.112 4.367 4.480 -0.001 0.000 0.261 267 M C 2.213 178.535 176.300 0.036 0.000 1.066 267 M CA 1.549 56.886 55.300 0.063 0.000 1.082 267 M CB -0.021 32.600 32.600 0.036 0.000 1.388 267 M HN 0.037 nan 8.290 nan 0.000 0.419 268 R N -0.714 119.806 120.500 0.034 0.000 2.146 268 R HA 0.110 4.450 4.340 -0.001 0.000 0.206 268 R C 0.999 177.316 176.300 0.028 0.000 1.049 268 R CA 1.375 57.489 56.100 0.022 0.000 1.029 268 R CB 0.332 30.641 30.300 0.015 0.000 0.949 268 R HN 0.473 nan 8.270 nan 0.000 0.471 269 G N -0.163 108.661 108.800 0.040 0.000 2.141 269 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.164 269 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.164 269 G C 0.418 175.340 174.900 0.038 0.000 1.009 269 G CA 0.135 45.260 45.100 0.042 0.000 0.677 269 G HN 0.126 nan 8.290 nan 0.000 0.508 270 I N -0.048 120.543 120.570 0.035 0.000 2.235 270 I HA 0.133 4.303 4.170 -0.001 0.000 0.241 270 I C 1.567 177.704 176.117 0.033 0.000 1.085 270 I CA 2.109 63.425 61.300 0.026 0.000 1.378 270 I CB -1.185 36.825 38.000 0.016 0.000 1.076 270 I HN 0.542 nan 8.210 nan 0.000 0.415 271 V N -1.827 118.111 119.914 0.040 0.000 3.114 271 V HA 0.516 4.635 4.120 -0.001 0.000 0.308 271 V C -0.494 175.651 176.094 0.084 0.000 1.168 271 V CA -1.198 61.132 62.300 0.051 0.000 1.015 271 V CB 2.549 34.387 31.823 0.025 0.000 1.050 271 V HN 0.057 nan 8.190 nan 0.000 0.433 272 K N 1.849 122.320 120.400 0.118 0.000 2.334 272 K HA 0.734 5.054 4.320 -0.001 0.000 0.265 272 K C -1.108 175.601 176.600 0.182 0.000 1.039 272 K CA -0.464 55.954 56.287 0.217 0.000 0.920 272 K CB 1.583 34.214 32.500 0.217 0.000 1.160 272 K HN 0.953 nan 8.250 nan 0.000 0.451 273 V N 0.259 120.163 119.914 -0.017 0.000 2.623 273 V HA 0.804 4.924 4.120 -0.001 0.000 0.304 273 V C -0.611 175.008 176.094 -0.792 0.000 1.054 273 V CA -1.085 61.074 62.300 -0.236 0.000 0.882 273 V CB 1.499 33.210 31.823 -0.187 0.000 1.002 273 V HN 0.666 nan 8.190 nan 0.000 0.424 274 A N 3.462 126.121 122.820 -0.268 0.000 2.320 274 A HA 1.047 5.367 4.320 -0.001 0.000 0.334 274 A C 0.125 177.676 177.584 -0.055 0.000 1.147 274 A CA -0.278 51.684 52.037 -0.124 0.000 0.820 274 A CB 1.697 20.899 19.000 0.337 0.000 1.218 274 A HN 2.410 nan 8.150 nan 0.000 0.482 275 A N 0.874 123.699 122.820 0.008 0.000 2.375 275 A HA 0.669 4.989 4.320 -0.001 0.000 0.295 275 A C -0.729 176.919 177.584 0.108 0.000 1.066 275 A CA -0.187 51.874 52.037 0.040 0.000 0.722 275 A CB 0.975 19.971 19.000 -0.007 0.000 1.206 275 A HN 2.148 nan 8.150 nan 0.000 0.435 276 V N -0.090 119.893 119.914 0.116 0.000 2.888 276 V HA 0.577 4.696 4.120 -0.001 0.000 0.309 276 V C -0.229 175.950 176.094 0.142 0.000 1.114 276 V CA -1.240 61.139 62.300 0.131 0.000 0.940 276 V CB 1.337 33.242 31.823 0.138 0.000 1.021 276 V HN 0.860 nan 8.190 nan 0.000 0.426 277 K N 1.787 122.263 120.400 0.127 0.000 2.344 277 K HA 0.541 4.861 4.320 -0.001 0.000 0.260 277 K C 0.551 177.244 176.600 0.154 0.000 0.988 277 K CA 0.449 56.807 56.287 0.117 0.000 0.909 277 K CB 0.597 33.156 32.500 0.099 0.000 0.968 277 K HN 1.129 nan 8.250 nan 0.000 0.505 278 A N 3.006 125.875 122.820 0.081 0.000 2.388 278 A HA 0.259 4.579 4.320 -0.001 0.000 0.257 278 A C -2.169 175.419 177.584 0.006 0.000 1.095 278 A CA -1.350 50.693 52.037 0.010 0.000 0.791 278 A CB -0.141 18.841 19.000 -0.030 0.000 1.029 278 A HN 0.405 nan 8.150 nan 0.000 0.489 279 P HA 0.406 nan 4.420 nan 0.000 0.271 279 P C 0.596 177.784 177.300 -0.188 0.000 1.226 279 P CA 1.488 64.531 63.100 -0.095 0.000 0.765 279 P CB 0.578 32.072 31.700 -0.344 0.000 0.835 280 G N 2.862 111.523 108.800 -0.232 0.000 2.548 280 G HA2 0.105 4.065 3.960 -0.001 0.000 0.208 280 G HA3 0.105 4.065 3.960 -0.001 0.000 0.208 280 G C -1.343 173.303 174.900 -0.422 0.000 1.308 280 G CA -0.528 44.184 45.100 -0.647 0.000 0.924 280 G HN 0.542 nan 8.290 nan 0.000 0.540 281 F N -2.112 117.853 119.950 0.024 0.000 2.635 281 F HA 0.720 5.247 4.527 -0.001 0.000 0.314 281 F C 0.876 176.690 175.800 0.024 0.000 1.119 281 F CA 0.038 58.051 58.000 0.023 0.000 1.000 281 F CB 0.943 39.959 39.000 0.028 0.000 1.278 281 F HN 2.401 nan 8.300 nan 0.000 0.446 282 G N 1.920 110.839 108.800 0.198 0.000 2.547 282 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.271 282 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.271 282 G C 0.208 175.146 174.900 0.063 0.000 1.209 282 G CA 0.692 45.869 45.100 0.129 0.000 0.959 282 G HN 0.794 nan 8.290 nan 0.000 0.563 283 D N 0.118 120.555 120.400 0.061 0.000 2.348 283 D HA 0.046 4.686 4.640 -0.001 0.000 0.216 283 D C 2.370 178.665 176.300 -0.008 0.000 0.970 283 D CA 0.748 54.763 54.000 0.024 0.000 0.889 283 D CB -0.056 40.764 40.800 0.033 0.000 0.912 283 D HN 0.414 nan 8.370 nan 0.000 0.524 284 R N 0.186 120.675 120.500 -0.018 0.000 2.090 284 R HA -0.008 4.332 4.340 -0.001 0.000 0.228 284 R C 2.193 178.405 176.300 -0.147 0.000 1.110 284 R CA 0.627 56.670 56.100 -0.095 0.000 0.973 284 R CB 0.138 30.346 30.300 -0.154 0.000 0.869 284 R HN 0.064 nan 8.270 nan 0.000 0.440 285 R N 1.233 121.648 120.500 -0.142 0.000 2.082 285 R HA -0.183 4.156 4.340 -0.001 0.000 0.234 285 R C 1.721 177.953 176.300 -0.114 0.000 1.136 285 R CA 2.104 58.118 56.100 -0.144 0.000 0.935 285 R CB -0.099 30.148 30.300 -0.089 0.000 0.842 285 R HN 0.117 nan 8.270 nan 0.000 0.430 286 K N 0.115 120.470 120.400 -0.075 0.000 2.097 286 K HA -0.081 4.239 4.320 -0.001 0.000 0.206 286 K C 2.210 178.767 176.600 -0.071 0.000 1.049 286 K CA 1.300 57.550 56.287 -0.063 0.000 0.933 286 K CB -0.203 32.274 32.500 -0.038 0.000 0.717 286 K HN 0.286 nan 8.250 nan 0.000 0.442 287 A N 1.679 124.455 122.820 -0.073 0.000 1.883 287 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 287 A C 2.196 179.722 177.584 -0.096 0.000 1.186 287 A CA 1.568 53.559 52.037 -0.075 0.000 0.624 287 A CB -0.436 18.520 19.000 -0.074 0.000 0.822 287 A HN 0.180 nan 8.150 nan 0.000 0.444 288 M N -1.544 117.980 119.600 -0.127 0.000 2.200 288 M HA -0.063 4.417 4.480 -0.001 0.000 0.265 288 M C 2.176 178.369 176.300 -0.179 0.000 1.066 288 M CA 1.109 56.314 55.300 -0.159 0.000 1.127 288 M CB -0.394 32.086 32.600 -0.201 0.000 1.379 288 M HN 0.455 nan 8.290 nan 0.000 0.420 289 L N 0.745 121.867 121.223 -0.169 0.000 2.131 289 L HA -0.223 4.117 4.340 -0.001 0.000 0.210 289 L C 2.378 179.179 176.870 -0.115 0.000 1.092 289 L CA 1.848 56.591 54.840 -0.162 0.000 0.759 289 L CB -0.708 41.278 42.059 -0.123 0.000 0.903 289 L HN 0.271 nan 8.230 nan 0.000 0.435 290 Q N -0.309 119.437 119.800 -0.091 0.000 2.119 290 Q HA -0.206 4.134 4.340 -0.001 0.000 0.201 290 Q C 1.732 177.693 176.000 -0.065 0.000 0.972 290 Q CA 1.985 57.749 55.803 -0.065 0.000 0.847 290 Q CB -0.323 28.383 28.738 -0.053 0.000 0.903 290 Q HN 0.529 nan 8.270 nan 0.000 0.433 291 D N -0.119 120.233 120.400 -0.080 0.000 2.133 291 D HA -0.192 4.447 4.640 -0.001 0.000 0.192 291 D C 1.752 178.013 176.300 -0.065 0.000 1.001 291 D CA 1.695 55.652 54.000 -0.072 0.000 0.844 291 D CB -0.245 40.502 40.800 -0.087 0.000 0.944 291 D HN 0.396 nan 8.370 nan 0.000 0.447 292 I N 0.794 121.309 120.570 -0.092 0.000 2.226 292 I HA -0.259 3.910 4.170 -0.001 0.000 0.245 292 I C 2.456 178.553 176.117 -0.034 0.000 1.100 292 I CA 1.058 62.314 61.300 -0.073 0.000 1.374 292 I CB -0.309 37.615 38.000 -0.126 0.000 1.057 292 I HN -0.051 nan 8.210 nan 0.000 0.413 293 A N 0.692 123.490 122.820 -0.037 0.000 1.873 293 A HA -0.258 4.061 4.320 -0.001 0.000 0.218 293 A C 2.421 180.000 177.584 -0.008 0.000 1.193 293 A CA 2.787 54.814 52.037 -0.016 0.000 0.629 293 A CB -1.325 17.663 19.000 -0.020 0.000 0.826 293 A HN 0.418 nan 8.150 nan 0.000 0.447 294 T N -0.024 114.520 114.554 -0.016 0.000 2.652 294 T HA -0.179 4.170 4.350 -0.001 0.000 0.267 294 T C 1.764 176.460 174.700 -0.006 0.000 1.039 294 T CA 1.633 63.726 62.100 -0.012 0.000 1.153 294 T CB -0.424 68.433 68.868 -0.018 0.000 0.863 294 T HN 0.294 nan 8.240 nan 0.000 0.428 295 L N 1.710 122.928 121.223 -0.007 0.000 2.362 295 L HA 0.024 4.364 4.340 -0.001 0.000 0.219 295 L C 2.073 178.947 176.870 0.007 0.000 1.134 295 L CA 1.604 56.444 54.840 -0.000 0.000 0.807 295 L CB -0.625 41.436 42.059 0.002 0.000 0.927 295 L HN 0.469 nan 8.230 nan 0.000 0.447 296 T N -5.374 109.186 114.554 0.010 0.000 3.043 296 T HA 0.383 4.732 4.350 -0.001 0.000 0.272 296 T C 1.181 175.895 174.700 0.023 0.000 0.990 296 T CA 0.129 62.240 62.100 0.018 0.000 0.897 296 T CB 0.103 68.988 68.868 0.029 0.000 1.111 296 T HN 0.390 nan 8.240 nan 0.000 0.529 297 G N 0.734 109.545 108.800 0.018 0.000 2.272 297 G HA2 0.096 4.056 3.960 -0.001 0.000 0.280 297 G HA3 0.096 4.056 3.960 -0.001 0.000 0.280 297 G C 0.288 175.209 174.900 0.035 0.000 1.067 297 G CA -0.167 44.946 45.100 0.022 0.000 0.902 297 G HN 1.059 nan 8.290 nan 0.000 0.500 298 G N -1.512 107.306 108.800 0.031 0.000 2.568 298 G HA2 0.776 4.735 3.960 -0.001 0.000 0.313 298 G HA3 0.776 4.735 3.960 -0.001 0.000 0.313 298 G C -0.410 174.501 174.900 0.018 0.000 1.227 298 G CA 0.034 45.156 45.100 0.037 0.000 0.979 298 G HN 0.575 nan 8.290 nan 0.000 0.486 299 T N 0.613 115.175 114.554 0.015 0.000 2.779 299 T HA 0.378 4.728 4.350 -0.001 0.000 0.280 299 T C 0.213 174.911 174.700 -0.002 0.000 0.987 299 T CA -0.273 61.829 62.100 0.003 0.000 0.966 299 T CB 1.573 70.442 68.868 0.002 0.000 0.933 299 T HN 0.342 nan 8.240 nan 0.000 0.442 300 V N 4.726 124.635 119.914 -0.010 0.000 2.450 300 V HA 0.083 4.203 4.120 -0.001 0.000 0.281 300 V C 0.477 176.564 176.094 -0.012 0.000 1.019 300 V CA -0.206 62.085 62.300 -0.015 0.000 1.062 300 V CB -0.370 31.439 31.823 -0.023 0.000 0.979 300 V HN 0.732 nan 8.190 nan 0.000 0.477 301 I N 5.003 125.566 120.570 -0.011 0.000 2.293 301 I HA 0.083 4.253 4.170 -0.001 0.000 0.299 301 I C 0.836 176.946 176.117 -0.011 0.000 1.153 301 I CA 1.061 62.354 61.300 -0.011 0.000 1.302 301 I CB 0.730 38.723 38.000 -0.011 0.000 1.460 301 I HN 0.587 nan 8.210 nan 0.000 0.552 302 S N 4.631 120.324 115.700 -0.011 0.000 2.404 302 S HA 0.167 4.637 4.470 -0.001 0.000 0.309 302 S C 1.303 175.898 174.600 -0.008 0.000 1.076 302 S CA -0.541 57.652 58.200 -0.011 0.000 1.095 302 S CB 0.367 63.559 63.200 -0.012 0.000 0.972 302 S HN 0.689 nan 8.310 nan 0.000 0.484 303 E N 3.173 123.369 120.200 -0.007 0.000 2.267 303 E HA -0.177 4.173 4.350 -0.001 0.000 0.197 303 E C 1.272 177.869 176.600 -0.004 0.000 0.998 303 E CA 1.155 57.552 56.400 -0.005 0.000 0.830 303 E CB 0.197 29.894 29.700 -0.004 0.000 0.751 303 E HN 0.780 nan 8.360 nan 0.000 0.491 304 E N 0.255 120.452 120.200 -0.004 0.000 2.015 304 E HA -0.168 4.182 4.350 -0.001 0.000 0.191 304 E C 1.624 178.222 176.600 -0.004 0.000 0.991 304 E CA 1.250 57.648 56.400 -0.004 0.000 0.802 304 E CB -0.275 29.422 29.700 -0.004 0.000 0.759 304 E HN 0.397 nan 8.360 nan 0.000 0.447 305 I N -1.299 119.267 120.570 -0.005 0.000 3.525 305 I HA 0.364 4.533 4.170 -0.001 0.000 0.311 305 I C 0.413 176.526 176.117 -0.005 0.000 1.329 305 I CA -0.173 61.124 61.300 -0.005 0.000 1.382 305 I CB -0.385 37.611 38.000 -0.007 0.000 1.328 305 I HN 0.045 nan 8.210 nan 0.000 0.493 306 G N 3.052 111.849 108.800 -0.005 0.000 2.374 306 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.289 306 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.289 306 G C -0.377 174.520 174.900 -0.006 0.000 1.004 306 G CA 0.067 45.164 45.100 -0.005 0.000 1.292 306 G HN 0.583 nan 8.290 nan 0.000 0.502 307 M N -0.082 119.514 119.600 -0.006 0.000 2.378 307 M HA 0.331 4.811 4.480 -0.001 0.000 0.289 307 M C -0.382 175.913 176.300 -0.008 0.000 1.136 307 M CA -0.604 54.691 55.300 -0.008 0.000 0.917 307 M CB 2.431 35.026 32.600 -0.009 0.000 1.669 307 M HN 0.311 nan 8.290 nan 0.000 0.461 308 E N 1.713 121.908 120.200 -0.009 0.000 2.191 308 E HA 0.216 4.565 4.350 -0.001 0.000 0.278 308 E C 0.308 176.901 176.600 -0.012 0.000 0.972 308 E CA -0.539 55.855 56.400 -0.010 0.000 0.804 308 E CB 2.481 32.175 29.700 -0.010 0.000 1.110 308 E HN 0.504 nan 8.360 nan 0.000 0.394 309 L N 3.466 124.682 121.223 -0.012 0.000 2.079 309 L HA -0.217 4.122 4.340 -0.001 0.000 0.210 309 L C 1.792 178.650 176.870 -0.019 0.000 1.081 309 L CA 1.932 56.763 54.840 -0.015 0.000 0.752 309 L CB -0.245 41.806 42.059 -0.013 0.000 0.896 309 L HN 0.606 nan 8.230 nan 0.000 0.433 310 E N -0.018 120.172 120.200 -0.017 0.000 2.110 310 E HA -0.272 4.078 4.350 -0.001 0.000 0.193 310 E C 1.577 178.164 176.600 -0.022 0.000 0.988 310 E CA 1.474 57.862 56.400 -0.020 0.000 0.804 310 E CB -0.298 29.392 29.700 -0.016 0.000 0.745 310 E HN 0.639 nan 8.360 nan 0.000 0.458 311 K N 0.878 121.266 120.400 -0.020 0.000 2.476 311 K HA 0.336 4.655 4.320 -0.001 0.000 0.196 311 K C 0.309 176.894 176.600 -0.024 0.000 1.025 311 K CA -0.017 56.258 56.287 -0.020 0.000 1.138 311 K CB 0.517 33.007 32.500 -0.016 0.000 0.860 311 K HN -0.081 nan 8.250 nan 0.000 0.515 312 A N 1.620 124.423 122.820 -0.028 0.000 2.401 312 A HA 0.328 4.647 4.320 -0.001 0.000 0.259 312 A C 0.265 177.820 177.584 -0.048 0.000 1.103 312 A CA -0.343 51.674 52.037 -0.034 0.000 0.789 312 A CB 0.361 19.341 19.000 -0.033 0.000 1.035 312 A HN 0.504 nan 8.150 nan 0.000 0.491 313 T N -0.095 114.428 114.554 -0.052 0.000 2.870 313 T HA 0.507 4.856 4.350 -0.001 0.000 0.277 313 T C 1.244 175.879 174.700 -0.108 0.000 1.000 313 T CA -0.738 61.318 62.100 -0.073 0.000 0.982 313 T CB 0.421 69.257 68.868 -0.053 0.000 1.249 313 T HN 0.335 nan 8.240 nan 0.000 0.589 314 L N 0.173 121.304 121.223 -0.153 0.000 2.081 314 L HA -0.157 4.183 4.340 -0.001 0.000 0.212 314 L C 2.907 179.718 176.870 -0.098 0.000 1.080 314 L CA 1.996 56.690 54.840 -0.243 0.000 0.754 314 L CB -0.676 41.233 42.059 -0.250 0.000 0.893 314 L HN 0.889 nan 8.230 nan 0.000 0.433 315 E N 0.819 120.995 120.200 -0.040 0.000 2.082 315 E HA -0.302 4.048 4.350 -0.001 0.000 0.215 315 E C 1.560 178.170 176.600 0.016 0.000 1.048 315 E CA 2.321 58.722 56.400 0.003 0.000 0.869 315 E CB -0.100 29.596 29.700 -0.005 0.000 0.773 315 E HN 0.468 nan 8.360 nan 0.000 0.466 316 D N -0.106 120.291 120.400 -0.004 0.000 2.348 316 D HA -0.047 4.593 4.640 -0.001 0.000 0.216 316 D C 0.321 176.637 176.300 0.027 0.000 0.970 316 D CA 0.308 54.312 54.000 0.006 0.000 0.889 316 D CB -0.057 40.739 40.800 -0.008 0.000 0.912 316 D HN 0.269 nan 8.370 nan 0.000 0.524 317 L N 1.191 122.437 121.223 0.038 0.000 2.426 317 L HA 0.242 4.582 4.340 -0.001 0.000 0.271 317 L C 1.376 178.352 176.870 0.177 0.000 1.169 317 L CA -0.452 54.450 54.840 0.104 0.000 0.836 317 L CB 0.948 43.064 42.059 0.094 0.000 1.112 317 L HN -0.099 nan 8.230 nan 0.000 0.465 318 G N 2.244 111.134 108.800 0.149 0.000 2.562 318 G HA2 0.442 4.402 3.960 -0.001 0.000 0.275 318 G HA3 0.442 4.402 3.960 -0.001 0.000 0.275 318 G C -0.807 174.174 174.900 0.135 0.000 1.196 318 G CA -0.307 44.864 45.100 0.118 0.000 0.908 318 G HN 0.631 nan 8.290 nan 0.000 0.524 319 Q N -1.313 118.515 119.800 0.046 0.000 2.421 319 Q HA 0.616 4.955 4.340 -0.001 0.000 0.280 319 Q C -0.777 175.201 176.000 -0.037 0.000 1.085 319 Q CA -0.792 54.982 55.803 -0.049 0.000 0.807 319 Q CB 2.608 31.263 28.738 -0.138 0.000 1.405 319 Q HN 0.823 nan 8.270 nan 0.000 0.419 320 A N 0.885 123.671 122.820 -0.057 0.000 2.527 320 A HA 0.425 4.744 4.320 -0.001 0.000 0.293 320 A C -0.193 177.364 177.584 -0.045 0.000 1.117 320 A CA -0.582 51.438 52.037 -0.029 0.000 0.723 320 A CB 1.673 20.676 19.000 0.005 0.000 1.313 320 A HN 0.781 nan 8.150 nan 0.000 0.411 321 K N -0.559 119.824 120.400 -0.028 0.000 2.103 321 K HA 0.056 4.375 4.320 -0.001 0.000 0.204 321 K C 0.600 177.187 176.600 -0.022 0.000 1.052 321 K CA 1.279 57.549 56.287 -0.029 0.000 0.945 321 K CB 0.053 32.542 32.500 -0.019 0.000 0.722 321 K HN 0.601 nan 8.250 nan 0.000 0.443 322 R N -1.109 119.385 120.500 -0.009 0.000 2.709 322 R HA 0.275 4.615 4.340 -0.001 0.000 0.270 322 R C -2.058 174.250 176.300 0.014 0.000 1.038 322 R CA -0.694 55.406 56.100 -0.000 0.000 0.872 322 R CB 2.099 32.397 30.300 -0.003 0.000 1.259 322 R HN -0.118 nan 8.270 nan 0.000 0.473 323 V N 2.208 122.135 119.914 0.022 0.000 2.686 323 V HA 0.521 4.641 4.120 -0.001 0.000 0.306 323 V C -0.928 175.179 176.094 0.022 0.000 1.065 323 V CA -0.815 61.505 62.300 0.033 0.000 0.894 323 V CB 2.082 33.943 31.823 0.063 0.000 1.004 323 V HN 0.442 nan 8.190 nan 0.000 0.424 324 V N 6.113 126.031 119.914 0.008 0.000 2.376 324 V HA 0.566 4.686 4.120 -0.001 0.000 0.287 324 V C -0.587 175.495 176.094 -0.020 0.000 1.015 324 V CA -0.237 62.060 62.300 -0.005 0.000 0.834 324 V CB 1.433 33.246 31.823 -0.016 0.000 1.001 324 V HN 0.737 nan 8.190 nan 0.000 0.428 325 I N 5.581 126.159 120.570 0.014 0.000 2.447 325 I HA 0.536 4.706 4.170 -0.001 0.000 0.287 325 I C -0.040 176.113 176.117 0.060 0.000 1.023 325 I CA -0.347 60.962 61.300 0.015 0.000 1.083 325 I CB 1.841 39.904 38.000 0.105 0.000 1.245 325 I HN 0.754 nan 8.210 nan 0.000 0.434 326 N N 4.633 123.282 118.700 -0.086 0.000 2.989 326 N HA 0.350 5.090 4.740 -0.001 0.000 0.338 326 N C 0.589 175.700 175.510 -0.665 0.000 1.369 326 N CA -0.992 51.964 53.050 -0.158 0.000 0.794 326 N CB 0.486 38.923 38.487 -0.084 0.000 1.359 326 N HN 0.467 nan 8.380 nan 0.000 0.609 327 K N -1.280 118.722 120.400 -0.662 0.000 2.360 327 K HA -0.093 4.227 4.320 -0.001 0.000 0.201 327 K C -0.357 175.990 176.600 -0.423 0.000 1.046 327 K CA 1.450 57.293 56.287 -0.740 0.000 0.945 327 K CB -0.105 32.213 32.500 -0.303 0.000 0.750 327 K HN 0.539 nan 8.250 nan 0.000 0.464 328 D N -0.207 120.014 120.400 -0.299 0.000 2.461 328 D HA 0.016 4.655 4.640 -0.001 0.000 0.266 328 D C 0.061 176.246 176.300 -0.192 0.000 1.085 328 D CA 0.617 54.501 54.000 -0.194 0.000 0.887 328 D CB 1.083 41.809 40.800 -0.125 0.000 1.309 328 D HN 0.288 nan 8.370 nan 0.000 0.498 329 T N -0.966 113.454 114.554 -0.223 0.000 2.912 329 T HA 0.577 4.927 4.350 -0.001 0.000 0.299 329 T C -0.366 174.140 174.700 -0.323 0.000 1.052 329 T CA -0.623 61.321 62.100 -0.261 0.000 0.996 329 T CB 2.440 71.197 68.868 -0.186 0.000 1.070 329 T HN -0.321 nan 8.240 nan 0.000 0.465 330 T N 2.482 116.707 114.554 -0.548 0.000 2.859 330 T HA 0.673 5.022 4.350 -0.001 0.000 0.281 330 T C -0.467 173.970 174.700 -0.439 0.000 1.005 330 T CA -0.545 61.232 62.100 -0.537 0.000 1.025 330 T CB 1.378 69.766 68.868 -0.801 0.000 0.977 330 T HN 0.800 nan 8.240 nan 0.000 0.458 331 T N 3.151 117.597 114.554 -0.180 0.000 2.881 331 T HA 0.472 4.821 4.350 -0.001 0.000 0.291 331 T C -0.154 174.554 174.700 0.014 0.000 0.990 331 T CA -0.498 61.564 62.100 -0.062 0.000 0.976 331 T CB 0.590 69.428 68.868 -0.050 0.000 0.970 331 T HN 0.430 nan 8.240 nan 0.000 0.438 332 I N 3.877 124.490 120.570 0.073 0.000 2.312 332 I HA 0.358 4.528 4.170 -0.001 0.000 0.291 332 I C -0.115 176.029 176.117 0.044 0.000 1.031 332 I CA -0.546 60.799 61.300 0.074 0.000 1.293 332 I CB 0.766 38.832 38.000 0.110 0.000 1.403 332 I HN 0.504 nan 8.210 nan 0.000 0.484 333 I N 6.448 127.034 120.570 0.027 0.000 2.297 333 I HA 0.130 4.300 4.170 -0.001 0.000 0.291 333 I C -0.176 175.948 176.117 0.010 0.000 1.033 333 I CA -0.156 61.152 61.300 0.014 0.000 1.253 333 I CB 0.436 38.439 38.000 0.006 0.000 1.396 333 I HN 0.587 nan 8.210 nan 0.000 0.476 334 D N 5.248 125.654 120.400 0.010 0.000 3.763 334 D HA -0.129 4.511 4.640 -0.001 0.000 0.232 334 D C 0.094 176.394 176.300 0.001 0.000 1.108 334 D CA 0.907 54.909 54.000 0.004 0.000 1.117 334 D CB -0.036 40.763 40.800 -0.002 0.000 0.846 334 D HN 0.754 nan 8.370 nan 0.000 0.405 335 G N 1.299 110.102 108.800 0.006 0.000 2.476 335 G HA2 0.443 4.402 3.960 -0.001 0.000 0.286 335 G HA3 0.443 4.402 3.960 -0.001 0.000 0.286 335 G C 1.493 176.391 174.900 -0.003 0.000 1.177 335 G CA -0.249 44.853 45.100 0.003 0.000 0.870 335 G HN 0.339 nan 8.290 nan 0.000 0.528 336 V N 2.078 121.987 119.914 -0.008 0.000 2.233 336 V HA -0.113 4.007 4.120 -0.001 0.000 0.252 336 V C 2.175 178.268 176.094 -0.003 0.000 1.063 336 V CA 2.376 64.671 62.300 -0.009 0.000 1.032 336 V CB -1.431 30.387 31.823 -0.008 0.000 0.645 336 V HN 1.772 nan 8.190 nan 0.000 0.446 337 G N 1.358 110.159 108.800 0.002 0.000 2.261 337 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.220 337 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.220 337 G C -0.387 174.513 174.900 0.000 0.000 0.572 337 G CA 0.277 45.377 45.100 0.001 0.000 1.011 337 G HN 0.673 nan 8.290 nan 0.000 0.328 338 E N 1.372 121.573 120.200 0.001 0.000 2.757 338 E HA 0.154 4.503 4.350 -0.001 0.000 0.238 338 E C 1.315 177.914 176.600 -0.001 0.000 1.057 338 E CA 0.458 56.859 56.400 0.001 0.000 0.952 338 E CB 0.632 30.333 29.700 0.002 0.000 0.934 338 E HN 0.643 nan 8.360 nan 0.000 0.518 339 E N 3.898 124.098 120.200 -0.001 0.000 2.086 339 E HA -0.318 4.031 4.350 -0.001 0.000 0.205 339 E C 1.785 178.383 176.600 -0.003 0.000 1.027 339 E CA 2.150 58.548 56.400 -0.002 0.000 0.830 339 E CB -0.260 29.438 29.700 -0.002 0.000 0.751 339 E HN 0.596 nan 8.360 nan 0.000 0.456 340 A N 0.256 123.075 122.820 -0.002 0.000 1.933 340 A HA -0.043 4.277 4.320 -0.001 0.000 0.218 340 A C 2.365 179.947 177.584 -0.004 0.000 1.175 340 A CA 2.222 54.257 52.037 -0.003 0.000 0.628 340 A CB -0.821 18.177 19.000 -0.002 0.000 0.814 340 A HN 0.371 nan 8.150 nan 0.000 0.444 341 A N -0.467 122.351 122.820 -0.004 0.000 2.066 341 A HA 0.106 4.425 4.320 -0.001 0.000 0.218 341 A C 2.003 179.582 177.584 -0.007 0.000 1.157 341 A CA 1.085 53.119 52.037 -0.005 0.000 0.670 341 A CB -0.483 18.515 19.000 -0.004 0.000 0.804 341 A HN 0.508 nan 8.150 nan 0.000 0.453 342 I N -0.804 119.762 120.570 -0.006 0.000 2.141 342 I HA -0.280 3.890 4.170 -0.001 0.000 0.236 342 I C 2.622 178.733 176.117 -0.009 0.000 1.071 342 I CA 1.516 62.811 61.300 -0.008 0.000 1.345 342 I CB -0.496 37.500 38.000 -0.006 0.000 1.066 342 I HN 0.314 nan 8.210 nan 0.000 0.406 343 Q N 0.701 120.497 119.800 -0.008 0.000 2.291 343 Q HA -0.087 4.253 4.340 -0.001 0.000 0.205 343 Q C 2.217 178.212 176.000 -0.009 0.000 0.970 343 Q CA 1.346 57.144 55.803 -0.008 0.000 0.876 343 Q CB -0.310 28.424 28.738 -0.006 0.000 0.935 343 Q HN 0.642 nan 8.270 nan 0.000 0.455 344 G N 0.646 109.441 108.800 -0.008 0.000 2.404 344 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.214 344 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.214 344 G C 1.434 176.327 174.900 -0.011 0.000 1.189 344 G CA 0.111 45.206 45.100 -0.009 0.000 0.789 344 G HN 0.103 nan 8.290 nan 0.000 0.533 345 R N 0.264 120.757 120.500 -0.013 0.000 2.193 345 R HA 0.012 4.352 4.340 -0.001 0.000 0.229 345 R C 2.435 178.724 176.300 -0.019 0.000 1.110 345 R CA 0.738 56.828 56.100 -0.017 0.000 0.988 345 R CB -0.279 30.009 30.300 -0.019 0.000 0.871 345 R HN 0.346 nan 8.270 nan 0.000 0.458 346 V N 0.151 120.055 119.914 -0.016 0.000 2.379 346 V HA -0.087 4.032 4.120 -0.001 0.000 0.243 346 V C 2.352 178.436 176.094 -0.016 0.000 1.035 346 V CA 1.598 63.887 62.300 -0.017 0.000 1.035 346 V CB -0.498 31.317 31.823 -0.014 0.000 0.673 346 V HN 0.344 nan 8.190 nan 0.000 0.457 347 A N -0.830 121.982 122.820 -0.013 0.000 2.121 347 A HA -0.238 4.081 4.320 -0.001 0.000 0.218 347 A C 2.182 179.758 177.584 -0.013 0.000 1.154 347 A CA 1.779 53.809 52.037 -0.012 0.000 0.679 347 A CB -0.388 18.607 19.000 -0.009 0.000 0.795 347 A HN 0.604 nan 8.150 nan 0.000 0.458 348 Q N -0.339 119.453 119.800 -0.015 0.000 2.123 348 Q HA -0.006 4.334 4.340 -0.001 0.000 0.196 348 Q C 1.849 177.837 176.000 -0.020 0.000 0.958 348 Q CA 1.084 56.878 55.803 -0.016 0.000 0.841 348 Q CB -0.118 28.610 28.738 -0.016 0.000 0.915 348 Q HN 0.677 nan 8.270 nan 0.000 0.455 349 I N 0.494 121.050 120.570 -0.024 0.000 2.546 349 I HA -0.195 3.974 4.170 -0.001 0.000 0.255 349 I C 2.668 178.768 176.117 -0.028 0.000 1.163 349 I CA 0.613 61.895 61.300 -0.030 0.000 1.457 349 I CB -0.284 37.694 38.000 -0.036 0.000 1.092 349 I HN 0.177 nan 8.210 nan 0.000 0.434 350 R N 0.840 121.326 120.500 -0.022 0.000 2.120 350 R HA -0.213 4.126 4.340 -0.001 0.000 0.234 350 R C 2.269 178.559 176.300 -0.016 0.000 1.123 350 R CA 1.399 57.488 56.100 -0.018 0.000 0.975 350 R CB -0.111 30.180 30.300 -0.014 0.000 0.866 350 R HN 0.407 nan 8.270 nan 0.000 0.446 351 Q N 0.067 119.857 119.800 -0.015 0.000 2.408 351 Q HA -0.079 4.261 4.340 -0.001 0.000 0.205 351 Q C 1.258 177.250 176.000 -0.015 0.000 0.919 351 Q CA 0.752 56.548 55.803 -0.012 0.000 0.932 351 Q CB 0.368 29.100 28.738 -0.010 0.000 1.058 351 Q HN 0.447 nan 8.270 nan 0.000 0.517 352 Q N 0.128 119.916 119.800 -0.020 0.000 2.230 352 Q HA -0.019 4.321 4.340 -0.001 0.000 0.202 352 Q C 1.932 177.916 176.000 -0.027 0.000 0.963 352 Q CA 1.120 56.908 55.803 -0.024 0.000 0.866 352 Q CB 0.118 28.836 28.738 -0.032 0.000 0.931 352 Q HN 0.462 nan 8.270 nan 0.000 0.452 353 I N 0.060 120.614 120.570 -0.027 0.000 2.500 353 I HA -0.159 4.011 4.170 -0.001 0.000 0.252 353 I C 2.094 178.203 176.117 -0.013 0.000 1.142 353 I CA 0.565 61.850 61.300 -0.025 0.000 1.451 353 I CB -0.201 37.784 38.000 -0.025 0.000 1.093 353 I HN 0.070 nan 8.210 nan 0.000 0.430 354 E N 1.864 122.058 120.200 -0.010 0.000 2.058 354 E HA -0.221 4.129 4.350 -0.001 0.000 0.194 354 E C 1.497 178.097 176.600 -0.001 0.000 0.997 354 E CA 1.520 57.918 56.400 -0.004 0.000 0.801 354 E CB -0.166 29.532 29.700 -0.004 0.000 0.746 354 E HN 0.682 nan 8.360 nan 0.000 0.450 355 E N 0.171 120.369 120.200 -0.004 0.000 2.370 355 E HA 0.355 4.705 4.350 -0.001 0.000 0.194 355 E C -0.260 176.339 176.600 -0.001 0.000 1.057 355 E CA -0.235 56.165 56.400 -0.001 0.000 1.011 355 E CB 0.350 30.049 29.700 -0.001 0.000 1.132 355 E HN -0.045 nan 8.360 nan 0.000 0.450 356 A N 1.665 124.483 122.820 -0.004 0.000 2.395 356 A HA 0.156 4.476 4.320 -0.001 0.000 0.286 356 A C 1.139 178.729 177.584 0.009 0.000 1.193 356 A CA -0.330 51.705 52.037 -0.005 0.000 0.852 356 A CB -0.014 18.976 19.000 -0.017 0.000 1.118 356 A HN 0.315 nan 8.150 nan 0.000 0.524 357 T N 0.066 114.630 114.554 0.016 0.000 3.361 357 T HA 0.274 4.624 4.350 -0.001 0.000 0.251 357 T C 0.713 175.434 174.700 0.035 0.000 1.131 357 T CA 0.495 62.609 62.100 0.024 0.000 1.001 357 T CB -0.997 67.886 68.868 0.024 0.000 1.003 357 T HN 1.061 nan 8.240 nan 0.000 0.558 358 S N -0.528 115.196 115.700 0.040 0.000 3.127 358 S HA 0.375 4.845 4.470 -0.001 0.000 0.314 358 S C -0.476 174.158 174.600 0.057 0.000 1.238 358 S CA -0.690 57.544 58.200 0.056 0.000 1.074 358 S CB 0.643 63.895 63.200 0.085 0.000 1.417 358 S HN 0.016 nan 8.310 nan 0.000 0.597 359 D N -0.701 119.749 120.400 0.082 0.000 2.431 359 D HA 0.173 4.813 4.640 -0.001 0.000 0.227 359 D C 1.346 177.712 176.300 0.110 0.000 1.030 359 D CA 0.501 54.550 54.000 0.082 0.000 0.897 359 D CB 0.010 40.860 40.800 0.083 0.000 1.058 359 D HN 0.470 nan 8.370 nan 0.000 0.500 360 Y N 2.427 122.741 120.300 0.023 0.000 2.184 360 Y HA -0.073 4.477 4.550 -0.001 0.000 0.290 360 Y C 1.292 177.207 175.900 0.025 0.000 1.129 360 Y CA 1.316 59.433 58.100 0.028 0.000 1.144 360 Y CB -0.052 38.427 38.460 0.031 0.000 0.995 360 Y HN -0.210 nan 8.280 nan 0.000 0.513 361 D N 0.136 120.435 120.400 -0.169 0.000 2.371 361 D HA -0.048 4.591 4.640 -0.001 0.000 0.234 361 D C 1.641 177.854 176.300 -0.146 0.000 1.049 361 D CA 0.526 54.388 54.000 -0.229 0.000 0.907 361 D CB 0.020 40.777 40.800 -0.071 0.000 0.891 361 D HN 0.476 nan 8.370 nan 0.000 0.531 362 R N 0.095 120.531 120.500 -0.107 0.000 2.164 362 R HA 0.045 4.385 4.340 -0.001 0.000 0.198 362 R C 1.794 178.051 176.300 -0.071 0.000 1.028 362 R CA 0.110 56.173 56.100 -0.061 0.000 1.083 362 R CB 0.568 30.860 30.300 -0.013 0.000 1.026 362 R HN -0.004 nan 8.270 nan 0.000 0.514 363 E N 1.399 121.556 120.200 -0.072 0.000 2.005 363 E HA -0.261 4.089 4.350 -0.001 0.000 0.198 363 E C 1.769 178.317 176.600 -0.087 0.000 1.010 363 E CA 2.157 58.529 56.400 -0.047 0.000 0.825 363 E CB -0.057 29.651 29.700 0.013 0.000 0.769 363 E HN 0.253 nan 8.360 nan 0.000 0.456 364 K N 0.852 121.148 120.400 -0.174 0.000 2.160 364 K HA -0.178 4.142 4.320 -0.001 0.000 0.206 364 K C 2.044 178.566 176.600 -0.131 0.000 1.047 364 K CA 1.292 57.480 56.287 -0.165 0.000 0.930 364 K CB -0.203 32.129 32.500 -0.280 0.000 0.720 364 K HN 0.024 nan 8.250 nan 0.000 0.450 365 L N 2.294 123.436 121.223 -0.136 0.000 2.005 365 L HA -0.172 4.167 4.340 -0.001 0.000 0.207 365 L C 2.908 179.738 176.870 -0.066 0.000 1.072 365 L CA 2.207 56.989 54.840 -0.097 0.000 0.744 365 L CB -1.447 40.558 42.059 -0.090 0.000 0.895 365 L HN 0.591 nan 8.230 nan 0.000 0.433 366 Q N -0.573 119.193 119.800 -0.055 0.000 2.436 366 Q HA -0.174 4.165 4.340 -0.001 0.000 0.209 366 Q C 1.476 177.456 176.000 -0.033 0.000 0.965 366 Q CA 0.998 56.778 55.803 -0.038 0.000 0.910 366 Q CB -0.123 28.598 28.738 -0.029 0.000 0.980 366 Q HN 0.547 nan 8.270 nan 0.000 0.491 367 E N 1.238 121.416 120.200 -0.038 0.000 2.028 367 E HA -0.103 4.247 4.350 -0.001 0.000 0.191 367 E C 2.139 178.722 176.600 -0.028 0.000 0.988 367 E CA 0.827 57.211 56.400 -0.027 0.000 0.799 367 E CB 0.055 29.739 29.700 -0.026 0.000 0.755 367 E HN 0.327 nan 8.360 nan 0.000 0.447 368 R N 0.501 120.974 120.500 -0.044 0.000 2.096 368 R HA -0.142 4.198 4.340 -0.001 0.000 0.235 368 R C 2.657 178.936 176.300 -0.035 0.000 1.127 368 R CA 1.437 57.510 56.100 -0.046 0.000 0.968 368 R CB -0.469 29.792 30.300 -0.065 0.000 0.861 368 R HN 0.214 nan 8.270 nan 0.000 0.440 369 V N -1.752 118.142 119.914 -0.033 0.000 2.407 369 V HA -0.140 3.980 4.120 -0.001 0.000 0.248 369 V C 2.119 178.202 176.094 -0.018 0.000 1.055 369 V CA 1.884 64.169 62.300 -0.026 0.000 1.049 369 V CB -0.820 30.988 31.823 -0.025 0.000 0.662 369 V HN 0.274 nan 8.190 nan 0.000 0.455 370 A N 0.479 123.290 122.820 -0.016 0.000 1.930 370 A HA -0.109 4.210 4.320 -0.001 0.000 0.217 370 A C 2.294 179.876 177.584 -0.003 0.000 1.175 370 A CA 1.864 53.895 52.037 -0.009 0.000 0.627 370 A CB -0.542 18.453 19.000 -0.009 0.000 0.815 370 A HN 0.624 nan 8.150 nan 0.000 0.443 371 K N -0.583 119.816 120.400 -0.002 0.000 2.211 371 K HA 0.069 4.389 4.320 -0.001 0.000 0.203 371 K C 1.467 178.070 176.600 0.005 0.000 1.050 371 K CA 1.038 57.330 56.287 0.009 0.000 0.945 371 K CB -0.183 32.325 32.500 0.013 0.000 0.732 371 K HN 0.447 nan 8.250 nan 0.000 0.451 372 L N -0.781 120.438 121.223 -0.006 0.000 2.513 372 L HA 0.109 4.449 4.340 -0.001 0.000 0.222 372 L C 1.771 178.637 176.870 -0.006 0.000 1.096 372 L CA 0.056 54.891 54.840 -0.008 0.000 0.857 372 L CB 0.154 42.203 42.059 -0.017 0.000 1.026 372 L HN 0.130 nan 8.230 nan 0.000 0.469 373 A N -0.288 122.528 122.820 -0.006 0.000 2.284 373 A HA 0.531 4.850 4.320 -0.001 0.000 0.219 373 A C 1.462 179.044 177.584 -0.003 0.000 2.353 373 A CA 0.630 52.664 52.037 -0.006 0.000 1.164 373 A CB -1.093 17.902 19.000 -0.008 0.000 1.293 373 A HN 0.202 nan 8.150 nan 0.000 0.586 374 G N -0.893 107.904 108.800 -0.004 0.000 3.022 374 G HA2 0.456 4.415 3.960 -0.001 0.000 0.157 374 G HA3 0.456 4.415 3.960 -0.001 0.000 0.157 374 G C 0.445 175.344 174.900 -0.001 0.000 1.691 374 G CA 0.322 45.420 45.100 -0.003 0.000 1.079 374 G HN 1.165 nan 8.290 nan 0.000 0.549 375 G N -2.402 106.397 108.800 -0.002 0.000 2.818 375 G HA2 0.519 4.479 3.960 -0.001 0.000 0.286 375 G HA3 0.519 4.479 3.960 -0.001 0.000 0.286 375 G C -1.785 173.115 174.900 -0.001 0.000 1.364 375 G CA -0.367 44.733 45.100 0.000 0.000 0.938 375 G HN 0.644 nan 8.290 nan 0.000 0.490 376 V N 0.266 120.180 119.914 0.001 0.000 2.448 376 V HA 0.736 4.856 4.120 -0.001 0.000 0.295 376 V C 0.295 176.388 176.094 -0.002 0.000 1.025 376 V CA -0.570 61.730 62.300 0.001 0.000 0.859 376 V CB 1.043 32.870 31.823 0.006 0.000 0.988 376 V HN 1.136 nan 8.190 nan 0.000 0.431 377 A N 4.454 127.271 122.820 -0.005 0.000 2.355 377 A HA 0.940 5.260 4.320 -0.001 0.000 0.324 377 A C -1.035 176.546 177.584 -0.005 0.000 1.117 377 A CA -0.617 51.416 52.037 -0.006 0.000 0.785 377 A CB 1.912 20.907 19.000 -0.008 0.000 1.254 377 A HN 0.662 nan 8.150 nan 0.000 0.453 378 V N 2.735 122.647 119.914 -0.004 0.000 2.638 378 V HA 0.411 4.531 4.120 -0.001 0.000 0.306 378 V C -0.601 175.491 176.094 -0.003 0.000 1.052 378 V CA -0.211 62.088 62.300 -0.003 0.000 0.885 378 V CB 1.680 33.502 31.823 -0.001 0.000 0.999 378 V HN 0.792 nan 8.190 nan 0.000 0.424 379 I N 4.334 124.903 120.570 -0.002 0.000 2.377 379 I HA 0.451 4.621 4.170 -0.001 0.000 0.293 379 I C -0.083 176.035 176.117 0.002 0.000 0.987 379 I CA -0.543 60.757 61.300 -0.001 0.000 1.185 379 I CB 1.621 39.621 38.000 -0.001 0.000 1.341 379 I HN 0.491 nan 8.210 nan 0.000 0.455 380 K N 5.842 126.243 120.400 0.002 0.000 2.339 380 K HA 0.470 4.790 4.320 -0.001 0.000 0.264 380 K C -1.054 175.549 176.600 0.004 0.000 0.986 380 K CA -0.645 55.644 56.287 0.003 0.000 0.866 380 K CB 1.913 34.414 32.500 0.002 0.000 1.103 380 K HN 0.287 nan 8.250 nan 0.000 0.441 381 V N 2.192 122.110 119.914 0.006 0.000 2.530 381 V HA 0.297 4.416 4.120 -0.001 0.000 0.282 381 V C 0.840 176.938 176.094 0.006 0.000 1.048 381 V CA -0.749 61.555 62.300 0.007 0.000 0.997 381 V CB 1.150 32.979 31.823 0.010 0.000 0.987 381 V HN 0.881 nan 8.190 nan 0.000 0.477 382 G N 2.724 111.526 108.800 0.004 0.000 2.389 382 G HA2 0.743 4.703 3.960 -0.001 0.000 0.317 382 G HA3 0.743 4.703 3.960 -0.001 0.000 0.317 382 G C -0.554 174.348 174.900 0.004 0.000 1.137 382 G CA -0.046 45.056 45.100 0.004 0.000 0.870 382 G HN 1.294 nan 8.290 nan 0.000 0.496 383 A N 0.277 123.099 122.820 0.004 0.000 2.566 383 A HA 0.746 5.065 4.320 -0.001 0.000 0.297 383 A C 0.675 178.261 177.584 0.003 0.000 1.059 383 A CA 0.301 52.340 52.037 0.003 0.000 0.691 383 A CB 0.989 19.992 19.000 0.005 0.000 1.282 383 A HN 1.736 nan 8.150 nan 0.000 0.401 384 A N 0.917 123.738 122.820 0.002 0.000 1.873 384 A HA 0.313 4.633 4.320 -0.001 0.000 0.215 384 A C 1.469 179.055 177.584 0.002 0.000 1.186 384 A CA 2.499 54.537 52.037 0.002 0.000 0.616 384 A CB -0.784 18.216 19.000 0.001 0.000 0.823 384 A HN 1.762 nan 8.150 nan 0.000 0.442 385 T N -4.368 110.188 114.554 0.002 0.000 2.844 385 T HA 0.520 4.870 4.350 -0.001 0.000 0.274 385 T C 0.584 175.287 174.700 0.005 0.000 0.991 385 T CA -0.043 62.059 62.100 0.003 0.000 0.983 385 T CB 1.614 70.483 68.868 0.002 0.000 1.310 385 T HN 0.213 nan 8.240 nan 0.000 0.596 386 E N -0.458 119.745 120.200 0.005 0.000 2.307 386 E HA 0.031 4.381 4.350 -0.001 0.000 0.195 386 E C 2.153 178.757 176.600 0.008 0.000 0.975 386 E CA 0.405 56.809 56.400 0.008 0.000 0.878 386 E CB 0.129 29.835 29.700 0.010 0.000 0.845 386 E HN 0.555 nan 8.360 nan 0.000 0.488 387 V N -0.287 119.629 119.914 0.004 0.000 2.594 387 V HA -0.171 3.948 4.120 -0.001 0.000 0.253 387 V C 2.051 178.146 176.094 0.002 0.000 1.069 387 V CA 1.828 64.129 62.300 0.002 0.000 1.082 387 V CB -0.493 31.329 31.823 -0.003 0.000 0.680 387 V HN 0.165 nan 8.190 nan 0.000 0.469 388 E N -0.294 119.908 120.200 0.003 0.000 2.102 388 E HA -0.128 4.222 4.350 -0.001 0.000 0.190 388 E C 2.094 178.698 176.600 0.006 0.000 0.971 388 E CA 0.988 57.390 56.400 0.003 0.000 0.821 388 E CB -0.057 29.645 29.700 0.002 0.000 0.777 388 E HN 0.499 nan 8.360 nan 0.000 0.460 389 M N 1.609 121.213 119.600 0.007 0.000 2.073 389 M HA -0.208 4.272 4.480 -0.001 0.000 0.258 389 M C 1.834 178.141 176.300 0.012 0.000 1.070 389 M CA 1.744 57.050 55.300 0.010 0.000 1.103 389 M CB -0.137 32.469 32.600 0.010 0.000 1.321 389 M HN -0.115 nan 8.290 nan 0.000 0.405 390 K N -0.305 120.103 120.400 0.013 0.000 2.001 390 K HA -0.264 4.056 4.320 -0.001 0.000 0.214 390 K C 1.998 178.607 176.600 0.015 0.000 1.050 390 K CA 2.240 58.537 56.287 0.016 0.000 0.934 390 K CB -0.603 31.907 32.500 0.016 0.000 0.718 390 K HN 0.550 nan 8.250 nan 0.000 0.443 391 E N 1.650 121.856 120.200 0.010 0.000 2.051 391 E HA -0.227 4.123 4.350 -0.001 0.000 0.192 391 E C 1.936 178.543 176.600 0.011 0.000 0.991 391 E CA 1.844 58.250 56.400 0.009 0.000 0.799 391 E CB -0.104 29.598 29.700 0.004 0.000 0.748 391 E HN 0.109 nan 8.360 nan 0.000 0.449 392 K N 0.887 121.293 120.400 0.010 0.000 2.026 392 K HA -0.168 4.151 4.320 -0.001 0.000 0.208 392 K C 2.172 178.782 176.600 0.016 0.000 1.048 392 K CA 1.988 58.282 56.287 0.011 0.000 0.929 392 K CB -0.286 32.219 32.500 0.009 0.000 0.713 392 K HN 0.151 nan 8.250 nan 0.000 0.439 393 K N -0.164 120.246 120.400 0.017 0.000 2.063 393 K HA -0.134 4.185 4.320 -0.001 0.000 0.208 393 K C 1.930 178.548 176.600 0.030 0.000 1.048 393 K CA 1.499 57.799 56.287 0.022 0.000 0.928 393 K CB -0.393 32.120 32.500 0.022 0.000 0.713 393 K HN 0.217 nan 8.250 nan 0.000 0.442 394 A N 1.346 124.183 122.820 0.028 0.000 1.883 394 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 394 A C 2.145 179.751 177.584 0.037 0.000 1.186 394 A CA 1.708 53.765 52.037 0.033 0.000 0.624 394 A CB -0.563 18.451 19.000 0.023 0.000 0.822 394 A HN 0.371 nan 8.150 nan 0.000 0.444 395 R N -0.673 119.844 120.500 0.028 0.000 2.083 395 R HA -0.111 4.229 4.340 -0.001 0.000 0.237 395 R C 2.067 178.390 176.300 0.038 0.000 1.137 395 R CA 1.607 57.724 56.100 0.028 0.000 0.951 395 R CB -0.716 29.595 30.300 0.019 0.000 0.851 395 R HN 0.408 nan 8.270 nan 0.000 0.434 396 V N 1.631 121.565 119.914 0.033 0.000 2.324 396 V HA -0.262 3.858 4.120 -0.001 0.000 0.250 396 V C 2.212 178.335 176.094 0.049 0.000 1.060 396 V CA 1.831 64.150 62.300 0.032 0.000 1.042 396 V CB -0.538 31.298 31.823 0.022 0.000 0.650 396 V HN 0.350 nan 8.190 nan 0.000 0.450 397 E N -0.005 120.236 120.200 0.069 0.000 2.077 397 E HA -0.273 4.077 4.350 -0.001 0.000 0.193 397 E C 2.017 178.761 176.600 0.240 0.000 0.989 397 E CA 1.718 58.193 56.400 0.125 0.000 0.800 397 E CB -0.312 29.470 29.700 0.137 0.000 0.746 397 E HN 0.639 nan 8.360 nan 0.000 0.452 398 D N 0.304 120.798 120.400 0.157 0.000 2.116 398 D HA -0.151 4.489 4.640 -0.001 0.000 0.193 398 D C 1.827 178.209 176.300 0.137 0.000 0.998 398 D CA 1.797 55.873 54.000 0.127 0.000 0.836 398 D CB -0.059 40.774 40.800 0.055 0.000 0.951 398 D HN 0.183 nan 8.370 nan 0.000 0.449 399 A N 0.179 123.053 122.820 0.090 0.000 1.897 399 A HA -0.047 4.272 4.320 -0.001 0.000 0.215 399 A C 2.150 179.769 177.584 0.059 0.000 1.181 399 A CA 0.473 52.548 52.037 0.064 0.000 0.620 399 A CB -0.708 18.315 19.000 0.038 0.000 0.821 399 A HN 0.291 nan 8.150 nan 0.000 0.443 400 L N -0.424 120.824 121.223 0.042 0.000 2.051 400 L HA -0.295 4.045 4.340 -0.001 0.000 0.214 400 L C 2.342 179.185 176.870 -0.045 0.000 1.076 400 L CA 2.661 57.489 54.840 -0.020 0.000 0.758 400 L CB -0.997 41.023 42.059 -0.065 0.000 0.890 400 L HN 0.581 nan 8.230 nan 0.000 0.433 401 H N -1.132 117.946 119.070 0.014 0.000 2.333 401 H HA -0.028 4.528 4.556 -0.001 0.000 0.302 401 H C 2.197 177.535 175.328 0.017 0.000 1.075 401 H CA 1.551 57.609 56.048 0.016 0.000 1.348 401 H CB -0.007 29.765 29.762 0.018 0.000 1.393 401 H HN 0.448 nan 8.280 nan 0.000 0.509 402 A N 0.291 123.202 122.820 0.151 0.000 1.902 402 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 402 A C 2.473 180.090 177.584 0.056 0.000 1.181 402 A CA 2.097 54.187 52.037 0.088 0.000 0.623 402 A CB -1.152 17.887 19.000 0.066 0.000 0.818 402 A HN 0.616 nan 8.150 nan 0.000 0.443 403 T N -1.318 113.260 114.554 0.041 0.000 2.607 403 T HA -0.238 4.111 4.350 -0.001 0.000 0.267 403 T C 1.914 176.626 174.700 0.020 0.000 1.049 403 T CA 1.305 63.419 62.100 0.023 0.000 1.162 403 T CB -0.546 68.328 68.868 0.011 0.000 0.863 403 T HN 0.465 nan 8.240 nan 0.000 0.424 404 R N 1.623 122.132 120.500 0.014 0.000 2.170 404 R HA -0.012 4.327 4.340 -0.001 0.000 0.242 404 R C 2.760 179.077 176.300 0.029 0.000 1.145 404 R CA 1.402 57.508 56.100 0.011 0.000 0.984 404 R CB -0.800 29.494 30.300 -0.009 0.000 0.869 404 R HN 0.639 nan 8.270 nan 0.000 0.455 405 A N 0.695 123.542 122.820 0.045 0.000 1.935 405 A HA 0.131 4.450 4.320 -0.001 0.000 0.214 405 A C 2.336 179.940 177.584 0.033 0.000 1.178 405 A CA 0.983 53.048 52.037 0.047 0.000 0.640 405 A CB -0.248 18.789 19.000 0.062 0.000 0.825 405 A HN 0.310 nan 8.150 nan 0.000 0.447 406 A N -0.315 122.523 122.820 0.029 0.000 1.902 406 A HA -0.023 4.297 4.320 -0.001 0.000 0.217 406 A C 2.179 179.773 177.584 0.017 0.000 1.181 406 A CA 1.832 53.882 52.037 0.022 0.000 0.623 406 A CB -0.860 18.151 19.000 0.020 0.000 0.818 406 A HN 0.352 nan 8.150 nan 0.000 0.443 407 V N 1.032 120.956 119.914 0.016 0.000 2.427 407 V HA -0.254 3.865 4.120 -0.001 0.000 0.248 407 V C 2.505 178.606 176.094 0.012 0.000 1.051 407 V CA 2.277 64.584 62.300 0.011 0.000 1.048 407 V CB -0.825 31.002 31.823 0.008 0.000 0.666 407 V HN 0.915 nan 8.190 nan 0.000 0.456 408 E N -0.133 120.076 120.200 0.015 0.000 2.318 408 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 408 E C 1.742 178.351 176.600 0.015 0.000 0.998 408 E CA 1.074 57.482 56.400 0.015 0.000 0.859 408 E CB 0.043 29.754 29.700 0.017 0.000 0.812 408 E HN 0.644 nan 8.360 nan 0.000 0.492 409 E N 0.115 120.325 120.200 0.017 0.000 2.641 409 E HA 0.216 4.566 4.350 -0.001 0.000 0.224 409 E C 0.200 176.808 176.600 0.013 0.000 0.951 409 E CA 0.335 56.744 56.400 0.015 0.000 1.102 409 E CB 1.113 30.824 29.700 0.018 0.000 1.091 409 E HN 0.337 nan 8.360 nan 0.000 0.507 410 G N 0.294 109.102 108.800 0.014 0.000 2.698 410 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.225 410 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.225 410 G C -0.499 174.410 174.900 0.015 0.000 1.345 410 G CA -0.506 44.602 45.100 0.013 0.000 0.871 410 G HN 0.633 nan 8.290 nan 0.000 0.540 411 V N -2.701 117.221 119.914 0.014 0.000 2.962 411 V HA 0.977 5.096 4.120 -0.001 0.000 0.313 411 V C 0.654 176.757 176.094 0.016 0.000 1.099 411 V CA 0.034 62.343 62.300 0.015 0.000 0.971 411 V CB 1.114 32.946 31.823 0.015 0.000 1.028 411 V HN 2.451 nan 8.190 nan 0.000 0.430 412 V N -0.727 119.197 119.914 0.017 0.000 3.156 412 V HA 1.032 5.152 4.120 -0.001 0.000 0.311 412 V C 0.354 176.460 176.094 0.020 0.000 1.208 412 V CA -0.663 61.648 62.300 0.019 0.000 1.063 412 V CB 1.520 33.353 31.823 0.018 0.000 1.098 412 V HN 1.940 nan 8.190 nan 0.000 0.452 413 A N 0.782 123.617 122.820 0.024 0.000 2.404 413 A HA 0.726 5.046 4.320 -0.001 0.000 0.273 413 A C 0.788 178.387 177.584 0.024 0.000 1.144 413 A CA 0.415 52.468 52.037 0.026 0.000 0.806 413 A CB -0.395 18.626 19.000 0.035 0.000 1.080 413 A HN 1.903 nan 8.150 nan 0.000 0.509 414 G N 0.950 109.760 108.800 0.018 0.000 2.525 414 G HA2 0.485 4.444 3.960 -0.001 0.000 0.276 414 G HA3 0.485 4.444 3.960 -0.001 0.000 0.276 414 G C 1.177 176.089 174.900 0.021 0.000 1.388 414 G CA 0.061 45.170 45.100 0.016 0.000 1.050 414 G HN 2.231 nan 8.290 nan 0.000 0.520 415 G N -2.272 106.541 108.800 0.021 0.000 2.168 415 G HA2 0.201 4.160 3.960 -0.001 0.000 0.257 415 G HA3 0.201 4.160 3.960 -0.001 0.000 0.257 415 G C 1.492 176.417 174.900 0.042 0.000 0.997 415 G CA 1.093 46.214 45.100 0.035 0.000 0.708 415 G HN 2.510 nan 8.290 nan 0.000 0.520 416 G N -2.118 106.702 108.800 0.033 0.000 2.203 416 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.263 416 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.263 416 G C 1.656 176.578 174.900 0.036 0.000 1.012 416 G CA 1.666 46.785 45.100 0.032 0.000 0.749 416 G HN 2.019 nan 8.290 nan 0.000 0.512 417 V N -0.125 119.813 119.914 0.039 0.000 2.323 417 V HA 0.170 4.290 4.120 -0.001 0.000 0.244 417 V C 2.970 179.088 176.094 0.040 0.000 1.041 417 V CA 2.596 64.923 62.300 0.045 0.000 1.025 417 V CB -0.645 31.209 31.823 0.051 0.000 0.656 417 V HN 1.411 nan 8.190 nan 0.000 0.451 418 A N 0.166 123.006 122.820 0.034 0.000 1.896 418 A HA -0.263 4.056 4.320 -0.001 0.000 0.220 418 A C 2.171 179.770 177.584 0.025 0.000 1.206 418 A CA 2.631 54.685 52.037 0.028 0.000 0.647 418 A CB -0.976 18.038 19.000 0.023 0.000 0.828 418 A HN 0.553 nan 8.150 nan 0.000 0.455 419 L N -1.031 120.206 121.223 0.023 0.000 2.046 419 L HA -0.063 4.277 4.340 -0.001 0.000 0.208 419 L C 2.376 179.259 176.870 0.021 0.000 1.077 419 L CA 1.680 56.531 54.840 0.019 0.000 0.747 419 L CB -0.676 41.394 42.059 0.017 0.000 0.896 419 L HN 0.470 nan 8.230 nan 0.000 0.432 420 I N -1.372 119.214 120.570 0.027 0.000 2.335 420 I HA -0.306 3.863 4.170 -0.001 0.000 0.251 420 I C 2.491 178.626 176.117 0.030 0.000 1.129 420 I CA 0.818 62.135 61.300 0.028 0.000 1.402 420 I CB -0.087 37.934 38.000 0.035 0.000 1.069 420 I HN 0.187 nan 8.210 nan 0.000 0.424 421 R N -0.019 120.501 120.500 0.033 0.000 2.062 421 R HA -0.094 4.246 4.340 -0.001 0.000 0.231 421 R C 2.313 178.626 176.300 0.022 0.000 1.136 421 R CA 1.764 57.884 56.100 0.032 0.000 0.948 421 R CB -1.342 28.980 30.300 0.037 0.000 0.845 421 R HN 0.441 nan 8.270 nan 0.000 0.430 422 V N -0.289 119.636 119.914 0.018 0.000 2.626 422 V HA -0.036 4.083 4.120 -0.001 0.000 0.252 422 V C 1.931 178.032 176.094 0.011 0.000 1.067 422 V CA 1.918 64.226 62.300 0.013 0.000 1.081 422 V CB -0.679 31.149 31.823 0.009 0.000 0.686 422 V HN 0.221 nan 8.190 nan 0.000 0.468 423 A N 1.313 124.140 122.820 0.012 0.000 1.972 423 A HA -0.124 4.196 4.320 -0.001 0.000 0.219 423 A C 2.547 180.137 177.584 0.010 0.000 1.169 423 A CA 2.260 54.303 52.037 0.010 0.000 0.635 423 A CB -0.876 18.131 19.000 0.012 0.000 0.810 423 A HN 1.013 nan 8.150 nan 0.000 0.446 424 S N -0.723 114.984 115.700 0.013 0.000 2.470 424 S HA -0.011 4.458 4.470 -0.001 0.000 0.225 424 S C 1.709 176.314 174.600 0.009 0.000 1.006 424 S CA 1.107 59.314 58.200 0.011 0.000 0.934 424 S CB -0.155 63.053 63.200 0.013 0.000 0.778 424 S HN 0.511 nan 8.310 nan 0.000 0.517 425 K N 0.961 121.366 120.400 0.009 0.000 2.211 425 K HA 0.211 4.531 4.320 -0.001 0.000 0.203 425 K C 1.195 177.798 176.600 0.005 0.000 1.050 425 K CA 0.922 57.214 56.287 0.007 0.000 0.945 425 K CB -0.238 32.266 32.500 0.008 0.000 0.732 425 K HN 0.423 nan 8.250 nan 0.000 0.451 426 L N -0.481 120.745 121.223 0.005 0.000 2.700 426 L HA 0.245 4.585 4.340 -0.001 0.000 0.234 426 L C 1.617 178.489 176.870 0.003 0.000 1.156 426 L CA -0.256 54.586 54.840 0.003 0.000 0.946 426 L CB 0.149 42.210 42.059 0.003 0.000 1.216 426 L HN 0.050 nan 8.230 nan 0.000 0.493 427 A N 0.054 122.876 122.820 0.004 0.000 2.139 427 A HA -0.203 4.116 4.320 -0.001 0.000 0.221 427 A C 1.442 179.027 177.584 0.002 0.000 1.159 427 A CA 1.753 53.792 52.037 0.003 0.000 0.662 427 A CB -0.236 18.766 19.000 0.003 0.000 0.796 427 A HN 0.364 nan 8.150 nan 0.000 0.463 428 D N -1.537 118.864 120.400 0.002 0.000 2.431 428 D HA 0.210 4.850 4.640 -0.001 0.000 0.213 428 D C -0.194 176.106 176.300 0.001 0.000 1.130 428 D CA -0.312 53.689 54.000 0.001 0.000 0.834 428 D CB 0.119 40.919 40.800 0.001 0.000 0.985 428 D HN 0.289 nan 8.370 nan 0.000 0.504 429 L N 1.870 123.094 121.223 0.001 0.000 2.410 429 L HA 0.184 4.523 4.340 -0.001 0.000 0.273 429 L C 0.240 177.110 176.870 0.001 0.000 1.152 429 L CA 0.478 55.318 54.840 0.001 0.000 0.855 429 L CB 0.145 42.205 42.059 0.001 0.000 1.129 429 L HN -0.198 nan 8.230 nan 0.000 0.463 430 R N 2.991 123.492 120.500 0.001 0.000 2.867 430 R HA 0.721 5.061 4.340 -0.001 0.000 0.268 430 R C -0.289 176.012 176.300 0.001 0.000 1.014 430 R CA -0.573 55.528 56.100 0.001 0.000 0.946 430 R CB 1.602 31.903 30.300 0.001 0.000 1.208 430 R HN 0.788 nan 8.270 nan 0.000 0.477 431 G N -0.332 108.469 108.800 0.002 0.000 2.938 431 G HA2 0.182 4.142 3.960 -0.001 0.000 0.258 431 G HA3 0.182 4.142 3.960 -0.001 0.000 0.258 431 G C 0.185 175.086 174.900 0.002 0.000 1.356 431 G CA -0.364 44.737 45.100 0.002 0.000 1.052 431 G HN 0.466 nan 8.290 nan 0.000 0.550 432 Q N -0.244 119.557 119.800 0.002 0.000 2.291 432 Q HA -0.007 4.333 4.340 -0.001 0.000 0.206 432 Q C 0.555 176.557 176.000 0.002 0.000 0.976 432 Q CA 1.153 56.957 55.803 0.002 0.000 0.875 432 Q CB -0.059 28.681 28.738 0.003 0.000 0.927 432 Q HN 0.592 nan 8.270 nan 0.000 0.450 433 N N -1.742 116.960 118.700 0.002 0.000 3.046 433 N HA -0.028 4.711 4.740 -0.001 0.000 0.243 433 N C -0.083 175.428 175.510 0.003 0.000 1.452 433 N CA -0.283 52.769 53.050 0.002 0.000 0.882 433 N CB 1.166 39.655 38.487 0.003 0.000 1.425 433 N HN -0.198 nan 8.380 nan 0.000 0.517 434 E N 0.426 120.627 120.200 0.002 0.000 2.110 434 E HA -0.131 4.219 4.350 -0.001 0.000 0.193 434 E C 0.496 177.098 176.600 0.003 0.000 0.988 434 E CA 1.798 58.199 56.400 0.002 0.000 0.804 434 E CB -0.191 29.510 29.700 0.002 0.000 0.745 434 E HN 0.556 nan 8.360 nan 0.000 0.458 435 D N 0.260 120.662 120.400 0.003 0.000 2.104 435 D HA -0.176 4.463 4.640 -0.001 0.000 0.194 435 D C 1.892 178.195 176.300 0.004 0.000 0.994 435 D CA 1.159 55.161 54.000 0.004 0.000 0.830 435 D CB -0.349 40.454 40.800 0.005 0.000 0.959 435 D HN 0.354 nan 8.370 nan 0.000 0.452 436 Q N -0.017 119.786 119.800 0.004 0.000 2.197 436 Q HA -0.154 4.186 4.340 -0.001 0.000 0.207 436 Q C 1.701 177.703 176.000 0.004 0.000 0.984 436 Q CA 0.910 56.715 55.803 0.004 0.000 0.869 436 Q CB -0.015 28.726 28.738 0.004 0.000 0.906 436 Q HN 0.265 nan 8.270 nan 0.000 0.426 437 N N -0.357 118.345 118.700 0.003 0.000 2.171 437 N HA -0.100 4.640 4.740 -0.001 0.000 0.184 437 N C 1.793 177.305 175.510 0.003 0.000 1.021 437 N CA 0.842 53.894 53.050 0.003 0.000 0.854 437 N CB -0.284 38.205 38.487 0.002 0.000 0.994 437 N HN 0.030 nan 8.380 nan 0.000 0.426 438 V N 0.887 120.803 119.914 0.003 0.000 2.407 438 V HA -0.147 3.973 4.120 -0.001 0.000 0.248 438 V C 2.376 178.473 176.094 0.005 0.000 1.055 438 V CA 1.999 64.301 62.300 0.004 0.000 1.049 438 V CB -1.208 30.617 31.823 0.004 0.000 0.662 438 V HN 0.343 nan 8.190 nan 0.000 0.455 439 G N -0.059 108.744 108.800 0.005 0.000 2.421 439 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.216 439 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.216 439 G C 1.581 176.484 174.900 0.005 0.000 1.171 439 G CA 1.112 46.215 45.100 0.006 0.000 0.775 439 G HN 0.478 nan 8.290 nan 0.000 0.543 440 I N 0.189 120.761 120.570 0.004 0.000 2.163 440 I HA -0.178 3.991 4.170 -0.001 0.000 0.243 440 I C 2.767 178.886 176.117 0.004 0.000 1.085 440 I CA 1.380 62.682 61.300 0.003 0.000 1.347 440 I CB -0.104 37.898 38.000 0.003 0.000 1.044 440 I HN 0.030 nan 8.210 nan 0.000 0.408 441 K N 0.409 120.811 120.400 0.004 0.000 2.147 441 K HA -0.087 4.233 4.320 -0.001 0.000 0.205 441 K C 1.911 178.514 176.600 0.005 0.000 1.049 441 K CA 0.802 57.091 56.287 0.004 0.000 0.936 441 K CB -0.459 32.043 32.500 0.004 0.000 0.722 441 K HN 0.094 nan 8.250 nan 0.000 0.446 442 V N 0.438 120.355 119.914 0.005 0.000 2.287 442 V HA -0.315 3.805 4.120 -0.001 0.000 0.248 442 V C 2.133 178.231 176.094 0.007 0.000 1.053 442 V CA 2.201 64.505 62.300 0.006 0.000 1.027 442 V CB -0.606 31.221 31.823 0.007 0.000 0.646 442 V HN 0.426 nan 8.190 nan 0.000 0.447 443 A N -0.697 122.126 122.820 0.006 0.000 1.897 443 A HA -0.055 4.264 4.320 -0.001 0.000 0.215 443 A C 2.141 179.729 177.584 0.006 0.000 1.181 443 A CA 1.321 53.362 52.037 0.006 0.000 0.620 443 A CB -0.439 18.564 19.000 0.004 0.000 0.821 443 A HN 0.497 nan 8.150 nan 0.000 0.443 444 L N -1.020 120.207 121.223 0.006 0.000 2.043 444 L HA -0.240 4.099 4.340 -0.001 0.000 0.212 444 L C 2.828 179.703 176.870 0.007 0.000 1.075 444 L CA 1.856 56.700 54.840 0.006 0.000 0.752 444 L CB -0.590 41.472 42.059 0.006 0.000 0.891 444 L HN 0.379 nan 8.230 nan 0.000 0.432 445 R N -0.137 120.367 120.500 0.007 0.000 2.081 445 R HA -0.136 4.204 4.340 -0.001 0.000 0.235 445 R C 2.445 178.750 176.300 0.008 0.000 1.131 445 R CA 1.358 57.462 56.100 0.007 0.000 0.960 445 R CB -0.310 29.994 30.300 0.006 0.000 0.856 445 R HN 0.384 nan 8.270 nan 0.000 0.436 446 A N 0.503 123.328 122.820 0.009 0.000 1.933 446 A HA -0.185 4.135 4.320 -0.001 0.000 0.218 446 A C 2.051 179.642 177.584 0.011 0.000 1.175 446 A CA 1.295 53.339 52.037 0.010 0.000 0.628 446 A CB -0.400 18.606 19.000 0.011 0.000 0.814 446 A HN 0.271 nan 8.150 nan 0.000 0.444 447 M N -0.444 119.162 119.600 0.011 0.000 2.521 447 M HA -0.188 4.291 4.480 -0.001 0.000 0.260 447 M C 1.398 177.706 176.300 0.015 0.000 1.068 447 M CA 1.283 56.590 55.300 0.012 0.000 1.060 447 M CB -0.224 32.382 32.600 0.011 0.000 1.398 447 M HN 0.470 nan 8.290 nan 0.000 0.473 448 E N -0.767 119.441 120.200 0.013 0.000 2.489 448 E HA 0.038 4.387 4.350 -0.001 0.000 0.193 448 E C 1.863 178.472 176.600 0.013 0.000 1.057 448 E CA 0.303 56.712 56.400 0.014 0.000 0.866 448 E CB 0.140 29.847 29.700 0.011 0.000 0.916 448 E HN 0.514 nan 8.360 nan 0.000 0.500 449 A N 2.257 125.085 122.820 0.013 0.000 1.845 449 A HA -0.092 4.228 4.320 -0.001 0.000 0.215 449 A C -0.342 177.251 177.584 0.015 0.000 1.195 449 A CA 1.033 53.078 52.037 0.013 0.000 0.616 449 A CB -1.409 17.599 19.000 0.013 0.000 0.832 449 A HN 0.104 nan 8.150 nan 0.000 0.443 450 P HA -0.171 nan 4.420 nan 0.000 0.216 450 P C 1.776 179.090 177.300 0.024 0.000 1.153 450 P CA 0.988 64.101 63.100 0.021 0.000 0.858 450 P CB -0.118 31.596 31.700 0.022 0.000 0.789 451 L N -0.997 120.242 121.223 0.026 0.000 2.046 451 L HA -0.178 4.162 4.340 -0.001 0.000 0.208 451 L C 2.480 179.363 176.870 0.021 0.000 1.077 451 L CA 1.720 56.579 54.840 0.033 0.000 0.747 451 L CB -0.227 41.853 42.059 0.035 0.000 0.896 451 L HN -0.204 nan 8.230 nan 0.000 0.432 452 R N -0.998 119.509 120.500 0.011 0.000 2.092 452 R HA -0.146 4.193 4.340 -0.001 0.000 0.231 452 R C 2.366 178.668 176.300 0.004 0.000 1.119 452 R CA 1.206 57.306 56.100 0.001 0.000 0.970 452 R CB -0.120 30.180 30.300 0.000 0.000 0.864 452 R HN 0.401 nan 8.270 nan 0.000 0.440 453 Q N 0.222 120.028 119.800 0.011 0.000 2.137 453 Q HA -0.022 4.318 4.340 -0.001 0.000 0.198 453 Q C 2.114 178.124 176.000 0.017 0.000 0.960 453 Q CA 1.110 56.920 55.803 0.012 0.000 0.847 453 Q CB 0.068 28.814 28.738 0.013 0.000 0.915 453 Q HN 0.395 nan 8.270 nan 0.000 0.448 454 I N -0.160 120.425 120.570 0.026 0.000 2.208 454 I HA -0.275 3.895 4.170 -0.001 0.000 0.245 454 I C 2.170 178.316 176.117 0.048 0.000 1.097 454 I CA 0.899 62.222 61.300 0.038 0.000 1.363 454 I CB -0.121 37.910 38.000 0.052 0.000 1.051 454 I HN -0.018 nan 8.210 nan 0.000 0.413 455 V N 0.151 120.087 119.914 0.036 0.000 2.453 455 V HA -0.220 3.899 4.120 -0.001 0.000 0.247 455 V C 2.235 178.333 176.094 0.006 0.000 1.048 455 V CA 1.083 63.394 62.300 0.017 0.000 1.049 455 V CB -0.283 31.503 31.823 -0.062 0.000 0.672 455 V HN 0.309 nan 8.190 nan 0.000 0.457 456 L N 0.627 121.851 121.223 0.003 0.000 2.083 456 L HA -0.111 4.229 4.340 -0.001 0.000 0.209 456 L C 1.987 178.862 176.870 0.008 0.000 1.083 456 L CA 1.834 56.674 54.840 0.001 0.000 0.752 456 L CB -1.320 40.739 42.059 0.001 0.000 0.899 456 L HN 0.414 nan 8.230 nan 0.000 0.433 457 N N -2.116 116.592 118.700 0.013 0.000 2.520 457 N HA -0.148 4.591 4.740 -0.001 0.000 0.185 457 N C 1.364 176.885 175.510 0.017 0.000 1.068 457 N CA 0.914 53.972 53.050 0.014 0.000 0.911 457 N CB -0.039 38.457 38.487 0.014 0.000 0.961 457 N HN 0.371 nan 8.380 nan 0.000 0.446 458 C N -0.257 119.059 119.300 0.027 0.000 2.791 458 C HA 0.271 4.730 4.460 -0.001 0.000 0.270 458 C C 1.648 176.652 174.990 0.023 0.000 1.257 458 C CA -0.132 58.906 59.018 0.033 0.000 1.699 458 C CB -0.814 26.968 27.740 0.069 0.000 1.904 458 C HN 0.601 nan 8.230 nan 0.000 0.603 459 G N 1.731 110.539 108.800 0.014 0.000 2.176 459 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.252 459 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.252 459 G C -0.306 174.596 174.900 0.004 0.000 1.024 459 G CA 0.350 45.454 45.100 0.007 0.000 0.755 459 G HN 0.633 nan 8.290 nan 0.000 0.507 460 E N -0.081 120.118 120.200 -0.001 0.000 2.264 460 E HA 0.469 4.819 4.350 -0.001 0.000 0.260 460 E C -0.052 176.526 176.600 -0.037 0.000 0.961 460 E CA -0.924 55.464 56.400 -0.020 0.000 0.834 460 E CB 0.902 30.581 29.700 -0.034 0.000 1.230 460 E HN 0.407 nan 8.360 nan 0.000 0.412 461 E N 1.775 121.948 120.200 -0.046 0.000 2.166 461 E HA 0.062 4.411 4.350 -0.001 0.000 0.279 461 E C -2.061 174.503 176.600 -0.061 0.000 1.095 461 E CA -1.523 54.852 56.400 -0.041 0.000 0.888 461 E CB 0.658 30.341 29.700 -0.029 0.000 1.041 461 E HN 0.238 nan 8.360 nan 0.000 0.414 462 P HA -0.132 nan 4.420 nan 0.000 0.221 462 P C 1.185 178.459 177.300 -0.043 0.000 1.150 462 P CA 0.987 64.057 63.100 -0.050 0.000 0.800 462 P CB 0.250 31.935 31.700 -0.026 0.000 0.787 463 S N -2.177 113.504 115.700 -0.031 0.000 2.528 463 S HA 0.049 4.519 4.470 -0.001 0.000 0.219 463 S C 1.771 176.357 174.600 -0.024 0.000 0.985 463 S CA 0.108 58.294 58.200 -0.022 0.000 0.914 463 S CB -1.083 62.109 63.200 -0.014 0.000 0.776 463 S HN -0.063 nan 8.310 nan 0.000 0.526 464 V N 1.230 121.124 119.914 -0.033 0.000 2.446 464 V HA -0.021 4.098 4.120 -0.001 0.000 0.244 464 V C 2.470 178.546 176.094 -0.030 0.000 1.039 464 V CA 1.064 63.349 62.300 -0.026 0.000 1.045 464 V CB -0.257 31.554 31.823 -0.020 0.000 0.681 464 V HN 0.402 nan 8.190 nan 0.000 0.459 465 V N 0.407 120.275 119.914 -0.077 0.000 2.261 465 V HA -0.246 3.874 4.120 -0.001 0.000 0.246 465 V C 2.750 178.828 176.094 -0.027 0.000 1.047 465 V CA 2.135 64.376 62.300 -0.098 0.000 1.015 465 V CB -1.084 30.518 31.823 -0.368 0.000 0.642 465 V HN 0.549 nan 8.190 nan 0.000 0.446 466 A N 0.192 122.992 122.820 -0.032 0.000 1.917 466 A HA -0.314 4.006 4.320 -0.001 0.000 0.219 466 A C 2.029 179.614 177.584 0.002 0.000 1.182 466 A CA 2.465 54.499 52.037 -0.004 0.000 0.633 466 A CB -0.881 18.117 19.000 -0.005 0.000 0.819 466 A HN 0.602 nan 8.150 nan 0.000 0.448 467 N N -0.316 118.379 118.700 -0.009 0.000 2.036 467 N HA -0.155 4.585 4.740 -0.001 0.000 0.195 467 N C 2.041 177.542 175.510 -0.016 0.000 1.037 467 N CA 2.551 55.595 53.050 -0.010 0.000 0.855 467 N CB -0.730 37.748 38.487 -0.015 0.000 1.033 467 N HN 0.718 nan 8.380 nan 0.000 0.423 468 T N -2.117 112.409 114.554 -0.047 0.000 2.904 468 T HA -0.003 4.347 4.350 -0.001 0.000 0.267 468 T C 2.027 176.725 174.700 -0.003 0.000 1.059 468 T CA 0.976 63.017 62.100 -0.098 0.000 1.137 468 T CB -0.696 67.987 68.868 -0.307 0.000 0.879 468 T HN -0.064 nan 8.240 nan 0.000 0.467 469 V N 1.765 121.684 119.914 0.007 0.000 2.407 469 V HA -0.107 4.013 4.120 -0.001 0.000 0.248 469 V C 2.804 178.977 176.094 0.132 0.000 1.055 469 V CA 1.734 64.084 62.300 0.083 0.000 1.049 469 V CB -0.570 31.291 31.823 0.064 0.000 0.662 469 V HN 0.513 nan 8.190 nan 0.000 0.455 470 K N 0.198 120.639 120.400 0.068 0.000 2.211 470 K HA -0.061 4.258 4.320 -0.001 0.000 0.203 470 K C 2.086 178.715 176.600 0.047 0.000 1.050 470 K CA 1.162 57.481 56.287 0.053 0.000 0.945 470 K CB -0.433 32.084 32.500 0.027 0.000 0.732 470 K HN 0.564 nan 8.250 nan 0.000 0.451 471 G N 0.787 109.612 108.800 0.041 0.000 2.679 471 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.212 471 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.212 471 G C 0.659 175.543 174.900 -0.027 0.000 1.137 471 G CA 0.535 45.636 45.100 0.002 0.000 0.787 471 G HN 0.341 nan 8.290 nan 0.000 0.534 472 G N -0.973 107.847 108.800 0.033 0.000 2.857 472 G HA2 0.548 4.507 3.960 -0.001 0.000 0.217 472 G HA3 0.548 4.507 3.960 -0.001 0.000 0.217 472 G C -1.258 173.641 174.900 -0.000 0.000 1.357 472 G CA -0.509 44.536 45.100 -0.092 0.000 1.033 472 G HN 0.099 nan 8.290 nan 0.000 0.571 473 D N -1.823 118.577 120.400 0.001 0.000 2.552 473 D HA 0.502 5.142 4.640 -0.001 0.000 0.239 473 D C 0.926 177.270 176.300 0.073 0.000 1.139 473 D CA 0.531 54.545 54.000 0.025 0.000 0.914 473 D CB 1.724 42.513 40.800 -0.018 0.000 1.461 473 D HN 0.853 nan 8.370 nan 0.000 0.462 474 G N 1.657 110.491 108.800 0.057 0.000 2.690 474 G HA2 -0.384 3.576 3.960 -0.001 0.000 0.334 474 G HA3 -0.384 3.576 3.960 -0.001 0.000 0.334 474 G C 0.334 175.287 174.900 0.088 0.000 1.250 474 G CA 0.700 45.836 45.100 0.060 0.000 0.994 474 G HN 0.660 nan 8.290 nan 0.000 0.549 475 N N -0.089 118.671 118.700 0.100 0.000 2.320 475 N HA 0.291 5.031 4.740 -0.001 0.000 0.237 475 N C -0.163 175.443 175.510 0.160 0.000 1.129 475 N CA -0.316 52.796 53.050 0.104 0.000 0.854 475 N CB 0.379 38.909 38.487 0.072 0.000 1.083 475 N HN 0.430 nan 8.380 nan 0.000 0.504 476 Y N 1.720 122.047 120.300 0.044 0.000 2.526 476 Y HA 0.357 4.907 4.550 -0.000 0.000 0.330 476 Y C 0.651 176.610 175.900 0.098 0.000 1.156 476 Y CA 0.185 58.324 58.100 0.065 0.000 1.419 476 Y CB 0.296 38.782 38.460 0.043 0.000 1.250 476 Y HN 0.062 nan 8.280 nan 0.000 0.540 477 G N 4.027 112.689 108.800 -0.230 0.000 2.600 477 G HA2 0.269 4.229 3.960 -0.001 0.000 0.293 477 G HA3 0.269 4.229 3.960 -0.001 0.000 0.293 477 G C -2.494 172.369 174.900 -0.062 0.000 1.408 477 G CA -0.963 44.061 45.100 -0.126 0.000 0.782 477 G HN 0.512 nan 8.290 nan 0.000 0.482 478 Y N 1.506 121.750 120.300 -0.093 0.000 2.326 478 Y HA 0.553 5.103 4.550 -0.001 0.000 0.337 478 Y C 0.145 175.947 175.900 -0.163 0.000 1.023 478 Y CA -1.391 56.608 58.100 -0.169 0.000 1.143 478 Y CB 1.445 39.824 38.460 -0.135 0.000 1.183 478 Y HN 0.412 nan 8.280 nan 0.000 0.485 479 N N 4.969 123.226 118.700 -0.738 0.000 2.602 479 N HA 0.181 4.920 4.740 -0.001 0.000 0.238 479 N C 0.515 175.494 175.510 -0.886 0.000 1.084 479 N CA 0.525 53.223 53.050 -0.588 0.000 0.952 479 N CB 1.013 39.275 38.487 -0.375 0.000 1.244 479 N HN 0.904 nan 8.380 nan 0.000 0.512 480 A N 3.585 126.056 122.820 -0.581 0.000 1.978 480 A HA -0.131 4.188 4.320 -0.001 0.000 0.220 480 A C 2.048 179.487 177.584 -0.243 0.000 1.170 480 A CA 1.919 53.757 52.037 -0.332 0.000 0.636 480 A CB -0.533 18.459 19.000 -0.013 0.000 0.810 480 A HN 0.676 nan 8.150 nan 0.000 0.448 481 A N -0.730 121.963 122.820 -0.211 0.000 1.929 481 A HA -0.006 4.313 4.320 -0.001 0.000 0.216 481 A C 2.235 179.726 177.584 -0.155 0.000 1.176 481 A CA 2.184 54.138 52.037 -0.138 0.000 0.628 481 A CB -0.833 18.106 19.000 -0.102 0.000 0.816 481 A HN 0.826 nan 8.150 nan 0.000 0.444 482 T N -2.752 111.668 114.554 -0.224 0.000 3.054 482 T HA 0.212 4.562 4.350 -0.001 0.000 0.255 482 T C 0.195 174.760 174.700 -0.226 0.000 1.035 482 T CA 0.593 62.582 62.100 -0.185 0.000 0.941 482 T CB -0.409 68.366 68.868 -0.155 0.000 1.026 482 T HN 0.621 nan 8.240 nan 0.000 0.533 483 E N 1.715 121.704 120.200 -0.353 0.000 2.403 483 E HA -0.222 4.127 4.350 -0.001 0.000 0.241 483 E C -0.451 175.939 176.600 -0.349 0.000 1.201 483 E CA 0.915 57.103 56.400 -0.353 0.000 0.721 483 E CB -2.215 27.448 29.700 -0.063 0.000 1.245 483 E HN 0.945 nan 8.360 nan 0.000 0.392 484 E N -0.421 119.478 120.200 -0.501 0.000 2.367 484 E HA 0.530 4.880 4.350 -0.001 0.000 0.273 484 E C -0.740 175.611 176.600 -0.415 0.000 0.903 484 E CA -1.023 55.169 56.400 -0.347 0.000 0.764 484 E CB 0.955 30.585 29.700 -0.116 0.000 1.252 484 E HN 0.084 nan 8.360 nan 0.000 0.446 485 Y N 0.170 120.462 120.300 -0.013 0.000 2.300 485 Y HA 0.623 5.172 4.550 -0.000 0.000 0.328 485 Y C 1.113 176.983 175.900 -0.050 0.000 1.270 485 Y CA 0.674 58.714 58.100 -0.099 0.000 1.352 485 Y CB 1.670 40.051 38.460 -0.132 0.000 1.286 485 Y HN 0.843 nan 8.280 nan 0.000 0.536 486 G N 0.538 109.375 108.800 0.062 0.000 2.325 486 G HA2 0.004 3.963 3.960 -0.001 0.000 0.295 486 G HA3 0.004 3.963 3.960 -0.001 0.000 0.295 486 G C -1.934 173.051 174.900 0.141 0.000 1.274 486 G CA -1.179 44.015 45.100 0.157 0.000 0.857 486 G HN 0.531 nan 8.290 nan 0.000 0.499 487 N N 1.029 119.810 118.700 0.134 0.000 2.411 487 N HA 0.129 4.868 4.740 -0.001 0.000 0.259 487 N C 1.633 177.175 175.510 0.053 0.000 1.103 487 N CA -0.484 52.631 53.050 0.109 0.000 0.954 487 N CB 0.888 39.430 38.487 0.092 0.000 1.085 487 N HN 0.375 nan 8.380 nan 0.000 0.485 488 M N 3.465 123.090 119.600 0.043 0.000 2.213 488 M HA -0.127 4.353 4.480 -0.001 0.000 0.263 488 M C 1.548 177.857 176.300 0.016 0.000 1.062 488 M CA 0.887 56.196 55.300 0.016 0.000 1.105 488 M CB -0.474 32.136 32.600 0.017 0.000 1.385 488 M HN 0.541 nan 8.290 nan 0.000 0.417 489 I N 0.554 121.139 120.570 0.026 0.000 2.252 489 I HA -0.237 3.932 4.170 -0.001 0.000 0.245 489 I C 1.842 177.968 176.117 0.015 0.000 1.102 489 I CA 1.343 62.655 61.300 0.020 0.000 1.385 489 I CB -1.468 36.546 38.000 0.023 0.000 1.064 489 I HN 0.231 nan 8.210 nan 0.000 0.414 490 D N 0.665 121.078 120.400 0.020 0.000 2.178 490 D HA -0.130 4.510 4.640 -0.001 0.000 0.201 490 D C 2.270 178.574 176.300 0.007 0.000 0.980 490 D CA 1.070 55.080 54.000 0.016 0.000 0.842 490 D CB -0.097 40.718 40.800 0.024 0.000 0.948 490 D HN 0.340 nan 8.370 nan 0.000 0.472 491 M N -0.757 118.844 119.600 0.002 0.000 2.619 491 M HA 0.116 4.595 4.480 -0.001 0.000 0.251 491 M C 1.166 177.458 176.300 -0.014 0.000 1.106 491 M CA 0.740 56.033 55.300 -0.012 0.000 1.086 491 M CB 0.246 32.830 32.600 -0.027 0.000 1.465 491 M HN 0.047 nan 8.290 nan 0.000 0.506 492 G N 2.309 111.105 108.800 -0.006 0.000 2.176 492 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.252 492 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.252 492 G C 0.051 174.947 174.900 -0.008 0.000 1.024 492 G CA -0.221 44.876 45.100 -0.005 0.000 0.755 492 G HN 0.551 nan 8.290 nan 0.000 0.507 493 I N 1.306 121.870 120.570 -0.010 0.000 2.257 493 I HA 0.334 4.504 4.170 -0.001 0.000 0.290 493 I C 0.530 176.647 176.117 0.000 0.000 1.137 493 I CA -0.262 61.031 61.300 -0.011 0.000 1.255 493 I CB 0.118 38.104 38.000 -0.023 0.000 1.485 493 I HN 0.010 nan 8.210 nan 0.000 0.534 494 L N 4.092 125.317 121.223 0.004 0.000 2.296 494 L HA 0.543 4.883 4.340 -0.001 0.000 0.286 494 L C -0.586 176.292 176.870 0.013 0.000 1.023 494 L CA -0.800 54.046 54.840 0.010 0.000 0.812 494 L CB 1.460 43.526 42.059 0.011 0.000 1.223 494 L HN 0.303 nan 8.230 nan 0.000 0.421 495 D N 3.508 123.918 120.400 0.016 0.000 2.163 495 D HA 0.371 5.011 4.640 -0.001 0.000 0.248 495 D C -2.460 173.852 176.300 0.020 0.000 1.035 495 D CA -1.534 52.477 54.000 0.019 0.000 0.872 495 D CB 1.805 42.617 40.800 0.020 0.000 1.183 495 D HN 0.206 nan 8.370 nan 0.000 0.445 496 P HA 0.122 nan 4.420 nan 0.000 0.276 496 P C 0.701 178.016 177.300 0.024 0.000 1.235 496 P CA -0.209 62.906 63.100 0.025 0.000 0.772 496 P CB 0.739 32.458 31.700 0.033 0.000 0.871 497 T N 2.640 117.206 114.554 0.019 0.000 2.635 497 T HA -0.229 4.121 4.350 -0.001 0.000 0.267 497 T C 1.624 176.333 174.700 0.015 0.000 1.040 497 T CA 1.529 63.638 62.100 0.015 0.000 1.156 497 T CB -0.462 68.413 68.868 0.012 0.000 0.863 497 T HN 0.497 nan 8.240 nan 0.000 0.430 498 K N 0.744 121.156 120.400 0.019 0.000 2.189 498 K HA -0.173 4.146 4.320 -0.001 0.000 0.207 498 K C 2.293 178.912 176.600 0.031 0.000 1.046 498 K CA 1.670 57.971 56.287 0.023 0.000 0.928 498 K CB -0.335 32.186 32.500 0.035 0.000 0.720 498 K HN 0.370 nan 8.250 nan 0.000 0.458 499 V N -0.982 118.954 119.914 0.036 0.000 2.446 499 V HA -0.112 4.007 4.120 -0.001 0.000 0.244 499 V C 1.718 177.832 176.094 0.034 0.000 1.039 499 V CA 2.071 64.398 62.300 0.044 0.000 1.045 499 V CB -0.451 31.399 31.823 0.045 0.000 0.681 499 V HN 0.304 nan 8.190 nan 0.000 0.459 500 T N 0.892 115.459 114.554 0.023 0.000 2.720 500 T HA -0.176 4.174 4.350 -0.001 0.000 0.268 500 T C 2.067 176.769 174.700 0.004 0.000 1.037 500 T CA 2.072 64.182 62.100 0.016 0.000 1.144 500 T CB -0.439 68.437 68.868 0.014 0.000 0.864 500 T HN 0.505 nan 8.240 nan 0.000 0.444 501 R N 0.962 121.458 120.500 -0.007 0.000 2.075 501 R HA -0.003 4.336 4.340 -0.001 0.000 0.232 501 R C 2.446 178.700 176.300 -0.076 0.000 1.126 501 R CA 1.502 57.581 56.100 -0.036 0.000 0.963 501 R CB -0.605 29.673 30.300 -0.036 0.000 0.858 501 R HN 0.288 nan 8.270 nan 0.000 0.435 502 S N 0.819 116.485 115.700 -0.056 0.000 2.368 502 S HA -0.055 4.414 4.470 -0.001 0.000 0.224 502 S C 2.052 176.648 174.600 -0.007 0.000 1.029 502 S CA 1.079 59.213 58.200 -0.110 0.000 0.988 502 S CB -0.225 63.037 63.200 0.103 0.000 0.838 502 S HN 0.544 nan 8.310 nan 0.000 0.462 503 A N 1.679 124.540 122.820 0.069 0.000 1.917 503 A HA -0.095 4.224 4.320 -0.001 0.000 0.219 503 A C 2.103 179.713 177.584 0.043 0.000 1.182 503 A CA 1.288 53.377 52.037 0.087 0.000 0.633 503 A CB -0.789 18.246 19.000 0.059 0.000 0.819 503 A HN 0.464 nan 8.150 nan 0.000 0.448 504 L N -0.921 120.298 121.223 -0.006 0.000 2.027 504 L HA -0.222 4.118 4.340 -0.001 0.000 0.206 504 L C 2.768 179.608 176.870 -0.049 0.000 1.074 504 L CA 2.054 56.883 54.840 -0.019 0.000 0.745 504 L CB -0.662 41.381 42.059 -0.026 0.000 0.898 504 L HN 0.545 nan 8.230 nan 0.000 0.433 505 Q N -1.066 118.649 119.800 -0.141 0.000 2.030 505 Q HA -0.253 4.087 4.340 -0.001 0.000 0.204 505 Q C 2.067 177.961 176.000 -0.176 0.000 0.986 505 Q CA 2.139 57.804 55.803 -0.231 0.000 0.843 505 Q CB -0.242 28.244 28.738 -0.419 0.000 0.904 505 Q HN 0.469 nan 8.270 nan 0.000 0.420 506 Y N -0.133 120.171 120.300 0.006 0.000 2.242 506 Y HA -0.141 4.409 4.550 -0.000 0.000 0.291 506 Y C 2.292 178.195 175.900 0.005 0.000 1.137 506 Y CA 0.808 58.911 58.100 0.005 0.000 1.181 506 Y CB -0.864 37.598 38.460 0.003 0.000 0.989 506 Y HN 0.148 nan 8.280 nan 0.000 0.527 507 A N 0.214 123.124 122.820 0.151 0.000 1.858 507 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 507 A C 2.516 180.137 177.584 0.060 0.000 1.190 507 A CA 2.116 54.206 52.037 0.088 0.000 0.617 507 A CB -1.324 17.713 19.000 0.062 0.000 0.827 507 A HN 0.379 nan 8.150 nan 0.000 0.443 508 A N -0.903 121.940 122.820 0.038 0.000 1.908 508 A HA -0.138 4.182 4.320 -0.001 0.000 0.218 508 A C 2.480 180.083 177.584 0.031 0.000 1.181 508 A CA 2.299 54.350 52.037 0.023 0.000 0.627 508 A CB -1.098 17.905 19.000 0.004 0.000 0.818 508 A HN 0.564 nan 8.150 nan 0.000 0.445 509 S N -0.880 114.846 115.700 0.044 0.000 2.359 509 S HA -0.185 4.285 4.470 -0.001 0.000 0.223 509 S C 2.073 176.706 174.600 0.055 0.000 1.039 509 S CA 2.284 60.516 58.200 0.054 0.000 1.042 509 S CB -0.687 62.568 63.200 0.092 0.000 0.915 509 S HN 1.020 nan 8.310 nan 0.000 0.439 510 V N 1.100 121.052 119.914 0.065 0.000 2.346 510 V HA 0.173 4.292 4.120 -0.001 0.000 0.244 510 V C 2.436 178.552 176.094 0.036 0.000 1.037 510 V CA 1.775 64.103 62.300 0.047 0.000 1.029 510 V CB -1.418 30.431 31.823 0.044 0.000 0.663 510 V HN 0.513 nan 8.190 nan 0.000 0.454 511 A N 1.061 123.902 122.820 0.036 0.000 1.903 511 A HA -0.148 4.171 4.320 -0.001 0.000 0.219 511 A C 2.488 180.087 177.584 0.024 0.000 1.191 511 A CA 2.751 54.805 52.037 0.028 0.000 0.638 511 A CB -1.865 17.151 19.000 0.027 0.000 0.823 511 A HN 0.928 nan 8.150 nan 0.000 0.451 512 G N -0.357 108.457 108.800 0.024 0.000 2.599 512 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.219 512 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.219 512 G C 1.596 176.509 174.900 0.021 0.000 1.193 512 G CA 1.295 46.407 45.100 0.021 0.000 0.778 512 G HN 0.464 nan 8.290 nan 0.000 0.589 513 L N -0.292 120.945 121.223 0.024 0.000 2.017 513 L HA -0.057 4.282 4.340 -0.001 0.000 0.208 513 L C 3.181 180.064 176.870 0.023 0.000 1.073 513 L CA 1.180 56.034 54.840 0.023 0.000 0.745 513 L CB -0.264 41.809 42.059 0.024 0.000 0.894 513 L HN 0.254 nan 8.230 nan 0.000 0.432 514 M N -0.255 119.359 119.600 0.023 0.000 2.202 514 M HA -0.221 4.259 4.480 -0.001 0.000 0.262 514 M C 2.111 178.424 176.300 0.022 0.000 1.063 514 M CA 1.728 57.042 55.300 0.023 0.000 1.097 514 M CB -0.401 32.213 32.600 0.024 0.000 1.382 514 M HN 0.379 nan 8.290 nan 0.000 0.413 515 I N -2.310 118.273 120.570 0.021 0.000 3.564 515 I HA -0.006 4.164 4.170 -0.001 0.000 0.294 515 I C 1.511 177.640 176.117 0.020 0.000 1.289 515 I CA 0.946 62.258 61.300 0.019 0.000 1.325 515 I CB -0.525 37.485 38.000 0.017 0.000 1.039 515 I HN 0.136 nan 8.210 nan 0.000 0.474 516 T N -2.330 112.237 114.554 0.022 0.000 3.145 516 T HA 0.194 4.543 4.350 -0.001 0.000 0.255 516 T C 0.642 175.359 174.700 0.028 0.000 1.039 516 T CA -0.266 61.849 62.100 0.024 0.000 0.928 516 T CB -0.818 68.063 68.868 0.022 0.000 1.029 516 T HN 0.219 nan 8.240 nan 0.000 0.554 517 T N 2.737 117.308 114.554 0.028 0.000 2.853 517 T HA 0.196 4.545 4.350 -0.001 0.000 0.298 517 T C 0.813 175.535 174.700 0.038 0.000 0.978 517 T CA 0.026 62.144 62.100 0.030 0.000 1.152 517 T CB 1.293 70.177 68.868 0.027 0.000 0.914 517 T HN 0.403 nan 8.240 nan 0.000 0.539 518 E N 1.016 121.247 120.200 0.052 0.000 2.453 518 E HA 0.199 4.549 4.350 -0.001 0.000 0.211 518 E C 0.112 176.778 176.600 0.110 0.000 0.897 518 E CA -0.081 56.369 56.400 0.084 0.000 1.063 518 E CB 0.549 30.308 29.700 0.098 0.000 1.080 518 E HN 0.638 nan 8.360 nan 0.000 0.512 519 C N 0.116 119.440 119.300 0.040 0.000 3.090 519 C HA 0.785 5.244 4.460 -0.001 0.000 0.305 519 C C -1.568 173.364 174.990 -0.096 0.000 1.292 519 C CA -0.669 58.285 59.018 -0.106 0.000 1.482 519 C CB 0.807 28.477 27.740 -0.117 0.000 1.897 519 C HN 0.345 nan 8.230 nan 0.000 0.469 520 M N 4.150 123.670 119.600 -0.134 0.000 2.271 520 M HA 0.487 4.967 4.480 -0.001 0.000 0.285 520 M C -1.327 175.022 176.300 0.082 0.000 1.059 520 M CA -0.403 54.921 55.300 0.040 0.000 0.940 520 M CB 2.132 34.851 32.600 0.200 0.000 1.636 520 M HN 0.411 nan 8.290 nan 0.000 0.460 521 V N 1.717 121.642 119.914 0.019 0.000 2.448 521 V HA 0.825 4.945 4.120 -0.001 0.000 0.295 521 V C -0.184 175.850 176.094 -0.100 0.000 1.025 521 V CA -0.293 61.994 62.300 -0.023 0.000 0.859 521 V CB 1.870 33.667 31.823 -0.043 0.000 0.988 521 V HN 0.952 nan 8.190 nan 0.000 0.431 522 T N 2.213 116.657 114.554 -0.184 0.000 2.671 522 T HA 0.387 4.736 4.350 -0.001 0.000 0.300 522 T C -1.564 173.006 174.700 -0.218 0.000 1.238 522 T CA -0.521 61.411 62.100 -0.280 0.000 1.020 522 T CB 1.947 70.483 68.868 -0.554 0.000 1.503 522 T HN 0.598 nan 8.240 nan 0.000 0.497 523 D N 1.206 121.487 120.400 -0.199 0.000 2.329 523 D HA 0.422 5.061 4.640 -0.001 0.000 0.246 523 D C 0.117 176.346 176.300 -0.118 0.000 1.111 523 D CA -0.116 53.809 54.000 -0.125 0.000 0.941 523 D CB 0.520 41.261 40.800 -0.098 0.000 1.169 523 D HN 0.409 nan 8.370 nan 0.000 0.441 524 L N 2.884 124.071 121.223 -0.060 0.000 2.456 524 L HA 0.179 4.518 4.340 -0.001 0.000 0.272 524 L C -1.373 175.478 176.870 -0.033 0.000 1.189 524 L CA -1.327 53.495 54.840 -0.029 0.000 0.846 524 L CB 0.121 42.176 42.059 -0.007 0.000 1.111 524 L HN 0.339 nan 8.230 nan 0.000 0.475 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.093 63.100 -0.012 0.000 0.800 525 P CB 0.000 31.706 31.700 0.010 0.000 0.726