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 1xck_1_B 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 0.000 177.583 177.584 -0.002 0.000 1.274 2 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 3 A N 1.918 124.739 122.820 0.002 0.000 2.567 3 A HA 0.500 4.820 4.320 -0.000 0.000 0.240 3 A C 0.329 177.916 177.584 0.006 0.000 1.053 3 A CA 0.490 52.532 52.037 0.009 0.000 0.755 3 A CB -0.126 18.882 19.000 0.013 0.000 0.978 3 A HN 0.615 nan 8.150 nan 0.000 0.507 4 K N 1.251 121.659 120.400 0.013 0.000 2.211 4 K HA 0.454 4.774 4.320 -0.000 0.000 0.237 4 K C -1.066 175.558 176.600 0.040 0.000 1.002 4 K CA -0.692 55.601 56.287 0.010 0.000 0.885 4 K CB 1.315 33.819 32.500 0.007 0.000 1.136 4 K HN 0.717 nan 8.250 nan 0.000 0.448 5 D N 0.961 121.394 120.400 0.055 0.000 2.425 5 D HA 0.309 4.949 4.640 -0.000 0.000 0.240 5 D C -1.312 175.129 176.300 0.234 0.000 1.080 5 D CA -0.557 53.536 54.000 0.154 0.000 0.836 5 D CB 1.121 42.043 40.800 0.203 0.000 1.125 5 D HN 0.046 nan 8.370 nan 0.000 0.525 6 V N 4.529 124.535 119.914 0.153 0.000 2.417 6 V HA 0.459 4.579 4.120 -0.000 0.000 0.291 6 V C 0.267 176.277 176.094 -0.140 0.000 1.024 6 V CA -0.737 61.568 62.300 0.008 0.000 0.861 6 V CB 1.679 33.460 31.823 -0.070 0.000 0.985 6 V HN 0.362 nan 8.190 nan 0.000 0.436 7 K N 3.664 123.865 120.400 -0.331 0.000 2.318 7 K HA 0.742 5.061 4.320 -0.000 0.000 0.249 7 K C -1.492 174.767 176.600 -0.568 0.000 0.942 7 K CA -0.481 55.553 56.287 -0.422 0.000 0.808 7 K CB 2.386 34.459 32.500 -0.712 0.000 1.189 7 K HN 0.448 nan 8.250 nan 0.000 0.428 8 F N -0.292 119.606 119.950 -0.087 0.000 2.618 8 F HA 0.398 4.925 4.527 -0.000 0.000 0.332 8 F C 1.393 177.161 175.800 -0.054 0.000 1.061 8 F CA -0.074 57.898 58.000 -0.048 0.000 0.974 8 F CB 1.253 40.235 39.000 -0.030 0.000 1.310 8 F HN 0.812 nan 8.300 nan 0.000 0.491 9 G N 1.375 110.285 108.800 0.183 0.000 2.648 9 G HA2 -0.463 3.497 3.960 -0.000 0.000 0.357 9 G HA3 -0.463 3.497 3.960 -0.000 0.000 0.357 9 G C 1.312 176.232 174.900 0.032 0.000 1.342 9 G CA 1.006 46.158 45.100 0.088 0.000 0.978 9 G HN 0.829 nan 8.290 nan 0.000 0.532 10 N N 0.521 119.234 118.700 0.022 0.000 2.094 10 N HA -0.203 4.537 4.740 -0.000 0.000 0.191 10 N C 1.899 177.396 175.510 -0.022 0.000 1.023 10 N CA 2.413 55.463 53.050 0.001 0.000 0.857 10 N CB -0.372 38.115 38.487 0.001 0.000 1.013 10 N HN 0.591 nan 8.380 nan 0.000 0.426 11 D N 0.166 120.548 120.400 -0.029 0.000 2.123 11 D HA -0.088 4.552 4.640 -0.000 0.000 0.196 11 D C 1.814 178.032 176.300 -0.137 0.000 0.992 11 D CA 1.549 55.504 54.000 -0.076 0.000 0.833 11 D CB -0.270 40.485 40.800 -0.075 0.000 0.954 11 D HN 0.397 nan 8.370 nan 0.000 0.455 12 A N 0.314 123.053 122.820 -0.136 0.000 1.873 12 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 12 A C 2.328 179.872 177.584 -0.068 0.000 1.186 12 A CA 1.325 53.263 52.037 -0.165 0.000 0.616 12 A CB -0.484 18.440 19.000 -0.127 0.000 0.823 12 A HN 0.193 nan 8.150 nan 0.000 0.442 13 R N -0.177 120.302 120.500 -0.033 0.000 2.105 13 R HA -0.140 4.200 4.340 -0.000 0.000 0.239 13 R C 2.135 178.430 176.300 -0.008 0.000 1.135 13 R CA 1.716 57.811 56.100 -0.009 0.000 0.967 13 R CB -0.785 29.515 30.300 -0.001 0.000 0.861 13 R HN 0.601 nan 8.270 nan 0.000 0.442 14 V N -0.479 119.423 119.914 -0.019 0.000 2.407 14 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 14 V C 1.992 178.083 176.094 -0.005 0.000 1.055 14 V CA 1.429 63.721 62.300 -0.012 0.000 1.049 14 V CB -0.439 31.373 31.823 -0.018 0.000 0.662 14 V HN 0.080 nan 8.190 nan 0.000 0.455 15 K N 0.098 120.489 120.400 -0.015 0.000 2.032 15 K HA -0.088 4.232 4.320 -0.000 0.000 0.209 15 K C 2.257 178.888 176.600 0.051 0.000 1.048 15 K CA 2.247 58.547 56.287 0.022 0.000 0.927 15 K CB -0.582 31.931 32.500 0.022 0.000 0.712 15 K HN 0.537 nan 8.250 nan 0.000 0.441 16 M N 0.255 119.883 119.600 0.047 0.000 2.065 16 M HA -0.211 4.269 4.480 -0.000 0.000 0.259 16 M C 2.294 178.612 176.300 0.030 0.000 1.069 16 M CA 1.258 56.586 55.300 0.047 0.000 1.110 16 M CB -0.461 32.162 32.600 0.039 0.000 1.328 16 M HN 0.046 nan 8.290 nan 0.000 0.405 17 L N 0.702 121.937 121.223 0.020 0.000 1.990 17 L HA -0.243 4.097 4.340 -0.000 0.000 0.213 17 L C 2.488 179.367 176.870 0.015 0.000 1.072 17 L CA 2.076 56.925 54.840 0.015 0.000 0.755 17 L CB -0.803 41.262 42.059 0.010 0.000 0.889 17 L HN 0.195 nan 8.230 nan 0.000 0.432 18 R N -0.339 120.170 120.500 0.016 0.000 2.119 18 R HA -0.147 4.193 4.340 -0.000 0.000 0.246 18 R C 2.166 178.477 176.300 0.018 0.000 1.146 18 R CA 1.926 58.036 56.100 0.016 0.000 0.962 18 R CB -1.255 29.056 30.300 0.018 0.000 0.863 18 R HN 0.520 nan 8.270 nan 0.000 0.442 19 G N -0.352 108.463 108.800 0.024 0.000 2.402 19 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 19 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 19 G C 1.420 176.328 174.900 0.013 0.000 1.162 19 G CA 0.856 45.969 45.100 0.021 0.000 0.777 19 G HN 0.379 nan 8.290 nan 0.000 0.539 20 V N 0.071 119.994 119.914 0.013 0.000 2.809 20 V HA -0.049 4.071 4.120 -0.000 0.000 0.256 20 V C 2.101 178.199 176.094 0.007 0.000 1.080 20 V CA 2.018 64.324 62.300 0.009 0.000 1.102 20 V CB -0.468 31.361 31.823 0.011 0.000 0.705 20 V HN 0.202 nan 8.190 nan 0.000 0.475 21 N N 0.880 119.584 118.700 0.008 0.000 2.188 21 N HA -0.085 4.655 4.740 -0.000 0.000 0.184 21 N C 1.808 177.320 175.510 0.003 0.000 1.018 21 N CA 1.797 54.850 53.050 0.005 0.000 0.858 21 N CB -0.349 38.142 38.487 0.006 0.000 0.989 21 N HN 0.513 nan 8.380 nan 0.000 0.426 22 V N 1.677 121.593 119.914 0.004 0.000 2.295 22 V HA -0.190 3.930 4.120 -0.000 0.000 0.246 22 V C 2.438 178.531 176.094 -0.002 0.000 1.049 22 V CA 1.116 63.417 62.300 0.001 0.000 1.024 22 V CB -0.629 31.194 31.823 0.001 0.000 0.648 22 V HN 0.189 nan 8.190 nan 0.000 0.447 23 L N 1.098 122.319 121.223 -0.002 0.000 1.970 23 L HA -0.131 4.209 4.340 -0.000 0.000 0.212 23 L C 2.461 179.329 176.870 -0.004 0.000 1.071 23 L CA 2.618 57.456 54.840 -0.005 0.000 0.751 23 L CB -1.065 40.991 42.059 -0.005 0.000 0.889 23 L HN 0.210 nan 8.230 nan 0.000 0.432 24 A N -0.752 122.067 122.820 -0.001 0.000 1.877 24 A HA -0.229 4.091 4.320 -0.000 0.000 0.216 24 A C 1.995 179.578 177.584 -0.001 0.000 1.186 24 A CA 1.940 53.977 52.037 -0.001 0.000 0.620 24 A CB -0.988 18.013 19.000 0.002 0.000 0.822 24 A HN 0.597 nan 8.150 nan 0.000 0.443 25 D N 0.080 120.480 120.400 -0.001 0.000 2.144 25 D HA -0.042 4.598 4.640 -0.000 0.000 0.199 25 D C 2.173 178.471 176.300 -0.003 0.000 0.984 25 D CA 1.473 55.472 54.000 -0.001 0.000 0.834 25 D CB -0.426 40.374 40.800 -0.001 0.000 0.955 25 D HN 0.444 nan 8.370 nan 0.000 0.465 26 A N 0.423 123.240 122.820 -0.004 0.000 1.898 26 A HA -0.090 4.229 4.320 -0.000 0.000 0.216 26 A C 2.486 180.066 177.584 -0.007 0.000 1.181 26 A CA 1.001 53.035 52.037 -0.006 0.000 0.620 26 A CB -0.540 18.456 19.000 -0.007 0.000 0.819 26 A HN 0.149 nan 8.150 nan 0.000 0.442 27 V N 1.112 121.022 119.914 -0.007 0.000 2.407 27 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 27 V C 2.472 178.562 176.094 -0.006 0.000 1.041 27 V CA 2.084 64.379 62.300 -0.008 0.000 1.040 27 V CB -0.596 31.222 31.823 -0.009 0.000 0.671 27 V HN 0.842 nan 8.190 nan 0.000 0.455 28 K N 1.521 121.919 120.400 -0.004 0.000 2.360 28 K HA -0.101 4.219 4.320 -0.000 0.000 0.201 28 K C 1.680 178.279 176.600 -0.002 0.000 1.046 28 K CA 1.676 57.961 56.287 -0.003 0.000 0.945 28 K CB -0.650 31.850 32.500 -0.001 0.000 0.750 28 K HN 0.497 nan 8.250 nan 0.000 0.464 29 V N -0.351 119.561 119.914 -0.003 0.000 3.444 29 V HA -0.076 4.044 4.120 -0.000 0.000 0.271 29 V C 1.888 177.980 176.094 -0.003 0.000 1.188 29 V CA 1.431 63.730 62.300 -0.003 0.000 1.168 29 V CB -0.904 30.917 31.823 -0.003 0.000 0.810 29 V HN 0.541 nan 8.190 nan 0.000 0.500 30 T N -2.732 111.819 114.554 -0.005 0.000 3.044 30 T HA 0.276 4.626 4.350 -0.000 0.000 0.250 30 T C 0.617 175.313 174.700 -0.006 0.000 1.081 30 T CA -0.158 61.939 62.100 -0.006 0.000 1.040 30 T CB -0.087 68.776 68.868 -0.008 0.000 0.962 30 T HN 0.333 nan 8.240 nan 0.000 0.506 31 L N 2.992 124.212 121.223 -0.004 0.000 2.540 31 L HA 0.477 4.817 4.340 -0.000 0.000 0.276 31 L C 0.968 177.837 176.870 -0.002 0.000 1.212 31 L CA 1.610 56.448 54.840 -0.003 0.000 0.893 31 L CB -0.781 41.277 42.059 -0.001 0.000 1.138 31 L HN 0.770 nan 8.230 nan 0.000 0.491 32 G N 4.734 113.531 108.800 -0.005 0.000 2.760 32 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.246 32 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.246 32 G C -1.979 172.914 174.900 -0.011 0.000 1.359 32 G CA -0.194 44.902 45.100 -0.006 0.000 0.861 32 G HN 0.654 nan 8.290 nan 0.000 0.541 33 P HA 0.162 nan 4.420 nan 0.000 0.245 33 P C 0.700 177.991 177.300 -0.016 0.000 1.206 33 P CA 0.782 63.870 63.100 -0.021 0.000 0.781 33 P CB 0.276 31.954 31.700 -0.035 0.000 0.994 34 K N 0.542 120.938 120.400 -0.008 0.000 2.514 34 K HA 0.265 4.585 4.320 -0.000 0.000 0.207 34 K C 0.993 177.592 176.600 -0.002 0.000 1.035 34 K CA -0.210 56.075 56.287 -0.004 0.000 1.113 34 K CB 0.466 32.968 32.500 0.004 0.000 0.846 34 K HN 0.047 nan 8.250 nan 0.000 0.491 35 G N 1.572 110.370 108.800 -0.004 0.000 2.491 35 G HA2 0.055 4.015 3.960 -0.000 0.000 0.238 35 G HA3 0.055 4.015 3.960 -0.000 0.000 0.238 35 G C 0.264 175.162 174.900 -0.004 0.000 1.277 35 G CA -0.330 44.768 45.100 -0.004 0.000 0.851 35 G HN 0.063 nan 8.290 nan 0.000 0.573 36 R N 0.777 121.275 120.500 -0.003 0.000 2.541 36 R HA 0.211 4.550 4.340 -0.000 0.000 0.263 36 R C 0.067 176.365 176.300 -0.005 0.000 1.112 36 R CA -0.678 55.420 56.100 -0.003 0.000 1.170 36 R CB 0.212 30.511 30.300 -0.002 0.000 1.167 36 R HN 0.648 nan 8.270 nan 0.000 0.582 37 N N -0.975 117.723 118.700 -0.004 0.000 2.473 37 N HA 0.331 5.071 4.740 -0.000 0.000 0.291 37 N C -1.067 174.440 175.510 -0.005 0.000 1.083 37 N CA -0.477 52.570 53.050 -0.005 0.000 0.951 37 N CB 1.562 40.047 38.487 -0.004 0.000 1.164 37 N HN 0.062 nan 8.380 nan 0.000 0.480 38 V N 2.186 122.096 119.914 -0.006 0.000 2.540 38 V HA 0.327 4.447 4.120 -0.000 0.000 0.302 38 V C -0.378 175.712 176.094 -0.007 0.000 1.035 38 V CA -0.798 61.498 62.300 -0.007 0.000 0.873 38 V CB 1.805 33.623 31.823 -0.008 0.000 0.992 38 V HN 0.335 nan 8.190 nan 0.000 0.428 39 V N 6.496 126.406 119.914 -0.007 0.000 2.364 39 V HA 0.421 4.541 4.120 -0.000 0.000 0.272 39 V C -0.104 175.984 176.094 -0.009 0.000 1.036 39 V CA -0.376 61.920 62.300 -0.007 0.000 0.880 39 V CB 1.230 33.050 31.823 -0.006 0.000 0.991 39 V HN 0.601 nan 8.190 nan 0.000 0.460 40 L N 4.004 125.221 121.223 -0.009 0.000 2.280 40 L HA 0.496 4.836 4.340 -0.000 0.000 0.287 40 L C -0.166 176.695 176.870 -0.014 0.000 1.023 40 L CA -0.521 54.311 54.840 -0.013 0.000 0.819 40 L CB 1.539 43.591 42.059 -0.012 0.000 1.212 40 L HN 0.540 nan 8.230 nan 0.000 0.420 41 D N 3.422 123.810 120.400 -0.020 0.000 2.350 41 D HA 0.225 4.865 4.640 -0.000 0.000 0.249 41 D C -0.606 175.673 176.300 -0.036 0.000 1.119 41 D CA 0.074 54.059 54.000 -0.025 0.000 0.886 41 D CB 0.937 41.719 40.800 -0.031 0.000 1.195 41 D HN 0.317 nan 8.370 nan 0.000 0.437 42 K N 1.325 121.705 120.400 -0.034 0.000 2.292 42 K HA 0.222 4.542 4.320 -0.000 0.000 0.257 42 K C 1.187 177.727 176.600 -0.101 0.000 0.940 42 K CA -0.568 55.690 56.287 -0.048 0.000 0.811 42 K CB 1.643 34.146 32.500 0.005 0.000 1.120 42 K HN 0.379 nan 8.250 nan 0.000 0.428 43 S N 1.905 117.469 115.700 -0.227 0.000 2.402 43 S HA -0.134 4.336 4.470 -0.000 0.000 0.233 43 S C 0.429 174.789 174.600 -0.400 0.000 1.030 43 S CA 0.993 58.955 58.200 -0.396 0.000 1.003 43 S CB -0.341 62.463 63.200 -0.660 0.000 0.813 43 S HN 0.382 nan 8.310 nan 0.000 0.477 44 F N 2.621 122.568 119.950 -0.005 0.000 2.411 44 F HA 0.677 5.204 4.527 -0.000 0.000 0.352 44 F C 1.281 177.078 175.800 -0.004 0.000 1.123 44 F CA -0.322 57.675 58.000 -0.004 0.000 1.044 44 F CB 0.911 39.909 39.000 -0.004 0.000 1.135 44 F HN 0.446 nan 8.300 nan 0.000 0.461 45 G N 1.630 110.544 108.800 0.191 0.000 2.512 45 G HA2 0.138 4.098 3.960 -0.000 0.000 0.240 45 G HA3 0.138 4.098 3.960 -0.000 0.000 0.240 45 G C -0.542 174.394 174.900 0.060 0.000 1.246 45 G CA -0.498 44.664 45.100 0.103 0.000 0.919 45 G HN 1.072 nan 8.290 nan 0.000 0.577 46 A N 1.003 123.849 122.820 0.043 0.000 2.302 46 A HA 0.804 5.124 4.320 -0.000 0.000 0.285 46 A C -1.488 176.108 177.584 0.020 0.000 1.105 46 A CA -0.302 51.751 52.037 0.026 0.000 0.816 46 A CB 0.212 19.224 19.000 0.020 0.000 1.067 46 A HN 0.687 nan 8.150 nan 0.000 0.489 47 P HA 0.257 nan 4.420 nan 0.000 0.271 47 P C -0.330 176.973 177.300 0.006 0.000 1.244 47 P CA 0.052 63.155 63.100 0.004 0.000 0.793 47 P CB 0.422 32.121 31.700 -0.001 0.000 0.984 48 T N 1.476 116.031 114.554 0.002 0.000 2.795 48 T HA 0.499 4.849 4.350 -0.000 0.000 0.282 48 T C 0.187 174.887 174.700 -0.001 0.000 0.980 48 T CA -0.271 61.830 62.100 0.002 0.000 1.012 48 T CB 0.035 68.904 68.868 0.001 0.000 0.936 48 T HN 0.158 nan 8.240 nan 0.000 0.457 49 I N 2.690 123.259 120.570 -0.001 0.000 2.359 49 I HA 0.554 4.724 4.170 -0.000 0.000 0.294 49 I C 0.495 176.610 176.117 -0.004 0.000 0.987 49 I CA -0.490 60.809 61.300 -0.002 0.000 1.225 49 I CB 1.804 39.803 38.000 -0.002 0.000 1.366 49 I HN 0.517 nan 8.210 nan 0.000 0.466 50 T N 4.279 118.830 114.554 -0.005 0.000 2.843 50 T HA 0.394 4.744 4.350 -0.000 0.000 0.302 50 T C -0.242 174.454 174.700 -0.007 0.000 1.232 50 T CA -0.598 61.498 62.100 -0.006 0.000 1.009 50 T CB 1.760 70.624 68.868 -0.008 0.000 1.254 50 T HN 0.687 nan 8.240 nan 0.000 0.504 51 K N 1.133 121.528 120.400 -0.008 0.000 2.469 51 K HA 0.204 4.524 4.320 -0.000 0.000 0.204 51 K C -0.767 175.827 176.600 -0.011 0.000 1.047 51 K CA -0.312 55.970 56.287 -0.009 0.000 1.072 51 K CB 0.574 33.069 32.500 -0.009 0.000 0.863 51 K HN 0.432 nan 8.250 nan 0.000 0.530 52 D N 0.367 120.759 120.400 -0.012 0.000 2.380 52 D HA 0.108 4.748 4.640 -0.000 0.000 0.230 52 D C 1.197 177.487 176.300 -0.016 0.000 1.154 52 D CA -0.125 53.867 54.000 -0.015 0.000 0.859 52 D CB 1.264 42.055 40.800 -0.015 0.000 1.045 52 D HN 0.209 nan 8.370 nan 0.000 0.495 53 G N 2.521 111.310 108.800 -0.017 0.000 2.450 53 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 53 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 53 G C 1.503 176.390 174.900 -0.021 0.000 1.130 53 G CA 0.716 45.805 45.100 -0.017 0.000 0.760 53 G HN 0.487 nan 8.290 nan 0.000 0.557 54 V N 0.917 120.816 119.914 -0.025 0.000 2.427 54 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 54 V C 3.075 179.153 176.094 -0.026 0.000 1.051 54 V CA 2.142 64.424 62.300 -0.030 0.000 1.048 54 V CB -0.377 31.424 31.823 -0.035 0.000 0.666 54 V HN 0.370 nan 8.190 nan 0.000 0.456 55 S N -0.041 115.647 115.700 -0.021 0.000 2.355 55 S HA -0.157 4.313 4.470 -0.000 0.000 0.222 55 S C 2.052 176.641 174.600 -0.018 0.000 1.031 55 S CA 1.480 59.669 58.200 -0.018 0.000 0.993 55 S CB -0.237 62.955 63.200 -0.015 0.000 0.859 55 S HN 0.374 nan 8.310 nan 0.000 0.453 56 V N 2.364 122.267 119.914 -0.017 0.000 2.255 56 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 56 V C 2.725 178.808 176.094 -0.018 0.000 1.051 56 V CA 1.831 64.121 62.300 -0.016 0.000 1.018 56 V CB -1.347 30.467 31.823 -0.014 0.000 0.641 56 V HN 0.549 nan 8.190 nan 0.000 0.445 57 A N -0.480 122.328 122.820 -0.020 0.000 1.917 57 A HA -0.294 4.026 4.320 -0.000 0.000 0.219 57 A C 2.403 179.972 177.584 -0.024 0.000 1.182 57 A CA 2.154 54.178 52.037 -0.022 0.000 0.633 57 A CB -0.650 18.335 19.000 -0.025 0.000 0.819 57 A HN 0.467 nan 8.150 nan 0.000 0.448 58 R N -0.615 119.870 120.500 -0.025 0.000 2.117 58 R HA -0.144 4.196 4.340 -0.000 0.000 0.243 58 R C 1.546 177.831 176.300 -0.025 0.000 1.143 58 R CA 1.526 57.610 56.100 -0.026 0.000 0.968 58 R CB -0.147 30.138 30.300 -0.025 0.000 0.863 58 R HN 0.506 nan 8.270 nan 0.000 0.444 59 E N 0.116 120.302 120.200 -0.023 0.000 2.427 59 E HA -0.029 4.321 4.350 -0.000 0.000 0.196 59 E C 0.267 176.853 176.600 -0.023 0.000 1.028 59 E CA 0.284 56.670 56.400 -0.023 0.000 0.864 59 E CB 0.172 29.859 29.700 -0.022 0.000 0.813 59 E HN 0.209 nan 8.360 nan 0.000 0.514 60 I N 1.954 122.511 120.570 -0.021 0.000 2.379 60 I HA 0.147 4.317 4.170 -0.000 0.000 0.290 60 I C 0.329 176.434 176.117 -0.021 0.000 1.063 60 I CA 0.149 61.437 61.300 -0.019 0.000 1.351 60 I CB 0.234 38.225 38.000 -0.016 0.000 1.410 60 I HN -0.072 nan 8.210 nan 0.000 0.505 61 E N 7.093 127.280 120.200 -0.021 0.000 2.291 61 E HA 0.466 4.816 4.350 -0.000 0.000 0.276 61 E C -1.648 174.941 176.600 -0.020 0.000 0.896 61 E CA -0.576 55.810 56.400 -0.023 0.000 0.774 61 E CB 1.931 31.615 29.700 -0.027 0.000 1.227 61 E HN 0.440 nan 8.360 nan 0.000 0.413 62 L N 3.393 124.606 121.223 -0.017 0.000 2.360 62 L HA 0.374 4.714 4.340 -0.000 0.000 0.271 62 L C 1.528 178.389 176.870 -0.016 0.000 1.057 62 L CA -0.398 54.435 54.840 -0.012 0.000 0.803 62 L CB 1.405 43.462 42.059 -0.003 0.000 1.207 62 L HN 0.742 nan 8.230 nan 0.000 0.445 63 E N 0.855 121.048 120.200 -0.011 0.000 2.072 63 E HA -0.168 4.182 4.350 -0.000 0.000 0.190 63 E C 0.546 177.140 176.600 -0.010 0.000 0.982 63 E CA 0.454 56.846 56.400 -0.013 0.000 0.803 63 E CB 0.263 29.959 29.700 -0.007 0.000 0.755 63 E HN 0.674 nan 8.360 nan 0.000 0.453 64 D N 0.677 121.082 120.400 0.008 0.000 2.401 64 D HA -0.067 4.573 4.640 -0.000 0.000 0.254 64 D C 0.663 176.960 176.300 -0.005 0.000 1.192 64 D CA 0.015 54.033 54.000 0.030 0.000 0.885 64 D CB 0.954 41.796 40.800 0.069 0.000 1.147 64 D HN 0.013 nan 8.370 nan 0.000 0.478 65 K N 3.660 124.016 120.400 -0.073 0.000 2.074 65 K HA -0.177 4.143 4.320 -0.000 0.000 0.209 65 K C 1.926 178.373 176.600 -0.256 0.000 1.048 65 K CA 1.249 57.406 56.287 -0.216 0.000 0.926 65 K CB -0.448 31.823 32.500 -0.380 0.000 0.713 65 K HN 0.503 nan 8.250 nan 0.000 0.444 66 F N 1.675 121.611 119.950 -0.023 0.000 2.084 66 F HA -0.091 4.436 4.527 0.000 0.000 0.296 66 F C 2.455 178.242 175.800 -0.021 0.000 1.111 66 F CA 1.185 59.169 58.000 -0.027 0.000 1.224 66 F CB -0.555 38.428 39.000 -0.028 0.000 0.991 66 F HN 0.123 nan 8.300 nan 0.000 0.471 67 E N -0.048 120.251 120.200 0.165 0.000 2.118 67 E HA -0.279 4.071 4.350 -0.000 0.000 0.195 67 E C 1.846 178.469 176.600 0.039 0.000 0.992 67 E CA 1.418 57.869 56.400 0.085 0.000 0.804 67 E CB -0.380 29.358 29.700 0.062 0.000 0.741 67 E HN 0.331 nan 8.360 nan 0.000 0.458 68 N N 0.475 119.183 118.700 0.012 0.000 2.166 68 N HA -0.144 4.595 4.740 -0.000 0.000 0.186 68 N C 1.727 177.226 175.510 -0.018 0.000 1.019 68 N CA 1.155 54.197 53.050 -0.014 0.000 0.856 68 N CB 0.015 38.479 38.487 -0.038 0.000 0.993 68 N HN 0.071 nan 8.380 nan 0.000 0.426 69 M N -0.779 118.807 119.600 -0.023 0.000 2.159 69 M HA -0.032 4.448 4.480 -0.000 0.000 0.263 69 M C 2.103 178.406 176.300 0.005 0.000 1.063 69 M CA 1.617 56.905 55.300 -0.020 0.000 1.110 69 M CB -0.430 32.156 32.600 -0.023 0.000 1.374 69 M HN 0.334 nan 8.290 nan 0.000 0.411 70 G N -0.276 108.538 108.800 0.024 0.000 2.421 70 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.216 70 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.216 70 G C 1.600 176.506 174.900 0.011 0.000 1.171 70 G CA 0.938 46.053 45.100 0.024 0.000 0.775 70 G HN 0.538 nan 8.290 nan 0.000 0.543 71 A N 0.096 122.920 122.820 0.006 0.000 1.877 71 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 71 A C 2.406 179.985 177.584 -0.008 0.000 1.186 71 A CA 1.958 53.995 52.037 -0.001 0.000 0.620 71 A CB -0.408 18.590 19.000 -0.004 0.000 0.822 71 A HN 0.289 nan 8.150 nan 0.000 0.443 72 Q N -0.511 119.282 119.800 -0.013 0.000 2.170 72 Q HA -0.126 4.214 4.340 -0.000 0.000 0.203 72 Q C 2.117 178.107 176.000 -0.016 0.000 0.976 72 Q CA 1.518 57.310 55.803 -0.018 0.000 0.858 72 Q CB -0.573 28.150 28.738 -0.024 0.000 0.907 72 Q HN 0.781 nan 8.270 nan 0.000 0.433 73 M N -0.173 119.422 119.600 -0.008 0.000 2.077 73 M HA -0.137 4.343 4.480 -0.000 0.000 0.261 73 M C 2.289 178.587 176.300 -0.003 0.000 1.070 73 M CA 1.633 56.931 55.300 -0.003 0.000 1.125 73 M CB -0.480 32.123 32.600 0.006 0.000 1.339 73 M HN 0.195 nan 8.290 nan 0.000 0.409 74 V N -0.997 118.917 119.914 -0.000 0.000 2.548 74 V HA -0.182 3.938 4.120 -0.000 0.000 0.249 74 V C 2.065 178.150 176.094 -0.016 0.000 1.055 74 V CA 1.769 64.069 62.300 0.000 0.000 1.065 74 V CB -0.738 31.089 31.823 0.006 0.000 0.681 74 V HN 0.442 nan 8.190 nan 0.000 0.462 75 K N 0.066 120.454 120.400 -0.020 0.000 2.032 75 K HA -0.254 4.066 4.320 -0.000 0.000 0.209 75 K C 2.391 178.963 176.600 -0.048 0.000 1.048 75 K CA 2.166 58.434 56.287 -0.031 0.000 0.927 75 K CB -0.277 32.207 32.500 -0.027 0.000 0.712 75 K HN 0.703 nan 8.250 nan 0.000 0.441 76 E N 0.014 120.188 120.200 -0.045 0.000 2.072 76 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 76 E C 1.900 178.441 176.600 -0.097 0.000 0.985 76 E CA 1.212 57.576 56.400 -0.059 0.000 0.801 76 E CB 0.198 29.874 29.700 -0.040 0.000 0.750 76 E HN 0.141 nan 8.360 nan 0.000 0.452 77 V N 1.116 120.982 119.914 -0.081 0.000 2.379 77 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 77 V C 2.458 178.417 176.094 -0.225 0.000 1.044 77 V CA 1.626 63.852 62.300 -0.124 0.000 1.036 77 V CB -0.644 31.184 31.823 0.009 0.000 0.664 77 V HN 0.337 nan 8.190 nan 0.000 0.453 78 A N 0.734 123.485 122.820 -0.117 0.000 1.972 78 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 78 A C 2.551 180.039 177.584 -0.160 0.000 1.169 78 A CA 2.136 54.110 52.037 -0.106 0.000 0.635 78 A CB -0.716 18.256 19.000 -0.046 0.000 0.810 78 A HN 0.683 nan 8.150 nan 0.000 0.446 79 S N 0.043 115.648 115.700 -0.158 0.000 2.399 79 S HA -0.191 4.279 4.470 -0.000 0.000 0.231 79 S C 1.796 176.268 174.600 -0.213 0.000 1.022 79 S CA 1.504 59.616 58.200 -0.146 0.000 0.983 79 S CB -0.398 62.737 63.200 -0.109 0.000 0.803 79 S HN 0.617 nan 8.310 nan 0.000 0.480 80 K N 1.445 121.624 120.400 -0.369 0.000 2.147 80 K HA 0.080 4.399 4.320 -0.000 0.000 0.205 80 K C 2.518 178.842 176.600 -0.462 0.000 1.049 80 K CA 1.071 57.053 56.287 -0.509 0.000 0.936 80 K CB -0.539 31.411 32.500 -0.917 0.000 0.722 80 K HN 0.528 nan 8.250 nan 0.000 0.446 81 A N 1.728 124.291 122.820 -0.428 0.000 1.902 81 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 81 A C 1.918 179.482 177.584 -0.033 0.000 1.181 81 A CA 1.965 53.975 52.037 -0.044 0.000 0.623 81 A CB -0.655 18.379 19.000 0.056 0.000 0.818 81 A HN 0.284 nan 8.150 nan 0.000 0.443 82 N N -0.027 118.619 118.700 -0.089 0.000 2.120 82 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 82 N C 1.208 176.652 175.510 -0.111 0.000 1.024 82 N CA 1.553 54.544 53.050 -0.098 0.000 0.852 82 N CB -0.161 38.266 38.487 -0.101 0.000 1.003 82 N HN 0.422 nan 8.380 nan 0.000 0.424 83 D N -0.112 120.236 120.400 -0.086 0.000 2.117 83 D HA -0.104 4.535 4.640 -0.000 0.000 0.197 83 D C 1.759 178.080 176.300 0.034 0.000 0.987 83 D CA 1.201 55.179 54.000 -0.037 0.000 0.829 83 D CB -0.440 40.336 40.800 -0.040 0.000 0.961 83 D HN 0.357 nan 8.370 nan 0.000 0.460 84 A N 0.611 123.461 122.820 0.050 0.000 1.873 84 A HA 0.127 4.447 4.320 -0.000 0.000 0.215 84 A C 2.048 179.711 177.584 0.132 0.000 1.186 84 A CA 2.043 54.151 52.037 0.118 0.000 0.616 84 A CB -0.178 18.935 19.000 0.187 0.000 0.823 84 A HN 0.246 nan 8.150 nan 0.000 0.442 85 A N -2.799 120.068 122.820 0.078 0.000 2.508 85 A HA 0.476 4.796 4.320 -0.000 0.000 0.250 85 A C 1.513 179.080 177.584 -0.029 0.000 1.208 85 A CA 0.986 53.068 52.037 0.075 0.000 0.960 85 A CB -0.341 18.697 19.000 0.064 0.000 1.099 85 A HN 1.897 nan 8.150 nan 0.000 0.542 86 G N -0.581 108.069 108.800 -0.249 0.000 2.143 86 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.248 86 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.248 86 G C -0.170 174.597 174.900 -0.221 0.000 0.991 86 G CA 0.734 45.526 45.100 -0.513 0.000 0.689 86 G HN 0.953 nan 8.290 nan 0.000 0.522 87 D N -3.400 116.929 120.400 -0.118 0.000 2.808 87 D HA 0.563 5.203 4.640 -0.000 0.000 0.294 87 D C 0.879 177.160 176.300 -0.031 0.000 1.278 87 D CA 1.541 55.502 54.000 -0.066 0.000 0.756 87 D CB 0.015 40.788 40.800 -0.045 0.000 1.271 87 D HN 1.443 nan 8.370 nan 0.000 0.425 88 G N -0.457 108.331 108.800 -0.019 0.000 2.176 88 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.232 88 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.232 88 G C 1.111 176.010 174.900 -0.002 0.000 0.986 88 G CA 0.907 46.008 45.100 0.001 0.000 0.643 88 G HN 0.573 nan 8.290 nan 0.000 0.522 89 T N 0.957 115.497 114.554 -0.023 0.000 2.674 89 T HA -0.093 4.257 4.350 -0.000 0.000 0.265 89 T C 2.599 177.288 174.700 -0.017 0.000 1.039 89 T CA 2.517 64.599 62.100 -0.030 0.000 1.150 89 T CB -0.413 68.426 68.868 -0.047 0.000 0.864 89 T HN 0.456 nan 8.240 nan 0.000 0.427 90 T N 1.661 116.206 114.554 -0.015 0.000 2.684 90 T HA -0.122 4.228 4.350 -0.000 0.000 0.267 90 T C 2.238 176.937 174.700 -0.001 0.000 1.036 90 T CA 1.741 63.835 62.100 -0.010 0.000 1.148 90 T CB -0.742 68.120 68.868 -0.010 0.000 0.863 90 T HN 0.420 nan 8.240 nan 0.000 0.436 91 T N 2.218 116.774 114.554 0.003 0.000 2.652 91 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 91 T C 2.411 177.122 174.700 0.018 0.000 1.039 91 T CA 1.340 63.446 62.100 0.011 0.000 1.153 91 T CB -0.732 68.144 68.868 0.014 0.000 0.863 91 T HN 0.445 nan 8.240 nan 0.000 0.428 92 A N 1.379 124.215 122.820 0.026 0.000 1.917 92 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 92 A C 2.564 180.165 177.584 0.028 0.000 1.182 92 A CA 2.358 54.420 52.037 0.042 0.000 0.633 92 A CB -1.395 17.639 19.000 0.056 0.000 0.819 92 A HN 0.521 nan 8.150 nan 0.000 0.448 93 T N -0.391 114.171 114.554 0.013 0.000 2.674 93 T HA -0.146 4.204 4.350 -0.000 0.000 0.265 93 T C 2.013 176.718 174.700 0.010 0.000 1.039 93 T CA 2.021 64.126 62.100 0.008 0.000 1.150 93 T CB -0.860 68.006 68.868 -0.002 0.000 0.864 93 T HN 0.720 nan 8.240 nan 0.000 0.427 94 V N 0.942 120.861 119.914 0.008 0.000 2.515 94 V HA -0.054 4.066 4.120 -0.000 0.000 0.250 94 V C 2.192 178.293 176.094 0.012 0.000 1.058 94 V CA 1.439 63.744 62.300 0.008 0.000 1.064 94 V CB -0.965 30.862 31.823 0.006 0.000 0.675 94 V HN 0.476 nan 8.190 nan 0.000 0.461 95 L N 0.588 121.820 121.223 0.016 0.000 2.017 95 L HA -0.046 4.294 4.340 -0.000 0.000 0.208 95 L C 3.084 179.966 176.870 0.020 0.000 1.073 95 L CA 1.809 56.661 54.840 0.019 0.000 0.745 95 L CB -0.994 41.080 42.059 0.025 0.000 0.894 95 L HN 0.449 nan 8.230 nan 0.000 0.432 96 A N -0.461 122.373 122.820 0.023 0.000 1.883 96 A HA -0.322 3.998 4.320 -0.000 0.000 0.217 96 A C 2.259 179.854 177.584 0.017 0.000 1.186 96 A CA 2.133 54.184 52.037 0.024 0.000 0.624 96 A CB -0.702 18.314 19.000 0.026 0.000 0.822 96 A HN 0.532 nan 8.150 nan 0.000 0.444 97 Q N -0.592 119.216 119.800 0.014 0.000 2.084 97 Q HA -0.144 4.195 4.340 -0.000 0.000 0.202 97 Q C 2.198 178.204 176.000 0.010 0.000 0.978 97 Q CA 1.769 57.578 55.803 0.011 0.000 0.844 97 Q CB -0.374 28.368 28.738 0.008 0.000 0.898 97 Q HN 0.600 nan 8.270 nan 0.000 0.426 98 A N 0.924 123.750 122.820 0.010 0.000 1.877 98 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 98 A C 2.017 179.607 177.584 0.010 0.000 1.186 98 A CA 1.540 53.583 52.037 0.009 0.000 0.620 98 A CB -0.727 18.278 19.000 0.009 0.000 0.822 98 A HN 0.501 nan 8.150 nan 0.000 0.443 99 I N -0.479 120.098 120.570 0.012 0.000 2.179 99 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 99 I C 2.334 178.458 176.117 0.012 0.000 1.088 99 I CA 1.387 62.694 61.300 0.012 0.000 1.357 99 I CB -0.404 37.605 38.000 0.015 0.000 1.051 99 I HN 0.293 nan 8.210 nan 0.000 0.409 100 I N 0.392 120.970 120.570 0.013 0.000 2.226 100 I HA -0.274 3.895 4.170 -0.000 0.000 0.245 100 I C 2.583 178.706 176.117 0.010 0.000 1.100 100 I CA 1.514 62.822 61.300 0.013 0.000 1.374 100 I CB -0.589 37.419 38.000 0.014 0.000 1.057 100 I HN 0.243 nan 8.210 nan 0.000 0.413 101 T N 0.230 114.789 114.554 0.009 0.000 2.622 101 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 101 T C 1.842 176.545 174.700 0.006 0.000 1.047 101 T CA 1.364 63.468 62.100 0.007 0.000 1.159 101 T CB -0.183 68.688 68.868 0.006 0.000 0.863 101 T HN 0.281 nan 8.240 nan 0.000 0.422 102 E N 0.653 120.857 120.200 0.007 0.000 2.106 102 E HA -0.008 4.341 4.350 -0.000 0.000 0.192 102 E C 2.548 179.152 176.600 0.006 0.000 0.984 102 E CA 1.003 57.406 56.400 0.006 0.000 0.806 102 E CB -0.894 28.809 29.700 0.006 0.000 0.750 102 E HN 0.566 nan 8.360 nan 0.000 0.458 103 G N 1.466 110.270 108.800 0.008 0.000 2.446 103 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 103 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 103 G C 1.732 176.636 174.900 0.008 0.000 1.168 103 G CA 0.624 45.729 45.100 0.008 0.000 0.771 103 G HN 0.190 nan 8.290 nan 0.000 0.551 104 L N -0.192 121.036 121.223 0.008 0.000 2.093 104 L HA -0.030 4.309 4.340 -0.000 0.000 0.208 104 L C 2.967 179.840 176.870 0.006 0.000 1.085 104 L CA 1.083 55.927 54.840 0.007 0.000 0.755 104 L CB -0.323 41.740 42.059 0.007 0.000 0.904 104 L HN 0.198 nan 8.230 nan 0.000 0.435 105 K N 0.233 120.636 120.400 0.005 0.000 2.032 105 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 105 K C 2.270 178.872 176.600 0.004 0.000 1.048 105 K CA 1.470 57.759 56.287 0.004 0.000 0.927 105 K CB -0.275 32.227 32.500 0.003 0.000 0.712 105 K HN 0.276 nan 8.250 nan 0.000 0.441 106 A N 1.053 123.876 122.820 0.005 0.000 1.883 106 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 106 A C 2.380 179.967 177.584 0.005 0.000 1.186 106 A CA 1.655 53.695 52.037 0.005 0.000 0.624 106 A CB -0.779 18.224 19.000 0.005 0.000 0.822 106 A HN 0.091 nan 8.150 nan 0.000 0.444 107 V N -0.194 119.724 119.914 0.006 0.000 2.332 107 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 107 V C 3.054 179.151 176.094 0.006 0.000 1.055 107 V CA 2.026 64.331 62.300 0.007 0.000 1.038 107 V CB -1.240 30.589 31.823 0.009 0.000 0.651 107 V HN 0.634 nan 8.190 nan 0.000 0.450 108 A N -0.056 122.767 122.820 0.005 0.000 1.933 108 A HA -0.074 4.246 4.320 -0.000 0.000 0.218 108 A C 2.303 179.889 177.584 0.002 0.000 1.175 108 A CA 1.815 53.854 52.037 0.003 0.000 0.628 108 A CB -0.661 18.340 19.000 0.002 0.000 0.814 108 A HN 0.604 nan 8.150 nan 0.000 0.444 109 A N -1.891 120.931 122.820 0.003 0.000 2.216 109 A HA 0.362 4.682 4.320 -0.000 0.000 0.214 109 A C 1.818 179.403 177.584 0.002 0.000 1.160 109 A CA 1.423 53.461 52.037 0.002 0.000 0.725 109 A CB -0.879 18.122 19.000 0.002 0.000 0.784 109 A HN 1.904 nan 8.150 nan 0.000 0.472 110 G N -2.269 106.533 108.800 0.003 0.000 2.163 110 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.213 110 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.213 110 G C 0.137 175.039 174.900 0.004 0.000 0.991 110 G CA 0.139 45.241 45.100 0.003 0.000 0.653 110 G HN 0.364 nan 8.290 nan 0.000 0.518 111 M N 0.756 120.358 119.600 0.004 0.000 2.255 111 M HA 0.252 4.732 4.480 -0.000 0.000 0.336 111 M C 0.714 177.018 176.300 0.006 0.000 1.135 111 M CA -0.525 54.778 55.300 0.005 0.000 1.145 111 M CB 0.505 33.108 32.600 0.004 0.000 1.473 111 M HN 0.171 nan 8.290 nan 0.000 0.462 112 N N 2.544 121.247 118.700 0.006 0.000 2.452 112 N HA 0.086 4.826 4.740 -0.000 0.000 0.266 112 N C -2.120 173.395 175.510 0.008 0.000 1.175 112 N CA -1.188 51.866 53.050 0.007 0.000 0.945 112 N CB 1.229 39.720 38.487 0.006 0.000 1.063 112 N HN 0.286 nan 8.380 nan 0.000 0.472 113 P HA -0.118 nan 4.420 nan 0.000 0.215 113 P C 1.640 178.946 177.300 0.010 0.000 1.153 113 P CA 1.375 64.481 63.100 0.011 0.000 0.853 113 P CB 0.218 31.927 31.700 0.014 0.000 0.788 114 M N -0.912 118.694 119.600 0.010 0.000 2.159 114 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 114 M C 1.485 177.790 176.300 0.007 0.000 1.063 114 M CA 1.628 56.933 55.300 0.009 0.000 1.110 114 M CB -1.688 30.917 32.600 0.009 0.000 1.374 114 M HN -0.005 nan 8.290 nan 0.000 0.411 115 D N 0.368 120.772 120.400 0.007 0.000 2.149 115 D HA -0.016 4.624 4.640 -0.000 0.000 0.201 115 D C 2.337 178.640 176.300 0.005 0.000 0.972 115 D CA 0.852 54.855 54.000 0.005 0.000 0.835 115 D CB -0.049 40.754 40.800 0.005 0.000 0.966 115 D HN 0.315 nan 8.370 nan 0.000 0.476 116 L N 0.880 122.107 121.223 0.006 0.000 2.042 116 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 116 L C 2.551 179.424 176.870 0.006 0.000 1.076 116 L CA 1.205 56.049 54.840 0.006 0.000 0.749 116 L CB -0.312 41.752 42.059 0.007 0.000 0.893 116 L HN -0.002 nan 8.230 nan 0.000 0.432 117 K N 0.389 120.794 120.400 0.007 0.000 2.057 117 K HA -0.228 4.092 4.320 -0.000 0.000 0.206 117 K C 2.324 178.927 176.600 0.005 0.000 1.050 117 K CA 1.338 57.629 56.287 0.007 0.000 0.935 117 K CB -0.043 32.462 32.500 0.009 0.000 0.715 117 K HN 0.065 nan 8.250 nan 0.000 0.439 118 R N -0.202 120.300 120.500 0.004 0.000 2.096 118 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 118 R C 2.293 178.594 176.300 0.002 0.000 1.127 118 R CA 1.710 57.812 56.100 0.003 0.000 0.968 118 R CB -0.492 29.809 30.300 0.003 0.000 0.861 118 R HN 0.434 nan 8.270 nan 0.000 0.440 119 G N 0.585 109.386 108.800 0.003 0.000 2.402 119 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 119 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 119 G C 1.427 176.329 174.900 0.002 0.000 1.162 119 G CA 0.710 45.812 45.100 0.003 0.000 0.777 119 G HN 0.243 nan 8.290 nan 0.000 0.539 120 I N 1.068 121.640 120.570 0.003 0.000 2.163 120 I HA -0.166 4.004 4.170 -0.000 0.000 0.243 120 I C 2.311 178.428 176.117 0.000 0.000 1.085 120 I CA 1.294 62.595 61.300 0.003 0.000 1.347 120 I CB -0.178 37.825 38.000 0.005 0.000 1.044 120 I HN 0.076 nan 8.210 nan 0.000 0.408 121 D N 0.772 121.172 120.400 -0.001 0.000 2.097 121 D HA -0.214 4.425 4.640 -0.000 0.000 0.195 121 D C 2.062 178.358 176.300 -0.006 0.000 0.989 121 D CA 1.229 55.226 54.000 -0.005 0.000 0.827 121 D CB -0.233 40.563 40.800 -0.006 0.000 0.966 121 D HN 0.287 nan 8.370 nan 0.000 0.456 122 K N 0.845 121.243 120.400 -0.003 0.000 2.032 122 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 122 K C 2.051 178.650 176.600 -0.003 0.000 1.048 122 K CA 1.450 57.735 56.287 -0.003 0.000 0.927 122 K CB -0.075 32.425 32.500 -0.001 0.000 0.712 122 K HN 0.018 nan 8.250 nan 0.000 0.441 123 A N 0.527 123.347 122.820 -0.001 0.000 1.908 123 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 123 A C 2.249 179.832 177.584 -0.001 0.000 1.181 123 A CA 1.828 53.865 52.037 0.000 0.000 0.627 123 A CB -0.689 18.313 19.000 0.002 0.000 0.818 123 A HN 0.194 nan 8.150 nan 0.000 0.445 124 V N -0.283 119.629 119.914 -0.004 0.000 2.358 124 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 124 V C 2.721 178.808 176.094 -0.012 0.000 1.047 124 V CA 2.391 64.686 62.300 -0.009 0.000 1.035 124 V CB -1.258 30.557 31.823 -0.014 0.000 0.658 124 V HN 0.617 nan 8.190 nan 0.000 0.452 125 T N 0.528 115.074 114.554 -0.013 0.000 2.746 125 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 125 T C 2.051 176.746 174.700 -0.008 0.000 1.039 125 T CA 1.656 63.748 62.100 -0.013 0.000 1.142 125 T CB -0.395 68.466 68.868 -0.012 0.000 0.866 125 T HN 0.574 nan 8.240 nan 0.000 0.444 126 A N 1.386 124.204 122.820 -0.004 0.000 1.898 126 A HA 0.249 4.569 4.320 -0.000 0.000 0.216 126 A C 2.666 180.251 177.584 0.000 0.000 1.181 126 A CA 1.658 53.695 52.037 -0.001 0.000 0.620 126 A CB -1.097 17.904 19.000 0.001 0.000 0.819 126 A HN 0.494 nan 8.150 nan 0.000 0.442 127 A N -0.429 122.391 122.820 -0.000 0.000 1.908 127 A HA -0.050 4.270 4.320 -0.000 0.000 0.218 127 A C 2.213 179.797 177.584 0.001 0.000 1.181 127 A CA 1.901 53.940 52.037 0.002 0.000 0.627 127 A CB -0.977 18.024 19.000 0.002 0.000 0.818 127 A HN 0.410 nan 8.150 nan 0.000 0.445 128 V N -0.274 119.637 119.914 -0.005 0.000 2.407 128 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 128 V C 2.560 178.652 176.094 -0.003 0.000 1.055 128 V CA 2.350 64.645 62.300 -0.007 0.000 1.049 128 V CB -0.690 31.123 31.823 -0.017 0.000 0.662 128 V HN 0.579 nan 8.190 nan 0.000 0.455 129 E N 0.090 120.288 120.200 -0.002 0.000 2.106 129 E HA -0.185 4.165 4.350 -0.000 0.000 0.192 129 E C 2.141 178.744 176.600 0.005 0.000 0.984 129 E CA 0.948 57.349 56.400 0.001 0.000 0.806 129 E CB -0.193 29.507 29.700 0.000 0.000 0.750 129 E HN 0.540 nan 8.360 nan 0.000 0.458 130 E N -0.557 119.647 120.200 0.006 0.000 2.204 130 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 130 E C 1.572 178.180 176.600 0.012 0.000 0.989 130 E CA 0.341 56.747 56.400 0.010 0.000 0.824 130 E CB -0.137 29.570 29.700 0.011 0.000 0.756 130 E HN 0.142 nan 8.360 nan 0.000 0.477 131 L N 0.573 121.802 121.223 0.010 0.000 2.109 131 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 131 L C 1.732 178.608 176.870 0.011 0.000 1.086 131 L CA 1.690 56.537 54.840 0.011 0.000 0.760 131 L CB -0.282 41.782 42.059 0.008 0.000 0.910 131 L HN 0.017 nan 8.230 nan 0.000 0.437 132 K N -1.031 119.374 120.400 0.009 0.000 2.057 132 K HA -0.052 4.268 4.320 -0.000 0.000 0.206 132 K C 2.044 178.651 176.600 0.011 0.000 1.050 132 K CA 1.213 57.505 56.287 0.009 0.000 0.935 132 K CB -0.310 32.194 32.500 0.006 0.000 0.715 132 K HN 0.313 nan 8.250 nan 0.000 0.439 133 A N 1.349 124.176 122.820 0.011 0.000 2.015 133 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 133 A C 2.035 179.628 177.584 0.015 0.000 1.163 133 A CA 1.013 53.058 52.037 0.012 0.000 0.646 133 A CB -0.429 18.578 19.000 0.012 0.000 0.806 133 A HN 0.225 nan 8.150 nan 0.000 0.448 134 L N -0.622 120.611 121.223 0.017 0.000 2.131 134 L HA 0.002 4.342 4.340 -0.000 0.000 0.206 134 L C 1.461 178.343 176.870 0.020 0.000 1.087 134 L CA 0.571 55.423 54.840 0.021 0.000 0.767 134 L CB -0.196 41.877 42.059 0.023 0.000 0.917 134 L HN 0.418 nan 8.230 nan 0.000 0.441 135 S N -0.184 115.526 115.700 0.017 0.000 2.552 135 S HA 0.072 4.542 4.470 -0.000 0.000 0.289 135 S C -0.245 174.364 174.600 0.015 0.000 1.304 135 S CA -0.441 57.768 58.200 0.016 0.000 1.063 135 S CB 0.503 63.711 63.200 0.014 0.000 0.848 135 S HN 0.056 nan 8.310 nan 0.000 0.499 136 V N 8.382 128.306 119.914 0.016 0.000 2.398 136 V HA 0.408 4.528 4.120 -0.000 0.000 0.286 136 V C -2.102 174.000 176.094 0.013 0.000 1.026 136 V CA -1.937 60.372 62.300 0.014 0.000 0.868 136 V CB 1.312 33.144 31.823 0.015 0.000 0.982 136 V HN 0.765 nan 8.190 nan 0.000 0.443 137 P HA 0.155 nan 4.420 nan 0.000 0.272 137 P C -0.673 176.633 177.300 0.010 0.000 1.223 137 P CA -0.248 62.859 63.100 0.011 0.000 0.784 137 P CB 0.484 32.190 31.700 0.009 0.000 0.923 138 C N 2.739 122.045 119.300 0.010 0.000 2.814 138 C HA 0.485 4.944 4.460 -0.000 0.000 0.269 138 C C 1.024 176.018 174.990 0.007 0.000 1.090 138 C CA 0.165 59.188 59.018 0.009 0.000 1.492 138 C CB -1.322 26.424 27.740 0.010 0.000 1.825 138 C HN 0.569 nan 8.230 nan 0.000 0.442 139 S N 1.670 117.374 115.700 0.006 0.000 2.931 139 S HA 0.127 4.597 4.470 -0.000 0.000 0.251 139 S C 0.295 174.897 174.600 0.004 0.000 1.078 139 S CA 0.027 58.230 58.200 0.005 0.000 0.835 139 S CB -0.086 63.117 63.200 0.005 0.000 0.798 139 S HN 0.942 nan 8.310 nan 0.000 0.495 140 D N 2.339 122.742 120.400 0.004 0.000 2.382 140 D HA 0.059 4.699 4.640 -0.000 0.000 0.240 140 D C 0.889 177.191 176.300 0.003 0.000 1.146 140 D CA 0.305 54.307 54.000 0.003 0.000 0.897 140 D CB 0.912 41.714 40.800 0.003 0.000 1.197 140 D HN 0.245 nan 8.370 nan 0.000 0.432 141 S N 0.632 116.333 115.700 0.002 0.000 2.547 141 S HA -0.184 4.286 4.470 -0.000 0.000 0.235 141 S C 1.485 176.086 174.600 0.002 0.000 0.980 141 S CA 0.533 58.734 58.200 0.001 0.000 0.941 141 S CB -0.239 62.962 63.200 -0.000 0.000 0.763 141 S HN 0.627 nan 8.310 nan 0.000 0.532 142 K N 1.497 121.898 120.400 0.002 0.000 2.076 142 K HA 0.105 4.424 4.320 -0.000 0.000 0.204 142 K C 2.278 178.879 176.600 0.003 0.000 1.051 142 K CA 0.994 57.283 56.287 0.002 0.000 0.949 142 K CB -0.559 31.942 32.500 0.003 0.000 0.726 142 K HN 0.411 nan 8.250 nan 0.000 0.443 143 A N 1.700 124.522 122.820 0.004 0.000 1.898 143 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 143 A C 2.095 179.681 177.584 0.005 0.000 1.181 143 A CA 1.194 53.233 52.037 0.005 0.000 0.620 143 A CB -0.553 18.451 19.000 0.006 0.000 0.819 143 A HN 0.327 nan 8.150 nan 0.000 0.442 144 I N -0.074 120.498 120.570 0.004 0.000 2.194 144 I HA -0.349 3.821 4.170 -0.000 0.000 0.246 144 I C 2.980 179.100 176.117 0.004 0.000 1.093 144 I CA 1.237 62.539 61.300 0.004 0.000 1.355 144 I CB -0.419 37.583 38.000 0.003 0.000 1.046 144 I HN 0.385 nan 8.210 nan 0.000 0.413 145 A N 0.359 123.180 122.820 0.003 0.000 1.902 145 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 145 A C 2.258 179.844 177.584 0.003 0.000 1.181 145 A CA 1.577 53.615 52.037 0.002 0.000 0.623 145 A CB -0.632 18.369 19.000 0.001 0.000 0.818 145 A HN 0.507 nan 8.150 nan 0.000 0.443 146 Q N -0.384 119.417 119.800 0.003 0.000 2.061 146 Q HA -0.139 4.201 4.340 -0.000 0.000 0.204 146 Q C 2.133 178.135 176.000 0.003 0.000 0.984 146 Q CA 1.785 57.590 55.803 0.002 0.000 0.846 146 Q CB -0.519 28.221 28.738 0.003 0.000 0.902 146 Q HN 0.490 nan 8.270 nan 0.000 0.421 147 V N 0.843 120.760 119.914 0.005 0.000 2.407 147 V HA -0.189 3.931 4.120 -0.000 0.000 0.248 147 V C 2.248 178.347 176.094 0.008 0.000 1.055 147 V CA 1.919 64.224 62.300 0.007 0.000 1.049 147 V CB -1.156 30.673 31.823 0.010 0.000 0.662 147 V HN 0.537 nan 8.190 nan 0.000 0.455 148 G N -0.379 108.425 108.800 0.008 0.000 2.408 148 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.217 148 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.217 148 G C 1.681 176.584 174.900 0.005 0.000 1.150 148 G CA 1.388 46.493 45.100 0.008 0.000 0.776 148 G HN 0.473 nan 8.290 nan 0.000 0.542 149 T N 1.456 116.012 114.554 0.003 0.000 2.708 149 T HA -0.040 4.309 4.350 -0.000 0.000 0.266 149 T C 2.384 177.083 174.700 -0.001 0.000 1.037 149 T CA 0.944 63.044 62.100 0.001 0.000 1.146 149 T CB -0.154 68.714 68.868 -0.001 0.000 0.865 149 T HN 0.230 nan 8.240 nan 0.000 0.435 150 I N 1.364 121.933 120.570 -0.001 0.000 2.226 150 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 150 I C 2.434 178.550 176.117 -0.002 0.000 1.100 150 I CA 1.018 62.316 61.300 -0.003 0.000 1.374 150 I CB -0.337 37.661 38.000 -0.004 0.000 1.057 150 I HN 0.181 nan 8.210 nan 0.000 0.413 151 S N 0.607 116.308 115.700 0.002 0.000 2.515 151 S HA 0.054 4.524 4.470 -0.000 0.000 0.231 151 S C 1.557 176.159 174.600 0.004 0.000 0.987 151 S CA 0.868 59.071 58.200 0.005 0.000 0.936 151 S CB -0.055 63.153 63.200 0.013 0.000 0.766 151 S HN 0.502 nan 8.310 nan 0.000 0.528 152 A N 1.361 124.182 122.820 0.002 0.000 2.610 152 A HA 0.469 4.789 4.320 -0.000 0.000 0.286 152 A C 0.580 178.162 177.584 -0.002 0.000 1.306 152 A CA -0.451 51.587 52.037 0.001 0.000 0.942 152 A CB -0.538 18.464 19.000 0.003 0.000 1.112 152 A HN 0.353 nan 8.150 nan 0.000 0.527 153 N N -0.217 118.481 118.700 -0.005 0.000 2.756 153 N HA -0.216 4.524 4.740 -0.000 0.000 0.248 153 N C 0.238 175.743 175.510 -0.008 0.000 1.062 153 N CA 1.059 54.105 53.050 -0.008 0.000 0.696 153 N CB -1.840 36.642 38.487 -0.008 0.000 0.946 153 N HN 0.519 nan 8.380 nan 0.000 0.548 154 S N -1.636 114.060 115.700 -0.007 0.000 3.490 154 S HA -0.237 4.233 4.470 -0.000 0.000 0.301 154 S C -0.314 174.282 174.600 -0.005 0.000 1.233 154 S CA 0.850 59.045 58.200 -0.007 0.000 0.914 154 S CB -1.004 62.190 63.200 -0.010 0.000 1.047 154 S HN 0.746 nan 8.310 nan 0.000 0.602 155 D N 1.614 122.012 120.400 -0.004 0.000 2.422 155 D HA 0.199 4.839 4.640 -0.000 0.000 0.227 155 D C 1.236 177.535 176.300 -0.002 0.000 1.190 155 D CA -0.245 53.754 54.000 -0.003 0.000 0.905 155 D CB 0.408 41.207 40.800 -0.002 0.000 1.034 155 D HN 0.471 nan 8.370 nan 0.000 0.507 156 E N 1.360 121.558 120.200 -0.002 0.000 2.171 156 E HA -0.187 4.163 4.350 -0.000 0.000 0.197 156 E C 1.447 178.046 176.600 -0.001 0.000 0.997 156 E CA 1.252 57.651 56.400 -0.002 0.000 0.810 156 E CB 0.057 29.756 29.700 -0.002 0.000 0.738 156 E HN 0.500 nan 8.360 nan 0.000 0.467 157 T N 1.311 115.865 114.554 -0.001 0.000 2.665 157 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 157 T C 2.209 176.909 174.700 -0.001 0.000 1.035 157 T CA 1.534 63.634 62.100 -0.001 0.000 1.151 157 T CB -0.373 68.494 68.868 -0.001 0.000 0.862 157 T HN 0.012 nan 8.240 nan 0.000 0.438 158 V N 1.541 121.454 119.914 -0.000 0.000 2.295 158 V HA -0.118 4.002 4.120 -0.000 0.000 0.246 158 V C 2.924 179.019 176.094 0.002 0.000 1.049 158 V CA 1.984 64.285 62.300 0.001 0.000 1.024 158 V CB -1.548 30.277 31.823 0.002 0.000 0.648 158 V HN 0.606 nan 8.190 nan 0.000 0.447 159 G N -0.345 108.456 108.800 0.001 0.000 2.446 159 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.217 159 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.217 159 G C 1.650 176.550 174.900 0.001 0.000 1.168 159 G CA 1.221 46.322 45.100 0.002 0.000 0.771 159 G HN 0.502 nan 8.290 nan 0.000 0.551 160 K N -0.104 120.296 120.400 -0.000 0.000 2.032 160 K HA 0.025 4.344 4.320 -0.000 0.000 0.209 160 K C 2.543 179.143 176.600 -0.001 0.000 1.048 160 K CA 0.924 57.211 56.287 -0.001 0.000 0.927 160 K CB -0.292 32.207 32.500 -0.001 0.000 0.712 160 K HN 0.340 nan 8.250 nan 0.000 0.441 161 L N 0.898 122.120 121.223 -0.001 0.000 1.989 161 L HA -0.231 4.109 4.340 -0.000 0.000 0.211 161 L C 2.425 179.294 176.870 -0.003 0.000 1.071 161 L CA 1.419 56.257 54.840 -0.002 0.000 0.749 161 L CB -0.296 41.761 42.059 -0.002 0.000 0.890 161 L HN 0.277 nan 8.230 nan 0.000 0.431 162 I N -0.667 119.902 120.570 -0.002 0.000 2.226 162 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 162 I C 2.759 178.874 176.117 -0.003 0.000 1.100 162 I CA 1.120 62.418 61.300 -0.003 0.000 1.374 162 I CB -0.520 37.480 38.000 0.000 0.000 1.057 162 I HN 0.237 nan 8.210 nan 0.000 0.413 163 A N 0.587 123.406 122.820 -0.002 0.000 1.883 163 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 163 A C 2.219 179.801 177.584 -0.003 0.000 1.186 163 A CA 1.872 53.908 52.037 -0.002 0.000 0.624 163 A CB -0.643 18.356 19.000 -0.001 0.000 0.822 163 A HN 0.447 nan 8.150 nan 0.000 0.444 164 E N -0.422 119.776 120.200 -0.003 0.000 2.058 164 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 164 E C 2.367 178.964 176.600 -0.005 0.000 0.997 164 E CA 1.050 57.448 56.400 -0.004 0.000 0.801 164 E CB -0.303 29.395 29.700 -0.004 0.000 0.746 164 E HN 0.625 nan 8.360 nan 0.000 0.450 165 A N 1.098 123.915 122.820 -0.007 0.000 1.877 165 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 165 A C 2.171 179.749 177.584 -0.010 0.000 1.186 165 A CA 1.397 53.428 52.037 -0.009 0.000 0.620 165 A CB -0.458 18.536 19.000 -0.011 0.000 0.822 165 A HN 0.150 nan 8.150 nan 0.000 0.443 166 M N -0.928 118.667 119.600 -0.009 0.000 2.213 166 M HA -0.166 4.314 4.480 -0.000 0.000 0.263 166 M C 1.802 178.098 176.300 -0.007 0.000 1.062 166 M CA 1.913 57.208 55.300 -0.009 0.000 1.105 166 M CB -0.547 32.048 32.600 -0.008 0.000 1.385 166 M HN 0.526 nan 8.290 nan 0.000 0.417 167 D N 0.485 120.882 120.400 -0.006 0.000 2.144 167 D HA -0.125 4.515 4.640 -0.000 0.000 0.200 167 D C 2.027 178.324 176.300 -0.005 0.000 0.978 167 D CA 1.120 55.117 54.000 -0.005 0.000 0.833 167 D CB 0.276 41.074 40.800 -0.004 0.000 0.961 167 D HN 0.027 nan 8.370 nan 0.000 0.470 168 K N -0.011 120.385 120.400 -0.006 0.000 1.973 168 K HA -0.053 4.267 4.320 -0.000 0.000 0.210 168 K C 2.096 178.692 176.600 -0.007 0.000 1.045 168 K CA 1.454 57.737 56.287 -0.007 0.000 0.937 168 K CB -0.676 31.819 32.500 -0.007 0.000 0.721 168 K HN 0.278 nan 8.250 nan 0.000 0.438 169 V N -2.064 117.844 119.914 -0.009 0.000 3.649 169 V HA 0.299 4.419 4.120 -0.000 0.000 0.275 169 V C 0.715 176.803 176.094 -0.009 0.000 1.281 169 V CA 0.286 62.580 62.300 -0.010 0.000 1.143 169 V CB -0.793 31.022 31.823 -0.012 0.000 0.892 169 V HN 0.435 nan 8.190 nan 0.000 0.441 170 G N 0.917 109.712 108.800 -0.008 0.000 2.758 170 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.686 170 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.686 170 G C 0.119 175.013 174.900 -0.009 0.000 1.389 170 G CA 0.087 45.183 45.100 -0.008 0.000 0.845 170 G HN 0.358 nan 8.290 nan 0.000 0.572 171 K N 0.109 120.504 120.400 -0.008 0.000 2.152 171 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 171 K C 2.007 178.600 176.600 -0.012 0.000 1.048 171 K CA 1.798 58.080 56.287 -0.009 0.000 0.933 171 K CB -0.035 32.462 32.500 -0.005 0.000 0.721 171 K HN 0.536 nan 8.250 nan 0.000 0.447 172 E N 0.377 120.571 120.200 -0.010 0.000 2.442 172 E HA 0.010 4.360 4.350 -0.000 0.000 0.195 172 E C 1.044 177.634 176.600 -0.016 0.000 1.030 172 E CA 0.133 56.526 56.400 -0.012 0.000 0.869 172 E CB -0.070 29.626 29.700 -0.007 0.000 0.857 172 E HN 0.269 nan 8.360 nan 0.000 0.505 173 G N 1.360 110.151 108.800 -0.016 0.000 2.720 173 G HA2 0.101 4.061 3.960 -0.000 0.000 0.237 173 G HA3 0.101 4.061 3.960 -0.000 0.000 0.237 173 G C 0.109 174.994 174.900 -0.025 0.000 1.239 173 G CA -0.377 44.713 45.100 -0.017 0.000 0.847 173 G HN -0.007 nan 8.290 nan 0.000 0.593 174 V N 1.881 121.779 119.914 -0.025 0.000 2.406 174 V HA 0.333 4.453 4.120 -0.000 0.000 0.272 174 V C 0.369 176.442 176.094 -0.035 0.000 1.043 174 V CA -0.103 62.176 62.300 -0.035 0.000 0.915 174 V CB 0.846 32.649 31.823 -0.033 0.000 0.988 174 V HN 0.462 nan 8.190 nan 0.000 0.466 175 I N 4.327 124.871 120.570 -0.043 0.000 2.436 175 I HA 0.464 4.634 4.170 -0.000 0.000 0.289 175 I C 0.081 176.174 176.117 -0.040 0.000 1.010 175 I CA -0.158 61.120 61.300 -0.037 0.000 1.098 175 I CB 2.166 40.146 38.000 -0.034 0.000 1.266 175 I HN 0.486 nan 8.210 nan 0.000 0.434 176 T N 5.226 119.761 114.554 -0.031 0.000 2.912 176 T HA 0.567 4.917 4.350 -0.000 0.000 0.288 176 T C -0.904 173.785 174.700 -0.020 0.000 1.030 176 T CA -0.553 61.530 62.100 -0.029 0.000 1.020 176 T CB 2.549 71.400 68.868 -0.029 0.000 1.056 176 T HN 0.378 nan 8.240 nan 0.000 0.480 177 V N 2.796 122.701 119.914 -0.015 0.000 2.686 177 V HA 0.822 4.942 4.120 -0.000 0.000 0.306 177 V C -1.456 174.634 176.094 -0.007 0.000 1.065 177 V CA -0.598 61.696 62.300 -0.009 0.000 0.894 177 V CB 1.673 33.493 31.823 -0.004 0.000 1.004 177 V HN 1.053 nan 8.190 nan 0.000 0.424 178 E N 3.365 123.561 120.200 -0.007 0.000 2.446 178 E HA 0.500 4.850 4.350 -0.000 0.000 0.276 178 E C -1.591 175.006 176.600 -0.005 0.000 0.969 178 E CA -1.120 55.276 56.400 -0.006 0.000 0.800 178 E CB 1.386 31.081 29.700 -0.009 0.000 1.341 178 E HN 0.549 nan 8.360 nan 0.000 0.460 179 D N 0.775 121.172 120.400 -0.004 0.000 2.548 179 D HA 0.132 4.772 4.640 -0.000 0.000 0.231 179 D C 0.234 176.531 176.300 -0.005 0.000 1.142 179 D CA 0.758 54.756 54.000 -0.004 0.000 0.866 179 D CB 0.753 41.551 40.800 -0.004 0.000 1.190 179 D HN 0.554 nan 8.370 nan 0.000 0.469 180 G N -0.445 108.352 108.800 -0.004 0.000 2.504 180 G HA2 0.320 4.280 3.960 -0.000 0.000 0.288 180 G HA3 0.320 4.280 3.960 -0.000 0.000 0.288 180 G C 0.945 175.842 174.900 -0.005 0.000 1.182 180 G CA -0.311 44.786 45.100 -0.005 0.000 0.894 180 G HN 0.443 nan 8.290 nan 0.000 0.521 181 T N -2.871 111.680 114.554 -0.005 0.000 3.107 181 T HA 0.473 4.823 4.350 -0.000 0.000 0.249 181 T C 0.906 175.604 174.700 -0.005 0.000 1.096 181 T CA 0.539 62.636 62.100 -0.005 0.000 1.012 181 T CB -0.063 68.801 68.868 -0.006 0.000 0.977 181 T HN 1.958 nan 8.240 nan 0.000 0.527 182 G N 1.232 110.030 108.800 -0.004 0.000 2.350 182 G HA2 0.254 4.214 3.960 -0.000 0.000 0.274 182 G HA3 0.254 4.214 3.960 -0.000 0.000 0.274 182 G C -0.569 174.329 174.900 -0.003 0.000 1.621 182 G CA -0.734 44.364 45.100 -0.004 0.000 0.935 182 G HN 0.507 nan 8.290 nan 0.000 0.694 183 L N 1.522 122.743 121.223 -0.003 0.000 4.272 183 L HA -0.156 4.184 4.340 -0.000 0.000 0.479 183 L C -0.144 176.724 176.870 -0.003 0.000 1.045 183 L CA 2.038 56.876 54.840 -0.003 0.000 0.625 183 L CB -1.110 40.947 42.059 -0.003 0.000 1.189 183 L HN 0.975 nan 8.230 nan 0.000 0.704 184 Q N 1.838 121.637 119.800 -0.003 0.000 3.349 184 Q HA 0.088 4.428 4.340 -0.000 0.000 0.159 184 Q C -1.244 174.753 176.000 -0.004 0.000 0.979 184 Q CA -0.622 55.179 55.803 -0.003 0.000 1.248 184 Q CB 0.839 29.575 28.738 -0.003 0.000 1.740 184 Q HN 0.499 nan 8.270 nan 0.000 0.602 185 D N 2.600 122.998 120.400 -0.003 0.000 2.344 185 D HA 0.284 4.924 4.640 -0.000 0.000 0.244 185 D C -0.293 176.004 176.300 -0.004 0.000 1.134 185 D CA 0.211 54.209 54.000 -0.004 0.000 0.930 185 D CB 1.016 41.814 40.800 -0.004 0.000 1.175 185 D HN 0.339 nan 8.370 nan 0.000 0.437 186 E N 0.040 120.237 120.200 -0.005 0.000 2.314 186 E HA 0.491 4.841 4.350 -0.000 0.000 0.272 186 E C -1.177 175.420 176.600 -0.006 0.000 0.884 186 E CA -0.900 55.496 56.400 -0.006 0.000 0.753 186 E CB 2.547 32.244 29.700 -0.006 0.000 1.213 186 E HN 0.072 nan 8.360 nan 0.000 0.432 187 L N 2.618 123.837 121.223 -0.006 0.000 2.404 187 L HA 0.524 4.864 4.340 -0.000 0.000 0.272 187 L C -1.767 175.098 176.870 -0.008 0.000 0.980 187 L CA -0.122 54.714 54.840 -0.007 0.000 0.836 187 L CB 1.352 43.407 42.059 -0.007 0.000 1.238 187 L HN 0.460 nan 8.230 nan 0.000 0.408 188 D N 3.888 124.283 120.400 -0.009 0.000 2.857 188 D HA 0.451 5.091 4.640 -0.000 0.000 0.227 188 D C -1.141 175.153 176.300 -0.010 0.000 1.192 188 D CA -0.242 53.753 54.000 -0.009 0.000 0.857 188 D CB 2.995 43.790 40.800 -0.009 0.000 1.645 188 D HN 0.256 nan 8.370 nan 0.000 0.482 189 V N 1.440 121.349 119.914 -0.009 0.000 2.427 189 V HA 0.477 4.597 4.120 -0.000 0.000 0.286 189 V C 0.356 176.444 176.094 -0.009 0.000 1.034 189 V CA -0.646 61.648 62.300 -0.009 0.000 0.893 189 V CB 1.480 33.299 31.823 -0.008 0.000 0.982 189 V HN 0.442 nan 8.190 nan 0.000 0.452 190 V N 1.389 121.297 119.914 -0.009 0.000 2.914 190 V HA 0.668 4.788 4.120 -0.000 0.000 0.314 190 V C -0.173 175.917 176.094 -0.006 0.000 1.084 190 V CA -1.005 61.290 62.300 -0.008 0.000 0.963 190 V CB 2.062 33.879 31.823 -0.011 0.000 1.025 190 V HN 0.708 nan 8.190 nan 0.000 0.432 191 E N 2.229 122.427 120.200 -0.004 0.000 2.729 191 E HA 0.439 4.789 4.350 -0.000 0.000 0.246 191 E C 0.353 176.954 176.600 0.001 0.000 0.984 191 E CA 1.307 57.707 56.400 -0.000 0.000 0.951 191 E CB 0.452 30.152 29.700 0.001 0.000 0.914 191 E HN 1.223 nan 8.360 nan 0.000 0.509 192 G N 1.597 110.400 108.800 0.004 0.000 2.600 192 G HA2 0.642 4.602 3.960 -0.000 0.000 0.293 192 G HA3 0.642 4.602 3.960 -0.000 0.000 0.293 192 G C -1.097 173.813 174.900 0.016 0.000 1.408 192 G CA -0.597 44.507 45.100 0.006 0.000 0.782 192 G HN 0.400 nan 8.290 nan 0.000 0.482 193 M N -0.554 119.058 119.600 0.021 0.000 2.833 193 M HA 0.614 5.094 4.480 -0.000 0.000 0.270 193 M C -2.321 173.989 176.300 0.017 0.000 1.209 193 M CA -0.704 54.621 55.300 0.042 0.000 0.826 193 M CB 2.509 35.163 32.600 0.091 0.000 1.657 193 M HN 0.751 nan 8.290 nan 0.000 0.492 194 Q N 2.459 122.278 119.800 0.031 0.000 2.281 194 Q HA 0.551 4.891 4.340 -0.000 0.000 0.263 194 Q C -2.284 173.729 176.000 0.022 0.000 0.989 194 Q CA -0.626 55.132 55.803 -0.076 0.000 0.852 194 Q CB 1.909 30.589 28.738 -0.096 0.000 1.337 194 Q HN 0.594 nan 8.270 nan 0.000 0.418 195 F N 0.004 119.947 119.950 -0.011 0.000 2.618 195 F HA 0.591 5.118 4.527 -0.000 0.000 0.332 195 F C -0.250 175.545 175.800 -0.008 0.000 1.061 195 F CA -1.171 56.825 58.000 -0.006 0.000 0.974 195 F CB 1.023 40.022 39.000 -0.001 0.000 1.310 195 F HN 0.295 nan 8.300 nan 0.000 0.491 196 D N 2.492 123.032 120.400 0.233 0.000 2.845 196 D HA 0.179 4.819 4.640 -0.000 0.000 0.235 196 D C -0.318 176.078 176.300 0.160 0.000 1.158 196 D CA 0.213 54.284 54.000 0.119 0.000 0.990 196 D CB -0.067 40.789 40.800 0.093 0.000 1.094 196 D HN 0.267 nan 8.370 nan 0.000 0.486 197 R N 0.261 120.862 120.500 0.168 0.000 2.533 197 R HA 0.508 4.848 4.340 -0.000 0.000 0.288 197 R C 0.282 176.594 176.300 0.019 0.000 1.039 197 R CA -0.686 55.519 56.100 0.176 0.000 0.909 197 R CB 2.181 32.732 30.300 0.419 0.000 1.195 197 R HN 0.197 nan 8.270 nan 0.000 0.438 198 G N 1.098 109.863 108.800 -0.057 0.000 2.642 198 G HA2 0.413 4.373 3.960 -0.000 0.000 0.291 198 G HA3 0.413 4.373 3.960 -0.000 0.000 0.291 198 G C -0.685 174.158 174.900 -0.095 0.000 1.345 198 G CA -0.536 44.435 45.100 -0.215 0.000 1.043 198 G HN 0.452 nan 8.290 nan 0.000 0.528 199 Y N -0.933 119.427 120.300 0.100 0.000 2.610 199 Y HA 0.290 4.840 4.550 -0.000 0.000 0.332 199 Y C 1.115 177.142 175.900 0.212 0.000 1.201 199 Y CA -1.139 57.068 58.100 0.178 0.000 1.465 199 Y CB 0.289 38.898 38.460 0.248 0.000 1.283 199 Y HN 0.173 nan 8.280 nan 0.000 0.563 200 L N 2.719 124.231 121.223 0.482 0.000 2.711 200 L HA 0.080 4.420 4.340 -0.000 0.000 0.242 200 L C 0.535 177.636 176.870 0.384 0.000 1.153 200 L CA 0.826 55.889 54.840 0.372 0.000 0.898 200 L CB -0.591 41.659 42.059 0.318 0.000 1.044 200 L HN 0.835 nan 8.230 nan 0.000 0.437 201 S N -2.151 113.843 115.700 0.489 0.000 2.709 201 S HA 0.266 4.736 4.470 -0.000 0.000 0.305 201 S C -2.654 171.879 174.600 -0.112 0.000 0.974 201 S CA -0.972 57.338 58.200 0.183 0.000 0.837 201 S CB 1.209 64.390 63.200 -0.030 0.000 1.032 201 S HN -0.222 nan 8.310 nan 0.000 0.461 202 P HA 0.332 nan 4.420 nan 0.000 0.335 202 P C 0.291 177.295 177.300 -0.494 0.000 1.416 202 P CA 0.639 63.261 63.100 -0.797 0.000 0.828 202 P CB -0.028 31.250 31.700 -0.703 0.000 1.966 203 Y N -4.679 115.424 120.300 -0.328 0.000 2.919 203 Y HA -0.303 4.247 4.550 -0.000 0.000 0.489 203 Y C 1.869 177.662 175.900 -0.179 0.000 1.116 203 Y CA 1.582 59.525 58.100 -0.263 0.000 2.847 203 Y CB -2.984 35.268 38.460 -0.346 0.000 0.845 203 Y HN 0.097 nan 8.280 nan 0.000 0.542 204 F N 0.478 120.421 119.950 -0.012 0.000 2.451 204 F HA -0.001 4.526 4.527 -0.000 0.000 0.299 204 F C 1.428 177.193 175.800 -0.058 0.000 1.101 204 F CA 0.381 58.373 58.000 -0.013 0.000 1.436 204 F CB -0.544 38.461 39.000 0.007 0.000 1.074 204 F HN -0.026 nan 8.300 nan 0.000 0.553 205 I N 2.087 122.657 120.570 0.001 0.000 2.668 205 I HA -0.130 4.040 4.170 -0.000 0.000 0.285 205 I C 0.535 176.659 176.117 0.011 0.000 1.168 205 I CA 0.432 61.707 61.300 -0.041 0.000 1.424 205 I CB 0.184 38.083 38.000 -0.168 0.000 1.377 205 I HN 0.167 nan 8.210 nan 0.000 0.560 206 N N 4.507 123.226 118.700 0.033 0.000 2.194 206 N HA 0.091 4.831 4.740 -0.000 0.000 0.231 206 N C -0.236 175.287 175.510 0.021 0.000 1.247 206 N CA -0.312 52.757 53.050 0.032 0.000 0.884 206 N CB 0.567 39.081 38.487 0.044 0.000 1.146 206 N HN 0.299 nan 8.380 nan 0.000 0.516 207 K N 1.125 121.535 120.400 0.017 0.000 3.253 207 K HA 0.273 4.593 4.320 -0.000 0.000 0.174 207 K C -2.057 174.549 176.600 0.010 0.000 1.071 207 K CA -1.464 54.833 56.287 0.016 0.000 0.836 207 K CB 1.750 34.264 32.500 0.023 0.000 0.922 207 K HN 0.012 nan 8.250 nan 0.000 0.565 208 P HA -0.261 nan 4.420 nan 0.000 0.219 208 P C 0.566 177.865 177.300 -0.001 0.000 1.151 208 P CA 1.587 64.681 63.100 -0.010 0.000 0.850 208 P CB 0.533 32.225 31.700 -0.012 0.000 0.784 209 E N 0.236 120.438 120.200 0.004 0.000 2.021 209 E HA -0.158 4.192 4.350 -0.000 0.000 0.200 209 E C 2.052 178.658 176.600 0.010 0.000 1.015 209 E CA 2.367 58.770 56.400 0.006 0.000 0.824 209 E CB -1.668 28.036 29.700 0.007 0.000 0.762 209 E HN 0.413 nan 8.360 nan 0.000 0.454 210 T N -2.620 111.945 114.554 0.018 0.000 3.107 210 T HA 0.301 4.651 4.350 -0.000 0.000 0.249 210 T C 1.447 176.173 174.700 0.043 0.000 1.096 210 T CA 0.155 62.272 62.100 0.027 0.000 1.012 210 T CB 0.070 68.956 68.868 0.030 0.000 0.977 210 T HN 0.376 nan 8.240 nan 0.000 0.527 211 G N 1.163 109.985 108.800 0.038 0.000 2.283 211 G HA2 0.021 3.981 3.960 -0.000 0.000 0.280 211 G HA3 0.021 3.981 3.960 -0.000 0.000 0.280 211 G C 0.149 175.124 174.900 0.126 0.000 1.029 211 G CA 0.068 45.202 45.100 0.057 0.000 0.840 211 G HN 1.178 nan 8.290 nan 0.000 0.505 212 A N -1.392 121.488 122.820 0.099 0.000 2.386 212 A HA 0.903 5.223 4.320 -0.000 0.000 0.308 212 A C -0.117 177.529 177.584 0.103 0.000 1.128 212 A CA -0.331 51.788 52.037 0.136 0.000 0.789 212 A CB 2.020 21.072 19.000 0.087 0.000 1.325 212 A HN 1.118 nan 8.150 nan 0.000 0.437 213 V N 0.960 120.953 119.914 0.132 0.000 2.439 213 V HA 0.480 4.600 4.120 -0.000 0.000 0.282 213 V C 0.023 176.148 176.094 0.051 0.000 1.039 213 V CA -0.232 62.126 62.300 0.096 0.000 0.913 213 V CB 1.171 33.069 31.823 0.126 0.000 0.983 213 V HN 0.911 nan 8.190 nan 0.000 0.460 214 E N 4.536 124.756 120.200 0.033 0.000 2.279 214 E HA 0.542 4.892 4.350 -0.000 0.000 0.252 214 E C -1.604 174.999 176.600 0.005 0.000 0.894 214 E CA -0.494 55.914 56.400 0.012 0.000 0.785 214 E CB 1.314 31.020 29.700 0.011 0.000 1.237 214 E HN 0.626 nan 8.360 nan 0.000 0.418 215 L N 3.454 124.673 121.223 -0.008 0.000 2.329 215 L HA 0.508 4.847 4.340 -0.000 0.000 0.279 215 L C -0.027 176.825 176.870 -0.029 0.000 1.014 215 L CA -0.813 54.017 54.840 -0.016 0.000 0.814 215 L CB 1.662 43.708 42.059 -0.021 0.000 1.257 215 L HN 0.416 nan 8.230 nan 0.000 0.424 216 E N 1.425 121.604 120.200 -0.034 0.000 2.179 216 E HA 0.271 4.621 4.350 -0.000 0.000 0.275 216 E C -0.164 176.389 176.600 -0.078 0.000 0.945 216 E CA -0.594 55.777 56.400 -0.047 0.000 0.792 216 E CB 1.709 31.387 29.700 -0.036 0.000 1.125 216 E HN 0.612 nan 8.360 nan 0.000 0.397 217 S N 1.583 117.224 115.700 -0.097 0.000 3.549 217 S HA -0.129 4.341 4.470 -0.000 0.000 0.366 217 S C -2.055 172.398 174.600 -0.244 0.000 1.012 217 S CA 0.475 58.581 58.200 -0.157 0.000 1.141 217 S CB -1.365 61.745 63.200 -0.151 0.000 0.910 217 S HN 0.486 nan 8.310 nan 0.000 0.471 218 P HA 0.446 nan 4.420 nan 0.000 0.276 218 P C -0.076 177.093 177.300 -0.218 0.000 1.252 218 P CA -0.549 62.449 63.100 -0.171 0.000 0.802 218 P CB 0.491 32.155 31.700 -0.059 0.000 1.035 219 F N 0.367 120.316 119.950 -0.002 0.000 2.379 219 F HA 0.408 4.935 4.527 -0.000 0.000 0.332 219 F C 0.880 176.679 175.800 -0.000 0.000 1.096 219 F CA -0.307 57.692 58.000 -0.000 0.000 1.105 219 F CB 0.616 39.615 39.000 -0.001 0.000 1.189 219 F HN 0.047 nan 8.300 nan 0.000 0.515 220 I N 4.463 125.167 120.570 0.224 0.000 2.410 220 I HA 0.243 4.413 4.170 -0.000 0.000 0.286 220 I C -1.191 174.984 176.117 0.096 0.000 1.009 220 I CA -0.925 60.450 61.300 0.124 0.000 1.111 220 I CB 1.704 39.760 38.000 0.092 0.000 1.262 220 I HN 0.255 nan 8.210 nan 0.000 0.443 221 L N 8.389 129.652 121.223 0.066 0.000 2.255 221 L HA 0.459 4.799 4.340 -0.000 0.000 0.289 221 L C -0.864 176.020 176.870 0.023 0.000 1.046 221 L CA 0.028 54.888 54.840 0.034 0.000 0.816 221 L CB 0.583 42.654 42.059 0.021 0.000 1.197 221 L HN 0.460 nan 8.230 nan 0.000 0.427 222 L N 6.421 127.653 121.223 0.014 0.000 2.264 222 L HA 0.698 5.038 4.340 -0.000 0.000 0.287 222 L C 0.023 176.890 176.870 -0.006 0.000 1.039 222 L CA -0.406 54.434 54.840 -0.000 0.000 0.829 222 L CB 1.048 43.104 42.059 -0.005 0.000 1.211 222 L HN 0.785 nan 8.230 nan 0.000 0.427 223 A N 1.944 124.760 122.820 -0.006 0.000 2.310 223 A HA 0.350 4.670 4.320 -0.000 0.000 0.304 223 A C -0.556 177.023 177.584 -0.008 0.000 1.231 223 A CA -0.569 51.465 52.037 -0.005 0.000 0.799 223 A CB 0.820 19.821 19.000 0.002 0.000 1.162 223 A HN 0.686 nan 8.150 nan 0.000 0.486 224 D N 3.069 123.462 120.400 -0.012 0.000 2.498 224 D HA 0.403 5.043 4.640 -0.000 0.000 0.229 224 D C 0.144 176.442 176.300 -0.003 0.000 1.188 224 D CA 0.502 54.495 54.000 -0.013 0.000 1.028 224 D CB -0.546 40.244 40.800 -0.017 0.000 1.087 224 D HN 0.643 nan 8.370 nan 0.000 0.510 225 K N 0.142 120.543 120.400 0.003 0.000 3.533 225 K HA 0.208 4.528 4.320 -0.000 0.000 0.377 225 K C -1.371 175.239 176.600 0.017 0.000 1.081 225 K CA -1.201 55.092 56.287 0.010 0.000 0.823 225 K CB 0.330 32.835 32.500 0.008 0.000 1.496 225 K HN -0.088 nan 8.250 nan 0.000 0.480 226 K N 1.086 121.499 120.400 0.020 0.000 2.213 226 K HA 0.470 4.790 4.320 -0.000 0.000 0.270 226 K C -0.686 175.930 176.600 0.027 0.000 1.002 226 K CA -0.611 55.692 56.287 0.027 0.000 0.868 226 K CB 1.185 33.702 32.500 0.029 0.000 1.093 226 K HN 0.352 nan 8.250 nan 0.000 0.454 227 I N 2.298 122.888 120.570 0.033 0.000 2.312 227 I HA 0.079 4.249 4.170 -0.000 0.000 0.290 227 I C 0.482 176.622 176.117 0.038 0.000 1.008 227 I CA -0.030 61.289 61.300 0.033 0.000 1.226 227 I CB 1.552 39.574 38.000 0.036 0.000 1.371 227 I HN 0.660 nan 8.210 nan 0.000 0.468 228 S N 4.000 119.718 115.700 0.031 0.000 2.559 228 S HA 0.235 4.705 4.470 -0.000 0.000 0.226 228 S C 0.282 174.898 174.600 0.026 0.000 1.030 228 S CA -0.238 57.980 58.200 0.030 0.000 0.956 228 S CB 0.233 63.448 63.200 0.025 0.000 0.900 228 S HN 0.612 nan 8.310 nan 0.000 0.510 229 N N 1.176 119.889 118.700 0.023 0.000 2.461 229 N HA 0.355 5.095 4.740 -0.000 0.000 0.284 229 N C -0.366 175.155 175.510 0.020 0.000 1.049 229 N CA -0.265 52.796 53.050 0.019 0.000 0.889 229 N CB 1.937 40.432 38.487 0.013 0.000 1.365 229 N HN 0.050 nan 8.380 nan 0.000 0.499 230 I N 1.779 122.362 120.570 0.021 0.000 3.294 230 I HA -0.138 4.032 4.170 -0.000 0.000 0.287 230 I C 2.280 178.406 176.117 0.015 0.000 1.328 230 I CA 0.710 62.023 61.300 0.022 0.000 1.375 230 I CB 0.015 38.030 38.000 0.025 0.000 1.045 230 I HN 0.429 nan 8.210 nan 0.000 0.522 231 R N 0.862 121.369 120.500 0.011 0.000 2.092 231 R HA -0.169 4.171 4.340 -0.000 0.000 0.231 231 R C 1.832 178.135 176.300 0.005 0.000 1.119 231 R CA 1.579 57.683 56.100 0.007 0.000 0.970 231 R CB -0.059 30.245 30.300 0.006 0.000 0.864 231 R HN 0.474 nan 8.270 nan 0.000 0.440 232 E N -0.104 120.100 120.200 0.007 0.000 2.204 232 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 232 E C 1.979 178.580 176.600 0.002 0.000 0.989 232 E CA 0.888 57.290 56.400 0.004 0.000 0.824 232 E CB 0.031 29.734 29.700 0.006 0.000 0.756 232 E HN 0.306 nan 8.360 nan 0.000 0.477 233 M N 0.584 120.188 119.600 0.007 0.000 2.077 233 M HA -0.102 4.378 4.480 -0.000 0.000 0.261 233 M C 2.414 178.715 176.300 0.001 0.000 1.070 233 M CA 1.256 56.560 55.300 0.007 0.000 1.125 233 M CB -1.121 31.490 32.600 0.017 0.000 1.339 233 M HN 0.151 nan 8.290 nan 0.000 0.409 234 L N 0.197 121.422 121.223 0.003 0.000 2.113 234 L HA -0.320 4.020 4.340 -0.000 0.000 0.237 234 L C -0.216 176.649 176.870 -0.008 0.000 1.113 234 L CA 2.372 57.212 54.840 -0.000 0.000 0.837 234 L CB -2.998 39.061 42.059 0.000 0.000 0.929 234 L HN 0.207 nan 8.230 nan 0.000 0.449 235 P HA -0.162 nan 4.420 nan 0.000 0.215 235 P C 1.851 179.131 177.300 -0.033 0.000 1.157 235 P CA 1.888 64.975 63.100 -0.021 0.000 0.874 235 P CB -0.093 31.595 31.700 -0.021 0.000 0.790 236 V N 0.147 120.040 119.914 -0.035 0.000 2.427 236 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 236 V C 2.847 178.912 176.094 -0.048 0.000 1.051 236 V CA 1.372 63.639 62.300 -0.054 0.000 1.048 236 V CB -1.202 30.594 31.823 -0.046 0.000 0.666 236 V HN 0.013 nan 8.190 nan 0.000 0.456 237 L N -0.245 120.965 121.223 -0.021 0.000 2.201 237 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 237 L C 2.488 179.354 176.870 -0.006 0.000 1.105 237 L CA 1.417 56.254 54.840 -0.004 0.000 0.775 237 L CB -0.469 41.596 42.059 0.011 0.000 0.913 237 L HN 0.438 nan 8.230 nan 0.000 0.440 238 E N -0.058 120.133 120.200 -0.015 0.000 2.230 238 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 238 E C 2.243 178.828 176.600 -0.025 0.000 0.987 238 E CA 0.799 57.191 56.400 -0.013 0.000 0.841 238 E CB 0.013 29.705 29.700 -0.012 0.000 0.783 238 E HN 0.458 nan 8.360 nan 0.000 0.481 239 A N 0.977 123.765 122.820 -0.053 0.000 1.968 239 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 239 A C 2.354 179.879 177.584 -0.099 0.000 1.169 239 A CA 0.659 52.643 52.037 -0.088 0.000 0.638 239 A CB -0.177 18.742 19.000 -0.136 0.000 0.812 239 A HN 0.090 nan 8.150 nan 0.000 0.446 240 V N -0.457 119.412 119.914 -0.075 0.000 2.788 240 V HA -0.097 4.023 4.120 -0.000 0.000 0.251 240 V C 2.919 179.052 176.094 0.064 0.000 1.068 240 V CA 1.349 63.650 62.300 0.002 0.000 1.090 240 V CB -0.686 31.158 31.823 0.034 0.000 0.710 240 V HN 0.585 nan 8.190 nan 0.000 0.467 241 A N 0.084 122.923 122.820 0.032 0.000 1.858 241 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 241 A C 1.510 179.119 177.584 0.042 0.000 1.190 241 A CA 1.177 53.237 52.037 0.037 0.000 0.617 241 A CB -0.256 18.756 19.000 0.021 0.000 0.827 241 A HN 0.540 nan 8.150 nan 0.000 0.443 242 K N -2.535 117.883 120.400 0.030 0.000 2.132 242 K HA 0.423 4.743 4.320 -0.000 0.000 0.240 242 K C 1.059 177.700 176.600 0.069 0.000 1.036 242 K CA 0.223 56.531 56.287 0.035 0.000 0.888 242 K CB 0.109 32.619 32.500 0.016 0.000 1.071 242 K HN 0.812 nan 8.250 nan 0.000 0.502 243 A N 0.275 123.141 122.820 0.077 0.000 4.287 243 A HA -0.224 4.096 4.320 -0.000 0.000 0.258 243 A C 1.246 178.903 177.584 0.122 0.000 0.811 243 A CA 1.630 53.743 52.037 0.128 0.000 1.245 243 A CB -2.503 16.636 19.000 0.231 0.000 1.055 243 A HN 1.506 nan 8.150 nan 0.000 0.763 244 G N -0.697 108.164 108.800 0.102 0.000 2.395 244 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.300 244 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.300 244 G C -0.114 174.829 174.900 0.072 0.000 0.998 244 G CA 1.527 46.672 45.100 0.076 0.000 1.046 244 G HN 1.179 nan 8.290 nan 0.000 0.513 245 K N 0.423 120.895 120.400 0.120 0.000 2.375 245 K HA 0.539 4.859 4.320 -0.000 0.000 0.249 245 K C -2.158 174.500 176.600 0.097 0.000 0.942 245 K CA -2.069 54.251 56.287 0.054 0.000 0.806 245 K CB 2.854 35.301 32.500 -0.089 0.000 1.227 245 K HN 0.079 nan 8.250 nan 0.000 0.430 246 P HA 0.129 nan 4.420 nan 0.000 0.274 246 P C -1.128 176.227 177.300 0.091 0.000 1.260 246 P CA -0.494 62.636 63.100 0.050 0.000 0.793 246 P CB 0.660 32.366 31.700 0.010 0.000 1.048 247 L N 0.266 121.531 121.223 0.069 0.000 2.431 247 L HA 0.526 4.866 4.340 -0.000 0.000 0.266 247 L C -1.536 175.342 176.870 0.012 0.000 0.978 247 L CA -0.942 53.948 54.840 0.085 0.000 0.822 247 L CB 1.785 43.899 42.059 0.092 0.000 1.310 247 L HN 0.152 nan 8.230 nan 0.000 0.409 248 L N 6.107 127.346 121.223 0.026 0.000 2.294 248 L HA 0.594 4.934 4.340 -0.000 0.000 0.283 248 L C -1.139 175.738 176.870 0.011 0.000 1.015 248 L CA -0.202 54.634 54.840 -0.008 0.000 0.831 248 L CB 0.950 43.020 42.059 0.019 0.000 1.217 248 L HN 0.433 nan 8.230 nan 0.000 0.420 249 I N 7.007 127.563 120.570 -0.023 0.000 2.312 249 I HA 0.256 4.426 4.170 -0.000 0.000 0.291 249 I C -0.039 176.092 176.117 0.024 0.000 1.031 249 I CA -0.049 61.252 61.300 0.003 0.000 1.293 249 I CB 0.757 38.755 38.000 -0.004 0.000 1.403 249 I HN 0.557 nan 8.210 nan 0.000 0.484 250 I N 6.213 126.803 120.570 0.033 0.000 2.428 250 I HA 0.532 4.702 4.170 -0.000 0.000 0.279 250 I C 0.242 176.361 176.117 0.003 0.000 1.040 250 I CA -0.221 61.098 61.300 0.031 0.000 1.171 250 I CB 1.279 39.292 38.000 0.023 0.000 1.312 250 I HN 0.642 nan 8.210 nan 0.000 0.470 251 A N 4.331 127.159 122.820 0.013 0.000 2.437 251 A HA 0.446 4.766 4.320 -0.000 0.000 0.288 251 A C 0.880 178.470 177.584 0.010 0.000 1.201 251 A CA -0.536 51.506 52.037 0.008 0.000 0.795 251 A CB 1.395 20.408 19.000 0.022 0.000 1.359 251 A HN 0.697 nan 8.150 nan 0.000 0.435 252 E N -0.621 119.586 120.200 0.012 0.000 2.160 252 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 252 E C -0.263 176.360 176.600 0.037 0.000 0.991 252 E CA 1.627 58.039 56.400 0.021 0.000 0.810 252 E CB 0.156 29.870 29.700 0.023 0.000 0.742 252 E HN 0.575 nan 8.360 nan 0.000 0.466 253 D N -2.218 118.208 120.400 0.043 0.000 2.926 253 D HA 0.094 4.734 4.640 -0.000 0.000 0.272 253 D C -1.907 174.430 176.300 0.062 0.000 1.172 253 D CA -0.439 53.596 54.000 0.058 0.000 0.731 253 D CB 1.587 42.419 40.800 0.055 0.000 1.282 253 D HN -0.142 nan 8.370 nan 0.000 0.430 254 V N 2.257 122.220 119.914 0.081 0.000 2.462 254 V HA 0.425 4.545 4.120 -0.000 0.000 0.288 254 V C -0.168 175.980 176.094 0.089 0.000 1.020 254 V CA -0.571 61.781 62.300 0.087 0.000 0.857 254 V CB 1.565 33.457 31.823 0.115 0.000 1.013 254 V HN 0.402 nan 8.190 nan 0.000 0.431 255 E N 2.192 122.432 120.200 0.066 0.000 2.281 255 E HA 0.722 5.072 4.350 -0.000 0.000 0.257 255 E C 1.129 177.756 176.600 0.046 0.000 0.971 255 E CA -0.186 56.248 56.400 0.056 0.000 0.839 255 E CB 1.485 31.211 29.700 0.043 0.000 1.238 255 E HN 0.752 nan 8.360 nan 0.000 0.412 256 G N 1.263 110.084 108.800 0.035 0.000 2.668 256 G HA2 -0.484 3.476 3.960 -0.000 0.000 0.429 256 G HA3 -0.484 3.476 3.960 -0.000 0.000 0.429 256 G C 1.165 176.076 174.900 0.019 0.000 1.182 256 G CA 1.127 46.240 45.100 0.023 0.000 0.911 256 G HN 0.733 nan 8.290 nan 0.000 0.631 257 E N 0.872 121.080 120.200 0.015 0.000 2.108 257 E HA -0.268 4.082 4.350 -0.000 0.000 0.203 257 E C 2.923 179.535 176.600 0.019 0.000 1.022 257 E CA 2.574 58.980 56.400 0.011 0.000 0.823 257 E CB -0.646 29.059 29.700 0.010 0.000 0.744 257 E HN 0.725 nan 8.360 nan 0.000 0.456 258 A N 1.196 124.034 122.820 0.031 0.000 1.851 258 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 258 A C 2.274 179.898 177.584 0.066 0.000 1.195 258 A CA 1.703 53.767 52.037 0.045 0.000 0.622 258 A CB -0.929 18.101 19.000 0.049 0.000 0.831 258 A HN 0.365 nan 8.150 nan 0.000 0.444 259 L N -0.150 121.118 121.223 0.076 0.000 1.989 259 L HA -0.120 4.220 4.340 -0.000 0.000 0.211 259 L C 2.738 179.637 176.870 0.048 0.000 1.071 259 L CA 2.492 57.396 54.840 0.107 0.000 0.749 259 L CB -0.983 41.137 42.059 0.102 0.000 0.890 259 L HN 0.390 nan 8.230 nan 0.000 0.431 260 A N -1.491 121.332 122.820 0.006 0.000 1.903 260 A HA -0.292 4.028 4.320 -0.000 0.000 0.219 260 A C 2.281 179.841 177.584 -0.041 0.000 1.191 260 A CA 2.763 54.774 52.037 -0.042 0.000 0.638 260 A CB -1.430 17.549 19.000 -0.036 0.000 0.823 260 A HN 0.571 nan 8.150 nan 0.000 0.451 261 T N 0.341 114.893 114.554 -0.004 0.000 2.746 261 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 261 T C 1.812 176.529 174.700 0.028 0.000 1.039 261 T CA 1.440 63.542 62.100 0.004 0.000 1.142 261 T CB -0.371 68.508 68.868 0.018 0.000 0.866 261 T HN 0.374 nan 8.240 nan 0.000 0.444 262 L N 0.717 121.987 121.223 0.078 0.000 2.046 262 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 262 L C 2.684 179.646 176.870 0.152 0.000 1.077 262 L CA 0.909 55.852 54.840 0.172 0.000 0.747 262 L CB -0.723 41.517 42.059 0.302 0.000 0.896 262 L HN 0.143 nan 8.230 nan 0.000 0.432 263 V N -0.712 119.180 119.914 -0.037 0.000 2.392 263 V HA -0.260 3.860 4.120 -0.000 0.000 0.249 263 V C 2.335 178.312 176.094 -0.195 0.000 1.059 263 V CA 1.452 63.574 62.300 -0.297 0.000 1.051 263 V CB -0.309 31.263 31.823 -0.418 0.000 0.658 263 V HN 0.190 nan 8.190 nan 0.000 0.455 264 V N 0.250 120.087 119.914 -0.128 0.000 2.231 264 V HA -0.224 3.896 4.120 -0.000 0.000 0.240 264 V C 2.115 178.189 176.094 -0.034 0.000 1.039 264 V CA 2.375 64.614 62.300 -0.101 0.000 0.998 264 V CB -0.875 30.897 31.823 -0.084 0.000 0.639 264 V HN 0.586 nan 8.190 nan 0.000 0.451 265 N N 0.468 119.169 118.700 0.002 0.000 2.060 265 N HA -0.250 4.490 4.740 -0.000 0.000 0.195 265 N C 1.826 177.365 175.510 0.048 0.000 1.028 265 N CA 2.076 55.142 53.050 0.026 0.000 0.861 265 N CB -0.293 38.218 38.487 0.040 0.000 1.029 265 N HN 0.702 nan 8.380 nan 0.000 0.428 266 T N -1.102 113.504 114.554 0.087 0.000 2.962 266 T HA -0.081 4.269 4.350 -0.000 0.000 0.270 266 T C 1.500 176.250 174.700 0.083 0.000 1.088 266 T CA 0.664 62.834 62.100 0.117 0.000 1.127 266 T CB -0.108 68.899 68.868 0.231 0.000 0.883 266 T HN 0.154 nan 8.240 nan 0.000 0.493 267 M N 0.639 120.265 119.600 0.042 0.000 2.581 267 M HA 0.325 4.805 4.480 -0.000 0.000 0.224 267 M C 0.900 177.205 176.300 0.007 0.000 1.171 267 M CA 0.106 55.417 55.300 0.017 0.000 0.993 267 M CB -0.109 32.467 32.600 -0.040 0.000 1.685 267 M HN 0.090 nan 8.290 nan 0.000 0.479 268 R N -1.505 119.005 120.500 0.016 0.000 2.544 268 R HA 0.224 4.563 4.340 -0.000 0.000 0.426 268 R C 0.853 177.164 176.300 0.018 0.000 0.943 268 R CA 0.391 56.497 56.100 0.010 0.000 1.162 268 R CB 0.736 31.037 30.300 0.002 0.000 1.588 268 R HN 0.473 nan 8.270 nan 0.000 0.563 269 G N 1.662 110.479 108.800 0.028 0.000 2.205 269 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.269 269 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.269 269 G C 0.383 175.301 174.900 0.030 0.000 0.977 269 G CA 0.405 45.522 45.100 0.029 0.000 0.652 269 G HN 0.351 nan 8.290 nan 0.000 0.539 270 I N 1.276 121.865 120.570 0.031 0.000 2.280 270 I HA 0.367 4.537 4.170 -0.000 0.000 0.287 270 I C 0.596 176.737 176.117 0.041 0.000 1.121 270 I CA -0.456 60.861 61.300 0.030 0.000 1.798 270 I CB -0.182 37.832 38.000 0.024 0.000 1.489 270 I HN 0.091 nan 8.210 nan 0.000 0.805 271 V N 2.849 122.789 119.914 0.044 0.000 3.379 271 V HA -0.202 3.918 4.120 -0.000 0.000 0.484 271 V C -0.033 176.099 176.094 0.064 0.000 0.682 271 V CA 0.050 62.381 62.300 0.053 0.000 2.029 271 V CB -0.875 30.980 31.823 0.053 0.000 2.475 271 V HN 0.643 nan 8.190 nan 0.000 0.502 272 K N 4.072 124.509 120.400 0.061 0.000 2.312 272 K HA 0.726 5.046 4.320 -0.000 0.000 0.287 272 K C -0.366 176.266 176.600 0.053 0.000 1.062 272 K CA -0.136 56.190 56.287 0.066 0.000 0.934 272 K CB 1.459 33.989 32.500 0.050 0.000 1.027 272 K HN 0.580 nan 8.250 nan 0.000 0.478 273 V N 1.128 121.077 119.914 0.057 0.000 3.007 273 V HA 0.856 4.976 4.120 -0.000 0.000 0.311 273 V C -1.090 174.837 176.094 -0.280 0.000 1.120 273 V CA -1.150 61.129 62.300 -0.034 0.000 0.980 273 V CB 2.188 34.022 31.823 0.019 0.000 1.033 273 V HN 0.747 nan 8.190 nan 0.000 0.429 274 A N 2.188 124.718 122.820 -0.484 0.000 2.459 274 A HA 0.976 5.296 4.320 -0.000 0.000 0.296 274 A C -0.659 176.548 177.584 -0.629 0.000 1.039 274 A CA -0.087 51.345 52.037 -1.009 0.000 0.698 274 A CB 1.755 20.461 19.000 -0.491 0.000 1.261 274 A HN 1.653 nan 8.150 nan 0.000 0.405 275 A N 1.242 123.642 122.820 -0.700 0.000 2.350 275 A HA 0.890 5.210 4.320 -0.000 0.000 0.324 275 A C -0.285 177.308 177.584 0.015 0.000 1.118 275 A CA -0.125 51.813 52.037 -0.166 0.000 0.783 275 A CB 1.301 20.296 19.000 -0.009 0.000 1.236 275 A HN 2.302 nan 8.150 nan 0.000 0.457 276 V N -0.745 119.216 119.914 0.078 0.000 2.971 276 V HA 0.596 4.716 4.120 -0.000 0.000 0.309 276 V C -0.538 175.638 176.094 0.136 0.000 1.130 276 V CA -1.232 61.156 62.300 0.147 0.000 0.964 276 V CB 1.493 33.439 31.823 0.206 0.000 1.029 276 V HN 0.865 nan 8.190 nan 0.000 0.427 277 K N 2.182 122.661 120.400 0.132 0.000 2.355 277 K HA 0.598 4.918 4.320 -0.000 0.000 0.270 277 K C 0.606 177.226 176.600 0.033 0.000 1.003 277 K CA 0.433 56.769 56.287 0.083 0.000 0.957 277 K CB 1.164 33.714 32.500 0.083 0.000 0.939 277 K HN 1.144 nan 8.250 nan 0.000 0.482 278 A N 4.615 127.408 122.820 -0.044 0.000 2.448 278 A HA 0.187 4.507 4.320 -0.000 0.000 0.239 278 A C -2.050 175.418 177.584 -0.192 0.000 1.080 278 A CA -0.971 50.953 52.037 -0.189 0.000 0.779 278 A CB -0.351 18.566 19.000 -0.137 0.000 1.026 278 A HN 0.496 nan 8.150 nan 0.000 0.499 279 P HA 0.390 nan 4.420 nan 0.000 0.275 279 P C 0.684 177.949 177.300 -0.058 0.000 1.228 279 P CA 1.371 64.357 63.100 -0.190 0.000 0.786 279 P CB 0.706 32.212 31.700 -0.324 0.000 0.927 280 G N 2.248 111.080 108.800 0.054 0.000 2.645 280 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.246 280 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.246 280 G C -0.686 174.341 174.900 0.211 0.000 1.322 280 G CA 0.221 45.401 45.100 0.132 0.000 0.898 280 G HN 0.759 nan 8.290 nan 0.000 0.573 281 F N -2.753 117.198 119.950 0.002 0.000 2.754 281 F HA 0.815 5.342 4.527 -0.000 0.000 0.320 281 F C 1.052 176.856 175.800 0.008 0.000 1.156 281 F CA 0.248 58.250 58.000 0.004 0.000 0.950 281 F CB 0.737 39.746 39.000 0.015 0.000 1.388 281 F HN 2.478 nan 8.300 nan 0.000 0.485 282 G N 1.149 109.899 108.800 -0.082 0.000 2.574 282 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.282 282 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.282 282 G C 0.315 175.109 174.900 -0.176 0.000 1.257 282 G CA 0.685 45.679 45.100 -0.176 0.000 0.956 282 G HN 0.909 nan 8.290 nan 0.000 0.560 283 D N 0.554 120.847 120.400 -0.178 0.000 2.078 283 D HA -0.124 4.516 4.640 -0.000 0.000 0.193 283 D C 2.421 178.636 176.300 -0.142 0.000 0.990 283 D CA 1.703 55.629 54.000 -0.124 0.000 0.827 283 D CB -0.350 40.393 40.800 -0.095 0.000 0.975 283 D HN 0.657 nan 8.370 nan 0.000 0.451 284 R N 1.503 121.887 120.500 -0.192 0.000 2.226 284 R HA -0.160 4.180 4.340 -0.000 0.000 0.246 284 R C 2.119 178.331 176.300 -0.146 0.000 1.161 284 R CA 1.337 57.337 56.100 -0.167 0.000 0.997 284 R CB -0.285 29.899 30.300 -0.193 0.000 0.870 284 R HN 0.100 nan 8.270 nan 0.000 0.465 285 R N 0.997 121.404 120.500 -0.155 0.000 2.115 285 R HA -0.075 4.265 4.340 -0.000 0.000 0.226 285 R C 1.277 177.521 176.300 -0.094 0.000 1.100 285 R CA 1.569 57.604 56.100 -0.108 0.000 0.980 285 R CB -0.014 30.245 30.300 -0.068 0.000 0.875 285 R HN 0.329 nan 8.270 nan 0.000 0.445 286 K N 0.031 120.381 120.400 -0.083 0.000 2.167 286 K HA 0.029 4.349 4.320 -0.000 0.000 0.203 286 K C 2.075 178.635 176.600 -0.067 0.000 1.052 286 K CA 0.985 57.232 56.287 -0.066 0.000 0.956 286 K CB 0.033 32.501 32.500 -0.052 0.000 0.735 286 K HN 0.189 nan 8.250 nan 0.000 0.451 287 A N 1.507 124.283 122.820 -0.074 0.000 1.930 287 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 287 A C 2.135 179.678 177.584 -0.070 0.000 1.175 287 A CA 1.243 53.240 52.037 -0.066 0.000 0.627 287 A CB -0.376 18.582 19.000 -0.070 0.000 0.815 287 A HN 0.146 nan 8.150 nan 0.000 0.443 288 M N -0.779 118.769 119.600 -0.088 0.000 2.156 288 M HA -0.015 4.465 4.480 -0.000 0.000 0.264 288 M C 2.120 178.353 176.300 -0.112 0.000 1.067 288 M CA 1.102 56.342 55.300 -0.100 0.000 1.131 288 M CB -0.435 32.088 32.600 -0.128 0.000 1.368 288 M HN 0.349 nan 8.290 nan 0.000 0.416 289 L N 0.180 121.334 121.223 -0.116 0.000 2.081 289 L HA -0.266 4.074 4.340 -0.000 0.000 0.212 289 L C 2.651 179.481 176.870 -0.067 0.000 1.080 289 L CA 1.397 56.173 54.840 -0.107 0.000 0.754 289 L CB -0.425 41.582 42.059 -0.086 0.000 0.893 289 L HN 0.360 nan 8.230 nan 0.000 0.433 290 Q N -0.039 119.729 119.800 -0.054 0.000 2.172 290 Q HA -0.179 4.161 4.340 -0.000 0.000 0.200 290 Q C 1.661 177.643 176.000 -0.029 0.000 0.964 290 Q CA 1.505 57.287 55.803 -0.035 0.000 0.855 290 Q CB -0.054 28.664 28.738 -0.033 0.000 0.918 290 Q HN 0.394 nan 8.270 nan 0.000 0.444 291 D N -0.011 120.367 120.400 -0.036 0.000 2.104 291 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 291 D C 1.879 178.173 176.300 -0.009 0.000 0.994 291 D CA 1.425 55.411 54.000 -0.023 0.000 0.830 291 D CB -0.200 40.584 40.800 -0.027 0.000 0.959 291 D HN 0.357 nan 8.370 nan 0.000 0.452 292 I N 1.335 121.895 120.570 -0.017 0.000 2.163 292 I HA -0.295 3.875 4.170 -0.000 0.000 0.243 292 I C 2.575 178.701 176.117 0.014 0.000 1.085 292 I CA 1.090 62.396 61.300 0.010 0.000 1.347 292 I CB -0.377 37.617 38.000 -0.011 0.000 1.044 292 I HN -0.074 nan 8.210 nan 0.000 0.408 293 A N 0.829 123.649 122.820 -0.000 0.000 1.869 293 A HA -0.289 4.030 4.320 -0.000 0.000 0.218 293 A C 2.396 179.986 177.584 0.011 0.000 1.203 293 A CA 2.978 55.019 52.037 0.007 0.000 0.638 293 A CB -1.386 17.612 19.000 -0.003 0.000 0.831 293 A HN 0.426 nan 8.150 nan 0.000 0.450 294 T N 0.418 114.974 114.554 0.005 0.000 2.665 294 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 294 T C 1.845 176.552 174.700 0.011 0.000 1.035 294 T CA 1.430 63.533 62.100 0.006 0.000 1.151 294 T CB -0.408 68.460 68.868 0.000 0.000 0.862 294 T HN 0.348 nan 8.240 nan 0.000 0.438 295 L N 1.823 123.055 121.223 0.015 0.000 2.046 295 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 295 L C 2.237 179.120 176.870 0.022 0.000 1.077 295 L CA 2.398 57.249 54.840 0.019 0.000 0.747 295 L CB -1.367 40.708 42.059 0.027 0.000 0.896 295 L HN 0.471 nan 8.230 nan 0.000 0.432 296 T N -3.452 111.119 114.554 0.029 0.000 3.163 296 T HA 0.257 4.607 4.350 -0.000 0.000 0.252 296 T C 1.230 175.952 174.700 0.037 0.000 1.056 296 T CA 0.260 62.380 62.100 0.034 0.000 0.947 296 T CB -0.465 68.431 68.868 0.046 0.000 1.016 296 T HN 0.576 nan 8.240 nan 0.000 0.554 297 G N 0.525 109.342 108.800 0.029 0.000 2.390 297 G HA2 -0.008 3.951 3.960 -0.000 0.000 0.299 297 G HA3 -0.008 3.951 3.960 -0.000 0.000 0.299 297 G C 0.408 175.331 174.900 0.038 0.000 1.002 297 G CA -0.009 45.108 45.100 0.029 0.000 0.979 297 G HN 1.046 nan 8.290 nan 0.000 0.513 298 G N -1.813 107.008 108.800 0.035 0.000 2.753 298 G HA2 0.799 4.759 3.960 -0.000 0.000 0.285 298 G HA3 0.799 4.759 3.960 -0.000 0.000 0.285 298 G C -0.513 174.398 174.900 0.019 0.000 1.344 298 G CA 0.127 45.249 45.100 0.036 0.000 1.050 298 G HN 0.667 nan 8.290 nan 0.000 0.532 299 T N 0.216 114.777 114.554 0.012 0.000 2.881 299 T HA 0.411 4.761 4.350 -0.000 0.000 0.291 299 T C -0.188 174.510 174.700 -0.002 0.000 0.990 299 T CA -0.283 61.818 62.100 0.002 0.000 0.976 299 T CB 1.621 70.489 68.868 -0.001 0.000 0.970 299 T HN 0.377 nan 8.240 nan 0.000 0.438 300 V N 4.610 124.520 119.914 -0.007 0.000 2.585 300 V HA 0.220 4.340 4.120 -0.000 0.000 0.296 300 V C 0.436 176.524 176.094 -0.011 0.000 1.035 300 V CA -0.137 62.156 62.300 -0.012 0.000 1.084 300 V CB 0.202 32.014 31.823 -0.019 0.000 0.953 300 V HN 0.785 nan 8.190 nan 0.000 0.483 301 I N 5.269 125.833 120.570 -0.011 0.000 2.313 301 I HA 0.222 4.392 4.170 -0.000 0.000 0.286 301 I C 0.433 176.545 176.117 -0.009 0.000 1.091 301 I CA 0.093 61.387 61.300 -0.010 0.000 1.216 301 I CB 0.657 38.651 38.000 -0.009 0.000 1.434 301 I HN 0.718 nan 8.210 nan 0.000 0.487 302 S N 2.881 118.575 115.700 -0.010 0.000 2.508 302 S HA 0.354 4.824 4.470 -0.000 0.000 0.284 302 S C 0.728 175.324 174.600 -0.007 0.000 1.192 302 S CA -0.819 57.376 58.200 -0.009 0.000 1.070 302 S CB 2.002 65.194 63.200 -0.012 0.000 1.004 302 S HN 0.551 nan 8.310 nan 0.000 0.493 303 E N 2.008 122.206 120.200 -0.004 0.000 2.110 303 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 303 E C 1.568 178.166 176.600 -0.003 0.000 0.988 303 E CA 1.365 57.763 56.400 -0.003 0.000 0.804 303 E CB -0.139 29.561 29.700 0.000 0.000 0.745 303 E HN 0.823 nan 8.360 nan 0.000 0.458 304 E N 0.873 121.070 120.200 -0.004 0.000 2.068 304 E HA -0.237 4.113 4.350 -0.000 0.000 0.207 304 E C 1.978 178.575 176.600 -0.005 0.000 1.032 304 E CA 1.307 57.704 56.400 -0.004 0.000 0.839 304 E CB -0.296 29.400 29.700 -0.007 0.000 0.758 304 E HN 0.317 nan 8.360 nan 0.000 0.457 305 I N 0.102 120.668 120.570 -0.006 0.000 3.241 305 I HA -0.075 4.095 4.170 -0.000 0.000 0.280 305 I C 1.277 177.391 176.117 -0.005 0.000 1.320 305 I CA 0.664 61.960 61.300 -0.006 0.000 1.413 305 I CB -0.503 37.492 38.000 -0.008 0.000 1.060 305 I HN 0.348 nan 8.210 nan 0.000 0.500 306 G N 1.234 110.032 108.800 -0.005 0.000 2.137 306 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.237 306 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.237 306 G C 0.212 175.109 174.900 -0.005 0.000 1.002 306 G CA -0.249 44.849 45.100 -0.004 0.000 0.702 306 G HN 0.280 nan 8.290 nan 0.000 0.515 307 M N 0.044 119.640 119.600 -0.006 0.000 2.255 307 M HA 0.518 4.998 4.480 -0.000 0.000 0.336 307 M C 0.434 176.731 176.300 -0.006 0.000 1.135 307 M CA 0.210 55.506 55.300 -0.007 0.000 1.145 307 M CB 0.887 33.482 32.600 -0.008 0.000 1.473 307 M HN 0.235 nan 8.290 nan 0.000 0.462 308 E N 1.334 121.529 120.200 -0.007 0.000 2.238 308 E HA 0.282 4.631 4.350 -0.000 0.000 0.267 308 E C 0.120 176.715 176.600 -0.008 0.000 0.887 308 E CA -0.492 55.905 56.400 -0.006 0.000 0.769 308 E CB 2.143 31.840 29.700 -0.006 0.000 1.187 308 E HN 0.648 nan 8.360 nan 0.000 0.416 309 L N 1.740 122.959 121.223 -0.007 0.000 2.265 309 L HA -0.180 4.160 4.340 -0.000 0.000 0.215 309 L C 1.554 178.417 176.870 -0.012 0.000 1.117 309 L CA 1.162 55.997 54.840 -0.008 0.000 0.782 309 L CB -0.134 41.923 42.059 -0.003 0.000 0.914 309 L HN 0.573 nan 8.230 nan 0.000 0.441 310 E N 0.211 120.405 120.200 -0.010 0.000 2.106 310 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 310 E C 1.493 178.083 176.600 -0.016 0.000 0.984 310 E CA 0.872 57.265 56.400 -0.012 0.000 0.806 310 E CB 0.057 29.752 29.700 -0.008 0.000 0.750 310 E HN 0.272 nan 8.360 nan 0.000 0.458 311 K N 0.487 120.877 120.400 -0.015 0.000 2.504 311 K HA 0.276 4.596 4.320 -0.000 0.000 0.199 311 K C -0.160 176.426 176.600 -0.023 0.000 1.028 311 K CA 0.024 56.300 56.287 -0.018 0.000 1.164 311 K CB 0.629 33.121 32.500 -0.014 0.000 0.877 311 K HN -0.013 nan 8.250 nan 0.000 0.508 312 A N 2.158 124.961 122.820 -0.027 0.000 2.309 312 A HA 0.227 4.547 4.320 -0.000 0.000 0.290 312 A C 0.514 178.067 177.584 -0.053 0.000 1.206 312 A CA -0.386 51.630 52.037 -0.036 0.000 0.850 312 A CB 0.138 19.118 19.000 -0.033 0.000 1.118 312 A HN 0.268 nan 8.150 nan 0.000 0.523 313 T N 0.401 114.919 114.554 -0.059 0.000 2.944 313 T HA 0.476 4.826 4.350 -0.000 0.000 0.284 313 T C 1.137 175.762 174.700 -0.125 0.000 1.010 313 T CA -0.768 61.284 62.100 -0.081 0.000 1.025 313 T CB 0.707 69.539 68.868 -0.061 0.000 1.079 313 T HN 0.376 nan 8.240 nan 0.000 0.516 314 L N 0.117 121.231 121.223 -0.180 0.000 2.263 314 L HA -0.106 4.234 4.340 -0.000 0.000 0.216 314 L C 2.799 179.538 176.870 -0.219 0.000 1.111 314 L CA 1.627 56.274 54.840 -0.321 0.000 0.773 314 L CB -0.368 41.468 42.059 -0.371 0.000 0.906 314 L HN 0.889 nan 8.230 nan 0.000 0.439 315 E N -0.347 119.791 120.200 -0.103 0.000 2.299 315 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 315 E C 1.294 177.883 176.600 -0.018 0.000 0.998 315 E CA 0.516 56.895 56.400 -0.035 0.000 0.851 315 E CB 0.258 29.947 29.700 -0.018 0.000 0.795 315 E HN 0.454 nan 8.360 nan 0.000 0.492 316 D N 0.347 120.725 120.400 -0.036 0.000 2.269 316 D HA -0.067 4.573 4.640 -0.000 0.000 0.208 316 D C 0.218 176.516 176.300 -0.003 0.000 0.963 316 D CA 0.362 54.351 54.000 -0.018 0.000 0.864 316 D CB 0.129 40.913 40.800 -0.027 0.000 0.936 316 D HN 0.141 nan 8.370 nan 0.000 0.505 317 L N 0.803 122.017 121.223 -0.014 0.000 2.456 317 L HA 0.251 4.591 4.340 -0.000 0.000 0.272 317 L C 1.437 178.383 176.870 0.126 0.000 1.189 317 L CA 0.159 55.025 54.840 0.042 0.000 0.846 317 L CB 0.677 42.724 42.059 -0.021 0.000 1.111 317 L HN -0.159 nan 8.230 nan 0.000 0.475 318 G N 1.420 110.300 108.800 0.133 0.000 2.547 318 G HA2 0.538 4.498 3.960 -0.000 0.000 0.291 318 G HA3 0.538 4.498 3.960 -0.000 0.000 0.291 318 G C -1.059 173.933 174.900 0.152 0.000 1.211 318 G CA -0.244 44.926 45.100 0.116 0.000 0.950 318 G HN 0.565 nan 8.290 nan 0.000 0.504 319 Q N -1.502 118.345 119.800 0.078 0.000 2.352 319 Q HA 0.556 4.896 4.340 -0.000 0.000 0.270 319 Q C -1.344 174.646 176.000 -0.017 0.000 1.006 319 Q CA -0.676 55.134 55.803 0.011 0.000 0.880 319 Q CB 2.060 30.795 28.738 -0.005 0.000 1.392 319 Q HN 1.013 nan 8.270 nan 0.000 0.401 320 A N 2.609 125.401 122.820 -0.047 0.000 2.549 320 A HA 0.409 4.729 4.320 -0.000 0.000 0.297 320 A C -0.328 177.220 177.584 -0.060 0.000 1.061 320 A CA -0.632 51.383 52.037 -0.038 0.000 0.690 320 A CB 1.565 20.557 19.000 -0.014 0.000 1.287 320 A HN 0.842 nan 8.150 nan 0.000 0.402 321 K N -0.286 120.085 120.400 -0.050 0.000 2.160 321 K HA -0.118 4.201 4.320 -0.000 0.000 0.206 321 K C 0.805 177.375 176.600 -0.050 0.000 1.047 321 K CA 1.699 57.954 56.287 -0.053 0.000 0.930 321 K CB 0.057 32.534 32.500 -0.038 0.000 0.720 321 K HN 0.580 nan 8.250 nan 0.000 0.450 322 R N -0.521 119.954 120.500 -0.041 0.000 2.634 322 R HA 0.208 4.548 4.340 -0.000 0.000 0.263 322 R C -2.065 174.214 176.300 -0.034 0.000 1.060 322 R CA -0.615 55.463 56.100 -0.037 0.000 0.898 322 R CB 1.879 32.160 30.300 -0.031 0.000 1.253 322 R HN -0.049 nan 8.270 nan 0.000 0.461 323 V N 0.178 120.072 119.914 -0.033 0.000 2.808 323 V HA 0.820 4.940 4.120 -0.000 0.000 0.308 323 V C -1.350 174.722 176.094 -0.036 0.000 1.099 323 V CA -0.680 61.597 62.300 -0.039 0.000 0.920 323 V CB 2.053 33.857 31.823 -0.031 0.000 1.014 323 V HN 0.436 nan 8.190 nan 0.000 0.425 324 V N 5.457 125.340 119.914 -0.052 0.000 2.604 324 V HA 0.627 4.747 4.120 -0.000 0.000 0.305 324 V C -0.372 175.690 176.094 -0.053 0.000 1.043 324 V CA -0.407 61.871 62.300 -0.036 0.000 0.888 324 V CB 1.840 33.642 31.823 -0.035 0.000 0.995 324 V HN 0.870 nan 8.190 nan 0.000 0.429 325 I N 4.258 124.827 120.570 -0.001 0.000 2.439 325 I HA 0.442 4.612 4.170 -0.000 0.000 0.285 325 I C -0.065 176.094 176.117 0.071 0.000 1.021 325 I CA -0.466 60.839 61.300 0.007 0.000 1.091 325 I CB 1.797 39.837 38.000 0.067 0.000 1.242 325 I HN 0.560 nan 8.210 nan 0.000 0.439 326 N N 4.514 123.185 118.700 -0.048 0.000 2.443 326 N HA 0.188 4.928 4.740 -0.000 0.000 0.294 326 N C 1.018 176.268 175.510 -0.433 0.000 1.289 326 N CA -0.368 52.635 53.050 -0.078 0.000 0.966 326 N CB 0.695 39.125 38.487 -0.095 0.000 1.122 326 N HN 0.533 nan 8.380 nan 0.000 0.569 327 K N 0.100 120.225 120.400 -0.459 0.000 2.217 327 K HA -0.099 4.221 4.320 -0.000 0.000 0.202 327 K C -0.408 175.857 176.600 -0.558 0.000 1.051 327 K CA 1.528 57.313 56.287 -0.837 0.000 0.952 327 K CB 0.070 32.430 32.500 -0.234 0.000 0.736 327 K HN 0.601 nan 8.250 nan 0.000 0.453 328 D N -1.440 118.779 120.400 -0.302 0.000 2.651 328 D HA 0.097 4.737 4.640 -0.000 0.000 0.280 328 D C -0.831 175.395 176.300 -0.123 0.000 1.496 328 D CA -0.470 53.427 54.000 -0.171 0.000 0.792 328 D CB 0.996 41.739 40.800 -0.095 0.000 1.144 328 D HN -0.172 nan 8.370 nan 0.000 0.470 329 T N -0.227 114.230 114.554 -0.162 0.000 2.952 329 T HA 0.596 4.946 4.350 -0.000 0.000 0.305 329 T C -1.108 173.440 174.700 -0.253 0.000 1.064 329 T CA -0.448 61.547 62.100 -0.175 0.000 1.008 329 T CB 2.196 70.985 68.868 -0.132 0.000 1.078 329 T HN -0.128 nan 8.240 nan 0.000 0.459 330 T N 2.133 116.409 114.554 -0.464 0.000 2.841 330 T HA 0.645 4.995 4.350 -0.000 0.000 0.285 330 T C -0.680 173.625 174.700 -0.659 0.000 0.991 330 T CA -0.467 61.277 62.100 -0.593 0.000 0.966 330 T CB 1.599 69.943 68.868 -0.872 0.000 0.962 330 T HN 0.596 nan 8.240 nan 0.000 0.438 331 T N 4.155 118.495 114.554 -0.357 0.000 2.890 331 T HA 0.600 4.949 4.350 -0.000 0.000 0.295 331 T C -0.555 174.060 174.700 -0.141 0.000 0.993 331 T CA -0.620 61.337 62.100 -0.238 0.000 0.979 331 T CB 0.078 68.855 68.868 -0.152 0.000 0.967 331 T HN 0.476 nan 8.240 nan 0.000 0.441 332 I N 6.406 126.923 120.570 -0.089 0.000 2.325 332 I HA 0.404 4.574 4.170 -0.000 0.000 0.291 332 I C -0.089 176.017 176.117 -0.019 0.000 1.019 332 I CA -0.628 60.658 61.300 -0.024 0.000 1.302 332 I CB 1.065 39.089 38.000 0.040 0.000 1.401 332 I HN 0.550 nan 8.210 nan 0.000 0.485 333 I N 5.946 126.502 120.570 -0.024 0.000 2.355 333 I HA 0.231 4.401 4.170 -0.000 0.000 0.288 333 I C -0.518 175.588 176.117 -0.018 0.000 0.999 333 I CA -0.397 60.890 61.300 -0.022 0.000 1.163 333 I CB 1.086 39.070 38.000 -0.028 0.000 1.316 333 I HN 0.609 nan 8.210 nan 0.000 0.454 334 D N 4.820 125.212 120.400 -0.013 0.000 3.515 334 D HA -0.101 4.539 4.640 -0.000 0.000 0.247 334 D C 0.176 176.470 176.300 -0.010 0.000 1.084 334 D CA 0.909 54.902 54.000 -0.012 0.000 1.030 334 D CB -0.150 40.639 40.800 -0.017 0.000 0.946 334 D HN 0.817 nan 8.370 nan 0.000 0.420 335 G N 0.562 109.361 108.800 -0.001 0.000 2.507 335 G HA2 0.412 4.372 3.960 -0.000 0.000 0.271 335 G HA3 0.412 4.372 3.960 -0.000 0.000 0.271 335 G C 1.333 176.234 174.900 0.001 0.000 1.189 335 G CA -0.343 44.759 45.100 0.004 0.000 0.859 335 G HN 0.381 nan 8.290 nan 0.000 0.542 336 V N 1.574 121.491 119.914 0.004 0.000 2.951 336 V HA 0.076 4.196 4.120 -0.000 0.000 0.255 336 V C 2.163 178.263 176.094 0.010 0.000 1.088 336 V CA 0.797 63.101 62.300 0.006 0.000 1.109 336 V CB -1.038 30.791 31.823 0.010 0.000 0.724 336 V HN 0.868 nan 8.190 nan 0.000 0.471 337 G N 1.517 110.325 108.800 0.013 0.000 2.238 337 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.234 337 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.234 337 G C 0.025 174.930 174.900 0.008 0.000 1.181 337 G CA -0.092 45.016 45.100 0.012 0.000 0.871 337 G HN 0.320 nan 8.290 nan 0.000 0.490 338 E N 1.853 122.057 120.200 0.008 0.000 2.373 338 E HA 0.019 4.369 4.350 -0.000 0.000 0.267 338 E C 1.488 178.090 176.600 0.003 0.000 1.032 338 E CA -0.142 56.261 56.400 0.005 0.000 0.889 338 E CB 0.969 30.672 29.700 0.005 0.000 0.984 338 E HN 0.710 nan 8.360 nan 0.000 0.425 339 E N 1.796 121.997 120.200 0.002 0.000 2.130 339 E HA -0.268 4.082 4.350 -0.000 0.000 0.196 339 E C 1.737 178.338 176.600 0.000 0.000 0.998 339 E CA 1.435 57.836 56.400 0.001 0.000 0.806 339 E CB -0.047 29.653 29.700 -0.000 0.000 0.738 339 E HN 0.585 nan 8.360 nan 0.000 0.459 340 A N 1.778 124.599 122.820 0.001 0.000 1.873 340 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 340 A C 2.435 180.019 177.584 -0.000 0.000 1.193 340 A CA 2.185 54.222 52.037 0.000 0.000 0.629 340 A CB -0.815 18.186 19.000 0.001 0.000 0.826 340 A HN 0.323 nan 8.150 nan 0.000 0.447 341 A N -0.250 122.570 122.820 0.001 0.000 1.841 341 A HA -0.064 4.256 4.320 -0.000 0.000 0.214 341 A C 2.167 179.751 177.584 -0.000 0.000 1.195 341 A CA 1.527 53.564 52.037 0.001 0.000 0.611 341 A CB -0.719 18.283 19.000 0.003 0.000 0.835 341 A HN 0.487 nan 8.150 nan 0.000 0.443 342 I N -0.679 119.891 120.570 0.001 0.000 2.194 342 I HA -0.299 3.871 4.170 -0.000 0.000 0.246 342 I C 2.781 178.897 176.117 -0.002 0.000 1.093 342 I CA 1.924 63.224 61.300 0.001 0.000 1.355 342 I CB -0.267 37.734 38.000 0.002 0.000 1.046 342 I HN 0.395 nan 8.210 nan 0.000 0.413 343 Q N 1.128 120.927 119.800 -0.002 0.000 2.224 343 Q HA -0.089 4.251 4.340 -0.000 0.000 0.203 343 Q C 1.996 177.994 176.000 -0.004 0.000 0.970 343 Q CA 1.788 57.589 55.803 -0.003 0.000 0.865 343 Q CB -0.535 28.201 28.738 -0.003 0.000 0.922 343 Q HN 0.474 nan 8.270 nan 0.000 0.445 344 G N -0.273 108.525 108.800 -0.004 0.000 2.421 344 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 344 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 344 G C 1.571 176.467 174.900 -0.007 0.000 1.143 344 G CA 0.603 45.700 45.100 -0.005 0.000 0.784 344 G HN 0.297 nan 8.290 nan 0.000 0.541 345 R N 0.423 120.919 120.500 -0.007 0.000 2.096 345 R HA 0.018 4.358 4.340 -0.000 0.000 0.235 345 R C 2.492 178.785 176.300 -0.011 0.000 1.127 345 R CA 1.327 57.421 56.100 -0.009 0.000 0.968 345 R CB -0.876 29.419 30.300 -0.008 0.000 0.861 345 R HN 0.203 nan 8.270 nan 0.000 0.440 346 V N 0.741 120.649 119.914 -0.009 0.000 2.358 346 V HA -0.171 3.949 4.120 -0.000 0.000 0.246 346 V C 2.336 178.423 176.094 -0.011 0.000 1.047 346 V CA 1.788 64.082 62.300 -0.010 0.000 1.035 346 V CB -0.898 30.921 31.823 -0.008 0.000 0.658 346 V HN 0.522 nan 8.190 nan 0.000 0.452 347 A N -0.580 122.234 122.820 -0.009 0.000 1.883 347 A HA -0.318 4.002 4.320 -0.000 0.000 0.217 347 A C 2.159 179.737 177.584 -0.011 0.000 1.186 347 A CA 2.194 54.226 52.037 -0.009 0.000 0.624 347 A CB -0.521 18.474 19.000 -0.007 0.000 0.822 347 A HN 0.635 nan 8.150 nan 0.000 0.444 348 Q N -0.424 119.369 119.800 -0.012 0.000 1.956 348 Q HA -0.184 4.156 4.340 -0.000 0.000 0.208 348 Q C 2.148 178.138 176.000 -0.017 0.000 0.998 348 Q CA 1.878 57.673 55.803 -0.014 0.000 0.855 348 Q CB -0.462 28.267 28.738 -0.015 0.000 0.928 348 Q HN 0.739 nan 8.270 nan 0.000 0.418 349 I N 0.344 120.902 120.570 -0.019 0.000 2.194 349 I HA -0.332 3.838 4.170 -0.000 0.000 0.246 349 I C 2.655 178.758 176.117 -0.023 0.000 1.093 349 I CA 1.377 62.663 61.300 -0.024 0.000 1.355 349 I CB -0.388 37.596 38.000 -0.026 0.000 1.046 349 I HN 0.191 nan 8.210 nan 0.000 0.413 350 R N 0.723 121.212 120.500 -0.018 0.000 2.105 350 R HA -0.235 4.104 4.340 -0.000 0.000 0.239 350 R C 2.412 178.703 176.300 -0.015 0.000 1.135 350 R CA 1.653 57.743 56.100 -0.016 0.000 0.967 350 R CB -0.226 30.066 30.300 -0.013 0.000 0.861 350 R HN 0.419 nan 8.270 nan 0.000 0.442 351 Q N -0.060 119.732 119.800 -0.014 0.000 2.187 351 Q HA -0.150 4.190 4.340 -0.000 0.000 0.199 351 Q C 1.751 177.743 176.000 -0.014 0.000 0.957 351 Q CA 1.182 56.978 55.803 -0.012 0.000 0.857 351 Q CB 0.211 28.943 28.738 -0.011 0.000 0.929 351 Q HN 0.528 nan 8.270 nan 0.000 0.453 352 Q N 0.090 119.880 119.800 -0.017 0.000 2.291 352 Q HA -0.091 4.249 4.340 -0.000 0.000 0.206 352 Q C 1.931 177.919 176.000 -0.020 0.000 0.976 352 Q CA 0.865 56.657 55.803 -0.019 0.000 0.875 352 Q CB 0.038 28.761 28.738 -0.024 0.000 0.927 352 Q HN 0.466 nan 8.270 nan 0.000 0.450 353 I N 0.862 121.419 120.570 -0.022 0.000 2.756 353 I HA -0.209 3.961 4.170 -0.000 0.000 0.262 353 I C 1.801 177.909 176.117 -0.015 0.000 1.225 353 I CA 0.617 61.904 61.300 -0.022 0.000 1.472 353 I CB -0.096 37.890 38.000 -0.023 0.000 1.094 353 I HN 0.177 nan 8.210 nan 0.000 0.454 354 E N 1.111 121.304 120.200 -0.012 0.000 2.042 354 E HA -0.133 4.216 4.350 -0.000 0.000 0.189 354 E C 1.713 178.309 176.600 -0.006 0.000 0.974 354 E CA 0.939 57.334 56.400 -0.008 0.000 0.806 354 E CB -0.352 29.344 29.700 -0.007 0.000 0.769 354 E HN 0.536 nan 8.360 nan 0.000 0.451 355 E N 1.369 121.564 120.200 -0.007 0.000 2.515 355 E HA 0.065 4.415 4.350 -0.000 0.000 0.201 355 E C 0.277 176.874 176.600 -0.004 0.000 1.071 355 E CA 0.141 56.538 56.400 -0.005 0.000 0.880 355 E CB -0.036 29.660 29.700 -0.007 0.000 0.828 355 E HN 0.081 nan 8.360 nan 0.000 0.540 356 A N 1.829 124.645 122.820 -0.006 0.000 2.505 356 A HA 0.031 4.351 4.320 -0.000 0.000 0.271 356 A C 1.163 178.750 177.584 0.005 0.000 1.112 356 A CA 0.196 52.230 52.037 -0.004 0.000 0.781 356 A CB -0.259 18.735 19.000 -0.011 0.000 1.059 356 A HN 0.225 nan 8.150 nan 0.000 0.508 357 T N -0.377 114.184 114.554 0.011 0.000 3.206 357 T HA 0.407 4.757 4.350 -0.000 0.000 0.253 357 T C 0.327 175.043 174.700 0.027 0.000 1.042 357 T CA 0.321 62.431 62.100 0.016 0.000 0.931 357 T CB -0.350 68.526 68.868 0.014 0.000 1.029 357 T HN 0.839 nan 8.240 nan 0.000 0.564 358 S N -0.454 115.266 115.700 0.034 0.000 2.543 358 S HA 0.304 4.774 4.470 -0.000 0.000 0.273 358 S C -0.032 174.605 174.600 0.062 0.000 1.152 358 S CA -0.626 57.609 58.200 0.059 0.000 0.910 358 S CB 1.496 64.751 63.200 0.091 0.000 1.105 358 S HN 0.088 nan 8.310 nan 0.000 0.465 359 D N 2.198 122.640 120.400 0.071 0.000 2.104 359 D HA -0.134 4.506 4.640 -0.000 0.000 0.194 359 D C 1.381 177.732 176.300 0.084 0.000 0.994 359 D CA 1.734 55.772 54.000 0.065 0.000 0.830 359 D CB -0.242 40.599 40.800 0.068 0.000 0.959 359 D HN 0.726 nan 8.370 nan 0.000 0.452 360 Y N 2.116 122.418 120.300 0.004 0.000 2.097 360 Y HA -0.245 4.305 4.550 -0.000 0.000 0.282 360 Y C 1.750 177.649 175.900 -0.001 0.000 1.152 360 Y CA 2.065 60.168 58.100 0.005 0.000 1.136 360 Y CB -0.443 38.022 38.460 0.008 0.000 0.975 360 Y HN -0.133 nan 8.280 nan 0.000 0.498 361 D N -0.402 119.989 120.400 -0.016 0.000 2.123 361 D HA -0.191 4.448 4.640 -0.000 0.000 0.196 361 D C 2.293 178.514 176.300 -0.132 0.000 0.992 361 D CA 1.696 55.629 54.000 -0.110 0.000 0.833 361 D CB -0.325 40.480 40.800 0.008 0.000 0.954 361 D HN 0.312 nan 8.370 nan 0.000 0.455 362 R N 0.648 121.105 120.500 -0.071 0.000 2.073 362 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 362 R C 1.902 178.150 176.300 -0.087 0.000 1.134 362 R CA 1.323 57.388 56.100 -0.060 0.000 0.952 362 R CB 0.031 30.316 30.300 -0.025 0.000 0.850 362 R HN 0.260 nan 8.270 nan 0.000 0.433 363 E N 0.101 120.236 120.200 -0.108 0.000 2.077 363 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 363 E C 1.988 178.491 176.600 -0.161 0.000 0.989 363 E CA 0.902 57.235 56.400 -0.112 0.000 0.800 363 E CB 0.049 29.692 29.700 -0.095 0.000 0.746 363 E HN 0.157 nan 8.360 nan 0.000 0.452 364 K N 0.839 121.071 120.400 -0.280 0.000 2.063 364 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 364 K C 2.235 178.740 176.600 -0.157 0.000 1.048 364 K CA 0.887 57.011 56.287 -0.271 0.000 0.928 364 K CB -0.422 31.828 32.500 -0.416 0.000 0.713 364 K HN 0.209 nan 8.250 nan 0.000 0.442 365 L N 0.705 121.848 121.223 -0.133 0.000 2.056 365 L HA -0.199 4.141 4.340 -0.000 0.000 0.207 365 L C 2.595 179.427 176.870 -0.064 0.000 1.078 365 L CA 1.210 55.998 54.840 -0.086 0.000 0.749 365 L CB -0.416 41.601 42.059 -0.071 0.000 0.901 365 L HN 0.210 nan 8.230 nan 0.000 0.433 366 Q N -0.162 119.601 119.800 -0.062 0.000 2.135 366 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 366 Q C 2.141 178.118 176.000 -0.039 0.000 0.981 366 Q CA 1.551 57.328 55.803 -0.043 0.000 0.856 366 Q CB -0.045 28.671 28.738 -0.038 0.000 0.902 366 Q HN 0.448 nan 8.270 nan 0.000 0.425 367 E N 0.163 120.333 120.200 -0.050 0.000 2.058 367 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 367 E C 2.067 178.652 176.600 -0.026 0.000 0.997 367 E CA 1.023 57.401 56.400 -0.037 0.000 0.801 367 E CB 0.028 29.700 29.700 -0.048 0.000 0.746 367 E HN 0.277 nan 8.360 nan 0.000 0.450 368 R N 0.172 120.651 120.500 -0.036 0.000 2.066 368 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 368 R C 2.683 178.972 176.300 -0.018 0.000 1.131 368 R CA 1.529 57.614 56.100 -0.026 0.000 0.955 368 R CB -0.575 29.701 30.300 -0.039 0.000 0.851 368 R HN 0.199 nan 8.270 nan 0.000 0.432 369 V N -1.055 118.846 119.914 -0.022 0.000 2.332 369 V HA -0.166 3.954 4.120 -0.000 0.000 0.248 369 V C 2.399 178.487 176.094 -0.010 0.000 1.055 369 V CA 1.786 64.076 62.300 -0.016 0.000 1.038 369 V CB -1.193 30.619 31.823 -0.018 0.000 0.651 369 V HN 0.259 nan 8.190 nan 0.000 0.450 370 A N 0.738 123.552 122.820 -0.011 0.000 1.908 370 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 370 A C 2.350 179.933 177.584 -0.001 0.000 1.181 370 A CA 2.467 54.500 52.037 -0.007 0.000 0.627 370 A CB -0.624 18.371 19.000 -0.008 0.000 0.818 370 A HN 0.640 nan 8.150 nan 0.000 0.445 371 K N -1.177 119.225 120.400 0.004 0.000 2.002 371 K HA -0.088 4.232 4.320 -0.000 0.000 0.209 371 K C 1.932 178.540 176.600 0.014 0.000 1.048 371 K CA 1.319 57.615 56.287 0.015 0.000 0.930 371 K CB -0.374 32.145 32.500 0.031 0.000 0.714 371 K HN 0.316 nan 8.250 nan 0.000 0.438 372 L N 0.941 122.170 121.223 0.010 0.000 1.976 372 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 372 L C 2.318 179.190 176.870 0.004 0.000 1.071 372 L CA 1.911 56.756 54.840 0.008 0.000 0.746 372 L CB -0.864 41.196 42.059 0.002 0.000 0.890 372 L HN 0.158 nan 8.230 nan 0.000 0.432 373 A N -1.128 121.692 122.820 -0.000 0.000 2.015 373 A HA -0.026 4.294 4.320 -0.000 0.000 0.219 373 A C 2.306 179.889 177.584 -0.002 0.000 1.163 373 A CA 1.356 53.392 52.037 -0.002 0.000 0.646 373 A CB -1.269 17.729 19.000 -0.004 0.000 0.806 373 A HN 0.492 nan 8.150 nan 0.000 0.448 374 G N -0.809 107.990 108.800 -0.001 0.000 2.408 374 G HA2 0.320 4.280 3.960 -0.000 0.000 0.217 374 G HA3 0.320 4.280 3.960 -0.000 0.000 0.217 374 G C 1.238 176.136 174.900 -0.003 0.000 1.150 374 G CA 0.821 45.919 45.100 -0.003 0.000 0.776 374 G HN 1.681 nan 8.290 nan 0.000 0.542 375 G N -1.688 107.111 108.800 -0.001 0.000 2.698 375 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.233 375 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.233 375 G C -0.603 174.293 174.900 -0.006 0.000 1.352 375 G CA -0.188 44.911 45.100 -0.002 0.000 0.879 375 G HN 1.092 nan 8.290 nan 0.000 0.567 376 V N 0.342 120.250 119.914 -0.010 0.000 2.623 376 V HA 0.725 4.845 4.120 -0.000 0.000 0.304 376 V C 0.748 176.832 176.094 -0.016 0.000 1.054 376 V CA -0.081 62.209 62.300 -0.015 0.000 0.882 376 V CB 1.322 33.134 31.823 -0.019 0.000 1.002 376 V HN 2.097 nan 8.190 nan 0.000 0.424 377 A N 4.304 127.113 122.820 -0.018 0.000 2.354 377 A HA 0.753 5.073 4.320 -0.000 0.000 0.269 377 A C -0.481 177.092 177.584 -0.018 0.000 1.109 377 A CA -0.283 51.745 52.037 -0.016 0.000 0.800 377 A CB 0.798 19.788 19.000 -0.016 0.000 1.045 377 A HN 0.817 nan 8.150 nan 0.000 0.489 378 V N 4.428 124.333 119.914 -0.015 0.000 2.447 378 V HA 0.289 4.409 4.120 -0.000 0.000 0.292 378 V C -0.380 175.707 176.094 -0.012 0.000 1.021 378 V CA -0.106 62.185 62.300 -0.015 0.000 0.850 378 V CB 1.195 33.009 31.823 -0.015 0.000 1.005 378 V HN 0.748 nan 8.190 nan 0.000 0.426 379 I N 4.853 125.416 120.570 -0.012 0.000 2.331 379 I HA 0.426 4.595 4.170 -0.000 0.000 0.292 379 I C 0.151 176.263 176.117 -0.008 0.000 0.998 379 I CA -0.444 60.850 61.300 -0.009 0.000 1.267 379 I CB 1.226 39.222 38.000 -0.008 0.000 1.386 379 I HN 0.461 nan 8.210 nan 0.000 0.476 380 K N 5.972 126.368 120.400 -0.007 0.000 2.339 380 K HA 0.450 4.769 4.320 -0.000 0.000 0.264 380 K C -0.966 175.631 176.600 -0.005 0.000 0.986 380 K CA -0.670 55.614 56.287 -0.006 0.000 0.866 380 K CB 2.213 34.709 32.500 -0.007 0.000 1.103 380 K HN 0.326 nan 8.250 nan 0.000 0.441 381 V N 2.972 122.884 119.914 -0.004 0.000 2.389 381 V HA 0.199 4.319 4.120 -0.000 0.000 0.264 381 V C 0.852 176.944 176.094 -0.003 0.000 1.049 381 V CA -0.640 61.658 62.300 -0.003 0.000 0.932 381 V CB 0.706 32.528 31.823 -0.002 0.000 1.011 381 V HN 0.884 nan 8.190 nan 0.000 0.475 382 G N 2.971 111.769 108.800 -0.003 0.000 2.504 382 G HA2 0.609 4.569 3.960 -0.000 0.000 0.288 382 G HA3 0.609 4.569 3.960 -0.000 0.000 0.288 382 G C 0.401 175.299 174.900 -0.003 0.000 1.182 382 G CA 0.213 45.311 45.100 -0.003 0.000 0.894 382 G HN 1.081 nan 8.290 nan 0.000 0.521 383 A N -0.996 121.823 122.820 -0.003 0.000 2.461 383 A HA 0.683 5.003 4.320 -0.000 0.000 0.149 383 A C 0.890 178.472 177.584 -0.002 0.000 1.814 383 A CA 1.152 53.188 52.037 -0.002 0.000 1.337 383 A CB -0.562 18.437 19.000 -0.002 0.000 1.556 383 A HN 2.696 nan 8.150 nan 0.000 0.392 384 A N 0.151 122.969 122.820 -0.002 0.000 1.856 384 A HA 0.507 4.827 4.320 -0.000 0.000 0.234 384 A C 0.874 178.456 177.584 -0.002 0.000 1.328 384 A CA 1.224 53.259 52.037 -0.002 0.000 0.673 384 A CB -2.458 16.541 19.000 -0.002 0.000 1.190 384 A HN 3.200 nan 8.150 nan 0.000 0.248 385 T N -1.282 113.270 114.554 -0.002 0.000 0.734 385 T HA -0.026 4.324 4.350 -0.000 0.000 0.757 385 T C 0.240 174.939 174.700 -0.002 0.000 0.988 385 T CA 1.227 63.325 62.100 -0.002 0.000 3.992 385 T CB -1.320 67.547 68.868 -0.002 0.000 2.261 385 T HN 1.950 nan 8.240 nan 0.000 0.400 386 E N 1.496 121.695 120.200 -0.002 0.000 2.147 386 E HA -0.190 4.160 4.350 -0.000 0.000 0.199 386 E C 1.986 178.585 176.600 -0.002 0.000 1.005 386 E CA 2.394 58.793 56.400 -0.002 0.000 0.810 386 E CB -0.125 29.574 29.700 -0.002 0.000 0.736 386 E HN 0.687 nan 8.360 nan 0.000 0.460 387 V N 1.176 121.089 119.914 -0.002 0.000 2.237 387 V HA -0.284 3.836 4.120 -0.000 0.000 0.245 387 V C 2.148 178.242 176.094 -0.001 0.000 1.046 387 V CA 2.382 64.681 62.300 -0.001 0.000 1.007 387 V CB -0.713 31.109 31.823 -0.001 0.000 0.638 387 V HN 0.319 nan 8.190 nan 0.000 0.445 388 E N -0.322 119.877 120.200 -0.002 0.000 2.118 388 E HA -0.277 4.073 4.350 -0.000 0.000 0.195 388 E C 2.185 178.784 176.600 -0.001 0.000 0.992 388 E CA 1.573 57.972 56.400 -0.002 0.000 0.804 388 E CB -0.285 29.414 29.700 -0.002 0.000 0.741 388 E HN 0.441 nan 8.360 nan 0.000 0.458 389 M N 1.233 120.832 119.600 -0.001 0.000 2.059 389 M HA -0.181 4.299 4.480 -0.000 0.000 0.259 389 M C 1.812 178.111 176.300 -0.001 0.000 1.072 389 M CA 1.649 56.949 55.300 -0.001 0.000 1.117 389 M CB -0.240 32.359 32.600 -0.002 0.000 1.320 389 M HN -0.114 nan 8.290 nan 0.000 0.408 390 K N 0.324 120.723 120.400 -0.001 0.000 2.063 390 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 390 K C 1.953 178.553 176.600 0.001 0.000 1.048 390 K CA 1.267 57.554 56.287 0.000 0.000 0.928 390 K CB -0.785 31.715 32.500 0.000 0.000 0.713 390 K HN 0.473 nan 8.250 nan 0.000 0.442 391 E N 1.568 121.768 120.200 0.000 0.000 2.017 391 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 391 E C 2.022 178.622 176.600 0.000 0.000 0.997 391 E CA 1.415 57.815 56.400 -0.000 0.000 0.804 391 E CB -0.033 29.666 29.700 -0.001 0.000 0.757 391 E HN 0.211 nan 8.360 nan 0.000 0.448 392 K N 0.881 121.281 120.400 0.000 0.000 2.103 392 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 392 K C 2.353 178.954 176.600 0.002 0.000 1.048 392 K CA 1.654 57.941 56.287 0.001 0.000 0.930 392 K CB -0.150 32.349 32.500 -0.000 0.000 0.716 392 K HN -0.040 nan 8.250 nan 0.000 0.444 393 K N 0.162 120.563 120.400 0.002 0.000 2.063 393 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 393 K C 1.921 178.524 176.600 0.006 0.000 1.048 393 K CA 1.389 57.678 56.287 0.003 0.000 0.928 393 K CB -0.191 32.310 32.500 0.002 0.000 0.713 393 K HN 0.231 nan 8.250 nan 0.000 0.442 394 A N 1.463 124.287 122.820 0.006 0.000 1.873 394 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 394 A C 2.106 179.695 177.584 0.009 0.000 1.186 394 A CA 1.342 53.383 52.037 0.008 0.000 0.616 394 A CB -0.482 18.521 19.000 0.005 0.000 0.823 394 A HN 0.331 nan 8.150 nan 0.000 0.442 395 R N -0.647 119.857 120.500 0.006 0.000 2.105 395 R HA -0.103 4.236 4.340 -0.000 0.000 0.239 395 R C 2.027 178.334 176.300 0.011 0.000 1.135 395 R CA 1.468 57.572 56.100 0.006 0.000 0.967 395 R CB -0.538 29.764 30.300 0.003 0.000 0.861 395 R HN 0.417 nan 8.270 nan 0.000 0.442 396 V N 1.011 120.931 119.914 0.010 0.000 2.307 396 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 396 V C 2.000 178.105 176.094 0.019 0.000 1.045 396 V CA 1.771 64.077 62.300 0.011 0.000 1.024 396 V CB -0.406 31.421 31.823 0.006 0.000 0.651 396 V HN 0.340 nan 8.190 nan 0.000 0.449 397 E N -0.252 119.962 120.200 0.022 0.000 2.097 397 E HA -0.263 4.087 4.350 -0.000 0.000 0.196 397 E C 2.050 178.688 176.600 0.063 0.000 1.000 397 E CA 1.615 58.037 56.400 0.037 0.000 0.804 397 E CB -0.171 29.550 29.700 0.035 0.000 0.740 397 E HN 0.581 nan 8.360 nan 0.000 0.454 398 D N -0.048 120.380 120.400 0.047 0.000 2.078 398 D HA -0.130 4.510 4.640 -0.000 0.000 0.193 398 D C 1.975 178.313 176.300 0.062 0.000 0.990 398 D CA 1.349 55.379 54.000 0.050 0.000 0.827 398 D CB -0.195 40.616 40.800 0.018 0.000 0.975 398 D HN 0.141 nan 8.370 nan 0.000 0.451 399 A N 0.887 123.731 122.820 0.039 0.000 1.986 399 A HA -0.191 4.128 4.320 -0.000 0.000 0.220 399 A C 2.170 179.780 177.584 0.044 0.000 1.171 399 A CA 1.098 53.156 52.037 0.034 0.000 0.640 399 A CB -0.662 18.349 19.000 0.019 0.000 0.811 399 A HN 0.265 nan 8.150 nan 0.000 0.451 400 L N -1.083 120.167 121.223 0.046 0.000 2.017 400 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 400 L C 2.372 179.272 176.870 0.049 0.000 1.073 400 L CA 2.472 57.330 54.840 0.030 0.000 0.745 400 L CB -0.833 41.233 42.059 0.012 0.000 0.894 400 L HN 0.565 nan 8.230 nan 0.000 0.432 401 H N -0.455 118.613 119.070 -0.003 0.000 2.387 401 H HA -0.041 4.515 4.556 -0.000 0.000 0.299 401 H C 1.998 177.327 175.328 0.001 0.000 1.090 401 H CA 1.408 57.455 56.048 -0.002 0.000 1.332 401 H CB 0.099 29.860 29.762 -0.002 0.000 1.386 401 H HN 0.482 nan 8.280 nan 0.000 0.516 402 A N -0.323 122.594 122.820 0.162 0.000 1.855 402 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 402 A C 2.672 180.296 177.584 0.067 0.000 1.191 402 A CA 2.037 54.130 52.037 0.093 0.000 0.613 402 A CB -0.980 18.051 19.000 0.051 0.000 0.829 402 A HN 0.448 nan 8.150 nan 0.000 0.442 403 T N -0.492 114.091 114.554 0.048 0.000 2.788 403 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 403 T C 2.148 176.861 174.700 0.022 0.000 1.044 403 T CA 1.262 63.379 62.100 0.028 0.000 1.139 403 T CB -0.252 68.626 68.868 0.017 0.000 0.867 403 T HN 0.266 nan 8.240 nan 0.000 0.454 404 R N 1.254 121.765 120.500 0.018 0.000 2.080 404 R HA 0.019 4.359 4.340 -0.000 0.000 0.236 404 R C 2.658 178.969 176.300 0.019 0.000 1.137 404 R CA 1.826 57.924 56.100 -0.004 0.000 0.943 404 R CB -1.100 29.165 30.300 -0.058 0.000 0.846 404 R HN 0.443 nan 8.270 nan 0.000 0.431 405 A N 0.372 123.224 122.820 0.053 0.000 1.933 405 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 405 A C 2.349 179.957 177.584 0.039 0.000 1.175 405 A CA 1.864 53.936 52.037 0.059 0.000 0.628 405 A CB -0.619 18.435 19.000 0.089 0.000 0.814 405 A HN 0.415 nan 8.150 nan 0.000 0.444 406 A N -0.623 122.218 122.820 0.034 0.000 1.902 406 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 406 A C 2.179 179.774 177.584 0.018 0.000 1.181 406 A CA 1.761 53.812 52.037 0.025 0.000 0.623 406 A CB -0.881 18.132 19.000 0.022 0.000 0.818 406 A HN 0.397 nan 8.150 nan 0.000 0.443 407 V N 0.068 119.992 119.914 0.015 0.000 2.626 407 V HA -0.229 3.891 4.120 -0.000 0.000 0.252 407 V C 2.330 178.430 176.094 0.011 0.000 1.067 407 V CA 2.178 64.484 62.300 0.010 0.000 1.081 407 V CB -0.679 31.147 31.823 0.005 0.000 0.686 407 V HN 0.644 nan 8.190 nan 0.000 0.468 408 E N -0.228 119.981 120.200 0.014 0.000 2.076 408 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 408 E C 1.388 177.998 176.600 0.016 0.000 0.979 408 E CA 1.059 57.468 56.400 0.015 0.000 0.807 408 E CB 0.094 29.806 29.700 0.019 0.000 0.761 408 E HN 0.651 nan 8.360 nan 0.000 0.454 409 E N -0.524 119.687 120.200 0.018 0.000 2.759 409 E HA 0.233 4.583 4.350 -0.000 0.000 0.220 409 E C 0.142 176.751 176.600 0.016 0.000 0.974 409 E CA 0.058 56.468 56.400 0.016 0.000 1.148 409 E CB 1.640 31.351 29.700 0.018 0.000 1.059 409 E HN 0.224 nan 8.360 nan 0.000 0.493 410 G N 1.228 110.038 108.800 0.016 0.000 2.681 410 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 410 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 410 G C -0.256 174.654 174.900 0.016 0.000 1.353 410 G CA -0.433 44.676 45.100 0.015 0.000 0.872 410 G HN 0.525 nan 8.290 nan 0.000 0.557 411 V N -2.682 117.241 119.914 0.015 0.000 2.914 411 V HA 0.978 5.098 4.120 -0.000 0.000 0.314 411 V C 0.556 176.660 176.094 0.015 0.000 1.084 411 V CA 0.063 62.372 62.300 0.015 0.000 0.963 411 V CB 1.327 33.158 31.823 0.013 0.000 1.025 411 V HN 2.424 nan 8.190 nan 0.000 0.432 412 V N -0.531 119.392 119.914 0.015 0.000 3.160 412 V HA 1.012 5.132 4.120 -0.000 0.000 0.310 412 V C 0.502 176.604 176.094 0.014 0.000 1.181 412 V CA -0.717 61.593 62.300 0.016 0.000 1.047 412 V CB 1.225 33.059 31.823 0.017 0.000 1.068 412 V HN 2.055 nan 8.190 nan 0.000 0.441 413 A N 0.779 123.609 122.820 0.016 0.000 2.540 413 A HA 0.617 4.937 4.320 -0.000 0.000 0.239 413 A C 0.864 178.450 177.584 0.003 0.000 1.061 413 A CA 0.765 52.808 52.037 0.009 0.000 0.758 413 A CB -0.498 18.511 19.000 0.014 0.000 0.991 413 A HN 1.962 nan 8.150 nan 0.000 0.502 414 G N 0.353 109.149 108.800 -0.007 0.000 2.630 414 G HA2 0.531 4.491 3.960 -0.000 0.000 0.223 414 G HA3 0.531 4.491 3.960 -0.000 0.000 0.223 414 G C 1.097 175.990 174.900 -0.012 0.000 1.434 414 G CA -0.081 45.015 45.100 -0.008 0.000 1.057 414 G HN 2.236 nan 8.290 nan 0.000 0.570 415 G N -1.760 107.032 108.800 -0.014 0.000 2.258 415 G HA2 0.207 4.166 3.960 -0.000 0.000 0.274 415 G HA3 0.207 4.166 3.960 -0.000 0.000 0.274 415 G C 1.520 176.423 174.900 0.005 0.000 1.021 415 G CA 1.322 46.416 45.100 -0.010 0.000 0.798 415 G HN 2.446 nan 8.290 nan 0.000 0.507 416 G N -2.545 106.259 108.800 0.006 0.000 2.189 416 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.267 416 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.267 416 G C 1.850 176.759 174.900 0.014 0.000 0.975 416 G CA 1.905 47.011 45.100 0.011 0.000 0.644 416 G HN 2.213 nan 8.290 nan 0.000 0.537 417 V N -1.303 118.618 119.914 0.012 0.000 2.591 417 V HA 0.434 4.553 4.120 -0.000 0.000 0.249 417 V C 2.749 178.858 176.094 0.025 0.000 1.053 417 V CA 1.961 64.272 62.300 0.018 0.000 1.068 417 V CB -0.472 31.355 31.823 0.007 0.000 0.689 417 V HN 1.380 nan 8.190 nan 0.000 0.462 418 A N 0.755 123.588 122.820 0.021 0.000 1.883 418 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 418 A C 2.236 179.834 177.584 0.024 0.000 1.186 418 A CA 2.310 54.362 52.037 0.025 0.000 0.624 418 A CB -0.768 18.244 19.000 0.020 0.000 0.822 418 A HN 0.600 nan 8.150 nan 0.000 0.444 419 L N -1.062 120.173 121.223 0.020 0.000 2.083 419 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 419 L C 2.518 179.401 176.870 0.022 0.000 1.083 419 L CA 1.362 56.214 54.840 0.019 0.000 0.752 419 L CB -0.307 41.762 42.059 0.017 0.000 0.899 419 L HN 0.477 nan 8.230 nan 0.000 0.433 420 I N -0.530 120.055 120.570 0.025 0.000 2.439 420 I HA -0.264 3.906 4.170 -0.000 0.000 0.251 420 I C 2.762 178.901 176.117 0.037 0.000 1.139 420 I CA 0.704 62.021 61.300 0.028 0.000 1.438 420 I CB 0.045 38.062 38.000 0.030 0.000 1.085 420 I HN 0.189 nan 8.210 nan 0.000 0.427 421 R N 0.498 121.024 120.500 0.042 0.000 2.073 421 R HA -0.132 4.207 4.340 -0.000 0.000 0.234 421 R C 2.006 178.330 176.300 0.039 0.000 1.134 421 R CA 2.139 58.270 56.100 0.051 0.000 0.952 421 R CB -1.121 29.213 30.300 0.057 0.000 0.850 421 R HN 0.217 nan 8.270 nan 0.000 0.433 422 V N 0.939 120.871 119.914 0.031 0.000 2.407 422 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 422 V C 2.299 178.405 176.094 0.021 0.000 1.055 422 V CA 1.918 64.233 62.300 0.024 0.000 1.049 422 V CB -0.755 31.079 31.823 0.019 0.000 0.662 422 V HN 0.585 nan 8.190 nan 0.000 0.455 423 A N 0.340 123.172 122.820 0.021 0.000 1.898 423 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 423 A C 2.538 180.134 177.584 0.019 0.000 1.181 423 A CA 2.044 54.092 52.037 0.018 0.000 0.620 423 A CB -0.776 18.235 19.000 0.017 0.000 0.819 423 A HN 0.693 nan 8.150 nan 0.000 0.442 424 S N -0.104 115.611 115.700 0.025 0.000 2.419 424 S HA -0.153 4.317 4.470 -0.000 0.000 0.233 424 S C 1.657 176.270 174.600 0.022 0.000 1.016 424 S CA 1.560 59.776 58.200 0.026 0.000 0.974 424 S CB -0.356 62.865 63.200 0.036 0.000 0.786 424 S HN 0.598 nan 8.310 nan 0.000 0.492 425 K N 0.458 120.871 120.400 0.022 0.000 2.418 425 K HA 0.268 4.588 4.320 -0.000 0.000 0.195 425 K C 0.809 177.417 176.600 0.013 0.000 1.035 425 K CA 0.445 56.743 56.287 0.018 0.000 1.003 425 K CB -0.128 32.383 32.500 0.019 0.000 0.793 425 K HN 0.428 nan 8.250 nan 0.000 0.494 426 L N 0.109 121.339 121.223 0.013 0.000 2.791 426 L HA 0.227 4.567 4.340 -0.000 0.000 0.239 426 L C 1.686 178.561 176.870 0.008 0.000 1.203 426 L CA -0.329 54.516 54.840 0.009 0.000 1.002 426 L CB 0.191 42.256 42.059 0.009 0.000 1.295 426 L HN 0.044 nan 8.230 nan 0.000 0.504 427 A N 0.255 123.081 122.820 0.009 0.000 1.948 427 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 427 A C 1.721 179.309 177.584 0.006 0.000 1.177 427 A CA 1.889 53.931 52.037 0.008 0.000 0.636 427 A CB -0.202 18.803 19.000 0.008 0.000 0.815 427 A HN 0.392 nan 8.150 nan 0.000 0.449 428 D N -0.950 119.453 120.400 0.006 0.000 2.340 428 D HA 0.100 4.740 4.640 -0.000 0.000 0.220 428 D C 0.381 176.683 176.300 0.004 0.000 1.039 428 D CA -0.140 53.863 54.000 0.004 0.000 0.866 428 D CB -0.223 40.579 40.800 0.004 0.000 0.913 428 D HN 0.348 nan 8.370 nan 0.000 0.523 429 L N 2.128 123.354 121.223 0.004 0.000 2.513 429 L HA 0.039 4.378 4.340 -0.000 0.000 0.272 429 L C 0.184 177.056 176.870 0.003 0.000 1.187 429 L CA 0.567 55.410 54.840 0.004 0.000 0.895 429 L CB 0.088 42.150 42.059 0.004 0.000 1.147 429 L HN -0.206 nan 8.230 nan 0.000 0.483 430 R N 3.356 123.857 120.500 0.003 0.000 2.888 430 R HA 0.728 5.068 4.340 -0.000 0.000 0.264 430 R C -0.159 176.142 176.300 0.002 0.000 1.045 430 R CA -0.352 55.749 56.100 0.002 0.000 0.962 430 R CB 1.464 31.765 30.300 0.002 0.000 1.210 430 R HN 0.800 nan 8.270 nan 0.000 0.479 431 G N -0.409 108.392 108.800 0.002 0.000 3.119 431 G HA2 0.204 4.164 3.960 -0.000 0.000 0.206 431 G HA3 0.204 4.164 3.960 -0.000 0.000 0.206 431 G C -0.036 174.865 174.900 0.002 0.000 1.313 431 G CA -0.267 44.834 45.100 0.002 0.000 1.010 431 G HN 0.413 nan 8.290 nan 0.000 0.578 432 Q N -0.426 119.375 119.800 0.002 0.000 2.425 432 Q HA 0.148 4.488 4.340 -0.000 0.000 0.204 432 Q C -0.194 175.807 176.000 0.002 0.000 0.933 432 Q CA 0.512 56.316 55.803 0.002 0.000 0.939 432 Q CB 0.128 28.866 28.738 0.002 0.000 1.044 432 Q HN 0.604 nan 8.270 nan 0.000 0.513 433 N N -2.581 116.120 118.700 0.002 0.000 3.116 433 N HA 0.010 4.750 4.740 -0.000 0.000 0.244 433 N C -0.195 175.316 175.510 0.002 0.000 1.485 433 N CA -0.536 52.516 53.050 0.002 0.000 0.884 433 N CB 0.423 38.911 38.487 0.002 0.000 1.415 433 N HN -0.308 nan 8.380 nan 0.000 0.524 434 E N -0.223 119.979 120.200 0.002 0.000 2.118 434 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 434 E C 0.435 177.037 176.600 0.003 0.000 0.992 434 E CA 1.587 57.988 56.400 0.002 0.000 0.804 434 E CB -0.302 29.399 29.700 0.002 0.000 0.741 434 E HN 0.594 nan 8.360 nan 0.000 0.458 435 D N 0.050 120.452 120.400 0.003 0.000 2.117 435 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 435 D C 1.884 178.186 176.300 0.004 0.000 0.987 435 D CA 1.051 55.053 54.000 0.004 0.000 0.829 435 D CB -0.201 40.601 40.800 0.004 0.000 0.961 435 D HN 0.390 nan 8.370 nan 0.000 0.460 436 Q N 0.108 119.911 119.800 0.003 0.000 2.167 436 Q HA -0.076 4.264 4.340 -0.000 0.000 0.202 436 Q C 1.708 177.710 176.000 0.003 0.000 0.970 436 Q CA 0.609 56.414 55.803 0.003 0.000 0.855 436 Q CB -0.046 28.694 28.738 0.003 0.000 0.911 436 Q HN 0.251 nan 8.270 nan 0.000 0.438 437 N N 0.231 118.933 118.700 0.003 0.000 2.244 437 N HA -0.099 4.641 4.740 -0.000 0.000 0.183 437 N C 1.819 177.331 175.510 0.004 0.000 1.016 437 N CA 0.813 53.864 53.050 0.003 0.000 0.866 437 N CB -0.121 38.367 38.487 0.003 0.000 0.980 437 N HN 0.043 nan 8.380 nan 0.000 0.430 438 V N 0.673 120.589 119.914 0.004 0.000 2.379 438 V HA -0.087 4.033 4.120 -0.000 0.000 0.245 438 V C 2.408 178.505 176.094 0.004 0.000 1.044 438 V CA 1.880 64.182 62.300 0.004 0.000 1.036 438 V CB -1.119 30.707 31.823 0.004 0.000 0.664 438 V HN 0.308 nan 8.190 nan 0.000 0.453 439 G N 0.062 108.865 108.800 0.005 0.000 2.440 439 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 439 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 439 G C 1.564 176.467 174.900 0.005 0.000 1.154 439 G CA 1.153 46.256 45.100 0.005 0.000 0.767 439 G HN 0.480 nan 8.290 nan 0.000 0.552 440 I N 0.253 120.826 120.570 0.004 0.000 2.179 440 I HA -0.146 4.024 4.170 -0.000 0.000 0.242 440 I C 2.716 178.836 176.117 0.005 0.000 1.088 440 I CA 1.070 62.372 61.300 0.004 0.000 1.357 440 I CB -0.157 37.845 38.000 0.004 0.000 1.051 440 I HN 0.037 nan 8.210 nan 0.000 0.409 441 K N 0.596 120.999 120.400 0.005 0.000 2.097 441 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 441 K C 2.137 178.740 176.600 0.006 0.000 1.049 441 K CA 0.946 57.236 56.287 0.005 0.000 0.933 441 K CB -0.683 31.819 32.500 0.005 0.000 0.717 441 K HN 0.209 nan 8.250 nan 0.000 0.442 442 V N 1.731 121.649 119.914 0.006 0.000 2.287 442 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 442 V C 2.483 178.582 176.094 0.007 0.000 1.053 442 V CA 2.115 64.419 62.300 0.006 0.000 1.027 442 V CB -0.782 31.045 31.823 0.007 0.000 0.646 442 V HN 0.309 nan 8.190 nan 0.000 0.447 443 A N -0.466 122.358 122.820 0.007 0.000 1.898 443 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 443 A C 2.194 179.783 177.584 0.008 0.000 1.181 443 A CA 1.607 53.649 52.037 0.007 0.000 0.620 443 A CB -0.494 18.509 19.000 0.006 0.000 0.819 443 A HN 0.495 nan 8.150 nan 0.000 0.442 444 L N -1.258 119.969 121.223 0.008 0.000 2.083 444 L HA -0.184 4.156 4.340 -0.000 0.000 0.209 444 L C 2.881 179.757 176.870 0.009 0.000 1.083 444 L CA 1.488 56.333 54.840 0.009 0.000 0.752 444 L CB -0.517 41.547 42.059 0.009 0.000 0.899 444 L HN 0.373 nan 8.230 nan 0.000 0.433 445 R N -0.080 120.425 120.500 0.008 0.000 2.066 445 R HA -0.126 4.214 4.340 -0.000 0.000 0.232 445 R C 2.457 178.761 176.300 0.008 0.000 1.131 445 R CA 1.361 57.466 56.100 0.008 0.000 0.955 445 R CB -0.415 29.889 30.300 0.006 0.000 0.851 445 R HN 0.343 nan 8.270 nan 0.000 0.432 446 A N 0.803 123.628 122.820 0.008 0.000 1.978 446 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 446 A C 2.045 179.635 177.584 0.010 0.000 1.170 446 A CA 1.457 53.500 52.037 0.009 0.000 0.636 446 A CB -0.472 18.534 19.000 0.010 0.000 0.810 446 A HN 0.267 nan 8.150 nan 0.000 0.448 447 M N -0.745 118.861 119.600 0.011 0.000 2.629 447 M HA -0.126 4.354 4.480 -0.000 0.000 0.257 447 M C 1.326 177.633 176.300 0.012 0.000 1.071 447 M CA 1.081 56.389 55.300 0.012 0.000 1.077 447 M CB -0.216 32.392 32.600 0.013 0.000 1.423 447 M HN 0.481 nan 8.290 nan 0.000 0.508 448 E N -0.212 119.994 120.200 0.010 0.000 2.452 448 E HA 0.080 4.430 4.350 -0.000 0.000 0.197 448 E C 2.003 178.607 176.600 0.005 0.000 1.022 448 E CA 0.277 56.683 56.400 0.008 0.000 0.890 448 E CB 0.161 29.865 29.700 0.007 0.000 0.918 448 E HN 0.464 nan 8.360 nan 0.000 0.496 449 A N 2.524 125.348 122.820 0.006 0.000 1.859 449 A HA -0.168 4.151 4.320 -0.000 0.000 0.217 449 A C -0.347 177.240 177.584 0.004 0.000 1.198 449 A CA 1.507 53.547 52.037 0.005 0.000 0.629 449 A CB -1.565 17.439 19.000 0.007 0.000 0.830 449 A HN 0.121 nan 8.150 nan 0.000 0.446 450 P HA -0.194 nan 4.420 nan 0.000 0.213 450 P C 1.877 179.181 177.300 0.007 0.000 1.170 450 P CA 1.233 64.338 63.100 0.007 0.000 0.902 450 P CB -0.168 31.537 31.700 0.009 0.000 0.789 451 L N -0.857 120.370 121.223 0.007 0.000 1.989 451 L HA -0.245 4.095 4.340 -0.000 0.000 0.211 451 L C 2.553 179.421 176.870 -0.003 0.000 1.071 451 L CA 1.845 56.690 54.840 0.007 0.000 0.749 451 L CB -0.383 41.680 42.059 0.007 0.000 0.890 451 L HN -0.179 nan 8.230 nan 0.000 0.431 452 R N -0.754 119.740 120.500 -0.010 0.000 2.096 452 R HA -0.282 4.058 4.340 -0.000 0.000 0.240 452 R C 2.328 178.620 176.300 -0.012 0.000 1.139 452 R CA 2.066 58.155 56.100 -0.019 0.000 0.952 452 R CB -0.456 29.835 30.300 -0.014 0.000 0.854 452 R HN 0.409 nan 8.270 nan 0.000 0.436 453 Q N 0.946 120.744 119.800 -0.004 0.000 2.050 453 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 453 Q C 1.868 177.870 176.000 0.004 0.000 0.980 453 Q CA 1.644 57.446 55.803 -0.001 0.000 0.840 453 Q CB -0.195 28.544 28.738 0.001 0.000 0.898 453 Q HN 0.367 nan 8.270 nan 0.000 0.424 454 I N -0.702 119.874 120.570 0.009 0.000 2.127 454 I HA -0.305 3.865 4.170 -0.000 0.000 0.241 454 I C 2.092 178.229 176.117 0.032 0.000 1.075 454 I CA 1.230 62.542 61.300 0.020 0.000 1.334 454 I CB -0.480 37.538 38.000 0.029 0.000 1.040 454 I HN 0.076 nan 8.210 nan 0.000 0.405 455 V N 0.684 120.613 119.914 0.024 0.000 2.392 455 V HA -0.282 3.837 4.120 -0.000 0.000 0.249 455 V C 2.395 178.489 176.094 -0.000 0.000 1.059 455 V CA 1.699 64.003 62.300 0.007 0.000 1.051 455 V CB -0.570 31.196 31.823 -0.096 0.000 0.658 455 V HN 0.356 nan 8.190 nan 0.000 0.455 456 L N 0.820 122.039 121.223 -0.007 0.000 2.017 456 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 456 L C 2.213 179.085 176.870 0.004 0.000 1.073 456 L CA 1.941 56.779 54.840 -0.005 0.000 0.745 456 L CB -0.884 41.172 42.059 -0.006 0.000 0.894 456 L HN 0.317 nan 8.230 nan 0.000 0.432 457 N N -1.109 117.596 118.700 0.008 0.000 2.289 457 N HA -0.169 4.571 4.740 -0.000 0.000 0.184 457 N C 1.697 177.216 175.510 0.014 0.000 1.016 457 N CA 1.567 54.622 53.050 0.009 0.000 0.872 457 N CB -0.709 37.782 38.487 0.007 0.000 0.973 457 N HN 0.429 nan 8.380 nan 0.000 0.433 458 C N -0.575 118.741 119.300 0.026 0.000 2.562 458 C HA 0.266 4.726 4.460 -0.000 0.000 0.266 458 C C 1.624 176.633 174.990 0.032 0.000 1.382 458 C CA 0.301 59.340 59.018 0.036 0.000 1.742 458 C CB -1.089 26.696 27.740 0.075 0.000 1.812 458 C HN 0.619 nan 8.230 nan 0.000 0.559 459 G N 1.164 109.976 108.800 0.020 0.000 2.137 459 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.237 459 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.237 459 G C -0.315 174.593 174.900 0.014 0.000 1.002 459 G CA 0.095 45.204 45.100 0.015 0.000 0.702 459 G HN 0.505 nan 8.290 nan 0.000 0.515 460 E N 0.033 120.238 120.200 0.008 0.000 2.264 460 E HA 0.439 4.789 4.350 -0.000 0.000 0.260 460 E C 0.086 176.664 176.600 -0.036 0.000 0.961 460 E CA -0.849 55.544 56.400 -0.011 0.000 0.834 460 E CB 0.831 30.516 29.700 -0.025 0.000 1.230 460 E HN 0.464 nan 8.360 nan 0.000 0.412 461 E N 1.920 122.094 120.200 -0.044 0.000 2.104 461 E HA 0.080 4.430 4.350 -0.000 0.000 0.278 461 E C -1.677 174.880 176.600 -0.071 0.000 1.127 461 E CA -1.488 54.886 56.400 -0.043 0.000 0.897 461 E CB 0.704 30.387 29.700 -0.028 0.000 1.043 461 E HN 0.130 nan 8.360 nan 0.000 0.410 462 P HA -0.263 nan 4.420 nan 0.000 0.214 462 P C 1.362 178.626 177.300 -0.059 0.000 1.163 462 P CA 1.429 64.488 63.100 -0.068 0.000 0.889 462 P CB 0.190 31.865 31.700 -0.040 0.000 0.790 463 S N -1.175 114.503 115.700 -0.037 0.000 2.400 463 S HA -0.135 4.335 4.470 -0.000 0.000 0.232 463 S C 1.996 176.582 174.600 -0.024 0.000 1.025 463 S CA 1.517 59.702 58.200 -0.024 0.000 0.993 463 S CB -1.768 61.422 63.200 -0.016 0.000 0.808 463 S HN -0.042 nan 8.310 nan 0.000 0.478 464 V N 1.504 121.398 119.914 -0.033 0.000 2.283 464 V HA -0.096 4.024 4.120 -0.000 0.000 0.243 464 V C 2.638 178.720 176.094 -0.020 0.000 1.039 464 V CA 1.479 63.765 62.300 -0.023 0.000 1.016 464 V CB -0.797 31.014 31.823 -0.020 0.000 0.650 464 V HN 0.427 nan 8.190 nan 0.000 0.449 465 V N 0.381 120.245 119.914 -0.084 0.000 2.295 465 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 465 V C 2.749 178.827 176.094 -0.028 0.000 1.049 465 V CA 2.094 64.318 62.300 -0.126 0.000 1.024 465 V CB -1.146 30.374 31.823 -0.505 0.000 0.648 465 V HN 0.557 nan 8.190 nan 0.000 0.447 466 A N 0.414 123.207 122.820 -0.045 0.000 1.892 466 A HA -0.347 3.973 4.320 -0.000 0.000 0.218 466 A C 2.065 179.667 177.584 0.029 0.000 1.188 466 A CA 2.609 54.643 52.037 -0.005 0.000 0.631 466 A CB -0.971 18.022 19.000 -0.012 0.000 0.822 466 A HN 0.634 nan 8.150 nan 0.000 0.447 467 N N -0.833 117.880 118.700 0.021 0.000 2.069 467 N HA -0.131 4.609 4.740 -0.000 0.000 0.191 467 N C 1.716 177.255 175.510 0.049 0.000 1.031 467 N CA 2.420 55.487 53.050 0.027 0.000 0.852 467 N CB -0.463 38.031 38.487 0.011 0.000 1.018 467 N HN 0.415 nan 8.380 nan 0.000 0.423 468 T N -0.336 114.256 114.554 0.063 0.000 2.674 468 T HA -0.086 4.264 4.350 -0.000 0.000 0.265 468 T C 1.951 176.770 174.700 0.197 0.000 1.039 468 T CA 1.445 63.589 62.100 0.074 0.000 1.150 468 T CB -0.517 68.336 68.868 -0.025 0.000 0.864 468 T HN 0.036 nan 8.240 nan 0.000 0.427 469 V N 1.683 121.738 119.914 0.234 0.000 2.324 469 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 469 V C 2.434 178.651 176.094 0.205 0.000 1.060 469 V CA 1.657 64.093 62.300 0.226 0.000 1.042 469 V CB -0.566 31.331 31.823 0.123 0.000 0.650 469 V HN 0.494 nan 8.190 nan 0.000 0.450 470 K N 0.258 120.736 120.400 0.131 0.000 2.097 470 K HA -0.104 4.216 4.320 -0.000 0.000 0.206 470 K C 2.213 178.872 176.600 0.098 0.000 1.049 470 K CA 1.381 57.726 56.287 0.097 0.000 0.933 470 K CB -0.617 31.919 32.500 0.060 0.000 0.717 470 K HN 0.572 nan 8.250 nan 0.000 0.442 471 G N 1.047 109.906 108.800 0.098 0.000 2.498 471 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.219 471 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.219 471 G C 0.777 175.704 174.900 0.046 0.000 1.119 471 G CA 0.719 45.853 45.100 0.058 0.000 0.766 471 G HN 0.369 nan 8.290 nan 0.000 0.552 472 G N -1.082 107.804 108.800 0.143 0.000 2.509 472 G HA2 0.494 4.454 3.960 -0.000 0.000 0.269 472 G HA3 0.494 4.454 3.960 -0.000 0.000 0.269 472 G C -0.867 174.081 174.900 0.080 0.000 1.416 472 G CA -0.400 44.734 45.100 0.056 0.000 1.052 472 G HN 0.145 nan 8.290 nan 0.000 0.542 473 D N -2.257 118.190 120.400 0.079 0.000 2.579 473 D HA 0.489 5.129 4.640 -0.000 0.000 0.257 473 D C 0.903 177.276 176.300 0.121 0.000 1.176 473 D CA 0.557 54.603 54.000 0.077 0.000 0.914 473 D CB 1.900 42.709 40.800 0.015 0.000 1.431 473 D HN 0.799 nan 8.370 nan 0.000 0.454 474 G N 1.208 110.058 108.800 0.083 0.000 2.652 474 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.318 474 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.318 474 G C 0.299 175.262 174.900 0.104 0.000 1.295 474 G CA 0.704 45.852 45.100 0.080 0.000 0.999 474 G HN 0.605 nan 8.290 nan 0.000 0.548 475 N N 0.018 118.780 118.700 0.104 0.000 2.389 475 N HA 0.349 5.089 4.740 -0.000 0.000 0.237 475 N C -0.143 175.446 175.510 0.132 0.000 1.148 475 N CA -0.055 53.051 53.050 0.094 0.000 0.854 475 N CB 0.238 38.761 38.487 0.060 0.000 1.115 475 N HN 0.521 nan 8.380 nan 0.000 0.492 476 Y N 0.906 121.238 120.300 0.053 0.000 2.377 476 Y HA 0.538 5.088 4.550 -0.000 0.000 0.330 476 Y C 0.707 176.670 175.900 0.106 0.000 1.108 476 Y CA -0.079 58.067 58.100 0.077 0.000 1.308 476 Y CB 0.185 38.692 38.460 0.077 0.000 1.216 476 Y HN 0.095 nan 8.280 nan 0.000 0.518 477 G N 4.007 112.504 108.800 -0.506 0.000 2.561 477 G HA2 0.210 4.170 3.960 -0.000 0.000 0.310 477 G HA3 0.210 4.170 3.960 -0.000 0.000 0.310 477 G C -2.453 172.240 174.900 -0.345 0.000 1.292 477 G CA -0.975 43.913 45.100 -0.354 0.000 0.811 477 G HN 0.573 nan 8.290 nan 0.000 0.482 478 Y N 1.473 121.530 120.300 -0.405 0.000 2.330 478 Y HA 0.610 5.160 4.550 0.000 0.000 0.336 478 Y C -0.032 175.656 175.900 -0.353 0.000 1.036 478 Y CA -1.250 56.493 58.100 -0.595 0.000 1.125 478 Y CB 1.595 39.680 38.460 -0.625 0.000 1.194 478 Y HN 0.410 nan 8.280 nan 0.000 0.469 479 N N 5.012 123.249 118.700 -0.771 0.000 2.645 479 N HA 0.180 4.920 4.740 -0.000 0.000 0.233 479 N C 0.524 175.532 175.510 -0.837 0.000 1.058 479 N CA 0.539 53.251 53.050 -0.565 0.000 0.942 479 N CB 1.069 39.326 38.487 -0.384 0.000 1.210 479 N HN 0.932 nan 8.380 nan 0.000 0.512 480 A N 3.680 126.146 122.820 -0.589 0.000 1.986 480 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 480 A C 2.106 179.533 177.584 -0.263 0.000 1.171 480 A CA 1.999 53.814 52.037 -0.371 0.000 0.640 480 A CB -0.618 18.364 19.000 -0.029 0.000 0.811 480 A HN 0.695 nan 8.150 nan 0.000 0.451 481 A N -0.655 122.032 122.820 -0.222 0.000 1.877 481 A HA -0.083 4.237 4.320 -0.000 0.000 0.216 481 A C 2.350 179.841 177.584 -0.156 0.000 1.186 481 A CA 2.483 54.433 52.037 -0.146 0.000 0.620 481 A CB -1.036 17.894 19.000 -0.116 0.000 0.822 481 A HN 0.886 nan 8.150 nan 0.000 0.443 482 T N -3.998 110.426 114.554 -0.217 0.000 3.040 482 T HA 0.254 4.604 4.350 -0.000 0.000 0.250 482 T C 0.308 174.882 174.700 -0.211 0.000 1.058 482 T CA 0.739 62.734 62.100 -0.175 0.000 0.988 482 T CB -0.229 68.552 68.868 -0.144 0.000 0.993 482 T HN 0.588 nan 8.240 nan 0.000 0.519 483 E N 0.626 120.588 120.200 -0.395 0.000 2.791 483 E HA -0.133 4.217 4.350 -0.000 0.000 0.271 483 E C -0.872 175.559 176.600 -0.282 0.000 1.044 483 E CA 0.569 56.740 56.400 -0.382 0.000 0.814 483 E CB -1.099 28.586 29.700 -0.025 0.000 1.400 483 E HN 0.592 nan 8.360 nan 0.000 0.423 484 E N -0.059 119.909 120.200 -0.387 0.000 2.195 484 E HA 0.388 4.738 4.350 -0.000 0.000 0.271 484 E C -0.431 176.033 176.600 -0.226 0.000 0.923 484 E CA -0.601 55.711 56.400 -0.147 0.000 0.790 484 E CB 0.837 30.493 29.700 -0.073 0.000 1.155 484 E HN 0.044 nan 8.360 nan 0.000 0.402 485 Y N 0.218 120.509 120.300 -0.016 0.000 2.354 485 Y HA 0.619 5.169 4.550 -0.000 0.000 0.322 485 Y C 1.257 177.139 175.900 -0.029 0.000 1.253 485 Y CA 0.412 58.465 58.100 -0.077 0.000 1.272 485 Y CB 1.648 40.106 38.460 -0.004 0.000 1.255 485 Y HN 0.672 nan 8.280 nan 0.000 0.500 486 G N 0.649 109.475 108.800 0.043 0.000 2.351 486 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.279 486 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.279 486 G C -1.766 173.213 174.900 0.133 0.000 1.297 486 G CA -1.192 44.020 45.100 0.187 0.000 0.886 486 G HN 0.542 nan 8.290 nan 0.000 0.493 487 N N 1.183 119.963 118.700 0.133 0.000 2.401 487 N HA 0.138 4.878 4.740 -0.000 0.000 0.255 487 N C 1.746 177.275 175.510 0.031 0.000 1.110 487 N CA -0.501 52.610 53.050 0.101 0.000 0.949 487 N CB 0.807 39.348 38.487 0.090 0.000 1.110 487 N HN 0.381 nan 8.380 nan 0.000 0.490 488 M N 3.496 123.101 119.600 0.009 0.000 2.108 488 M HA -0.180 4.300 4.480 -0.000 0.000 0.261 488 M C 1.639 177.934 176.300 -0.009 0.000 1.066 488 M CA 1.170 56.458 55.300 -0.021 0.000 1.107 488 M CB -0.588 31.998 32.600 -0.023 0.000 1.356 488 M HN 0.558 nan 8.290 nan 0.000 0.406 489 I N 0.298 120.874 120.570 0.009 0.000 2.202 489 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 489 I C 1.920 178.041 176.117 0.006 0.000 1.091 489 I CA 1.404 62.709 61.300 0.009 0.000 1.368 489 I CB -1.719 36.291 38.000 0.017 0.000 1.058 489 I HN 0.208 nan 8.210 nan 0.000 0.410 490 D N 0.970 121.378 120.400 0.013 0.000 2.133 490 D HA -0.184 4.455 4.640 -0.000 0.000 0.195 490 D C 2.204 178.504 176.300 0.000 0.000 0.997 490 D CA 1.302 55.309 54.000 0.012 0.000 0.840 490 D CB -0.264 40.549 40.800 0.023 0.000 0.947 490 D HN 0.323 nan 8.370 nan 0.000 0.452 491 M N -0.575 119.020 119.600 -0.009 0.000 2.686 491 M HA 0.097 4.577 4.480 -0.000 0.000 0.246 491 M C 0.988 177.270 176.300 -0.029 0.000 1.096 491 M CA 0.658 55.943 55.300 -0.025 0.000 1.076 491 M CB 0.117 32.688 32.600 -0.047 0.000 1.504 491 M HN 0.086 nan 8.290 nan 0.000 0.524 492 G N 2.211 111.000 108.800 -0.019 0.000 2.221 492 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.265 492 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.265 492 G C -0.056 174.830 174.900 -0.024 0.000 1.041 492 G CA -0.146 44.943 45.100 -0.018 0.000 0.807 492 G HN 0.555 nan 8.290 nan 0.000 0.502 493 I N 0.700 121.253 120.570 -0.029 0.000 2.460 493 I HA 0.462 4.632 4.170 -0.000 0.000 0.277 493 I C 0.206 176.310 176.117 -0.022 0.000 1.057 493 I CA -0.864 60.415 61.300 -0.034 0.000 1.179 493 I CB 0.488 38.454 38.000 -0.057 0.000 1.329 493 I HN 0.205 nan 8.210 nan 0.000 0.478 494 L N 3.065 124.280 121.223 -0.013 0.000 2.322 494 L HA 0.820 5.160 4.340 -0.000 0.000 0.252 494 L C -1.087 175.782 176.870 -0.001 0.000 1.055 494 L CA -0.678 54.159 54.840 -0.005 0.000 0.849 494 L CB 1.387 43.447 42.059 0.001 0.000 1.446 494 L HN 0.034 nan 8.230 nan 0.000 0.416 495 D N -0.754 119.649 120.400 0.004 0.000 2.819 495 D HA 0.446 5.086 4.640 -0.000 0.000 0.232 495 D C -2.822 173.486 176.300 0.013 0.000 1.160 495 D CA -1.080 52.925 54.000 0.008 0.000 0.858 495 D CB 2.763 43.568 40.800 0.008 0.000 1.610 495 D HN 0.368 nan 8.370 nan 0.000 0.481 496 P HA 0.085 nan 4.420 nan 0.000 0.267 496 P C 0.867 178.181 177.300 0.022 0.000 1.205 496 P CA 0.066 63.179 63.100 0.022 0.000 0.765 496 P CB 0.667 32.385 31.700 0.031 0.000 0.828 497 T N 2.564 117.130 114.554 0.020 0.000 2.721 497 T HA -0.244 4.106 4.350 -0.000 0.000 0.268 497 T C 1.615 176.328 174.700 0.021 0.000 1.038 497 T CA 1.404 63.515 62.100 0.019 0.000 1.145 497 T CB -0.318 68.560 68.868 0.016 0.000 0.858 497 T HN 0.504 nan 8.240 nan 0.000 0.459 498 K N 0.832 121.248 120.400 0.026 0.000 2.103 498 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 498 K C 2.448 179.072 176.600 0.041 0.000 1.048 498 K CA 1.525 57.832 56.287 0.033 0.000 0.930 498 K CB -0.315 32.210 32.500 0.043 0.000 0.716 498 K HN 0.371 nan 8.250 nan 0.000 0.444 499 V N -0.548 119.389 119.914 0.039 0.000 2.453 499 V HA -0.138 3.982 4.120 -0.000 0.000 0.247 499 V C 1.758 177.875 176.094 0.039 0.000 1.048 499 V CA 2.238 64.563 62.300 0.041 0.000 1.049 499 V CB -0.578 31.260 31.823 0.026 0.000 0.672 499 V HN 0.274 nan 8.190 nan 0.000 0.457 500 T N 0.546 115.117 114.554 0.028 0.000 2.777 500 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 500 T C 1.957 176.671 174.700 0.023 0.000 1.040 500 T CA 2.058 64.173 62.100 0.024 0.000 1.141 500 T CB -0.365 68.514 68.868 0.018 0.000 0.868 500 T HN 0.629 nan 8.240 nan 0.000 0.444 501 R N 0.917 121.427 120.500 0.017 0.000 2.083 501 R HA -0.103 4.237 4.340 -0.000 0.000 0.237 501 R C 2.550 178.847 176.300 -0.006 0.000 1.137 501 R CA 1.883 57.984 56.100 0.001 0.000 0.951 501 R CB -0.414 29.883 30.300 -0.004 0.000 0.851 501 R HN 0.222 nan 8.270 nan 0.000 0.434 502 S N 0.522 116.237 115.700 0.024 0.000 2.356 502 S HA -0.146 4.324 4.470 -0.000 0.000 0.223 502 S C 2.042 176.730 174.600 0.147 0.000 1.032 502 S CA 1.211 59.449 58.200 0.064 0.000 1.005 502 S CB -0.357 62.950 63.200 0.178 0.000 0.867 502 S HN 0.593 nan 8.310 nan 0.000 0.449 503 A N 1.397 124.292 122.820 0.125 0.000 1.892 503 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 503 A C 2.152 179.791 177.584 0.091 0.000 1.188 503 A CA 1.708 53.815 52.037 0.117 0.000 0.631 503 A CB -0.793 18.245 19.000 0.065 0.000 0.822 503 A HN 0.423 nan 8.150 nan 0.000 0.447 504 L N -0.232 121.019 121.223 0.045 0.000 2.005 504 L HA -0.177 4.163 4.340 -0.000 0.000 0.207 504 L C 2.503 179.376 176.870 0.005 0.000 1.072 504 L CA 2.421 57.274 54.840 0.023 0.000 0.744 504 L CB -0.891 41.173 42.059 0.007 0.000 0.895 504 L HN 0.523 nan 8.230 nan 0.000 0.433 505 Q N -1.719 118.052 119.800 -0.048 0.000 2.084 505 Q HA -0.233 4.107 4.340 -0.000 0.000 0.202 505 Q C 2.171 178.098 176.000 -0.123 0.000 0.978 505 Q CA 2.037 57.765 55.803 -0.125 0.000 0.844 505 Q CB -0.363 28.233 28.738 -0.237 0.000 0.898 505 Q HN 0.515 nan 8.270 nan 0.000 0.426 506 Y N 0.341 120.643 120.300 0.003 0.000 2.200 506 Y HA -0.166 4.384 4.550 -0.000 0.000 0.290 506 Y C 2.434 178.335 175.900 0.002 0.000 1.137 506 Y CA 0.924 59.025 58.100 0.002 0.000 1.163 506 Y CB -0.730 37.730 38.460 0.001 0.000 0.988 506 Y HN 0.125 nan 8.280 nan 0.000 0.518 507 A N 0.118 123.035 122.820 0.161 0.000 1.865 507 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 507 A C 2.478 180.099 177.584 0.062 0.000 1.191 507 A CA 2.203 54.294 52.037 0.091 0.000 0.623 507 A CB -1.356 17.682 19.000 0.063 0.000 0.826 507 A HN 0.398 nan 8.150 nan 0.000 0.444 508 A N -0.870 121.975 122.820 0.042 0.000 1.972 508 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 508 A C 2.460 180.060 177.584 0.026 0.000 1.169 508 A CA 2.241 54.292 52.037 0.023 0.000 0.635 508 A CB -0.915 18.088 19.000 0.005 0.000 0.810 508 A HN 0.620 nan 8.150 nan 0.000 0.446 509 S N -0.856 114.866 115.700 0.037 0.000 2.343 509 S HA -0.143 4.327 4.470 -0.000 0.000 0.219 509 S C 1.979 176.610 174.600 0.052 0.000 1.033 509 S CA 1.770 59.996 58.200 0.044 0.000 1.014 509 S CB -0.601 62.641 63.200 0.070 0.000 0.915 509 S HN 0.578 nan 8.310 nan 0.000 0.435 510 V N 1.699 121.653 119.914 0.068 0.000 2.515 510 V HA 0.039 4.159 4.120 -0.000 0.000 0.250 510 V C 2.560 178.675 176.094 0.036 0.000 1.058 510 V CA 1.927 64.258 62.300 0.051 0.000 1.064 510 V CB -1.017 30.837 31.823 0.050 0.000 0.675 510 V HN 0.597 nan 8.190 nan 0.000 0.461 511 A N 0.091 122.931 122.820 0.034 0.000 1.898 511 A HA -0.010 4.310 4.320 -0.000 0.000 0.216 511 A C 2.368 179.965 177.584 0.021 0.000 1.181 511 A CA 1.777 53.829 52.037 0.025 0.000 0.620 511 A CB -1.381 17.633 19.000 0.023 0.000 0.819 511 A HN 0.638 nan 8.150 nan 0.000 0.442 512 G N -0.193 108.620 108.800 0.021 0.000 2.422 512 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 512 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 512 G C 1.545 176.456 174.900 0.018 0.000 1.146 512 G CA 1.030 46.140 45.100 0.017 0.000 0.769 512 G HN 0.431 nan 8.290 nan 0.000 0.547 513 L N -0.349 120.887 121.223 0.022 0.000 2.056 513 L HA -0.010 4.330 4.340 -0.000 0.000 0.207 513 L C 3.094 179.976 176.870 0.020 0.000 1.078 513 L CA 0.929 55.782 54.840 0.021 0.000 0.749 513 L CB -0.303 41.771 42.059 0.024 0.000 0.901 513 L HN 0.240 nan 8.230 nan 0.000 0.433 514 M N -0.619 118.993 119.600 0.021 0.000 2.132 514 M HA -0.183 4.297 4.480 -0.000 0.000 0.263 514 M C 2.297 178.608 176.300 0.018 0.000 1.065 514 M CA 1.725 57.037 55.300 0.020 0.000 1.122 514 M CB -0.279 32.333 32.600 0.020 0.000 1.365 514 M HN 0.178 nan 8.290 nan 0.000 0.411 515 I N 0.151 120.731 120.570 0.017 0.000 2.423 515 I HA -0.233 3.937 4.170 -0.000 0.000 0.254 515 I C 1.741 177.867 176.117 0.016 0.000 1.151 515 I CA 1.481 62.790 61.300 0.015 0.000 1.421 515 I CB -0.521 37.487 38.000 0.014 0.000 1.079 515 I HN 0.401 nan 8.210 nan 0.000 0.431 516 T N -3.216 111.348 114.554 0.017 0.000 3.251 516 T HA 0.166 4.516 4.350 -0.000 0.000 0.259 516 T C 0.454 175.167 174.700 0.021 0.000 0.998 516 T CA -0.322 61.789 62.100 0.018 0.000 0.905 516 T CB -0.373 68.505 68.868 0.017 0.000 1.067 516 T HN -0.066 nan 8.240 nan 0.000 0.569 517 T N 2.082 116.648 114.554 0.020 0.000 2.799 517 T HA 0.356 4.706 4.350 -0.000 0.000 0.286 517 T C 0.527 175.241 174.700 0.024 0.000 0.973 517 T CA -0.558 61.555 62.100 0.020 0.000 1.035 517 T CB 1.669 70.547 68.868 0.017 0.000 0.932 517 T HN 0.099 nan 8.240 nan 0.000 0.469 518 E N 0.509 120.728 120.200 0.032 0.000 2.485 518 E HA 0.180 4.530 4.350 -0.000 0.000 0.213 518 E C 0.060 176.689 176.600 0.047 0.000 0.923 518 E CA 0.117 56.552 56.400 0.059 0.000 1.054 518 E CB 0.799 30.551 29.700 0.088 0.000 1.077 518 E HN 0.564 nan 8.360 nan 0.000 0.509 519 C N 0.587 119.874 119.300 -0.022 0.000 2.888 519 C HA 0.705 5.165 4.460 -0.000 0.000 0.308 519 C C -1.348 173.565 174.990 -0.128 0.000 1.213 519 C CA -0.576 58.337 59.018 -0.174 0.000 1.461 519 C CB 0.590 28.222 27.740 -0.180 0.000 1.934 519 C HN 0.129 nan 8.230 nan 0.000 0.474 520 M N 5.003 124.509 119.600 -0.157 0.000 2.327 520 M HA 0.545 5.025 4.480 -0.000 0.000 0.298 520 M C -1.180 175.161 176.300 0.069 0.000 1.065 520 M CA -0.526 54.792 55.300 0.029 0.000 0.916 520 M CB 2.076 34.808 32.600 0.221 0.000 1.630 520 M HN 0.378 nan 8.290 nan 0.000 0.442 521 V N 1.401 121.324 119.914 0.015 0.000 2.495 521 V HA 0.816 4.936 4.120 -0.000 0.000 0.298 521 V C -0.230 175.810 176.094 -0.090 0.000 1.031 521 V CA -0.383 61.909 62.300 -0.014 0.000 0.871 521 V CB 1.951 33.754 31.823 -0.034 0.000 0.988 521 V HN 0.959 nan 8.190 nan 0.000 0.432 522 T N 1.747 116.211 114.554 -0.150 0.000 2.762 522 T HA 0.328 4.678 4.350 -0.000 0.000 0.301 522 T C -1.505 173.091 174.700 -0.173 0.000 1.299 522 T CA -0.599 61.353 62.100 -0.247 0.000 1.005 522 T CB 1.963 70.507 68.868 -0.539 0.000 1.377 522 T HN 0.656 nan 8.240 nan 0.000 0.504 523 D N 1.553 121.859 120.400 -0.156 0.000 2.362 523 D HA 0.264 4.904 4.640 -0.000 0.000 0.242 523 D C -0.055 176.191 176.300 -0.089 0.000 1.132 523 D CA -0.210 53.732 54.000 -0.096 0.000 0.907 523 D CB 0.740 41.492 40.800 -0.078 0.000 1.195 523 D HN 0.231 nan 8.370 nan 0.000 0.429 524 L N 3.484 124.682 121.223 -0.042 0.000 2.416 524 L HA 0.177 4.517 4.340 -0.000 0.000 0.272 524 L C -1.297 175.560 176.870 -0.023 0.000 1.161 524 L CA -1.035 53.796 54.840 -0.016 0.000 0.845 524 L CB -0.346 41.715 42.059 0.002 0.000 1.119 524 L HN 0.286 nan 8.230 nan 0.000 0.464 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.091 63.100 -0.014 0.000 0.800 525 P CB 0.000 31.701 31.700 0.002 0.000 0.726