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 3e76_1_K 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 0.000 177.579 177.584 -0.009 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.016 0.000 0.831 3 A N 2.978 125.794 122.820 -0.006 0.000 2.477 3 A HA 0.581 4.891 4.320 -0.017 0.000 0.246 3 A C 0.270 177.849 177.584 -0.009 0.000 1.078 3 A CA 0.296 52.332 52.037 -0.002 0.000 0.770 3 A CB 0.147 19.148 19.000 0.002 0.000 1.011 3 A HN 0.625 nan 8.150 nan 0.000 0.494 4 K N 1.373 121.771 120.400 -0.003 0.000 2.281 4 K HA 0.435 4.745 4.320 -0.017 0.000 0.242 4 K C -1.422 175.184 176.600 0.011 0.000 0.971 4 K CA -0.717 55.563 56.287 -0.012 0.000 0.834 4 K CB 2.070 34.562 32.500 -0.014 0.000 1.181 4 K HN 0.757 nan 8.250 nan 0.000 0.435 5 D N 0.984 121.391 120.400 0.013 0.000 2.278 5 D HA 0.395 5.025 4.640 -0.017 0.000 0.245 5 D C -1.333 175.060 176.300 0.155 0.000 1.052 5 D CA -0.605 53.453 54.000 0.096 0.000 0.834 5 D CB 1.466 42.354 40.800 0.148 0.000 1.194 5 D HN 0.069 nan 8.370 nan 0.000 0.481 6 V N 4.166 124.146 119.914 0.111 0.000 2.531 6 V HA 0.440 4.550 4.120 -0.017 0.000 0.301 6 V C -0.046 175.925 176.094 -0.205 0.000 1.034 6 V CA -0.813 61.462 62.300 -0.042 0.000 0.865 6 V CB 1.789 33.515 31.823 -0.162 0.000 0.995 6 V HN 0.412 nan 8.190 nan 0.000 0.424 7 K N 3.747 123.942 120.400 -0.342 0.000 2.259 7 K HA 0.742 5.052 4.320 -0.017 0.000 0.252 7 K C -1.588 174.685 176.600 -0.545 0.000 0.936 7 K CA -0.495 55.518 56.287 -0.456 0.000 0.810 7 K CB 2.332 34.415 32.500 -0.696 0.000 1.143 7 K HN 0.446 nan 8.250 nan 0.000 0.427 8 F N 0.376 120.280 119.950 -0.075 0.000 2.522 8 F HA 0.424 4.941 4.527 -0.016 0.000 0.324 8 F C 1.204 176.975 175.800 -0.049 0.000 1.077 8 F CA 0.108 58.084 58.000 -0.040 0.000 0.944 8 F CB 1.786 40.773 39.000 -0.023 0.000 1.175 8 F HN 0.839 nan 8.300 nan 0.000 0.468 9 G N 2.492 111.397 108.800 0.175 0.000 2.611 9 G HA2 -0.416 3.534 3.960 -0.017 0.000 0.301 9 G HA3 -0.416 3.534 3.960 -0.017 0.000 0.301 9 G C 1.264 176.185 174.900 0.035 0.000 1.233 9 G CA 0.660 45.816 45.100 0.092 0.000 0.993 9 G HN 0.684 nan 8.290 nan 0.000 0.553 10 N N 0.767 119.481 118.700 0.023 0.000 2.104 10 N HA -0.141 4.589 4.740 -0.017 0.000 0.190 10 N C 1.869 177.368 175.510 -0.020 0.000 1.024 10 N CA 2.002 55.054 53.050 0.002 0.000 0.853 10 N CB -0.419 38.070 38.487 0.002 0.000 1.008 10 N HN 0.593 nan 8.380 nan 0.000 0.424 11 D N 0.386 120.769 120.400 -0.028 0.000 2.133 11 D HA -0.127 4.503 4.640 -0.017 0.000 0.195 11 D C 1.540 177.758 176.300 -0.136 0.000 0.997 11 D CA 1.197 55.152 54.000 -0.074 0.000 0.840 11 D CB 0.074 40.832 40.800 -0.070 0.000 0.947 11 D HN 0.341 nan 8.370 nan 0.000 0.452 12 A N 0.483 123.227 122.820 -0.127 0.000 1.970 12 A HA -0.065 4.245 4.320 -0.017 0.000 0.216 12 A C 2.318 179.853 177.584 -0.081 0.000 1.170 12 A CA 0.742 52.675 52.037 -0.172 0.000 0.645 12 A CB -0.250 18.674 19.000 -0.128 0.000 0.816 12 A HN 0.140 nan 8.150 nan 0.000 0.447 13 R N -0.279 120.198 120.500 -0.039 0.000 2.073 13 R HA -0.078 4.252 4.340 -0.017 0.000 0.229 13 R C 2.112 178.406 176.300 -0.011 0.000 1.120 13 R CA 1.452 57.545 56.100 -0.010 0.000 0.967 13 R CB -0.520 29.781 30.300 0.001 0.000 0.862 13 R HN 0.538 nan 8.270 nan 0.000 0.436 14 V N -0.332 119.568 119.914 -0.023 0.000 2.594 14 V HA -0.165 3.945 4.120 -0.017 0.000 0.253 14 V C 1.701 177.788 176.094 -0.012 0.000 1.069 14 V CA 1.490 63.780 62.300 -0.017 0.000 1.082 14 V CB -0.398 31.411 31.823 -0.023 0.000 0.680 14 V HN 0.116 nan 8.190 nan 0.000 0.469 15 K N -0.199 120.187 120.400 -0.023 0.000 2.167 15 K HA 0.138 4.447 4.320 -0.017 0.000 0.203 15 K C 2.100 178.728 176.600 0.047 0.000 1.052 15 K CA 1.470 57.763 56.287 0.010 0.000 0.956 15 K CB -0.267 32.229 32.500 -0.007 0.000 0.735 15 K HN 0.511 nan 8.250 nan 0.000 0.451 16 M N 0.343 119.967 119.600 0.040 0.000 2.098 16 M HA -0.146 4.324 4.480 -0.017 0.000 0.262 16 M C 2.242 178.560 176.300 0.030 0.000 1.072 16 M CA 1.096 56.422 55.300 0.044 0.000 1.133 16 M CB -0.284 32.340 32.600 0.039 0.000 1.344 16 M HN 0.018 nan 8.290 nan 0.000 0.414 17 L N 0.519 121.754 121.223 0.020 0.000 2.012 17 L HA -0.225 4.104 4.340 -0.017 0.000 0.210 17 L C 2.455 179.334 176.870 0.015 0.000 1.073 17 L CA 1.952 56.801 54.840 0.015 0.000 0.748 17 L CB -0.584 41.481 42.059 0.010 0.000 0.891 17 L HN 0.165 nan 8.230 nan 0.000 0.431 18 R N -0.404 120.105 120.500 0.015 0.000 2.105 18 R HA -0.102 4.228 4.340 -0.017 0.000 0.239 18 R C 2.132 178.444 176.300 0.020 0.000 1.135 18 R CA 1.659 57.769 56.100 0.016 0.000 0.967 18 R CB -1.016 29.293 30.300 0.016 0.000 0.861 18 R HN 0.511 nan 8.270 nan 0.000 0.442 19 G N -0.301 108.515 108.800 0.027 0.000 2.394 19 G HA2 -0.185 3.765 3.960 -0.017 0.000 0.214 19 G HA3 -0.185 3.765 3.960 -0.017 0.000 0.214 19 G C 1.416 176.328 174.900 0.020 0.000 1.176 19 G CA 0.876 45.992 45.100 0.028 0.000 0.786 19 G HN 0.328 nan 8.290 nan 0.000 0.533 20 V N -0.399 119.527 119.914 0.019 0.000 2.515 20 V HA -0.105 4.005 4.120 -0.017 0.000 0.250 20 V C 2.266 178.367 176.094 0.012 0.000 1.058 20 V CA 2.026 64.335 62.300 0.016 0.000 1.064 20 V CB -0.713 31.121 31.823 0.017 0.000 0.675 20 V HN 0.149 nan 8.190 nan 0.000 0.461 21 N N 0.970 119.677 118.700 0.012 0.000 2.223 21 N HA -0.091 4.639 4.740 -0.017 0.000 0.185 21 N C 1.714 177.228 175.510 0.007 0.000 1.016 21 N CA 1.638 54.694 53.050 0.009 0.000 0.863 21 N CB -0.561 37.931 38.487 0.008 0.000 0.983 21 N HN 0.512 nan 8.380 nan 0.000 0.429 22 V N 1.093 121.012 119.914 0.008 0.000 2.270 22 V HA -0.148 3.961 4.120 -0.017 0.000 0.245 22 V C 2.375 178.471 176.094 0.004 0.000 1.043 22 V CA 1.093 63.397 62.300 0.006 0.000 1.014 22 V CB -0.580 31.247 31.823 0.007 0.000 0.645 22 V HN 0.227 nan 8.190 nan 0.000 0.447 23 L N 0.012 121.238 121.223 0.004 0.000 2.042 23 L HA -0.170 4.160 4.340 -0.017 0.000 0.210 23 L C 2.491 179.361 176.870 0.001 0.000 1.076 23 L CA 1.933 56.773 54.840 0.002 0.000 0.749 23 L CB -0.494 41.566 42.059 0.002 0.000 0.893 23 L HN 0.316 nan 8.230 nan 0.000 0.432 24 A N -0.518 122.304 122.820 0.004 0.000 1.855 24 A HA -0.238 4.072 4.320 -0.017 0.000 0.215 24 A C 1.866 179.451 177.584 0.002 0.000 1.191 24 A CA 1.955 53.994 52.037 0.004 0.000 0.613 24 A CB -0.774 18.230 19.000 0.006 0.000 0.829 24 A HN 0.486 nan 8.150 nan 0.000 0.442 25 D N -0.002 120.400 120.400 0.002 0.000 2.218 25 D HA 0.030 4.659 4.640 -0.017 0.000 0.204 25 D C 1.943 178.242 176.300 -0.000 0.000 0.976 25 D CA 1.260 55.260 54.000 0.001 0.000 0.853 25 D CB -0.236 40.565 40.800 0.002 0.000 0.939 25 D HN 0.445 nan 8.370 nan 0.000 0.481 26 A N -0.143 122.676 122.820 -0.001 0.000 2.067 26 A HA 0.022 4.332 4.320 -0.017 0.000 0.217 26 A C 2.183 179.765 177.584 -0.004 0.000 1.156 26 A CA 0.593 52.628 52.037 -0.003 0.000 0.683 26 A CB 0.095 19.093 19.000 -0.003 0.000 0.808 26 A HN 0.156 nan 8.150 nan 0.000 0.455 27 V N 0.451 120.363 119.914 -0.004 0.000 2.788 27 V HA -0.107 4.003 4.120 -0.017 0.000 0.241 27 V C 2.284 178.376 176.094 -0.004 0.000 1.083 27 V CA 1.527 63.824 62.300 -0.005 0.000 1.103 27 V CB -0.266 31.553 31.823 -0.006 0.000 0.800 27 V HN 0.773 nan 8.190 nan 0.000 0.476 28 K N 1.894 122.293 120.400 -0.002 0.000 2.360 28 K HA -0.109 4.201 4.320 -0.017 0.000 0.201 28 K C 1.677 178.277 176.600 -0.001 0.000 1.046 28 K CA 1.805 58.092 56.287 -0.000 0.000 0.945 28 K CB -0.596 31.904 32.500 0.001 0.000 0.750 28 K HN 0.491 nan 8.250 nan 0.000 0.464 29 V N -0.510 119.403 119.914 -0.002 0.000 3.217 29 V HA -0.063 4.047 4.120 -0.017 0.000 0.264 29 V C 1.786 177.879 176.094 -0.003 0.000 1.135 29 V CA 1.335 63.634 62.300 -0.002 0.000 1.142 29 V CB -0.812 31.009 31.823 -0.003 0.000 0.754 29 V HN 0.517 nan 8.190 nan 0.000 0.484 30 T N -2.276 112.276 114.554 -0.004 0.000 3.186 30 T HA 0.413 4.753 4.350 -0.017 0.000 0.257 30 T C 0.130 174.828 174.700 -0.004 0.000 1.029 30 T CA -0.295 61.802 62.100 -0.005 0.000 0.916 30 T CB 0.020 68.883 68.868 -0.008 0.000 1.041 30 T HN 0.290 nan 8.240 nan 0.000 0.562 31 L N 2.321 123.543 121.223 -0.002 0.000 2.371 31 L HA 0.672 5.002 4.340 -0.017 0.000 0.272 31 L C 0.877 177.748 176.870 0.002 0.000 1.124 31 L CA 1.487 56.327 54.840 -0.000 0.000 0.816 31 L CB 0.159 42.219 42.059 0.003 0.000 1.129 31 L HN 0.653 nan 8.230 nan 0.000 0.448 32 G N 4.385 113.186 108.800 0.001 0.000 2.741 32 G HA2 -0.181 3.769 3.960 -0.017 0.000 0.222 32 G HA3 -0.181 3.769 3.960 -0.017 0.000 0.222 32 G C -2.161 172.737 174.900 -0.004 0.000 1.364 32 G CA -0.147 44.954 45.100 0.002 0.000 0.866 32 G HN 0.646 nan 8.290 nan 0.000 0.555 33 P HA 0.218 nan 4.420 nan 0.000 0.245 33 P C 0.913 178.208 177.300 -0.010 0.000 1.199 33 P CA 0.612 63.705 63.100 -0.013 0.000 0.807 33 P CB 0.329 32.016 31.700 -0.023 0.000 1.002 34 K N 0.855 121.254 120.400 -0.002 0.000 2.520 34 K HA 0.247 4.557 4.320 -0.017 0.000 0.205 34 K C 1.089 177.690 176.600 0.002 0.000 1.035 34 K CA -0.083 56.206 56.287 0.002 0.000 1.188 34 K CB -0.217 32.291 32.500 0.014 0.000 0.894 34 K HN 0.100 nan 8.250 nan 0.000 0.497 35 G N 1.197 109.997 108.800 -0.001 0.000 2.636 35 G HA2 0.112 4.062 3.960 -0.017 0.000 0.246 35 G HA3 0.112 4.062 3.960 -0.017 0.000 0.246 35 G C 0.065 174.963 174.900 -0.003 0.000 1.216 35 G CA -0.440 44.658 45.100 -0.002 0.000 0.854 35 G HN 0.091 nan 8.290 nan 0.000 0.572 36 R N 0.403 120.902 120.500 -0.003 0.000 2.674 36 R HA 0.316 4.646 4.340 -0.017 0.000 0.266 36 R C -0.294 176.003 176.300 -0.005 0.000 1.016 36 R CA -1.035 55.063 56.100 -0.004 0.000 1.062 36 R CB 0.720 31.018 30.300 -0.003 0.000 1.142 36 R HN 0.482 nan 8.270 nan 0.000 0.517 37 N N 0.316 119.013 118.700 -0.005 0.000 2.499 37 N HA 0.202 4.931 4.740 -0.017 0.000 0.281 37 N C -0.758 174.748 175.510 -0.005 0.000 1.098 37 N CA -0.191 52.856 53.050 -0.006 0.000 0.979 37 N CB 1.536 40.020 38.487 -0.005 0.000 1.121 37 N HN 0.125 nan 8.380 nan 0.000 0.466 38 V N 2.518 122.428 119.914 -0.006 0.000 2.448 38 V HA 0.298 4.408 4.120 -0.017 0.000 0.295 38 V C 0.015 176.105 176.094 -0.006 0.000 1.025 38 V CA -0.811 61.485 62.300 -0.006 0.000 0.859 38 V CB 1.900 33.719 31.823 -0.007 0.000 0.988 38 V HN 0.284 nan 8.190 nan 0.000 0.431 39 V N 6.801 126.712 119.914 -0.005 0.000 2.407 39 V HA 0.462 4.572 4.120 -0.017 0.000 0.278 39 V C -0.145 175.946 176.094 -0.004 0.000 1.037 39 V CA -0.424 61.873 62.300 -0.004 0.000 0.900 39 V CB 1.327 33.148 31.823 -0.004 0.000 0.983 39 V HN 0.613 nan 8.190 nan 0.000 0.459 40 L N 3.779 125.000 121.223 -0.004 0.000 2.313 40 L HA 0.538 4.868 4.340 -0.017 0.000 0.283 40 L C -0.283 176.587 176.870 -0.000 0.000 1.013 40 L CA -0.560 54.278 54.840 -0.003 0.000 0.816 40 L CB 1.742 43.797 42.059 -0.005 0.000 1.236 40 L HN 0.531 nan 8.230 nan 0.000 0.419 41 D N 2.974 123.374 120.400 -0.000 0.000 2.302 41 D HA 0.297 4.927 4.640 -0.017 0.000 0.248 41 D C -0.667 175.638 176.300 0.008 0.000 1.094 41 D CA 0.121 54.123 54.000 0.002 0.000 0.897 41 D CB 0.981 41.779 40.800 -0.004 0.000 1.200 41 D HN 0.337 nan 8.370 nan 0.000 0.429 42 K N 0.833 121.244 120.400 0.017 0.000 2.375 42 K HA 0.245 4.555 4.320 -0.017 0.000 0.249 42 K C 0.968 177.586 176.600 0.030 0.000 0.942 42 K CA -0.620 55.690 56.287 0.038 0.000 0.806 42 K CB 1.804 34.341 32.500 0.061 0.000 1.227 42 K HN 0.441 nan 8.250 nan 0.000 0.430 43 S N 1.394 117.114 115.700 0.033 0.000 2.368 43 S HA -0.065 4.395 4.470 -0.017 0.000 0.225 43 S C 0.603 175.124 174.600 -0.132 0.000 1.030 43 S CA 0.784 58.947 58.200 -0.061 0.000 0.999 43 S CB -0.280 62.865 63.200 -0.091 0.000 0.844 43 S HN 0.417 nan 8.310 nan 0.000 0.459 44 F N 3.387 123.330 119.950 -0.011 0.000 2.404 44 F HA 0.563 5.078 4.527 -0.020 0.000 0.359 44 F C 1.599 177.393 175.800 -0.010 0.000 1.134 44 F CA 0.481 58.475 58.000 -0.010 0.000 1.160 44 F CB 0.443 39.436 39.000 -0.011 0.000 1.186 44 F HN 0.544 nan 8.300 nan 0.000 0.526 45 G N 2.293 111.155 108.800 0.104 0.000 2.550 45 G HA2 -0.140 3.810 3.960 -0.017 0.000 0.277 45 G HA3 -0.140 3.810 3.960 -0.017 0.000 0.277 45 G C 0.002 174.927 174.900 0.043 0.000 1.190 45 G CA -0.472 44.670 45.100 0.071 0.000 0.971 45 G HN 1.030 nan 8.290 nan 0.000 0.559 46 A N 1.680 124.524 122.820 0.039 0.000 2.445 46 A HA 0.648 4.958 4.320 -0.017 0.000 0.242 46 A C -1.314 176.283 177.584 0.022 0.000 1.075 46 A CA 0.271 52.321 52.037 0.023 0.000 0.777 46 A CB -0.199 18.812 19.000 0.018 0.000 1.013 46 A HN 0.714 nan 8.150 nan 0.000 0.493 47 P HA 0.337 nan 4.420 nan 0.000 0.274 47 P C -0.467 176.837 177.300 0.007 0.000 1.237 47 P CA -0.148 62.958 63.100 0.009 0.000 0.793 47 P CB 0.577 32.279 31.700 0.003 0.000 0.977 48 T N 2.090 116.647 114.554 0.005 0.000 2.744 48 T HA 0.466 4.806 4.350 -0.017 0.000 0.291 48 T C 0.329 175.028 174.700 -0.002 0.000 0.957 48 T CA -0.231 61.869 62.100 0.001 0.000 1.002 48 T CB -0.165 68.702 68.868 -0.001 0.000 0.919 48 T HN 0.172 nan 8.240 nan 0.000 0.468 49 I N 2.984 123.552 120.570 -0.003 0.000 2.312 49 I HA 0.505 4.665 4.170 -0.017 0.000 0.290 49 I C 0.576 176.689 176.117 -0.007 0.000 1.008 49 I CA -0.356 60.941 61.300 -0.005 0.000 1.226 49 I CB 1.415 39.413 38.000 -0.004 0.000 1.371 49 I HN 0.507 nan 8.210 nan 0.000 0.468 50 T N 4.096 118.645 114.554 -0.008 0.000 2.843 50 T HA 0.398 4.738 4.350 -0.017 0.000 0.302 50 T C 0.208 174.901 174.700 -0.011 0.000 1.232 50 T CA -0.582 61.511 62.100 -0.011 0.000 1.009 50 T CB 1.805 70.665 68.868 -0.013 0.000 1.254 50 T HN 0.654 nan 8.240 nan 0.000 0.504 51 K N 0.642 121.034 120.400 -0.012 0.000 2.373 51 K HA 0.173 4.483 4.320 -0.017 0.000 0.200 51 K C -0.319 176.272 176.600 -0.015 0.000 1.054 51 K CA -0.193 56.087 56.287 -0.012 0.000 1.065 51 K CB 0.383 32.877 32.500 -0.011 0.000 0.886 51 K HN 0.488 nan 8.250 nan 0.000 0.546 52 D N 0.770 121.159 120.400 -0.018 0.000 2.349 52 D HA 0.003 4.632 4.640 -0.017 0.000 0.266 52 D C 1.215 177.501 176.300 -0.022 0.000 1.293 52 D CA 0.140 54.127 54.000 -0.022 0.000 0.926 52 D CB 1.005 41.789 40.800 -0.026 0.000 1.090 52 D HN 0.231 nan 8.370 nan 0.000 0.502 53 G N 2.565 111.352 108.800 -0.022 0.000 2.479 53 G HA2 -0.205 3.745 3.960 -0.017 0.000 0.220 53 G HA3 -0.205 3.745 3.960 -0.017 0.000 0.220 53 G C 1.417 176.302 174.900 -0.025 0.000 1.115 53 G CA 0.793 45.880 45.100 -0.021 0.000 0.757 53 G HN 0.487 nan 8.290 nan 0.000 0.560 54 V N 0.739 120.634 119.914 -0.031 0.000 2.346 54 V HA -0.122 3.988 4.120 -0.017 0.000 0.244 54 V C 2.956 179.031 176.094 -0.032 0.000 1.037 54 V CA 2.002 64.280 62.300 -0.036 0.000 1.029 54 V CB -0.707 31.089 31.823 -0.045 0.000 0.663 54 V HN 0.316 nan 8.190 nan 0.000 0.454 55 S N 0.312 115.993 115.700 -0.030 0.000 2.382 55 S HA -0.145 4.315 4.470 -0.017 0.000 0.228 55 S C 2.007 176.594 174.600 -0.022 0.000 1.027 55 S CA 1.487 59.670 58.200 -0.027 0.000 0.991 55 S CB -0.200 62.985 63.200 -0.025 0.000 0.823 55 S HN 0.393 nan 8.310 nan 0.000 0.469 56 V N 1.776 121.678 119.914 -0.020 0.000 2.323 56 V HA -0.114 3.996 4.120 -0.017 0.000 0.244 56 V C 2.641 178.725 176.094 -0.016 0.000 1.041 56 V CA 1.524 63.815 62.300 -0.016 0.000 1.025 56 V CB -1.216 30.599 31.823 -0.013 0.000 0.656 56 V HN 0.520 nan 8.190 nan 0.000 0.451 57 A N 0.064 122.873 122.820 -0.018 0.000 1.883 57 A HA -0.242 4.068 4.320 -0.017 0.000 0.217 57 A C 2.375 179.947 177.584 -0.020 0.000 1.186 57 A CA 1.846 53.873 52.037 -0.018 0.000 0.624 57 A CB -0.575 18.412 19.000 -0.021 0.000 0.822 57 A HN 0.454 nan 8.150 nan 0.000 0.444 58 R N -0.581 119.905 120.500 -0.024 0.000 2.139 58 R HA -0.140 4.189 4.340 -0.017 0.000 0.243 58 R C 1.762 178.048 176.300 -0.023 0.000 1.145 58 R CA 1.438 57.523 56.100 -0.026 0.000 0.976 58 R CB -0.241 30.040 30.300 -0.032 0.000 0.866 58 R HN 0.524 nan 8.270 nan 0.000 0.449 59 E N 0.224 120.412 120.200 -0.019 0.000 2.285 59 E HA -0.008 4.332 4.350 -0.017 0.000 0.194 59 E C 0.613 177.205 176.600 -0.013 0.000 0.997 59 E CA 0.286 56.676 56.400 -0.016 0.000 0.845 59 E CB 0.131 29.824 29.700 -0.013 0.000 0.782 59 E HN 0.169 nan 8.360 nan 0.000 0.491 60 I N 1.965 122.527 120.570 -0.012 0.000 2.533 60 I HA 0.073 4.232 4.170 -0.017 0.000 0.284 60 I C 0.421 176.532 176.117 -0.010 0.000 1.109 60 I CA 0.457 61.752 61.300 -0.009 0.000 1.412 60 I CB 0.088 38.084 38.000 -0.007 0.000 1.396 60 I HN -0.009 nan 8.210 nan 0.000 0.543 61 E N 6.958 127.153 120.200 -0.009 0.000 2.428 61 E HA 0.357 4.697 4.350 -0.017 0.000 0.307 61 E C -1.684 174.911 176.600 -0.008 0.000 0.902 61 E CA -0.500 55.894 56.400 -0.010 0.000 0.799 61 E CB 1.367 31.058 29.700 -0.014 0.000 1.351 61 E HN 0.461 nan 8.360 nan 0.000 0.392 62 L N 3.137 124.356 121.223 -0.006 0.000 2.439 62 L HA 0.320 4.650 4.340 -0.017 0.000 0.259 62 L C 1.709 178.577 176.870 -0.004 0.000 1.129 62 L CA -0.089 54.750 54.840 -0.001 0.000 0.803 62 L CB 0.912 42.975 42.059 0.008 0.000 1.161 62 L HN 0.726 nan 8.230 nan 0.000 0.462 63 E N 0.474 120.675 120.200 0.001 0.000 2.033 63 E HA -0.155 4.185 4.350 -0.017 0.000 0.189 63 E C 0.122 176.724 176.600 0.003 0.000 0.979 63 E CA 0.424 56.824 56.400 -0.000 0.000 0.802 63 E CB 0.204 29.906 29.700 0.003 0.000 0.763 63 E HN 0.705 nan 8.360 nan 0.000 0.449 64 D N 0.734 121.147 120.400 0.021 0.000 2.412 64 D HA -0.062 4.568 4.640 -0.017 0.000 0.257 64 D C 0.959 177.276 176.300 0.028 0.000 1.217 64 D CA 0.070 54.098 54.000 0.047 0.000 0.897 64 D CB 0.709 41.557 40.800 0.079 0.000 1.132 64 D HN -0.058 nan 8.370 nan 0.000 0.493 65 K N 3.270 123.652 120.400 -0.031 0.000 2.074 65 K HA -0.186 4.124 4.320 -0.017 0.000 0.209 65 K C 1.640 178.128 176.600 -0.187 0.000 1.048 65 K CA 1.287 57.480 56.287 -0.158 0.000 0.926 65 K CB -0.317 32.009 32.500 -0.290 0.000 0.713 65 K HN 0.553 nan 8.250 nan 0.000 0.444 66 F N 1.507 121.444 119.950 -0.022 0.000 2.113 66 F HA -0.101 4.417 4.527 -0.015 0.000 0.297 66 F C 2.417 178.206 175.800 -0.018 0.000 1.103 66 F CA 1.146 59.132 58.000 -0.025 0.000 1.248 66 F CB -0.411 38.571 39.000 -0.029 0.000 0.999 66 F HN 0.128 nan 8.300 nan 0.000 0.475 67 E N 0.012 120.317 120.200 0.174 0.000 2.058 67 E HA -0.282 4.058 4.350 -0.017 0.000 0.194 67 E C 1.904 178.533 176.600 0.048 0.000 0.997 67 E CA 1.413 57.867 56.400 0.090 0.000 0.801 67 E CB -0.411 29.329 29.700 0.066 0.000 0.746 67 E HN 0.307 nan 8.360 nan 0.000 0.450 68 N N 0.795 119.509 118.700 0.024 0.000 2.094 68 N HA -0.199 4.531 4.740 -0.017 0.000 0.191 68 N C 1.750 177.258 175.510 -0.004 0.000 1.023 68 N CA 1.560 54.609 53.050 -0.002 0.000 0.857 68 N CB -0.069 38.402 38.487 -0.026 0.000 1.013 68 N HN 0.085 nan 8.380 nan 0.000 0.426 69 M N -0.511 119.084 119.600 -0.007 0.000 2.065 69 M HA -0.074 4.396 4.480 -0.017 0.000 0.259 69 M C 2.244 178.555 176.300 0.019 0.000 1.069 69 M CA 1.904 57.202 55.300 -0.004 0.000 1.110 69 M CB -0.870 31.727 32.600 -0.006 0.000 1.328 69 M HN 0.348 nan 8.290 nan 0.000 0.405 70 G N 0.012 108.836 108.800 0.039 0.000 2.553 70 G HA2 -0.260 3.689 3.960 -0.017 0.000 0.218 70 G HA3 -0.260 3.689 3.960 -0.017 0.000 0.218 70 G C 1.608 176.522 174.900 0.023 0.000 1.195 70 G CA 1.394 46.516 45.100 0.036 0.000 0.779 70 G HN 0.571 nan 8.290 nan 0.000 0.577 71 A N -0.386 122.445 122.820 0.019 0.000 1.892 71 A HA -0.134 4.176 4.320 -0.017 0.000 0.218 71 A C 2.368 179.955 177.584 0.006 0.000 1.188 71 A CA 2.145 54.189 52.037 0.011 0.000 0.631 71 A CB -0.427 18.578 19.000 0.008 0.000 0.822 71 A HN 0.361 nan 8.150 nan 0.000 0.447 72 Q N -1.138 118.664 119.800 0.003 0.000 2.297 72 Q HA -0.007 4.323 4.340 -0.017 0.000 0.204 72 Q C 2.043 178.045 176.000 0.003 0.000 0.962 72 Q CA 0.979 56.781 55.803 -0.002 0.000 0.879 72 Q CB -0.266 28.467 28.738 -0.008 0.000 0.947 72 Q HN 0.789 nan 8.270 nan 0.000 0.462 73 M N -0.220 119.386 119.600 0.010 0.000 2.123 73 M HA -0.130 4.340 4.480 -0.017 0.000 0.263 73 M C 2.164 178.476 176.300 0.019 0.000 1.069 73 M CA 1.288 56.598 55.300 0.016 0.000 1.133 73 M CB -0.114 32.499 32.600 0.022 0.000 1.356 73 M HN 0.118 nan 8.290 nan 0.000 0.415 74 V N -2.279 117.646 119.914 0.017 0.000 2.970 74 V HA -0.129 3.981 4.120 -0.017 0.000 0.260 74 V C 1.941 178.039 176.094 0.007 0.000 1.100 74 V CA 1.429 63.740 62.300 0.018 0.000 1.122 74 V CB -0.953 30.881 31.823 0.018 0.000 0.721 74 V HN 0.414 nan 8.190 nan 0.000 0.483 75 K N 0.093 120.493 120.400 0.001 0.000 2.097 75 K HA -0.152 4.158 4.320 -0.017 0.000 0.205 75 K C 2.267 178.858 176.600 -0.016 0.000 1.050 75 K CA 1.429 57.710 56.287 -0.010 0.000 0.938 75 K CB -0.126 32.368 32.500 -0.010 0.000 0.718 75 K HN 0.466 nan 8.250 nan 0.000 0.442 76 E N 0.438 120.634 120.200 -0.007 0.000 2.333 76 E HA -0.135 4.205 4.350 -0.017 0.000 0.198 76 E C 1.747 178.334 176.600 -0.022 0.000 1.007 76 E CA 0.877 57.272 56.400 -0.008 0.000 0.845 76 E CB 0.235 29.942 29.700 0.012 0.000 0.766 76 E HN 0.168 nan 8.360 nan 0.000 0.507 77 V N 0.316 120.221 119.914 -0.015 0.000 2.374 77 V HA -0.050 4.059 4.120 -0.017 0.000 0.241 77 V C 2.482 178.512 176.094 -0.107 0.000 1.034 77 V CA 1.219 63.503 62.300 -0.027 0.000 1.037 77 V CB -1.022 30.827 31.823 0.044 0.000 0.682 77 V HN 0.171 nan 8.190 nan 0.000 0.463 78 A N 1.787 124.570 122.820 -0.062 0.000 1.884 78 A HA -0.305 4.005 4.320 -0.017 0.000 0.219 78 A C 2.553 180.074 177.584 -0.104 0.000 1.197 78 A CA 3.156 55.151 52.037 -0.070 0.000 0.637 78 A CB -1.107 17.869 19.000 -0.041 0.000 0.827 78 A HN 0.735 nan 8.150 nan 0.000 0.450 79 S N -0.697 114.946 115.700 -0.095 0.000 2.402 79 S HA -0.116 4.343 4.470 -0.017 0.000 0.229 79 S C 1.806 176.316 174.600 -0.150 0.000 1.021 79 S CA 1.463 59.605 58.200 -0.096 0.000 0.974 79 S CB -0.262 62.900 63.200 -0.063 0.000 0.800 79 S HN 0.619 nan 8.310 nan 0.000 0.484 80 K N 1.093 121.352 120.400 -0.236 0.000 2.186 80 K HA 0.268 4.578 4.320 -0.017 0.000 0.202 80 K C 2.478 178.695 176.600 -0.639 0.000 1.052 80 K CA 0.756 56.798 56.287 -0.408 0.000 0.965 80 K CB -0.362 31.858 32.500 -0.466 0.000 0.746 80 K HN 0.466 nan 8.250 nan 0.000 0.457 81 A N 1.727 124.206 122.820 -0.568 0.000 1.933 81 A HA -0.222 4.087 4.320 -0.017 0.000 0.218 81 A C 1.861 179.333 177.584 -0.186 0.000 1.175 81 A CA 1.876 53.690 52.037 -0.371 0.000 0.628 81 A CB -0.630 18.260 19.000 -0.182 0.000 0.814 81 A HN 0.294 nan 8.150 nan 0.000 0.444 82 N N 0.190 118.797 118.700 -0.156 0.000 2.223 82 N HA -0.143 4.587 4.740 -0.017 0.000 0.185 82 N C 1.027 176.486 175.510 -0.084 0.000 1.016 82 N CA 1.705 54.693 53.050 -0.103 0.000 0.863 82 N CB -0.202 38.229 38.487 -0.092 0.000 0.983 82 N HN 0.412 nan 8.380 nan 0.000 0.429 83 D N -0.606 119.731 120.400 -0.104 0.000 2.183 83 D HA 0.011 4.641 4.640 -0.017 0.000 0.203 83 D C 1.626 177.915 176.300 -0.019 0.000 0.969 83 D CA 0.945 54.910 54.000 -0.058 0.000 0.842 83 D CB -0.229 40.531 40.800 -0.067 0.000 0.957 83 D HN 0.415 nan 8.370 nan 0.000 0.484 84 A N 0.412 123.211 122.820 -0.035 0.000 1.903 84 A HA 0.292 4.602 4.320 -0.017 0.000 0.213 84 A C 2.029 179.651 177.584 0.063 0.000 1.185 84 A CA 1.787 53.851 52.037 0.044 0.000 0.628 84 A CB 0.012 19.079 19.000 0.112 0.000 0.830 84 A HN 0.236 nan 8.150 nan 0.000 0.446 85 A N -3.589 119.259 122.820 0.047 0.000 1.964 85 A HA 0.478 4.788 4.320 -0.017 0.000 0.198 85 A C 1.826 179.460 177.584 0.083 0.000 1.599 85 A CA 1.124 53.207 52.037 0.077 0.000 0.968 85 A CB -0.234 18.801 19.000 0.058 0.000 1.029 85 A HN 1.851 nan 8.150 nan 0.000 0.508 86 G N -0.709 108.086 108.800 -0.008 0.000 2.213 86 G HA2 -0.173 3.777 3.960 -0.017 0.000 0.226 86 G HA3 -0.173 3.777 3.960 -0.017 0.000 0.226 86 G C -0.084 174.769 174.900 -0.079 0.000 0.992 86 G CA 0.524 45.565 45.100 -0.099 0.000 0.632 86 G HN 0.712 nan 8.290 nan 0.000 0.511 87 D N -0.822 119.561 120.400 -0.028 0.000 2.392 87 D HA 0.581 5.211 4.640 -0.017 0.000 0.246 87 D C 1.138 177.430 176.300 -0.014 0.000 1.013 87 D CA 0.840 54.828 54.000 -0.020 0.000 0.993 87 D CB 0.943 41.744 40.800 0.002 0.000 1.219 87 D HN 1.313 nan 8.370 nan 0.000 0.538 88 G N 0.322 109.115 108.800 -0.010 0.000 2.198 88 G HA2 -0.288 3.662 3.960 -0.017 0.000 0.257 88 G HA3 -0.288 3.662 3.960 -0.017 0.000 0.257 88 G C 0.931 175.826 174.900 -0.009 0.000 1.042 88 G CA 1.220 46.320 45.100 -0.001 0.000 0.791 88 G HN 0.648 nan 8.290 nan 0.000 0.502 89 T N -3.613 110.927 114.554 -0.023 0.000 2.857 89 T HA -0.057 4.283 4.350 -0.017 0.000 0.266 89 T C 2.277 176.967 174.700 -0.018 0.000 1.048 89 T CA 2.290 64.371 62.100 -0.031 0.000 1.139 89 T CB -0.396 68.445 68.868 -0.044 0.000 0.874 89 T HN 0.323 nan 8.240 nan 0.000 0.455 90 T N 2.344 116.890 114.554 -0.013 0.000 2.821 90 T HA -0.068 4.271 4.350 -0.017 0.000 0.267 90 T C 2.226 176.927 174.700 0.001 0.000 1.046 90 T CA 1.764 63.859 62.100 -0.007 0.000 1.139 90 T CB -0.870 67.994 68.868 -0.007 0.000 0.871 90 T HN 0.574 nan 8.240 nan 0.000 0.454 91 T N 2.026 116.582 114.554 0.004 0.000 2.867 91 T HA 0.059 4.399 4.350 -0.017 0.000 0.268 91 T C 2.431 177.142 174.700 0.019 0.000 1.057 91 T CA 0.923 63.030 62.100 0.012 0.000 1.136 91 T CB -0.481 68.397 68.868 0.015 0.000 0.874 91 T HN 0.428 nan 8.240 nan 0.000 0.466 92 A N 1.858 124.689 122.820 0.019 0.000 1.877 92 A HA -0.102 4.207 4.320 -0.017 0.000 0.216 92 A C 2.588 180.188 177.584 0.026 0.000 1.186 92 A CA 1.942 53.997 52.037 0.031 0.000 0.620 92 A CB -1.305 17.711 19.000 0.026 0.000 0.822 92 A HN 0.460 nan 8.150 nan 0.000 0.443 93 T N 0.085 114.647 114.554 0.013 0.000 2.867 93 T HA -0.097 4.242 4.350 -0.017 0.000 0.268 93 T C 1.949 176.657 174.700 0.013 0.000 1.057 93 T CA 1.729 63.836 62.100 0.011 0.000 1.136 93 T CB -0.628 68.242 68.868 0.003 0.000 0.874 93 T HN 0.599 nan 8.240 nan 0.000 0.466 94 V N -0.102 119.819 119.914 0.012 0.000 2.515 94 V HA 0.014 4.123 4.120 -0.017 0.000 0.250 94 V C 2.209 178.312 176.094 0.015 0.000 1.058 94 V CA 1.217 63.523 62.300 0.012 0.000 1.064 94 V CB -1.070 30.759 31.823 0.010 0.000 0.675 94 V HN 0.382 nan 8.190 nan 0.000 0.461 95 L N 0.685 121.920 121.223 0.020 0.000 2.023 95 L HA 0.033 4.363 4.340 -0.017 0.000 0.205 95 L C 3.084 179.969 176.870 0.024 0.000 1.073 95 L CA 1.672 56.526 54.840 0.024 0.000 0.745 95 L CB -0.921 41.156 42.059 0.030 0.000 0.900 95 L HN 0.382 nan 8.230 nan 0.000 0.435 96 A N -0.571 122.267 122.820 0.029 0.000 1.892 96 A HA -0.338 3.972 4.320 -0.017 0.000 0.218 96 A C 2.251 179.849 177.584 0.023 0.000 1.188 96 A CA 2.229 54.284 52.037 0.030 0.000 0.631 96 A CB -0.764 18.256 19.000 0.033 0.000 0.822 96 A HN 0.531 nan 8.150 nan 0.000 0.447 97 Q N -0.757 119.054 119.800 0.018 0.000 2.061 97 Q HA -0.173 4.157 4.340 -0.017 0.000 0.204 97 Q C 2.245 178.253 176.000 0.014 0.000 0.984 97 Q CA 1.785 57.596 55.803 0.015 0.000 0.846 97 Q CB -0.347 28.398 28.738 0.012 0.000 0.902 97 Q HN 0.626 nan 8.270 nan 0.000 0.421 98 A N 0.415 123.243 122.820 0.014 0.000 1.972 98 A HA -0.135 4.175 4.320 -0.017 0.000 0.219 98 A C 1.901 179.493 177.584 0.013 0.000 1.169 98 A CA 1.208 53.253 52.037 0.012 0.000 0.635 98 A CB -0.493 18.514 19.000 0.012 0.000 0.810 98 A HN 0.473 nan 8.150 nan 0.000 0.446 99 I N -0.844 119.735 120.570 0.015 0.000 2.333 99 I HA -0.143 4.016 4.170 -0.017 0.000 0.246 99 I C 2.209 178.335 176.117 0.015 0.000 1.106 99 I CA 0.884 62.194 61.300 0.015 0.000 1.411 99 I CB -0.290 37.721 38.000 0.018 0.000 1.082 99 I HN 0.235 nan 8.210 nan 0.000 0.420 100 I N 0.654 121.233 120.570 0.016 0.000 2.202 100 I HA -0.240 3.920 4.170 -0.017 0.000 0.242 100 I C 2.584 178.709 176.117 0.013 0.000 1.091 100 I CA 1.606 62.915 61.300 0.016 0.000 1.368 100 I CB -0.579 37.432 38.000 0.018 0.000 1.058 100 I HN 0.226 nan 8.210 nan 0.000 0.410 101 T N 0.082 114.643 114.554 0.012 0.000 2.684 101 T HA -0.163 4.177 4.350 -0.017 0.000 0.267 101 T C 1.776 176.481 174.700 0.008 0.000 1.036 101 T CA 1.241 63.347 62.100 0.009 0.000 1.148 101 T CB -0.214 68.659 68.868 0.008 0.000 0.863 101 T HN 0.270 nan 8.240 nan 0.000 0.436 102 E N 0.725 120.930 120.200 0.009 0.000 2.158 102 E HA 0.050 4.390 4.350 -0.017 0.000 0.191 102 E C 2.540 179.145 176.600 0.008 0.000 0.982 102 E CA 0.810 57.215 56.400 0.008 0.000 0.823 102 E CB -0.737 28.967 29.700 0.008 0.000 0.766 102 E HN 0.574 nan 8.360 nan 0.000 0.468 103 G N 1.515 110.321 108.800 0.010 0.000 2.453 103 G HA2 -0.212 3.738 3.960 -0.017 0.000 0.215 103 G HA3 -0.212 3.738 3.960 -0.017 0.000 0.215 103 G C 1.716 176.622 174.900 0.010 0.000 1.201 103 G CA 0.462 45.568 45.100 0.010 0.000 0.784 103 G HN 0.178 nan 8.290 nan 0.000 0.545 104 L N 0.033 121.262 121.223 0.010 0.000 2.131 104 L HA -0.074 4.256 4.340 -0.017 0.000 0.210 104 L C 2.919 179.794 176.870 0.007 0.000 1.092 104 L CA 1.087 55.932 54.840 0.009 0.000 0.759 104 L CB -0.331 41.734 42.059 0.009 0.000 0.903 104 L HN 0.201 nan 8.230 nan 0.000 0.435 105 K N 0.095 120.499 120.400 0.006 0.000 2.063 105 K HA -0.204 4.106 4.320 -0.017 0.000 0.208 105 K C 2.203 178.806 176.600 0.005 0.000 1.048 105 K CA 1.557 57.847 56.287 0.005 0.000 0.928 105 K CB -0.182 32.321 32.500 0.005 0.000 0.713 105 K HN 0.327 nan 8.250 nan 0.000 0.442 106 A N 0.593 123.416 122.820 0.006 0.000 1.929 106 A HA -0.083 4.227 4.320 -0.017 0.000 0.216 106 A C 2.254 179.842 177.584 0.006 0.000 1.176 106 A CA 1.156 53.197 52.037 0.006 0.000 0.628 106 A CB -0.381 18.622 19.000 0.006 0.000 0.816 106 A HN 0.085 nan 8.150 nan 0.000 0.444 107 V N -0.083 119.835 119.914 0.007 0.000 2.358 107 V HA -0.210 3.900 4.120 -0.017 0.000 0.246 107 V C 2.948 179.046 176.094 0.007 0.000 1.047 107 V CA 1.839 64.144 62.300 0.008 0.000 1.035 107 V CB -1.324 30.505 31.823 0.011 0.000 0.658 107 V HN 0.562 nan 8.190 nan 0.000 0.452 108 A N 0.039 122.863 122.820 0.006 0.000 2.015 108 A HA 0.076 4.385 4.320 -0.017 0.000 0.219 108 A C 2.343 179.928 177.584 0.003 0.000 1.163 108 A CA 1.574 53.613 52.037 0.004 0.000 0.646 108 A CB -0.559 18.443 19.000 0.003 0.000 0.806 108 A HN 0.562 nan 8.150 nan 0.000 0.448 109 A N -1.393 121.429 122.820 0.003 0.000 2.066 109 A HA 0.372 4.682 4.320 -0.017 0.000 0.218 109 A C 1.629 179.215 177.584 0.003 0.000 1.157 109 A CA 1.447 53.485 52.037 0.003 0.000 0.670 109 A CB -0.684 18.318 19.000 0.003 0.000 0.804 109 A HN 1.883 nan 8.150 nan 0.000 0.453 110 G N -1.615 107.187 108.800 0.003 0.000 2.468 110 G HA2 -0.072 3.878 3.960 -0.017 0.000 0.143 110 G HA3 -0.072 3.878 3.960 -0.017 0.000 0.143 110 G C -0.267 174.635 174.900 0.004 0.000 1.065 110 G CA -0.018 45.084 45.100 0.003 0.000 0.776 110 G HN 0.290 nan 8.290 nan 0.000 0.486 111 M N -0.059 119.543 119.600 0.005 0.000 2.598 111 M HA 0.351 4.821 4.480 -0.017 0.000 0.317 111 M C 0.422 176.726 176.300 0.006 0.000 1.179 111 M CA -0.760 54.543 55.300 0.005 0.000 0.936 111 M CB 1.773 34.376 32.600 0.005 0.000 1.713 111 M HN 0.221 nan 8.290 nan 0.000 0.460 112 N N 1.999 120.702 118.700 0.006 0.000 2.431 112 N HA 0.099 4.829 4.740 -0.017 0.000 0.265 112 N C -1.988 173.527 175.510 0.008 0.000 1.184 112 N CA -1.317 51.737 53.050 0.007 0.000 0.943 112 N CB 0.960 39.450 38.487 0.006 0.000 1.080 112 N HN 0.277 nan 8.380 nan 0.000 0.477 113 P HA -0.180 nan 4.420 nan 0.000 0.215 113 P C 1.389 178.695 177.300 0.011 0.000 1.153 113 P CA 1.054 64.161 63.100 0.012 0.000 0.853 113 P CB 0.201 31.910 31.700 0.015 0.000 0.788 114 M N -0.656 118.950 119.600 0.010 0.000 2.213 114 M HA -0.130 4.340 4.480 -0.017 0.000 0.263 114 M C 1.142 177.446 176.300 0.007 0.000 1.062 114 M CA 1.684 56.989 55.300 0.009 0.000 1.105 114 M CB -1.363 31.242 32.600 0.009 0.000 1.385 114 M HN -0.052 nan 8.290 nan 0.000 0.417 115 D N -0.035 120.369 120.400 0.006 0.000 2.194 115 D HA -0.008 4.622 4.640 -0.017 0.000 0.204 115 D C 2.179 178.482 176.300 0.005 0.000 0.964 115 D CA 0.772 54.775 54.000 0.005 0.000 0.846 115 D CB -0.048 40.755 40.800 0.005 0.000 0.962 115 D HN 0.318 nan 8.370 nan 0.000 0.490 116 L N 0.617 121.844 121.223 0.007 0.000 2.109 116 L HA -0.102 4.227 4.340 -0.017 0.000 0.207 116 L C 2.462 179.336 176.870 0.007 0.000 1.086 116 L CA 0.924 55.768 54.840 0.007 0.000 0.760 116 L CB -0.186 41.878 42.059 0.008 0.000 0.910 116 L HN -0.044 nan 8.230 nan 0.000 0.437 117 K N 0.539 120.943 120.400 0.007 0.000 2.002 117 K HA -0.184 4.126 4.320 -0.017 0.000 0.209 117 K C 2.276 178.878 176.600 0.003 0.000 1.048 117 K CA 1.366 57.657 56.287 0.006 0.000 0.930 117 K CB 0.018 32.522 32.500 0.007 0.000 0.714 117 K HN 0.183 nan 8.250 nan 0.000 0.438 118 R N -0.381 120.121 120.500 0.003 0.000 2.120 118 R HA -0.087 4.243 4.340 -0.017 0.000 0.234 118 R C 2.422 178.722 176.300 0.001 0.000 1.123 118 R CA 1.208 57.309 56.100 0.001 0.000 0.975 118 R CB -0.405 29.895 30.300 0.002 0.000 0.866 118 R HN 0.384 nan 8.270 nan 0.000 0.446 119 G N 1.097 109.899 108.800 0.003 0.000 2.402 119 G HA2 -0.217 3.733 3.960 -0.017 0.000 0.216 119 G HA3 -0.217 3.733 3.960 -0.017 0.000 0.216 119 G C 1.423 176.325 174.900 0.003 0.000 1.162 119 G CA 0.540 45.642 45.100 0.003 0.000 0.777 119 G HN 0.148 nan 8.290 nan 0.000 0.539 120 I N 0.881 121.453 120.570 0.003 0.000 2.142 120 I HA -0.121 4.039 4.170 -0.017 0.000 0.240 120 I C 2.298 178.415 176.117 0.000 0.000 1.078 120 I CA 1.240 62.542 61.300 0.004 0.000 1.343 120 I CB -0.158 37.845 38.000 0.005 0.000 1.046 120 I HN 0.028 nan 8.210 nan 0.000 0.405 121 D N 0.701 121.099 120.400 -0.002 0.000 2.178 121 D HA -0.200 4.430 4.640 -0.017 0.000 0.201 121 D C 2.082 178.378 176.300 -0.007 0.000 0.980 121 D CA 1.137 55.133 54.000 -0.008 0.000 0.842 121 D CB -0.151 40.643 40.800 -0.010 0.000 0.948 121 D HN 0.286 nan 8.370 nan 0.000 0.472 122 K N 0.543 120.941 120.400 -0.003 0.000 2.103 122 K HA -0.024 4.286 4.320 -0.017 0.000 0.204 122 K C 1.992 178.592 176.600 -0.001 0.000 1.052 122 K CA 0.928 57.214 56.287 -0.002 0.000 0.945 122 K CB 0.070 32.569 32.500 -0.001 0.000 0.722 122 K HN -0.021 nan 8.250 nan 0.000 0.443 123 A N 0.597 123.418 122.820 0.001 0.000 1.933 123 A HA -0.094 4.215 4.320 -0.017 0.000 0.218 123 A C 2.160 179.746 177.584 0.002 0.000 1.175 123 A CA 1.368 53.407 52.037 0.003 0.000 0.628 123 A CB -0.435 18.568 19.000 0.005 0.000 0.814 123 A HN 0.161 nan 8.150 nan 0.000 0.444 124 V N -0.400 119.513 119.914 -0.000 0.000 2.323 124 V HA -0.185 3.925 4.120 -0.017 0.000 0.244 124 V C 2.721 178.812 176.094 -0.005 0.000 1.041 124 V CA 2.376 64.674 62.300 -0.003 0.000 1.025 124 V CB -1.174 30.644 31.823 -0.008 0.000 0.656 124 V HN 0.598 nan 8.190 nan 0.000 0.451 125 T N 0.598 115.147 114.554 -0.008 0.000 2.803 125 T HA -0.167 4.173 4.350 -0.017 0.000 0.269 125 T C 1.949 176.647 174.700 -0.003 0.000 1.052 125 T CA 1.562 63.656 62.100 -0.009 0.000 1.136 125 T CB -0.366 68.496 68.868 -0.010 0.000 0.864 125 T HN 0.552 nan 8.240 nan 0.000 0.467 126 A N 1.033 123.852 122.820 -0.000 0.000 1.970 126 A HA 0.408 4.718 4.320 -0.017 0.000 0.216 126 A C 2.577 180.164 177.584 0.005 0.000 1.170 126 A CA 1.320 53.358 52.037 0.003 0.000 0.645 126 A CB -0.776 18.226 19.000 0.004 0.000 0.816 126 A HN 0.492 nan 8.150 nan 0.000 0.447 127 A N -0.527 122.296 122.820 0.005 0.000 1.929 127 A HA 0.095 4.405 4.320 -0.017 0.000 0.216 127 A C 2.129 179.719 177.584 0.009 0.000 1.176 127 A CA 1.492 53.534 52.037 0.009 0.000 0.628 127 A CB -0.702 18.304 19.000 0.010 0.000 0.816 127 A HN 0.318 nan 8.150 nan 0.000 0.444 128 V N -0.029 119.888 119.914 0.006 0.000 2.427 128 V HA -0.201 3.909 4.120 -0.017 0.000 0.248 128 V C 2.562 178.660 176.094 0.007 0.000 1.051 128 V CA 2.305 64.609 62.300 0.006 0.000 1.048 128 V CB -0.598 31.224 31.823 -0.001 0.000 0.666 128 V HN 0.595 nan 8.190 nan 0.000 0.456 129 E N 0.357 120.560 120.200 0.005 0.000 2.072 129 E HA -0.207 4.133 4.350 -0.017 0.000 0.191 129 E C 2.126 178.732 176.600 0.009 0.000 0.985 129 E CA 1.260 57.664 56.400 0.006 0.000 0.801 129 E CB -0.170 29.533 29.700 0.005 0.000 0.750 129 E HN 0.602 nan 8.360 nan 0.000 0.452 130 E N -0.650 119.556 120.200 0.010 0.000 2.208 130 E HA -0.082 4.257 4.350 -0.017 0.000 0.193 130 E C 1.749 178.358 176.600 0.015 0.000 0.988 130 E CA 0.425 56.833 56.400 0.012 0.000 0.828 130 E CB -0.194 29.514 29.700 0.013 0.000 0.763 130 E HN 0.210 nan 8.360 nan 0.000 0.478 131 L N 0.712 121.944 121.223 0.015 0.000 2.093 131 L HA -0.071 4.259 4.340 -0.017 0.000 0.208 131 L C 1.831 178.711 176.870 0.017 0.000 1.085 131 L CA 1.647 56.498 54.840 0.017 0.000 0.755 131 L CB -0.164 41.906 42.059 0.018 0.000 0.904 131 L HN -0.003 nan 8.230 nan 0.000 0.435 132 K N -0.977 119.431 120.400 0.015 0.000 2.147 132 K HA -0.110 4.200 4.320 -0.017 0.000 0.205 132 K C 1.996 178.604 176.600 0.014 0.000 1.049 132 K CA 1.178 57.473 56.287 0.014 0.000 0.936 132 K CB -0.255 32.252 32.500 0.012 0.000 0.722 132 K HN 0.407 nan 8.250 nan 0.000 0.446 133 A N 1.003 123.832 122.820 0.014 0.000 1.970 133 A HA -0.040 4.270 4.320 -0.017 0.000 0.216 133 A C 1.935 179.528 177.584 0.016 0.000 1.170 133 A CA 0.787 52.832 52.037 0.014 0.000 0.645 133 A CB -0.262 18.745 19.000 0.013 0.000 0.816 133 A HN 0.208 nan 8.150 nan 0.000 0.447 134 L N -0.445 120.789 121.223 0.018 0.000 2.492 134 L HA 0.061 4.391 4.340 -0.017 0.000 0.223 134 L C 1.098 177.980 176.870 0.021 0.000 1.132 134 L CA 0.094 54.947 54.840 0.021 0.000 0.850 134 L CB 0.004 42.077 42.059 0.024 0.000 0.966 134 L HN 0.351 nan 8.230 nan 0.000 0.454 135 S N -0.330 115.381 115.700 0.019 0.000 2.549 135 S HA 0.177 4.637 4.470 -0.017 0.000 0.279 135 S C -0.195 174.415 174.600 0.016 0.000 1.321 135 S CA -0.485 57.726 58.200 0.018 0.000 1.054 135 S CB 0.889 64.099 63.200 0.017 0.000 0.899 135 S HN 0.003 nan 8.310 nan 0.000 0.497 136 V N 8.607 128.531 119.914 0.016 0.000 2.311 136 V HA 0.351 4.461 4.120 -0.017 0.000 0.275 136 V C -2.094 174.007 176.094 0.013 0.000 1.022 136 V CA -1.787 60.522 62.300 0.015 0.000 0.830 136 V CB 0.820 32.652 31.823 0.015 0.000 1.012 136 V HN 0.744 nan 8.190 nan 0.000 0.452 137 P HA 0.200 nan 4.420 nan 0.000 0.272 137 P C -0.596 176.709 177.300 0.008 0.000 1.223 137 P CA -0.367 62.739 63.100 0.010 0.000 0.784 137 P CB 0.494 32.199 31.700 0.009 0.000 0.923 138 C N 2.334 121.638 119.300 0.007 0.000 2.250 138 C HA 0.304 4.754 4.460 -0.017 0.000 0.319 138 C C 1.618 176.610 174.990 0.004 0.000 1.124 138 C CA 0.261 59.282 59.018 0.006 0.000 1.527 138 C CB -0.737 27.006 27.740 0.006 0.000 2.001 138 C HN 0.588 nan 8.230 nan 0.000 0.435 139 S N 1.409 117.112 115.700 0.004 0.000 2.431 139 S HA 0.021 4.481 4.470 -0.017 0.000 0.210 139 S C 0.653 175.254 174.600 0.001 0.000 1.013 139 S CA 0.290 58.491 58.200 0.003 0.000 0.920 139 S CB -0.144 63.057 63.200 0.003 0.000 0.882 139 S HN 0.920 nan 8.310 nan 0.000 0.567 140 D N 1.944 122.345 120.400 0.002 0.000 2.362 140 D HA 0.062 4.692 4.640 -0.017 0.000 0.242 140 D C 0.712 177.012 176.300 0.001 0.000 1.132 140 D CA 0.179 54.180 54.000 0.001 0.000 0.907 140 D CB 0.835 41.636 40.800 0.001 0.000 1.195 140 D HN 0.278 nan 8.370 nan 0.000 0.429 141 S N 0.147 115.847 115.700 -0.000 0.000 2.603 141 S HA -0.115 4.345 4.470 -0.017 0.000 0.229 141 S C 1.372 175.972 174.600 -0.000 0.000 0.972 141 S CA 0.299 58.498 58.200 -0.001 0.000 0.935 141 S CB -0.181 63.018 63.200 -0.002 0.000 0.769 141 S HN 0.585 nan 8.310 nan 0.000 0.536 142 K N 1.027 121.428 120.400 0.000 0.000 2.166 142 K HA 0.300 4.609 4.320 -0.017 0.000 0.201 142 K C 2.133 178.734 176.600 0.002 0.000 1.052 142 K CA 0.750 57.038 56.287 0.001 0.000 0.969 142 K CB -0.322 32.179 32.500 0.001 0.000 0.761 142 K HN 0.408 nan 8.250 nan 0.000 0.459 143 A N 0.720 123.541 122.820 0.002 0.000 2.072 143 A HA 0.043 4.353 4.320 -0.017 0.000 0.216 143 A C 1.839 179.425 177.584 0.003 0.000 1.156 143 A CA 0.583 52.621 52.037 0.003 0.000 0.701 143 A CB -0.319 18.683 19.000 0.004 0.000 0.816 143 A HN 0.251 nan 8.150 nan 0.000 0.458 144 I N -0.286 120.285 120.570 0.002 0.000 2.315 144 I HA -0.226 3.934 4.170 -0.017 0.000 0.248 144 I C 2.847 178.965 176.117 0.001 0.000 1.117 144 I CA 0.958 62.259 61.300 0.001 0.000 1.404 144 I CB -0.155 37.844 38.000 -0.001 0.000 1.071 144 I HN 0.339 nan 8.210 nan 0.000 0.419 145 A N 0.026 122.846 122.820 0.001 0.000 1.969 145 A HA -0.219 4.091 4.320 -0.017 0.000 0.218 145 A C 2.241 179.826 177.584 0.001 0.000 1.169 145 A CA 1.290 53.327 52.037 0.001 0.000 0.635 145 A CB -0.457 18.543 19.000 0.000 0.000 0.810 145 A HN 0.448 nan 8.150 nan 0.000 0.445 146 Q N -0.502 119.299 119.800 0.002 0.000 2.119 146 Q HA -0.105 4.225 4.340 -0.017 0.000 0.201 146 Q C 2.082 178.083 176.000 0.003 0.000 0.972 146 Q CA 1.605 57.410 55.803 0.002 0.000 0.847 146 Q CB -0.250 28.490 28.738 0.003 0.000 0.903 146 Q HN 0.537 nan 8.270 nan 0.000 0.433 147 V N -0.070 119.846 119.914 0.004 0.000 2.379 147 V HA -0.127 3.983 4.120 -0.017 0.000 0.245 147 V C 2.176 178.274 176.094 0.006 0.000 1.044 147 V CA 1.852 64.155 62.300 0.006 0.000 1.036 147 V CB -0.937 30.890 31.823 0.007 0.000 0.664 147 V HN 0.477 nan 8.190 nan 0.000 0.453 148 G N -0.440 108.363 108.800 0.005 0.000 2.471 148 G HA2 -0.167 3.783 3.960 -0.017 0.000 0.219 148 G HA3 -0.167 3.783 3.960 -0.017 0.000 0.219 148 G C 1.619 176.522 174.900 0.004 0.000 1.125 148 G CA 1.384 46.488 45.100 0.006 0.000 0.775 148 G HN 0.486 nan 8.290 nan 0.000 0.548 149 T N 1.297 115.852 114.554 0.002 0.000 2.770 149 T HA 0.020 4.360 4.350 -0.017 0.000 0.258 149 T C 2.360 177.060 174.700 -0.001 0.000 1.039 149 T CA 0.792 62.892 62.100 0.001 0.000 1.143 149 T CB -0.107 68.761 68.868 -0.000 0.000 0.866 149 T HN 0.268 nan 8.240 nan 0.000 0.428 150 I N 1.315 121.884 120.570 -0.001 0.000 2.546 150 I HA -0.046 4.114 4.170 -0.017 0.000 0.255 150 I C 2.352 178.468 176.117 -0.002 0.000 1.163 150 I CA 0.633 61.931 61.300 -0.003 0.000 1.457 150 I CB -0.298 37.700 38.000 -0.004 0.000 1.092 150 I HN 0.124 nan 8.210 nan 0.000 0.434 151 S N 0.861 116.562 115.700 0.002 0.000 2.453 151 S HA 0.087 4.547 4.470 -0.017 0.000 0.231 151 S C 1.672 176.275 174.600 0.004 0.000 1.005 151 S CA 0.924 59.127 58.200 0.005 0.000 0.949 151 S CB -0.037 63.170 63.200 0.012 0.000 0.774 151 S HN 0.500 nan 8.310 nan 0.000 0.510 152 A N 1.477 124.299 122.820 0.003 0.000 2.708 152 A HA 0.465 4.775 4.320 -0.017 0.000 0.293 152 A C 0.434 178.017 177.584 -0.002 0.000 1.303 152 A CA -0.515 51.523 52.037 0.002 0.000 0.949 152 A CB -0.564 18.438 19.000 0.003 0.000 1.121 152 A HN 0.312 nan 8.150 nan 0.000 0.542 153 N N 0.198 118.895 118.700 -0.004 0.000 2.681 153 N HA -0.203 4.527 4.740 -0.017 0.000 0.259 153 N C 0.194 175.700 175.510 -0.007 0.000 1.066 153 N CA 1.029 54.075 53.050 -0.007 0.000 0.717 153 N CB -1.880 36.602 38.487 -0.008 0.000 0.885 153 N HN 0.548 nan 8.380 nan 0.000 0.547 154 S N -1.112 114.584 115.700 -0.007 0.000 3.533 154 S HA -0.238 4.222 4.470 -0.017 0.000 0.347 154 S C -0.336 174.261 174.600 -0.005 0.000 1.101 154 S CA 0.973 59.170 58.200 -0.006 0.000 1.009 154 S CB -0.810 62.385 63.200 -0.008 0.000 0.916 154 S HN 0.726 nan 8.310 nan 0.000 0.496 155 D N 0.853 121.251 120.400 -0.003 0.000 2.317 155 D HA 0.267 4.897 4.640 -0.017 0.000 0.234 155 D C 0.981 177.280 176.300 -0.002 0.000 1.112 155 D CA -0.350 53.648 54.000 -0.003 0.000 0.840 155 D CB 0.776 41.575 40.800 -0.002 0.000 1.078 155 D HN 0.415 nan 8.370 nan 0.000 0.486 156 E N 1.164 121.363 120.200 -0.002 0.000 2.285 156 E HA -0.060 4.280 4.350 -0.017 0.000 0.194 156 E C 1.322 177.921 176.600 -0.001 0.000 0.997 156 E CA 0.682 57.081 56.400 -0.001 0.000 0.845 156 E CB 0.429 30.128 29.700 -0.002 0.000 0.782 156 E HN 0.476 nan 8.360 nan 0.000 0.491 157 T N 0.579 115.132 114.554 -0.001 0.000 2.867 157 T HA -0.092 4.248 4.350 -0.017 0.000 0.268 157 T C 2.115 176.814 174.700 -0.001 0.000 1.057 157 T CA 0.733 62.832 62.100 -0.001 0.000 1.136 157 T CB -0.067 68.800 68.868 -0.001 0.000 0.874 157 T HN -0.016 nan 8.240 nan 0.000 0.466 158 V N 1.670 121.584 119.914 0.000 0.000 2.270 158 V HA -0.032 4.078 4.120 -0.017 0.000 0.245 158 V C 2.952 179.047 176.094 0.001 0.000 1.043 158 V CA 1.947 64.248 62.300 0.001 0.000 1.014 158 V CB -1.408 30.417 31.823 0.003 0.000 0.645 158 V HN 0.565 nan 8.190 nan 0.000 0.447 159 G N -0.623 108.178 108.800 0.001 0.000 2.448 159 G HA2 -0.271 3.679 3.960 -0.017 0.000 0.219 159 G HA3 -0.271 3.679 3.960 -0.017 0.000 0.219 159 G C 1.642 176.541 174.900 -0.001 0.000 1.127 159 G CA 0.926 46.026 45.100 0.001 0.000 0.766 159 G HN 0.482 nan 8.290 nan 0.000 0.552 160 K N -0.174 120.225 120.400 -0.001 0.000 2.097 160 K HA 0.123 4.433 4.320 -0.017 0.000 0.205 160 K C 2.415 179.014 176.600 -0.002 0.000 1.050 160 K CA 0.514 56.800 56.287 -0.001 0.000 0.938 160 K CB -0.183 32.316 32.500 -0.001 0.000 0.718 160 K HN 0.324 nan 8.250 nan 0.000 0.442 161 L N 0.747 121.969 121.223 -0.002 0.000 2.056 161 L HA -0.145 4.185 4.340 -0.017 0.000 0.207 161 L C 2.256 179.124 176.870 -0.004 0.000 1.078 161 L CA 0.936 55.774 54.840 -0.003 0.000 0.749 161 L CB -0.260 41.798 42.059 -0.002 0.000 0.901 161 L HN 0.180 nan 8.230 nan 0.000 0.433 162 I N -0.196 120.372 120.570 -0.003 0.000 2.179 162 I HA -0.277 3.883 4.170 -0.017 0.000 0.242 162 I C 2.790 178.903 176.117 -0.006 0.000 1.088 162 I CA 1.217 62.514 61.300 -0.005 0.000 1.357 162 I CB -0.564 37.434 38.000 -0.004 0.000 1.051 162 I HN 0.178 nan 8.210 nan 0.000 0.409 163 A N 0.339 123.157 122.820 -0.004 0.000 1.933 163 A HA -0.220 4.090 4.320 -0.017 0.000 0.218 163 A C 2.253 179.834 177.584 -0.005 0.000 1.175 163 A CA 1.693 53.728 52.037 -0.004 0.000 0.628 163 A CB -0.553 18.446 19.000 -0.003 0.000 0.814 163 A HN 0.456 nan 8.150 nan 0.000 0.444 164 E N -0.562 119.635 120.200 -0.004 0.000 2.152 164 E HA -0.033 4.307 4.350 -0.017 0.000 0.192 164 E C 2.263 178.859 176.600 -0.006 0.000 0.983 164 E CA 0.711 57.108 56.400 -0.005 0.000 0.818 164 E CB -0.186 29.512 29.700 -0.004 0.000 0.758 164 E HN 0.629 nan 8.360 nan 0.000 0.467 165 A N 0.908 123.724 122.820 -0.007 0.000 1.929 165 A HA -0.105 4.205 4.320 -0.017 0.000 0.216 165 A C 2.074 179.653 177.584 -0.010 0.000 1.176 165 A CA 0.983 53.015 52.037 -0.009 0.000 0.628 165 A CB -0.267 18.727 19.000 -0.010 0.000 0.816 165 A HN 0.126 nan 8.150 nan 0.000 0.444 166 M N -1.064 118.530 119.600 -0.010 0.000 2.492 166 M HA -0.060 4.410 4.480 -0.017 0.000 0.262 166 M C 1.215 177.510 176.300 -0.008 0.000 1.090 166 M CA 1.176 56.470 55.300 -0.010 0.000 1.110 166 M CB -0.290 32.303 32.600 -0.011 0.000 1.407 166 M HN 0.337 nan 8.290 nan 0.000 0.470 167 D N 0.378 120.774 120.400 -0.007 0.000 2.347 167 D HA -0.049 4.581 4.640 -0.017 0.000 0.213 167 D C 2.000 178.296 176.300 -0.006 0.000 0.985 167 D CA 0.798 54.795 54.000 -0.006 0.000 0.879 167 D CB 0.433 41.231 40.800 -0.005 0.000 0.919 167 D HN 0.034 nan 8.370 nan 0.000 0.526 168 K N -0.464 119.932 120.400 -0.006 0.000 2.121 168 K HA 0.052 4.362 4.320 -0.017 0.000 0.203 168 K C 1.905 178.501 176.600 -0.007 0.000 1.041 168 K CA 0.878 57.162 56.287 -0.006 0.000 0.969 168 K CB 0.037 32.533 32.500 -0.006 0.000 0.799 168 K HN 0.159 nan 8.250 nan 0.000 0.456 169 V N -2.455 117.455 119.914 -0.008 0.000 3.590 169 V HA 0.352 4.461 4.120 -0.017 0.000 0.265 169 V C 0.838 176.926 176.094 -0.008 0.000 1.239 169 V CA 0.434 62.729 62.300 -0.008 0.000 1.117 169 V CB -0.299 31.519 31.823 -0.010 0.000 0.818 169 V HN 0.392 nan 8.190 nan 0.000 0.451 170 G N 0.953 109.748 108.800 -0.009 0.000 2.566 170 G HA2 -0.162 3.788 3.960 -0.017 0.000 0.599 170 G HA3 -0.162 3.788 3.960 -0.017 0.000 0.599 170 G C 0.009 174.902 174.900 -0.010 0.000 1.292 170 G CA 0.007 45.102 45.100 -0.008 0.000 0.922 170 G HN 0.271 nan 8.290 nan 0.000 0.514 171 K N 0.024 120.419 120.400 -0.009 0.000 2.228 171 K HA 0.059 4.369 4.320 -0.017 0.000 0.202 171 K C 1.823 178.416 176.600 -0.013 0.000 1.051 171 K CA 1.407 57.688 56.287 -0.011 0.000 0.960 171 K CB 0.078 32.574 32.500 -0.007 0.000 0.743 171 K HN 0.465 nan 8.250 nan 0.000 0.458 172 E N 0.638 120.832 120.200 -0.011 0.000 2.447 172 E HA 0.025 4.364 4.350 -0.017 0.000 0.195 172 E C 1.010 177.602 176.600 -0.013 0.000 1.028 172 E CA 0.073 56.466 56.400 -0.010 0.000 0.876 172 E CB 0.219 29.915 29.700 -0.006 0.000 0.885 172 E HN 0.235 nan 8.360 nan 0.000 0.500 173 G N 1.323 110.115 108.800 -0.013 0.000 2.664 173 G HA2 0.211 4.161 3.960 -0.017 0.000 0.242 173 G HA3 0.211 4.161 3.960 -0.017 0.000 0.242 173 G C 0.089 174.977 174.900 -0.020 0.000 1.225 173 G CA -0.430 44.662 45.100 -0.013 0.000 0.849 173 G HN -0.044 nan 8.290 nan 0.000 0.581 174 V N 1.192 121.095 119.914 -0.018 0.000 2.383 174 V HA 0.390 4.500 4.120 -0.017 0.000 0.275 174 V C 0.151 176.229 176.094 -0.026 0.000 1.036 174 V CA -0.217 62.068 62.300 -0.025 0.000 0.889 174 V CB 0.828 32.639 31.823 -0.020 0.000 0.985 174 V HN 0.483 nan 8.190 nan 0.000 0.459 175 I N 4.213 124.762 120.570 -0.035 0.000 2.436 175 I HA 0.603 4.762 4.170 -0.017 0.000 0.289 175 I C -0.054 176.044 176.117 -0.032 0.000 1.010 175 I CA -0.105 61.177 61.300 -0.031 0.000 1.098 175 I CB 2.257 40.238 38.000 -0.032 0.000 1.266 175 I HN 0.562 nan 8.210 nan 0.000 0.434 176 T N 4.561 119.103 114.554 -0.021 0.000 2.900 176 T HA 0.592 4.932 4.350 -0.017 0.000 0.295 176 T C -0.602 174.093 174.700 -0.007 0.000 1.044 176 T CA -0.651 61.440 62.100 -0.015 0.000 0.995 176 T CB 2.498 71.358 68.868 -0.014 0.000 1.072 176 T HN 0.161 nan 8.240 nan 0.000 0.473 177 V N 2.910 122.823 119.914 -0.000 0.000 2.459 177 V HA 0.602 4.711 4.120 -0.017 0.000 0.295 177 V C -0.155 175.941 176.094 0.003 0.000 1.029 177 V CA -0.627 61.675 62.300 0.003 0.000 0.874 177 V CB 1.526 33.354 31.823 0.009 0.000 0.985 177 V HN 1.031 nan 8.190 nan 0.000 0.438 178 E N 2.529 122.729 120.200 0.001 0.000 2.445 178 E HA 0.500 4.839 4.350 -0.017 0.000 0.273 178 E C -1.502 175.098 176.600 -0.001 0.000 0.961 178 E CA -1.124 55.276 56.400 -0.000 0.000 0.807 178 E CB 1.467 31.166 29.700 -0.003 0.000 1.362 178 E HN 0.449 nan 8.360 nan 0.000 0.453 179 D N 0.564 120.963 120.400 -0.002 0.000 2.443 179 D HA 0.155 4.785 4.640 -0.017 0.000 0.239 179 D C 0.164 176.462 176.300 -0.004 0.000 1.136 179 D CA 0.520 54.518 54.000 -0.003 0.000 0.879 179 D CB 1.080 41.878 40.800 -0.003 0.000 1.195 179 D HN 0.536 nan 8.370 nan 0.000 0.443 180 G N -0.196 108.602 108.800 -0.003 0.000 2.537 180 G HA2 0.275 4.224 3.960 -0.017 0.000 0.273 180 G HA3 0.275 4.224 3.960 -0.017 0.000 0.273 180 G C 1.066 175.963 174.900 -0.004 0.000 1.189 180 G CA -0.231 44.867 45.100 -0.004 0.000 0.881 180 G HN 0.454 nan 8.290 nan 0.000 0.535 181 T N -2.238 112.313 114.554 -0.005 0.000 3.031 181 T HA 0.410 4.750 4.350 -0.017 0.000 0.254 181 T C 1.275 175.972 174.700 -0.004 0.000 1.060 181 T CA 1.131 63.228 62.100 -0.005 0.000 1.135 181 T CB 0.246 69.110 68.868 -0.005 0.000 0.896 181 T HN 0.996 nan 8.240 nan 0.000 0.472 182 G N 0.830 109.628 108.800 -0.004 0.000 3.400 182 G HA2 0.458 4.408 3.960 -0.017 0.000 0.167 182 G HA3 0.458 4.408 3.960 -0.017 0.000 0.167 182 G C -0.225 174.673 174.900 -0.003 0.000 1.196 182 G CA -0.011 45.086 45.100 -0.003 0.000 1.174 182 G HN 0.255 nan 8.290 nan 0.000 0.681 183 L N -0.056 121.165 121.223 -0.003 0.000 2.664 183 L HA 0.551 4.881 4.340 -0.017 0.000 0.233 183 L C 0.559 177.427 176.870 -0.003 0.000 1.113 183 L CA 0.529 55.367 54.840 -0.003 0.000 0.896 183 L CB 0.185 42.242 42.059 -0.003 0.000 1.163 183 L HN 0.409 nan 8.230 nan 0.000 0.497 184 Q N 0.063 119.861 119.800 -0.003 0.000 2.377 184 Q HA 0.287 4.617 4.340 -0.017 0.000 0.271 184 Q C -1.176 174.822 176.000 -0.003 0.000 1.077 184 Q CA -0.882 54.919 55.803 -0.003 0.000 0.820 184 Q CB 1.791 30.528 28.738 -0.003 0.000 1.347 184 Q HN 0.079 nan 8.270 nan 0.000 0.444 185 D N 2.677 123.076 120.400 -0.003 0.000 2.371 185 D HA 0.060 4.690 4.640 -0.017 0.000 0.256 185 D C -0.445 175.854 176.300 -0.003 0.000 1.193 185 D CA 0.586 54.584 54.000 -0.003 0.000 0.881 185 D CB 0.831 41.630 40.800 -0.002 0.000 1.143 185 D HN 0.332 nan 8.370 nan 0.000 0.473 186 E N 0.887 121.085 120.200 -0.004 0.000 2.212 186 E HA 0.561 4.900 4.350 -0.017 0.000 0.270 186 E C -0.720 175.877 176.600 -0.004 0.000 0.956 186 E CA -1.029 55.369 56.400 -0.004 0.000 0.825 186 E CB 2.299 31.996 29.700 -0.004 0.000 1.167 186 E HN 0.110 nan 8.360 nan 0.000 0.400 187 L N 2.727 123.947 121.223 -0.005 0.000 2.555 187 L HA 0.357 4.687 4.340 -0.017 0.000 0.264 187 L C -1.899 174.968 176.870 -0.005 0.000 0.972 187 L CA -0.275 54.562 54.840 -0.005 0.000 0.876 187 L CB 1.304 43.361 42.059 -0.005 0.000 1.216 187 L HN 0.384 nan 8.230 nan 0.000 0.415 188 D N 3.566 123.963 120.400 -0.006 0.000 2.419 188 D HA 0.555 5.185 4.640 -0.017 0.000 0.234 188 D C -0.876 175.420 176.300 -0.006 0.000 1.014 188 D CA -0.290 53.707 54.000 -0.006 0.000 0.919 188 D CB 2.951 43.748 40.800 -0.006 0.000 1.366 188 D HN 0.202 nan 8.370 nan 0.000 0.490 189 V N 1.487 121.398 119.914 -0.006 0.000 2.313 189 V HA 0.309 4.419 4.120 -0.017 0.000 0.278 189 V C 0.309 176.400 176.094 -0.005 0.000 1.017 189 V CA -0.700 61.597 62.300 -0.005 0.000 0.823 189 V CB 1.113 32.933 31.823 -0.005 0.000 1.010 189 V HN 0.418 nan 8.190 nan 0.000 0.443 190 V N 1.638 121.549 119.914 -0.005 0.000 2.850 190 V HA 0.647 4.756 4.120 -0.017 0.000 0.315 190 V C 0.087 176.180 176.094 -0.002 0.000 1.064 190 V CA -0.987 61.311 62.300 -0.004 0.000 0.979 190 V CB 1.933 33.752 31.823 -0.006 0.000 1.039 190 V HN 0.676 nan 8.190 nan 0.000 0.452 191 E N 2.368 122.567 120.200 -0.001 0.000 2.238 191 E HA 0.487 4.827 4.350 -0.017 0.000 0.264 191 E C 0.283 176.887 176.600 0.007 0.000 1.136 191 E CA 0.653 57.055 56.400 0.003 0.000 0.929 191 E CB 0.717 30.419 29.700 0.002 0.000 1.010 191 E HN 1.081 nan 8.360 nan 0.000 0.440 192 G N 1.701 110.508 108.800 0.011 0.000 2.721 192 G HA2 0.693 4.643 3.960 -0.017 0.000 0.296 192 G HA3 0.693 4.643 3.960 -0.017 0.000 0.296 192 G C -1.138 173.781 174.900 0.031 0.000 1.383 192 G CA -0.636 44.476 45.100 0.020 0.000 0.788 192 G HN 0.370 nan 8.290 nan 0.000 0.500 193 M N -0.031 119.598 119.600 0.049 0.000 2.520 193 M HA 0.492 4.961 4.480 -0.017 0.000 0.280 193 M C -2.070 174.281 176.300 0.084 0.000 1.232 193 M CA -0.624 54.722 55.300 0.078 0.000 0.892 193 M CB 2.712 35.380 32.600 0.114 0.000 1.728 193 M HN 0.625 nan 8.290 nan 0.000 0.475 194 Q N 3.624 123.471 119.800 0.079 0.000 2.304 194 Q HA 0.630 4.960 4.340 -0.017 0.000 0.270 194 Q C -2.093 173.961 176.000 0.090 0.000 1.035 194 Q CA -0.607 55.197 55.803 0.003 0.000 0.781 194 Q CB 1.969 30.678 28.738 -0.048 0.000 1.261 194 Q HN 0.592 nan 8.270 nan 0.000 0.444 195 F N 0.123 120.073 119.950 0.000 0.000 2.611 195 F HA 0.547 5.063 4.527 -0.018 0.000 0.324 195 F C -0.311 175.491 175.800 0.004 0.000 1.061 195 F CA -1.116 56.886 58.000 0.005 0.000 0.954 195 F CB 1.201 40.206 39.000 0.009 0.000 1.301 195 F HN 0.322 nan 8.300 nan 0.000 0.482 196 D N 2.514 123.033 120.400 0.197 0.000 3.134 196 D HA 0.152 4.782 4.640 -0.017 0.000 0.248 196 D C -0.379 176.003 176.300 0.135 0.000 1.273 196 D CA 0.149 54.200 54.000 0.085 0.000 0.904 196 D CB 0.080 40.927 40.800 0.079 0.000 1.089 196 D HN 0.301 nan 8.370 nan 0.000 0.478 197 R N 0.373 120.973 120.500 0.167 0.000 2.514 197 R HA 0.490 4.820 4.340 -0.017 0.000 0.296 197 R C 0.268 176.573 176.300 0.009 0.000 1.012 197 R CA -0.614 55.597 56.100 0.184 0.000 0.897 197 R CB 2.213 32.764 30.300 0.418 0.000 1.184 197 R HN 0.111 nan 8.270 nan 0.000 0.440 198 G N 1.204 109.963 108.800 -0.070 0.000 2.795 198 G HA2 0.400 4.350 3.960 -0.017 0.000 0.267 198 G HA3 0.400 4.350 3.960 -0.017 0.000 0.267 198 G C -0.688 174.163 174.900 -0.082 0.000 1.362 198 G CA -0.630 44.348 45.100 -0.203 0.000 1.048 198 G HN 0.467 nan 8.290 nan 0.000 0.547 199 Y N -0.783 119.581 120.300 0.107 0.000 2.717 199 Y HA 0.254 4.795 4.550 -0.014 0.000 0.330 199 Y C 1.327 177.352 175.900 0.209 0.000 1.217 199 Y CA -0.761 57.457 58.100 0.197 0.000 1.506 199 Y CB 0.426 39.056 38.460 0.283 0.000 1.268 199 Y HN 0.248 nan 8.280 nan 0.000 0.561 200 L N 1.698 123.189 121.223 0.447 0.000 2.240 200 L HA 0.005 4.334 4.340 -0.017 0.000 0.211 200 L C 0.724 177.805 176.870 0.351 0.000 1.106 200 L CA 1.064 56.101 54.840 0.327 0.000 0.793 200 L CB 0.108 42.319 42.059 0.254 0.000 0.927 200 L HN 0.778 nan 8.230 nan 0.000 0.446 201 S N -0.227 115.739 115.700 0.443 0.000 2.707 201 S HA 0.380 4.840 4.470 -0.017 0.000 0.303 201 S C -2.440 172.162 174.600 0.004 0.000 1.132 201 S CA -1.390 56.920 58.200 0.184 0.000 1.046 201 S CB 1.368 64.548 63.200 -0.033 0.000 1.004 201 S HN -0.093 nan 8.310 nan 0.000 0.483 202 P HA 0.085 nan 4.420 nan 0.000 0.235 202 P C -0.709 176.312 177.300 -0.465 0.000 1.670 202 P CA 0.451 63.277 63.100 -0.456 0.000 1.017 202 P CB -0.545 31.039 31.700 -0.192 0.000 1.945 203 Y N -1.455 118.477 120.300 -0.613 0.000 2.524 203 Y HA 0.176 4.724 4.550 -0.004 0.000 0.276 203 Y C 1.863 177.479 175.900 -0.472 0.000 1.155 203 Y CA 0.016 57.787 58.100 -0.549 0.000 1.165 203 Y CB -0.112 37.980 38.460 -0.614 0.000 1.306 203 Y HN -0.136 nan 8.280 nan 0.000 0.522 204 F N 0.816 120.766 119.950 0.000 0.000 2.546 204 F HA 0.024 4.543 4.527 -0.014 0.000 0.298 204 F C 0.759 176.524 175.800 -0.059 0.000 1.120 204 F CA 0.061 58.056 58.000 -0.007 0.000 1.456 204 F CB -0.967 38.046 39.000 0.021 0.000 1.088 204 F HN -0.170 nan 8.300 nan 0.000 0.572 205 I N 2.733 123.278 120.570 -0.040 0.000 2.821 205 I HA -0.214 3.946 4.170 -0.017 0.000 0.294 205 I C 0.562 176.657 176.117 -0.037 0.000 1.210 205 I CA 0.593 61.847 61.300 -0.077 0.000 1.430 205 I CB 0.188 38.067 38.000 -0.202 0.000 1.356 205 I HN 0.251 nan 8.210 nan 0.000 0.563 206 N N 4.741 123.438 118.700 -0.006 0.000 2.159 206 N HA 0.133 4.862 4.740 -0.017 0.000 0.217 206 N C -0.195 175.307 175.510 -0.014 0.000 1.223 206 N CA -0.321 52.726 53.050 -0.006 0.000 0.896 206 N CB 0.410 38.907 38.487 0.016 0.000 1.064 206 N HN 0.278 nan 8.380 nan 0.000 0.518 207 K N 0.893 121.283 120.400 -0.016 0.000 2.139 207 K HA 0.449 4.758 4.320 -0.017 0.000 0.243 207 K C -1.616 174.966 176.600 -0.029 0.000 0.983 207 K CA -1.573 54.705 56.287 -0.015 0.000 0.890 207 K CB 1.400 33.900 32.500 -0.000 0.000 1.090 207 K HN -0.069 nan 8.250 nan 0.000 0.445 208 P HA 0.154 nan 4.420 nan 0.000 0.195 208 P C 0.531 177.811 177.300 -0.033 0.000 1.172 208 P CA 0.534 63.614 63.100 -0.033 0.000 0.850 208 P CB 0.223 31.906 31.700 -0.029 0.000 0.699 209 E N -0.410 119.773 120.200 -0.029 0.000 2.204 209 E HA -0.087 4.253 4.350 -0.017 0.000 0.194 209 E C 1.841 178.422 176.600 -0.031 0.000 0.989 209 E CA 1.624 58.005 56.400 -0.033 0.000 0.824 209 E CB -1.108 28.571 29.700 -0.034 0.000 0.756 209 E HN 0.337 nan 8.360 nan 0.000 0.477 210 T N -1.199 113.344 114.554 -0.018 0.000 2.857 210 T HA 0.017 4.357 4.350 -0.017 0.000 0.266 210 T C 1.591 176.301 174.700 0.016 0.000 1.048 210 T CA 0.791 62.890 62.100 -0.002 0.000 1.139 210 T CB -0.400 68.478 68.868 0.017 0.000 0.874 210 T HN 0.353 nan 8.240 nan 0.000 0.455 211 G N 1.707 110.511 108.800 0.007 0.000 2.246 211 G HA2 0.053 4.003 3.960 -0.017 0.000 0.273 211 G HA3 0.053 4.003 3.960 -0.017 0.000 0.273 211 G C 0.042 174.987 174.900 0.074 0.000 1.055 211 G CA 0.045 45.153 45.100 0.013 0.000 0.851 211 G HN 0.983 nan 8.290 nan 0.000 0.500 212 A N -1.439 121.419 122.820 0.064 0.000 2.387 212 A HA 0.959 5.269 4.320 -0.017 0.000 0.298 212 A C -0.170 177.462 177.584 0.079 0.000 1.165 212 A CA -0.277 51.830 52.037 0.117 0.000 0.814 212 A CB 1.974 21.031 19.000 0.094 0.000 1.357 212 A HN 1.256 nan 8.150 nan 0.000 0.443 213 V N 0.779 120.761 119.914 0.114 0.000 2.459 213 V HA 0.511 4.621 4.120 -0.017 0.000 0.295 213 V C -0.167 175.964 176.094 0.062 0.000 1.029 213 V CA -0.441 61.915 62.300 0.093 0.000 0.874 213 V CB 1.294 33.201 31.823 0.140 0.000 0.985 213 V HN 0.931 nan 8.190 nan 0.000 0.438 214 E N 4.533 124.760 120.200 0.044 0.000 2.176 214 E HA 0.668 5.007 4.350 -0.017 0.000 0.267 214 E C -1.678 174.935 176.600 0.023 0.000 0.893 214 E CA -0.630 55.786 56.400 0.027 0.000 0.761 214 E CB 1.517 31.228 29.700 0.018 0.000 1.133 214 E HN 0.660 nan 8.360 nan 0.000 0.409 215 L N 4.046 125.277 121.223 0.014 0.000 2.372 215 L HA 0.398 4.728 4.340 -0.017 0.000 0.274 215 L C -0.469 176.396 176.870 -0.008 0.000 0.988 215 L CA -0.967 53.877 54.840 0.007 0.000 0.833 215 L CB 1.720 43.783 42.059 0.008 0.000 1.236 215 L HN 0.443 nan 8.230 nan 0.000 0.410 216 E N 1.970 122.163 120.200 -0.011 0.000 2.194 216 E HA 0.101 4.440 4.350 -0.017 0.000 0.284 216 E C 0.302 176.873 176.600 -0.049 0.000 1.035 216 E CA -0.152 56.233 56.400 -0.025 0.000 0.836 216 E CB 1.587 31.276 29.700 -0.018 0.000 1.070 216 E HN 0.581 nan 8.360 nan 0.000 0.401 217 S N 3.287 118.944 115.700 -0.072 0.000 3.436 217 S HA -0.122 4.338 4.470 -0.017 0.000 0.393 217 S C -2.534 171.953 174.600 -0.188 0.000 0.914 217 S CA -0.282 57.839 58.200 -0.132 0.000 1.317 217 S CB -0.658 62.461 63.200 -0.136 0.000 0.920 217 S HN 0.256 nan 8.310 nan 0.000 0.564 218 P HA 0.540 nan 4.420 nan 0.000 0.296 218 P C -0.143 177.063 177.300 -0.157 0.000 1.301 218 P CA -0.782 62.251 63.100 -0.112 0.000 0.862 218 P CB 0.458 32.144 31.700 -0.023 0.000 1.046 219 F N 1.741 121.691 119.950 -0.000 0.000 2.459 219 F HA 0.286 4.802 4.527 -0.018 0.000 0.346 219 F C 1.073 176.873 175.800 0.000 0.000 1.128 219 F CA 0.290 58.290 58.000 -0.000 0.000 1.268 219 F CB 0.230 39.228 39.000 -0.002 0.000 1.161 219 F HN 0.067 nan 8.300 nan 0.000 0.583 220 I N 4.141 124.827 120.570 0.193 0.000 2.406 220 I HA 0.286 4.445 4.170 -0.017 0.000 0.290 220 I C -1.095 175.076 176.117 0.091 0.000 0.999 220 I CA -0.889 60.478 61.300 0.111 0.000 1.124 220 I CB 1.779 39.825 38.000 0.076 0.000 1.289 220 I HN 0.306 nan 8.210 nan 0.000 0.441 221 L N 8.135 129.394 121.223 0.061 0.000 2.317 221 L HA 0.649 4.978 4.340 -0.017 0.000 0.281 221 L C -1.198 175.682 176.870 0.017 0.000 1.024 221 L CA -0.277 54.582 54.840 0.032 0.000 0.810 221 L CB 1.397 43.465 42.059 0.016 0.000 1.240 221 L HN 0.433 nan 8.230 nan 0.000 0.427 222 L N 5.373 126.600 121.223 0.006 0.000 2.406 222 L HA 0.885 5.215 4.340 -0.017 0.000 0.272 222 L C -0.656 176.208 176.870 -0.011 0.000 0.980 222 L CA -0.561 54.274 54.840 -0.008 0.000 0.831 222 L CB 1.695 43.745 42.059 -0.014 0.000 1.253 222 L HN 0.771 nan 8.230 nan 0.000 0.406 223 A N 1.094 123.906 122.820 -0.014 0.000 2.449 223 A HA 0.554 4.864 4.320 -0.017 0.000 0.302 223 A C -0.734 176.843 177.584 -0.012 0.000 1.048 223 A CA -0.410 51.621 52.037 -0.011 0.000 0.708 223 A CB 1.727 20.724 19.000 -0.005 0.000 1.274 223 A HN 0.651 nan 8.150 nan 0.000 0.410 224 D N 0.831 121.225 120.400 -0.010 0.000 2.587 224 D HA 0.294 4.924 4.640 -0.017 0.000 0.233 224 D C -0.164 176.136 176.300 -0.001 0.000 1.213 224 D CA 0.272 54.267 54.000 -0.008 0.000 0.827 224 D CB -0.242 40.552 40.800 -0.009 0.000 1.006 224 D HN 0.580 nan 8.370 nan 0.000 0.490 225 K N -1.732 118.669 120.400 0.002 0.000 2.555 225 K HA 0.432 4.742 4.320 -0.017 0.000 0.279 225 K C -0.795 175.811 176.600 0.009 0.000 0.986 225 K CA -0.972 55.319 56.287 0.006 0.000 0.880 225 K CB 1.157 33.660 32.500 0.005 0.000 1.474 225 K HN -0.311 nan 8.250 nan 0.000 0.433 226 K N 1.263 121.670 120.400 0.013 0.000 2.270 226 K HA 0.343 4.653 4.320 -0.017 0.000 0.276 226 K C -0.432 176.177 176.600 0.015 0.000 1.023 226 K CA -0.283 56.014 56.287 0.016 0.000 0.955 226 K CB 0.382 32.893 32.500 0.018 0.000 0.975 226 K HN 0.486 nan 8.250 nan 0.000 0.471 227 I N 1.467 122.048 120.570 0.018 0.000 2.418 227 I HA 0.096 4.256 4.170 -0.017 0.000 0.287 227 I C 0.389 176.518 176.117 0.020 0.000 1.008 227 I CA -0.098 61.212 61.300 0.017 0.000 1.104 227 I CB 1.928 39.938 38.000 0.016 0.000 1.264 227 I HN 0.594 nan 8.210 nan 0.000 0.438 228 S N 2.704 118.414 115.700 0.016 0.000 2.727 228 S HA 0.204 4.663 4.470 -0.017 0.000 0.249 228 S C 0.508 175.115 174.600 0.012 0.000 1.079 228 S CA -0.131 58.078 58.200 0.016 0.000 0.912 228 S CB 0.259 63.467 63.200 0.014 0.000 0.861 228 S HN 0.575 nan 8.310 nan 0.000 0.484 229 N N 1.532 120.238 118.700 0.009 0.000 2.479 229 N HA 0.376 5.106 4.740 -0.017 0.000 0.285 229 N C 0.567 176.081 175.510 0.007 0.000 1.075 229 N CA -0.105 52.949 53.050 0.007 0.000 0.967 229 N CB 0.991 39.480 38.487 0.004 0.000 1.137 229 N HN 0.139 nan 8.380 nan 0.000 0.472 230 I N 1.451 122.024 120.570 0.006 0.000 2.406 230 I HA -0.024 4.136 4.170 -0.017 0.000 0.249 230 I C 1.098 177.216 176.117 0.002 0.000 1.122 230 I CA 0.588 61.892 61.300 0.006 0.000 1.431 230 I CB 0.232 38.236 38.000 0.007 0.000 1.087 230 I HN 0.392 nan 8.210 nan 0.000 0.424 231 R N 1.588 122.089 120.500 0.000 0.000 4.113 231 R HA -0.008 4.322 4.340 -0.017 0.000 0.179 231 R C 0.496 176.794 176.300 -0.003 0.000 1.781 231 R CA 0.385 56.483 56.100 -0.002 0.000 1.402 231 R CB -0.174 30.125 30.300 -0.003 0.000 1.375 231 R HN 0.466 nan 8.270 nan 0.000 0.786 232 E N 0.308 120.506 120.200 -0.004 0.000 2.550 232 E HA 0.054 4.394 4.350 -0.017 0.000 0.206 232 E C 0.651 177.245 176.600 -0.010 0.000 0.845 232 E CA 0.211 56.607 56.400 -0.005 0.000 1.461 232 E CB 0.479 30.177 29.700 -0.003 0.000 1.452 232 E HN 0.406 nan 8.360 nan 0.000 0.780 233 M N 0.563 120.157 119.600 -0.010 0.000 2.313 233 M HA 0.245 4.715 4.480 -0.017 0.000 0.273 233 M C 1.444 177.731 176.300 -0.022 0.000 1.049 233 M CA 0.045 55.335 55.300 -0.017 0.000 1.004 233 M CB 0.679 33.270 32.600 -0.014 0.000 1.461 233 M HN -0.018 nan 8.290 nan 0.000 0.514 234 L N 1.817 123.029 121.223 -0.017 0.000 2.261 234 L HA -0.125 4.204 4.340 -0.017 0.000 0.216 234 L C -0.391 176.463 176.870 -0.027 0.000 1.114 234 L CA 1.102 55.931 54.840 -0.019 0.000 0.777 234 L CB -1.313 40.739 42.059 -0.013 0.000 0.910 234 L HN 0.205 nan 8.230 nan 0.000 0.440 235 P HA -0.106 nan 4.420 nan 0.000 0.220 235 P C 1.661 178.925 177.300 -0.059 0.000 1.148 235 P CA 1.220 64.296 63.100 -0.040 0.000 0.803 235 P CB 0.160 31.838 31.700 -0.037 0.000 0.782 236 V N -0.355 119.521 119.914 -0.064 0.000 2.599 236 V HA -0.060 4.049 4.120 -0.017 0.000 0.245 236 V C 2.594 178.634 176.094 -0.090 0.000 1.046 236 V CA 1.055 63.298 62.300 -0.095 0.000 1.065 236 V CB -0.987 30.785 31.823 -0.086 0.000 0.703 236 V HN -0.021 nan 8.190 nan 0.000 0.464 237 L N -0.342 120.849 121.223 -0.054 0.000 2.395 237 L HA 0.031 4.361 4.340 -0.017 0.000 0.218 237 L C 2.263 179.115 176.870 -0.031 0.000 1.130 237 L CA 1.064 55.883 54.840 -0.035 0.000 0.826 237 L CB -0.319 41.730 42.059 -0.017 0.000 0.941 237 L HN 0.346 nan 8.230 nan 0.000 0.451 238 E N 0.050 120.228 120.200 -0.037 0.000 2.400 238 E HA 0.040 4.379 4.350 -0.017 0.000 0.195 238 E C 1.992 178.568 176.600 -0.041 0.000 1.012 238 E CA 0.596 56.978 56.400 -0.030 0.000 0.875 238 E CB 0.248 29.933 29.700 -0.025 0.000 0.859 238 E HN 0.432 nan 8.360 nan 0.000 0.498 239 A N 0.594 123.373 122.820 -0.069 0.000 2.195 239 A HA 0.049 4.359 4.320 -0.017 0.000 0.210 239 A C 2.076 179.592 177.584 -0.113 0.000 1.165 239 A CA 0.130 52.111 52.037 -0.095 0.000 0.806 239 A CB 0.200 19.120 19.000 -0.133 0.000 0.847 239 A HN 0.054 nan 8.150 nan 0.000 0.482 240 V N -0.271 119.587 119.914 -0.093 0.000 3.041 240 V HA -0.110 3.999 4.120 -0.017 0.000 0.260 240 V C 2.727 178.831 176.094 0.017 0.000 1.105 240 V CA 1.355 63.633 62.300 -0.037 0.000 1.125 240 V CB -0.520 31.296 31.823 -0.012 0.000 0.730 240 V HN 0.570 nan 8.190 nan 0.000 0.479 241 A N -0.803 122.017 122.820 0.001 0.000 2.172 241 A HA -0.074 4.236 4.320 -0.017 0.000 0.216 241 A C 1.321 178.916 177.584 0.019 0.000 1.154 241 A CA 0.761 52.805 52.037 0.012 0.000 0.701 241 A CB -0.240 18.762 19.000 0.003 0.000 0.789 241 A HN 0.458 nan 8.150 nan 0.000 0.465 242 K N -0.764 119.646 120.400 0.017 0.000 2.258 242 K HA 0.431 4.741 4.320 -0.017 0.000 0.284 242 K C 0.998 177.641 176.600 0.070 0.000 1.051 242 K CA 0.409 56.714 56.287 0.031 0.000 0.923 242 K CB 0.676 33.185 32.500 0.015 0.000 1.046 242 K HN 0.480 nan 8.250 nan 0.000 0.474 243 A N 3.280 126.137 122.820 0.063 0.000 3.925 243 A HA -0.261 4.049 4.320 -0.017 0.000 0.247 243 A C 1.087 178.714 177.584 0.072 0.000 0.630 243 A CA 1.784 53.864 52.037 0.072 0.000 1.174 243 A CB -2.231 16.828 19.000 0.099 0.000 1.222 243 A HN 1.432 nan 8.150 nan 0.000 0.676 244 G N -1.379 107.475 108.800 0.090 0.000 2.248 244 G HA2 -0.147 3.803 3.960 -0.017 0.000 0.252 244 G HA3 -0.147 3.803 3.960 -0.017 0.000 0.252 244 G C -0.283 174.675 174.900 0.097 0.000 1.085 244 G CA 0.920 46.068 45.100 0.080 0.000 0.845 244 G HN 1.202 nan 8.290 nan 0.000 0.494 245 K N 1.071 121.575 120.400 0.173 0.000 2.285 245 K HA 0.430 4.740 4.320 -0.017 0.000 0.286 245 K C -2.125 174.598 176.600 0.204 0.000 1.072 245 K CA -1.812 54.566 56.287 0.152 0.000 0.913 245 K CB 1.297 33.860 32.500 0.105 0.000 1.067 245 K HN 0.108 nan 8.250 nan 0.000 0.479 246 P HA -0.050 nan 4.420 nan 0.000 0.270 246 P C -1.095 176.281 177.300 0.127 0.000 1.227 246 P CA -0.407 62.747 63.100 0.090 0.000 0.788 246 P CB 0.440 32.165 31.700 0.042 0.000 0.926 247 L N 2.261 123.534 121.223 0.084 0.000 2.365 247 L HA 0.611 4.941 4.340 -0.017 0.000 0.273 247 L C -1.442 175.436 176.870 0.014 0.000 1.000 247 L CA -0.773 54.117 54.840 0.082 0.000 0.819 247 L CB 1.504 43.602 42.059 0.064 0.000 1.284 247 L HN 0.156 nan 8.230 nan 0.000 0.418 248 L N 5.832 127.073 121.223 0.030 0.000 2.333 248 L HA 0.639 4.968 4.340 -0.017 0.000 0.280 248 L C -1.266 175.612 176.870 0.013 0.000 1.004 248 L CA -0.222 54.619 54.840 0.002 0.000 0.820 248 L CB 1.269 43.346 42.059 0.030 0.000 1.247 248 L HN 0.438 nan 8.230 nan 0.000 0.416 249 I N 7.166 127.727 120.570 -0.015 0.000 2.328 249 I HA 0.303 4.463 4.170 -0.017 0.000 0.287 249 I C -0.294 175.838 176.117 0.025 0.000 1.012 249 I CA -0.234 61.067 61.300 0.001 0.000 1.195 249 I CB 1.036 39.026 38.000 -0.016 0.000 1.350 249 I HN 0.567 nan 8.210 nan 0.000 0.464 250 I N 5.941 126.530 120.570 0.031 0.000 2.337 250 I HA 0.606 4.766 4.170 -0.017 0.000 0.285 250 I C 0.352 176.463 176.117 -0.009 0.000 1.041 250 I CA -0.184 61.130 61.300 0.023 0.000 1.199 250 I CB 1.106 39.103 38.000 -0.006 0.000 1.370 250 I HN 0.638 nan 8.210 nan 0.000 0.470 251 A N 4.385 127.206 122.820 0.002 0.000 2.532 251 A HA 0.428 4.738 4.320 -0.017 0.000 0.290 251 A C 0.814 178.401 177.584 0.005 0.000 1.143 251 A CA -0.575 51.462 52.037 -0.001 0.000 0.728 251 A CB 1.477 20.482 19.000 0.008 0.000 1.317 251 A HN 0.716 nan 8.150 nan 0.000 0.414 252 E N -0.373 119.830 120.200 0.005 0.000 2.108 252 E HA -0.215 4.125 4.350 -0.017 0.000 0.203 252 E C -0.431 176.187 176.600 0.030 0.000 1.022 252 E CA 2.052 58.462 56.400 0.016 0.000 0.823 252 E CB 0.100 29.810 29.700 0.017 0.000 0.744 252 E HN 0.602 nan 8.360 nan 0.000 0.456 253 D N -2.460 117.958 120.400 0.031 0.000 2.683 253 D HA 0.201 4.831 4.640 -0.017 0.000 0.246 253 D C -1.770 174.555 176.300 0.042 0.000 1.238 253 D CA -0.467 53.557 54.000 0.042 0.000 0.759 253 D CB 2.364 43.188 40.800 0.040 0.000 1.349 253 D HN -0.146 nan 8.370 nan 0.000 0.426 254 V N 1.953 121.900 119.914 0.056 0.000 2.315 254 V HA 0.407 4.517 4.120 -0.017 0.000 0.265 254 V C -0.457 175.678 176.094 0.068 0.000 1.019 254 V CA -0.475 61.860 62.300 0.058 0.000 0.824 254 V CB 1.172 33.034 31.823 0.065 0.000 1.072 254 V HN 0.340 nan 8.190 nan 0.000 0.448 255 E N 2.206 122.437 120.200 0.051 0.000 2.283 255 E HA 0.643 4.983 4.350 -0.017 0.000 0.258 255 E C 0.280 176.900 176.600 0.033 0.000 0.893 255 E CA 0.579 57.008 56.400 0.047 0.000 0.798 255 E CB 2.194 31.920 29.700 0.044 0.000 1.242 255 E HN 0.701 nan 8.360 nan 0.000 0.414 256 G N 4.322 113.139 108.800 0.029 0.000 2.013 256 G HA2 -0.194 3.756 3.960 -0.017 0.000 0.076 256 G HA3 -0.194 3.756 3.960 -0.017 0.000 0.076 256 G C 0.537 175.444 174.900 0.013 0.000 1.053 256 G CA 0.202 45.312 45.100 0.018 0.000 1.230 256 G HN 0.435 nan 8.290 nan 0.000 0.431 257 E N 0.792 120.998 120.200 0.011 0.000 2.166 257 E HA 0.224 4.563 4.350 -0.017 0.000 0.192 257 E C 2.656 179.264 176.600 0.013 0.000 0.967 257 E CA 1.342 57.746 56.400 0.007 0.000 0.840 257 E CB 0.026 29.728 29.700 0.004 0.000 0.795 257 E HN 0.635 nan 8.360 nan 0.000 0.470 258 A N 1.804 124.636 122.820 0.020 0.000 1.908 258 A HA -0.180 4.130 4.320 -0.017 0.000 0.218 258 A C 2.215 179.826 177.584 0.044 0.000 1.181 258 A CA 1.463 53.515 52.037 0.026 0.000 0.627 258 A CB -0.729 18.286 19.000 0.025 0.000 0.818 258 A HN 0.344 nan 8.150 nan 0.000 0.445 259 L N -0.106 121.149 121.223 0.054 0.000 1.970 259 L HA -0.095 4.234 4.340 -0.017 0.000 0.212 259 L C 2.624 179.534 176.870 0.067 0.000 1.071 259 L CA 2.596 57.489 54.840 0.088 0.000 0.751 259 L CB -0.865 41.245 42.059 0.084 0.000 0.889 259 L HN 0.312 nan 8.230 nan 0.000 0.432 260 A N -1.663 121.167 122.820 0.016 0.000 2.019 260 A HA -0.165 4.144 4.320 -0.017 0.000 0.219 260 A C 2.167 179.732 177.584 -0.032 0.000 1.164 260 A CA 2.143 54.160 52.037 -0.033 0.000 0.644 260 A CB -1.143 17.833 19.000 -0.041 0.000 0.805 260 A HN 0.616 nan 8.150 nan 0.000 0.449 261 T N 0.374 114.930 114.554 0.002 0.000 2.809 261 T HA 0.005 4.345 4.350 -0.017 0.000 0.260 261 T C 1.810 176.529 174.700 0.032 0.000 1.039 261 T CA 1.243 63.347 62.100 0.007 0.000 1.141 261 T CB -0.388 68.487 68.868 0.012 0.000 0.869 261 T HN 0.371 nan 8.240 nan 0.000 0.437 262 L N 1.059 122.326 121.223 0.073 0.000 2.079 262 L HA -0.088 4.242 4.340 -0.017 0.000 0.210 262 L C 2.693 179.692 176.870 0.216 0.000 1.081 262 L CA 0.783 55.704 54.840 0.135 0.000 0.752 262 L CB -0.953 41.197 42.059 0.151 0.000 0.896 262 L HN 0.127 nan 8.230 nan 0.000 0.433 263 V N -0.529 119.481 119.914 0.160 0.000 2.295 263 V HA -0.250 3.860 4.120 -0.017 0.000 0.246 263 V C 2.426 178.468 176.094 -0.086 0.000 1.049 263 V CA 1.706 63.984 62.300 -0.038 0.000 1.024 263 V CB -0.283 31.356 31.823 -0.307 0.000 0.648 263 V HN 0.204 nan 8.190 nan 0.000 0.447 264 V N 0.306 120.168 119.914 -0.086 0.000 2.358 264 V HA -0.210 3.900 4.120 -0.017 0.000 0.246 264 V C 2.097 178.189 176.094 -0.004 0.000 1.047 264 V CA 1.950 64.209 62.300 -0.067 0.000 1.035 264 V CB -0.853 30.930 31.823 -0.068 0.000 0.658 264 V HN 0.598 nan 8.190 nan 0.000 0.452 265 N N 0.454 119.169 118.700 0.024 0.000 2.453 265 N HA -0.124 4.606 4.740 -0.017 0.000 0.183 265 N C 1.883 177.429 175.510 0.060 0.000 1.041 265 N CA 1.741 54.814 53.050 0.038 0.000 0.900 265 N CB 0.045 38.555 38.487 0.039 0.000 0.961 265 N HN 0.718 nan 8.380 nan 0.000 0.443 266 T N -1.192 113.418 114.554 0.092 0.000 2.937 266 T HA 0.008 4.348 4.350 -0.017 0.000 0.260 266 T C 1.909 176.656 174.700 0.079 0.000 1.051 266 T CA 0.200 62.370 62.100 0.117 0.000 1.141 266 T CB -0.019 68.984 68.868 0.226 0.000 0.879 266 T HN 0.041 nan 8.240 nan 0.000 0.459 267 M N 0.966 120.602 119.600 0.059 0.000 2.132 267 M HA -0.033 4.437 4.480 -0.017 0.000 0.263 267 M C 2.533 178.850 176.300 0.027 0.000 1.065 267 M CA 1.412 56.737 55.300 0.042 0.000 1.122 267 M CB -0.241 32.383 32.600 0.041 0.000 1.365 267 M HN 0.193 nan 8.290 nan 0.000 0.411 268 R N -0.419 120.096 120.500 0.025 0.000 2.096 268 R HA -0.081 4.249 4.340 -0.017 0.000 0.235 268 R C 1.295 177.606 176.300 0.019 0.000 1.127 268 R CA 1.236 57.346 56.100 0.017 0.000 0.968 268 R CB -0.232 30.077 30.300 0.015 0.000 0.861 268 R HN 0.701 nan 8.270 nan 0.000 0.440 269 G N 0.181 108.998 108.800 0.027 0.000 2.151 269 G HA2 -0.142 3.808 3.960 -0.017 0.000 0.140 269 G HA3 -0.142 3.808 3.960 -0.017 0.000 0.140 269 G C -0.065 174.852 174.900 0.029 0.000 1.020 269 G CA -0.605 44.511 45.100 0.027 0.000 0.688 269 G HN 0.136 nan 8.290 nan 0.000 0.500 270 I N 0.579 121.169 120.570 0.033 0.000 2.354 270 I HA 0.569 4.728 4.170 -0.017 0.000 0.292 270 I C 1.781 177.922 176.117 0.040 0.000 0.989 270 I CA -0.698 60.621 61.300 0.032 0.000 1.188 270 I CB 1.632 39.647 38.000 0.025 0.000 1.342 270 I HN 0.099 nan 8.210 nan 0.000 0.457 271 V N 2.713 122.650 119.914 0.039 0.000 0.473 271 V HA -0.403 3.706 4.120 -0.017 0.000 0.092 271 V C 0.788 176.913 176.094 0.051 0.000 2.433 271 V CA 1.597 63.922 62.300 0.042 0.000 3.661 271 V CB -1.733 30.110 31.823 0.034 0.000 0.941 271 V HN 1.018 nan 8.190 nan 0.000 0.987 272 K N -0.146 120.291 120.400 0.060 0.000 5.420 272 K HA -0.123 4.187 4.320 -0.017 0.000 0.407 272 K C -0.431 176.194 176.600 0.042 0.000 1.074 272 K CA 0.546 56.874 56.287 0.069 0.000 1.247 272 K CB -0.715 31.820 32.500 0.058 0.000 1.725 272 K HN 0.736 nan 8.250 nan 0.000 0.408 273 V N 0.106 120.037 119.914 0.027 0.000 3.211 273 V HA 0.916 5.026 4.120 -0.017 0.000 0.319 273 V C 0.329 176.209 176.094 -0.358 0.000 1.096 273 V CA -0.447 61.793 62.300 -0.100 0.000 1.029 273 V CB 1.916 33.687 31.823 -0.087 0.000 1.137 273 V HN 0.686 nan 8.190 nan 0.000 0.453 274 A N 0.427 122.944 122.820 -0.506 0.000 2.488 274 A HA 0.860 5.170 4.320 -0.017 0.000 0.295 274 A C -0.665 176.596 177.584 -0.539 0.000 1.045 274 A CA -0.090 51.471 52.037 -0.792 0.000 0.703 274 A CB 1.506 20.319 19.000 -0.313 0.000 1.271 274 A HN 1.723 nan 8.150 nan 0.000 0.400 275 A N 1.754 124.227 122.820 -0.579 0.000 2.285 275 A HA 0.709 5.019 4.320 -0.017 0.000 0.310 275 A C -0.192 177.429 177.584 0.062 0.000 1.266 275 A CA -0.178 51.782 52.037 -0.129 0.000 0.832 275 A CB 0.386 19.392 19.000 0.010 0.000 1.163 275 A HN 2.155 nan 8.150 nan 0.000 0.499 276 V N 0.191 120.157 119.914 0.088 0.000 2.735 276 V HA 0.601 4.711 4.120 -0.017 0.000 0.310 276 V C -0.319 175.874 176.094 0.164 0.000 1.061 276 V CA -1.253 61.147 62.300 0.166 0.000 0.913 276 V CB 1.441 33.406 31.823 0.236 0.000 1.005 276 V HN 0.759 nan 8.190 nan 0.000 0.428 277 K N 2.595 123.100 120.400 0.174 0.000 2.326 277 K HA 0.597 4.906 4.320 -0.017 0.000 0.275 277 K C 0.503 177.151 176.600 0.081 0.000 1.018 277 K CA 0.289 56.648 56.287 0.122 0.000 0.962 277 K CB 1.109 33.679 32.500 0.117 0.000 0.953 277 K HN 1.097 nan 8.250 nan 0.000 0.475 278 A N 5.072 127.890 122.820 -0.003 0.000 2.546 278 A HA 0.134 4.444 4.320 -0.017 0.000 0.243 278 A C -1.992 175.523 177.584 -0.115 0.000 1.063 278 A CA -1.000 50.969 52.037 -0.113 0.000 0.757 278 A CB -0.494 18.464 19.000 -0.069 0.000 0.991 278 A HN 0.450 nan 8.150 nan 0.000 0.503 279 P HA 0.375 nan 4.420 nan 0.000 0.271 279 P C 0.787 178.066 177.300 -0.035 0.000 1.216 279 P CA 1.428 64.429 63.100 -0.165 0.000 0.776 279 P CB 0.680 32.142 31.700 -0.396 0.000 0.881 280 G N 2.272 111.119 108.800 0.078 0.000 2.645 280 G HA2 -0.061 3.888 3.960 -0.017 0.000 0.246 280 G HA3 -0.061 3.888 3.960 -0.017 0.000 0.246 280 G C -0.872 174.163 174.900 0.224 0.000 1.322 280 G CA 0.066 45.234 45.100 0.112 0.000 0.898 280 G HN 0.745 nan 8.290 nan 0.000 0.573 281 F N -2.636 117.326 119.950 0.020 0.000 2.665 281 F HA 0.740 5.257 4.527 -0.017 0.000 0.308 281 F C 0.845 176.657 175.800 0.020 0.000 1.112 281 F CA 0.306 58.316 58.000 0.016 0.000 0.972 281 F CB 1.116 40.127 39.000 0.019 0.000 1.295 281 F HN 2.461 nan 8.300 nan 0.000 0.440 282 G N 2.285 111.178 108.800 0.155 0.000 2.514 282 G HA2 -0.328 3.622 3.960 -0.017 0.000 0.265 282 G HA3 -0.328 3.622 3.960 -0.017 0.000 0.265 282 G C 0.184 175.084 174.900 -0.001 0.000 1.150 282 G CA 0.702 45.848 45.100 0.078 0.000 0.959 282 G HN 0.832 nan 8.290 nan 0.000 0.556 283 D N 0.898 121.284 120.400 -0.024 0.000 2.144 283 D HA -0.020 4.610 4.640 -0.017 0.000 0.199 283 D C 2.501 178.780 176.300 -0.035 0.000 0.984 283 D CA 1.703 55.691 54.000 -0.020 0.000 0.834 283 D CB -0.175 40.621 40.800 -0.008 0.000 0.955 283 D HN 0.680 nan 8.370 nan 0.000 0.465 284 R N 0.537 120.996 120.500 -0.068 0.000 2.313 284 R HA 0.147 4.477 4.340 -0.017 0.000 0.199 284 R C 1.884 178.134 176.300 -0.082 0.000 0.958 284 R CA 0.166 56.221 56.100 -0.076 0.000 1.047 284 R CB -0.053 30.195 30.300 -0.088 0.000 0.955 284 R HN 0.063 nan 8.270 nan 0.000 0.481 285 R N 1.864 122.322 120.500 -0.070 0.000 2.073 285 R HA -0.086 4.244 4.340 -0.017 0.000 0.234 285 R C 1.477 177.747 176.300 -0.050 0.000 1.134 285 R CA 1.647 57.718 56.100 -0.049 0.000 0.952 285 R CB -0.069 30.227 30.300 -0.006 0.000 0.850 285 R HN 0.197 nan 8.270 nan 0.000 0.433 286 K N -0.018 120.360 120.400 -0.037 0.000 2.059 286 K HA -0.185 4.124 4.320 -0.017 0.000 0.212 286 K C 2.081 178.656 176.600 -0.041 0.000 1.050 286 K CA 1.822 58.089 56.287 -0.033 0.000 0.927 286 K CB -0.211 32.276 32.500 -0.023 0.000 0.714 286 K HN 0.322 nan 8.250 nan 0.000 0.447 287 A N 0.806 123.598 122.820 -0.046 0.000 1.929 287 A HA -0.076 4.234 4.320 -0.017 0.000 0.216 287 A C 2.029 179.578 177.584 -0.059 0.000 1.176 287 A CA 1.126 53.135 52.037 -0.048 0.000 0.628 287 A CB -0.265 18.707 19.000 -0.048 0.000 0.816 287 A HN 0.175 nan 8.150 nan 0.000 0.444 288 M N -0.919 118.636 119.600 -0.075 0.000 2.419 288 M HA 0.052 4.522 4.480 -0.017 0.000 0.264 288 M C 1.925 178.150 176.300 -0.125 0.000 1.082 288 M CA 0.849 56.090 55.300 -0.098 0.000 1.119 288 M CB -0.331 32.201 32.600 -0.114 0.000 1.398 288 M HN 0.387 nan 8.290 nan 0.000 0.453 289 L N -0.301 120.857 121.223 -0.109 0.000 2.109 289 L HA -0.188 4.142 4.340 -0.017 0.000 0.207 289 L C 2.529 179.360 176.870 -0.065 0.000 1.086 289 L CA 1.045 55.825 54.840 -0.100 0.000 0.760 289 L CB -0.288 41.724 42.059 -0.078 0.000 0.910 289 L HN 0.237 nan 8.230 nan 0.000 0.437 290 Q N 0.029 119.799 119.800 -0.051 0.000 2.167 290 Q HA -0.203 4.127 4.340 -0.017 0.000 0.202 290 Q C 1.577 177.558 176.000 -0.032 0.000 0.970 290 Q CA 1.497 57.279 55.803 -0.035 0.000 0.855 290 Q CB -0.030 28.690 28.738 -0.030 0.000 0.911 290 Q HN 0.350 nan 8.270 nan 0.000 0.438 291 D N -0.521 119.854 120.400 -0.040 0.000 2.117 291 D HA -0.128 4.502 4.640 -0.017 0.000 0.197 291 D C 1.593 177.880 176.300 -0.021 0.000 0.987 291 D CA 1.201 55.182 54.000 -0.031 0.000 0.829 291 D CB -0.058 40.720 40.800 -0.036 0.000 0.961 291 D HN 0.360 nan 8.370 nan 0.000 0.460 292 I N 0.599 121.149 120.570 -0.033 0.000 2.353 292 I HA -0.187 3.973 4.170 -0.017 0.000 0.248 292 I C 2.406 178.521 176.117 -0.004 0.000 1.119 292 I CA 0.802 62.094 61.300 -0.014 0.000 1.417 292 I CB -0.253 37.726 38.000 -0.036 0.000 1.078 292 I HN -0.075 nan 8.210 nan 0.000 0.421 293 A N 0.936 123.748 122.820 -0.013 0.000 1.908 293 A HA -0.210 4.100 4.320 -0.017 0.000 0.218 293 A C 2.394 179.979 177.584 0.000 0.000 1.181 293 A CA 2.591 54.625 52.037 -0.004 0.000 0.627 293 A CB -1.146 17.848 19.000 -0.010 0.000 0.818 293 A HN 0.435 nan 8.150 nan 0.000 0.445 294 T N 0.035 114.587 114.554 -0.004 0.000 2.904 294 T HA -0.011 4.328 4.350 -0.017 0.000 0.267 294 T C 1.791 176.492 174.700 0.002 0.000 1.059 294 T CA 0.979 63.078 62.100 -0.002 0.000 1.137 294 T CB -0.190 68.674 68.868 -0.006 0.000 0.879 294 T HN 0.281 nan 8.240 nan 0.000 0.467 295 L N 2.278 123.504 121.223 0.005 0.000 2.109 295 L HA -0.011 4.319 4.340 -0.017 0.000 0.207 295 L C 2.044 178.921 176.870 0.012 0.000 1.086 295 L CA 1.945 56.791 54.840 0.009 0.000 0.760 295 L CB -1.043 41.026 42.059 0.016 0.000 0.910 295 L HN 0.429 nan 8.230 nan 0.000 0.437 296 T N -4.553 110.010 114.554 0.015 0.000 3.092 296 T HA 0.313 4.653 4.350 -0.017 0.000 0.258 296 T C 1.277 175.988 174.700 0.019 0.000 1.031 296 T CA 0.349 62.459 62.100 0.017 0.000 0.925 296 T CB 0.337 69.220 68.868 0.026 0.000 1.036 296 T HN 0.462 nan 8.240 nan 0.000 0.544 297 G N 0.738 109.547 108.800 0.015 0.000 2.155 297 G HA2 -0.111 3.838 3.960 -0.017 0.000 0.257 297 G HA3 -0.111 3.838 3.960 -0.017 0.000 0.257 297 G C 0.503 175.415 174.900 0.020 0.000 0.983 297 G CA -0.100 45.009 45.100 0.015 0.000 0.676 297 G HN 1.020 nan 8.290 nan 0.000 0.528 298 G N -1.307 107.506 108.800 0.022 0.000 2.543 298 G HA2 0.673 4.622 3.960 -0.017 0.000 0.290 298 G HA3 0.673 4.622 3.960 -0.017 0.000 0.290 298 G C -0.129 174.778 174.900 0.013 0.000 1.310 298 G CA 0.517 45.632 45.100 0.025 0.000 1.025 298 G HN 0.768 nan 8.290 nan 0.000 0.502 299 T N -0.713 113.848 114.554 0.011 0.000 2.876 299 T HA 0.447 4.787 4.350 -0.017 0.000 0.289 299 T C -0.424 174.275 174.700 -0.001 0.000 1.014 299 T CA -0.417 61.685 62.100 0.003 0.000 0.986 299 T CB 1.987 70.856 68.868 0.002 0.000 1.021 299 T HN 0.309 nan 8.240 nan 0.000 0.458 300 V N 3.673 123.583 119.914 -0.006 0.000 2.432 300 V HA 0.324 4.434 4.120 -0.017 0.000 0.271 300 V C 0.165 176.254 176.094 -0.009 0.000 1.046 300 V CA -0.580 61.714 62.300 -0.010 0.000 0.945 300 V CB 0.415 32.228 31.823 -0.016 0.000 0.992 300 V HN 0.742 nan 8.190 nan 0.000 0.471 301 I N 5.599 126.164 120.570 -0.008 0.000 2.352 301 I HA 0.398 4.558 4.170 -0.017 0.000 0.290 301 I C 0.441 176.553 176.117 -0.008 0.000 1.036 301 I CA 0.459 61.755 61.300 -0.008 0.000 1.336 301 I CB 1.134 39.130 38.000 -0.008 0.000 1.407 301 I HN 0.763 nan 8.210 nan 0.000 0.497 302 S N 3.220 118.916 115.700 -0.007 0.000 2.569 302 S HA 0.432 4.892 4.470 -0.017 0.000 0.280 302 S C 0.246 174.844 174.600 -0.004 0.000 1.111 302 S CA -0.892 57.304 58.200 -0.005 0.000 0.887 302 S CB 2.079 65.276 63.200 -0.006 0.000 1.095 302 S HN 0.620 nan 8.310 nan 0.000 0.476 303 E N 0.810 121.009 120.200 -0.002 0.000 2.112 303 E HA -0.066 4.274 4.350 -0.017 0.000 0.190 303 E C 1.189 177.788 176.600 -0.001 0.000 0.979 303 E CA 0.763 57.162 56.400 -0.001 0.000 0.814 303 E CB -0.043 29.657 29.700 0.000 0.000 0.762 303 E HN 0.764 nan 8.360 nan 0.000 0.460 304 E N 0.222 120.422 120.200 -0.001 0.000 2.409 304 E HA -0.106 4.234 4.350 -0.017 0.000 0.198 304 E C 1.687 178.286 176.600 -0.002 0.000 1.024 304 E CA 0.482 56.882 56.400 -0.001 0.000 0.861 304 E CB 0.163 29.863 29.700 -0.001 0.000 0.788 304 E HN 0.334 nan 8.360 nan 0.000 0.521 305 I N -1.432 119.136 120.570 -0.003 0.000 2.729 305 I HA 0.119 4.279 4.170 -0.017 0.000 0.256 305 I C 1.445 177.560 176.117 -0.003 0.000 1.115 305 I CA 0.670 61.968 61.300 -0.003 0.000 1.446 305 I CB 0.676 38.674 38.000 -0.004 0.000 1.176 305 I HN 0.139 nan 8.210 nan 0.000 0.446 306 G N 0.953 109.751 108.800 -0.003 0.000 2.363 306 G HA2 -0.026 3.924 3.960 -0.017 0.000 0.213 306 G HA3 -0.026 3.924 3.960 -0.017 0.000 0.213 306 G C -0.094 174.804 174.900 -0.004 0.000 1.028 306 G CA -0.633 44.465 45.100 -0.003 0.000 0.822 306 G HN 0.022 nan 8.290 nan 0.000 0.536 307 M N 0.408 120.006 119.600 -0.004 0.000 2.537 307 M HA 0.685 5.154 4.480 -0.017 0.000 0.324 307 M C 0.033 176.330 176.300 -0.005 0.000 1.187 307 M CA -0.359 54.938 55.300 -0.005 0.000 0.993 307 M CB 1.908 34.505 32.600 -0.006 0.000 1.666 307 M HN 0.176 nan 8.290 nan 0.000 0.461 308 E N 0.638 120.834 120.200 -0.006 0.000 2.433 308 E HA 0.356 4.695 4.350 -0.017 0.000 0.273 308 E C -0.026 176.569 176.600 -0.009 0.000 0.950 308 E CA -0.655 55.741 56.400 -0.006 0.000 0.796 308 E CB 2.205 31.901 29.700 -0.006 0.000 1.330 308 E HN 0.606 nan 8.360 nan 0.000 0.455 309 L N 0.799 122.017 121.223 -0.009 0.000 2.217 309 L HA -0.080 4.250 4.340 -0.017 0.000 0.211 309 L C 1.688 178.549 176.870 -0.015 0.000 1.107 309 L CA 1.023 55.856 54.840 -0.012 0.000 0.783 309 L CB -0.186 41.867 42.059 -0.010 0.000 0.919 309 L HN 0.569 nan 8.230 nan 0.000 0.442 310 E N 0.542 120.734 120.200 -0.013 0.000 2.204 310 E HA -0.140 4.200 4.350 -0.017 0.000 0.195 310 E C 0.677 177.267 176.600 -0.017 0.000 0.990 310 E CA 0.925 57.316 56.400 -0.015 0.000 0.821 310 E CB 0.111 29.804 29.700 -0.012 0.000 0.750 310 E HN 0.317 nan 8.360 nan 0.000 0.477 311 K N 0.341 120.732 120.400 -0.016 0.000 3.016 311 K HA 0.518 4.828 4.320 -0.017 0.000 0.226 311 K C -0.961 175.629 176.600 -0.018 0.000 1.245 311 K CA -0.228 56.050 56.287 -0.016 0.000 1.174 311 K CB 1.224 33.717 32.500 -0.012 0.000 1.572 311 K HN -0.035 nan 8.250 nan 0.000 0.462 312 A N -0.011 122.795 122.820 -0.024 0.000 2.532 312 A HA 0.439 4.749 4.320 -0.017 0.000 0.296 312 A C -0.007 177.551 177.584 -0.044 0.000 1.058 312 A CA -0.590 51.430 52.037 -0.028 0.000 0.729 312 A CB 1.417 20.403 19.000 -0.023 0.000 1.285 312 A HN 0.150 nan 8.150 nan 0.000 0.396 313 T N 1.393 115.915 114.554 -0.053 0.000 3.272 313 T HA 0.317 4.657 4.350 -0.017 0.000 0.247 313 T C 1.220 175.843 174.700 -0.128 0.000 0.990 313 T CA 1.187 63.237 62.100 -0.084 0.000 1.213 313 T CB -0.172 68.653 68.868 -0.071 0.000 1.124 313 T HN 0.420 nan 8.240 nan 0.000 0.401 314 L N -0.354 120.809 121.223 -0.100 0.000 2.598 314 L HA 0.425 4.755 4.340 -0.017 0.000 0.205 314 L C 2.196 179.062 176.870 -0.008 0.000 1.054 314 L CA 0.193 54.961 54.840 -0.120 0.000 0.934 314 L CB 0.288 42.272 42.059 -0.124 0.000 1.704 314 L HN 0.110 nan 8.230 nan 0.000 0.491 315 E N 0.800 121.006 120.200 0.009 0.000 2.285 315 E HA -0.175 4.165 4.350 -0.017 0.000 0.194 315 E C 0.759 177.374 176.600 0.025 0.000 0.997 315 E CA 0.960 57.380 56.400 0.033 0.000 0.845 315 E CB 0.275 29.989 29.700 0.024 0.000 0.782 315 E HN 0.387 nan 8.360 nan 0.000 0.491 316 D N -0.039 120.366 120.400 0.008 0.000 2.350 316 D HA -0.033 4.597 4.640 -0.017 0.000 0.216 316 D C -0.367 175.942 176.300 0.015 0.000 0.968 316 D CA 0.592 54.595 54.000 0.005 0.000 0.894 316 D CB 0.134 40.929 40.800 -0.008 0.000 0.909 316 D HN 0.080 nan 8.370 nan 0.000 0.520 317 L N -0.101 121.141 121.223 0.031 0.000 2.325 317 L HA 0.536 4.866 4.340 -0.017 0.000 0.278 317 L C 1.115 178.046 176.870 0.102 0.000 1.023 317 L CA -0.704 54.173 54.840 0.062 0.000 0.811 317 L CB 1.806 43.905 42.059 0.066 0.000 1.249 317 L HN -0.133 nan 8.230 nan 0.000 0.431 318 G N 1.091 109.944 108.800 0.090 0.000 2.580 318 G HA2 0.595 4.545 3.960 -0.017 0.000 0.278 318 G HA3 0.595 4.545 3.960 -0.017 0.000 0.278 318 G C -0.941 174.017 174.900 0.097 0.000 1.212 318 G CA -0.310 44.837 45.100 0.078 0.000 0.939 318 G HN 0.542 nan 8.290 nan 0.000 0.513 319 Q N -1.236 118.590 119.800 0.043 0.000 2.345 319 Q HA 0.593 4.923 4.340 -0.017 0.000 0.275 319 Q C -0.528 175.455 176.000 -0.029 0.000 1.063 319 Q CA -0.795 54.998 55.803 -0.017 0.000 0.819 319 Q CB 2.521 31.216 28.738 -0.071 0.000 1.356 319 Q HN 0.775 nan 8.270 nan 0.000 0.418 320 A N 1.107 123.897 122.820 -0.050 0.000 2.414 320 A HA 0.619 4.929 4.320 -0.017 0.000 0.278 320 A C -0.373 177.173 177.584 -0.064 0.000 1.228 320 A CA -0.521 51.493 52.037 -0.038 0.000 0.857 320 A CB 1.302 20.295 19.000 -0.013 0.000 1.389 320 A HN 0.703 nan 8.150 nan 0.000 0.452 321 K N -0.865 119.508 120.400 -0.045 0.000 2.402 321 K HA 0.302 4.611 4.320 -0.017 0.000 0.204 321 K C -0.185 176.392 176.600 -0.038 0.000 1.056 321 K CA 0.259 56.516 56.287 -0.050 0.000 1.069 321 K CB 0.646 33.121 32.500 -0.041 0.000 0.888 321 K HN 0.549 nan 8.250 nan 0.000 0.546 322 R N 0.337 120.820 120.500 -0.028 0.000 3.964 322 R HA 0.077 4.407 4.340 -0.017 0.000 0.244 322 R C -2.031 174.263 176.300 -0.010 0.000 1.004 322 R CA -0.445 55.643 56.100 -0.019 0.000 1.148 322 R CB 1.158 31.449 30.300 -0.015 0.000 1.234 322 R HN -0.029 nan 8.270 nan 0.000 0.567 323 V N 0.459 120.370 119.914 -0.005 0.000 2.789 323 V HA 0.845 4.955 4.120 -0.017 0.000 0.311 323 V C -0.799 175.295 176.094 0.000 0.000 1.073 323 V CA -0.791 61.508 62.300 -0.001 0.000 0.921 323 V CB 2.102 33.931 31.823 0.009 0.000 1.009 323 V HN 0.368 nan 8.190 nan 0.000 0.426 324 V N 5.013 124.920 119.914 -0.011 0.000 2.495 324 V HA 0.605 4.715 4.120 -0.017 0.000 0.298 324 V C -0.401 175.684 176.094 -0.016 0.000 1.031 324 V CA -0.343 61.956 62.300 -0.002 0.000 0.871 324 V CB 1.645 33.465 31.823 -0.004 0.000 0.988 324 V HN 0.840 nan 8.190 nan 0.000 0.432 325 I N 4.894 125.486 120.570 0.037 0.000 2.439 325 I HA 0.446 4.606 4.170 -0.017 0.000 0.283 325 I C 0.026 176.223 176.117 0.134 0.000 1.023 325 I CA -0.166 61.168 61.300 0.057 0.000 1.100 325 I CB 1.288 39.373 38.000 0.141 0.000 1.238 325 I HN 0.586 nan 8.210 nan 0.000 0.445 326 N N 4.807 123.506 118.700 -0.002 0.000 2.518 326 N HA 0.269 4.999 4.740 -0.017 0.000 0.284 326 N C 0.842 176.144 175.510 -0.348 0.000 1.230 326 N CA -0.765 52.279 53.050 -0.010 0.000 0.941 326 N CB 1.959 40.438 38.487 -0.012 0.000 1.219 326 N HN 0.529 nan 8.380 nan 0.000 0.560 327 K N 0.326 120.525 120.400 -0.335 0.000 2.089 327 K HA -0.209 4.100 4.320 -0.017 0.000 0.210 327 K C -0.380 175.952 176.600 -0.447 0.000 1.048 327 K CA 2.165 58.104 56.287 -0.580 0.000 0.926 327 K CB -0.082 32.338 32.500 -0.133 0.000 0.714 327 K HN 0.605 nan 8.250 nan 0.000 0.448 328 D N -0.479 119.777 120.400 -0.240 0.000 2.908 328 D HA 0.137 4.767 4.640 -0.017 0.000 0.361 328 D C -1.127 175.092 176.300 -0.134 0.000 1.416 328 D CA -0.492 53.416 54.000 -0.154 0.000 0.796 328 D CB 0.833 41.589 40.800 -0.074 0.000 1.185 328 D HN -0.044 nan 8.370 nan 0.000 0.451 329 T N -1.522 112.916 114.554 -0.194 0.000 2.942 329 T HA 0.669 5.009 4.350 -0.017 0.000 0.327 329 T C -0.838 173.677 174.700 -0.308 0.000 1.360 329 T CA -0.712 61.258 62.100 -0.217 0.000 1.055 329 T CB 2.085 70.869 68.868 -0.140 0.000 1.261 329 T HN -0.082 nan 8.240 nan 0.000 0.485 330 T N 1.721 115.965 114.554 -0.517 0.000 3.143 330 T HA 0.594 4.934 4.350 -0.017 0.000 0.312 330 T C -0.835 173.547 174.700 -0.531 0.000 0.986 330 T CA -0.600 61.154 62.100 -0.577 0.000 1.024 330 T CB 1.723 70.044 68.868 -0.911 0.000 1.030 330 T HN 0.791 nan 8.240 nan 0.000 0.448 331 T N 4.047 118.456 114.554 -0.241 0.000 2.791 331 T HA 0.619 4.959 4.350 -0.017 0.000 0.288 331 T C -0.230 174.441 174.700 -0.049 0.000 0.999 331 T CA -0.653 61.370 62.100 -0.129 0.000 0.952 331 T CB -0.122 68.694 68.868 -0.087 0.000 0.938 331 T HN 0.482 nan 8.240 nan 0.000 0.444 332 I N 6.556 127.128 120.570 0.004 0.000 2.352 332 I HA 0.394 4.554 4.170 -0.017 0.000 0.290 332 I C 0.032 176.159 176.117 0.016 0.000 1.036 332 I CA -0.456 60.864 61.300 0.032 0.000 1.336 332 I CB 0.786 38.833 38.000 0.078 0.000 1.407 332 I HN 0.512 nan 8.210 nan 0.000 0.497 333 I N 5.319 125.891 120.570 0.005 0.000 2.441 333 I HA 0.251 4.411 4.170 -0.017 0.000 0.295 333 I C 0.037 176.152 176.117 -0.004 0.000 0.994 333 I CA -0.586 60.713 61.300 -0.001 0.000 1.144 333 I CB 1.359 39.354 38.000 -0.007 0.000 1.314 333 I HN 0.571 nan 8.210 nan 0.000 0.445 334 D N 4.713 125.111 120.400 -0.004 0.000 2.735 334 D HA -0.139 4.491 4.640 -0.017 0.000 0.235 334 D C 0.323 176.618 176.300 -0.009 0.000 1.175 334 D CA 0.837 54.833 54.000 -0.007 0.000 0.683 334 D CB -0.419 40.374 40.800 -0.012 0.000 1.008 334 D HN 0.865 nan 8.370 nan 0.000 0.416 335 G N 0.498 109.297 108.800 -0.001 0.000 2.360 335 G HA2 0.378 4.328 3.960 -0.017 0.000 0.279 335 G HA3 0.378 4.328 3.960 -0.017 0.000 0.279 335 G C 0.645 175.544 174.900 -0.003 0.000 1.189 335 G CA -0.464 44.636 45.100 0.000 0.000 0.941 335 G HN 0.300 nan 8.290 nan 0.000 0.445 336 V N 2.954 122.862 119.914 -0.009 0.000 2.441 336 V HA 0.325 4.435 4.120 -0.017 0.000 0.279 336 V C 1.237 177.331 176.094 -0.000 0.000 0.990 336 V CA 0.644 62.939 62.300 -0.008 0.000 1.116 336 V CB -0.140 31.674 31.823 -0.015 0.000 0.977 336 V HN 0.811 nan 8.190 nan 0.000 0.470 337 G N 4.077 112.877 108.800 0.000 0.000 2.482 337 G HA2 0.575 4.525 3.960 -0.017 0.000 0.317 337 G HA3 0.575 4.525 3.960 -0.017 0.000 0.317 337 G C -0.552 174.349 174.900 0.002 0.000 1.241 337 G CA -0.722 44.380 45.100 0.003 0.000 0.967 337 G HN 0.612 nan 8.290 nan 0.000 0.482 338 E N 1.779 121.981 120.200 0.003 0.000 2.366 338 E HA 0.031 4.371 4.350 -0.017 0.000 0.266 338 E C -0.161 176.439 176.600 0.000 0.000 1.015 338 E CA -0.117 56.285 56.400 0.002 0.000 0.906 338 E CB 1.560 31.262 29.700 0.003 0.000 0.979 338 E HN 0.432 nan 8.360 nan 0.000 0.443 339 E N 1.360 121.560 120.200 -0.000 0.000 2.382 339 E HA 0.037 4.376 4.350 -0.017 0.000 0.190 339 E C 0.580 177.180 176.600 -0.001 0.000 1.125 339 E CA 0.034 56.433 56.400 -0.001 0.000 0.929 339 E CB 0.216 29.915 29.700 -0.001 0.000 1.053 339 E HN 0.553 nan 8.360 nan 0.000 0.475 340 A N -0.741 122.078 122.820 -0.001 0.000 2.653 340 A HA 0.524 4.834 4.320 -0.017 0.000 0.248 340 A C 1.591 179.173 177.584 -0.002 0.000 1.211 340 A CA 0.500 52.536 52.037 -0.002 0.000 0.991 340 A CB 0.604 19.603 19.000 -0.001 0.000 1.252 340 A HN 0.177 nan 8.150 nan 0.000 0.593 341 A N -0.026 122.793 122.820 -0.002 0.000 2.013 341 A HA 0.359 4.669 4.320 -0.017 0.000 0.204 341 A C 1.707 179.289 177.584 -0.003 0.000 1.262 341 A CA 0.838 52.873 52.037 -0.002 0.000 0.800 341 A CB -0.333 18.667 19.000 -0.001 0.000 0.909 341 A HN 0.315 nan 8.150 nan 0.000 0.472 342 I N -0.257 120.311 120.570 -0.003 0.000 2.202 342 I HA -0.250 3.910 4.170 -0.017 0.000 0.242 342 I C 2.649 178.763 176.117 -0.004 0.000 1.091 342 I CA 1.730 63.029 61.300 -0.003 0.000 1.368 342 I CB -0.294 37.705 38.000 -0.002 0.000 1.058 342 I HN 0.403 nan 8.210 nan 0.000 0.410 343 Q N 1.166 120.964 119.800 -0.004 0.000 2.084 343 Q HA -0.146 4.184 4.340 -0.017 0.000 0.202 343 Q C 2.207 178.203 176.000 -0.006 0.000 0.978 343 Q CA 2.056 57.856 55.803 -0.005 0.000 0.844 343 Q CB -0.344 28.391 28.738 -0.004 0.000 0.898 343 Q HN 0.522 nan 8.270 nan 0.000 0.426 344 G N -0.283 108.513 108.800 -0.005 0.000 2.448 344 G HA2 -0.246 3.704 3.960 -0.017 0.000 0.218 344 G HA3 -0.246 3.704 3.960 -0.017 0.000 0.218 344 G C 1.489 176.384 174.900 -0.008 0.000 1.135 344 G CA 0.615 45.711 45.100 -0.006 0.000 0.784 344 G HN 0.215 nan 8.290 nan 0.000 0.543 345 R N 0.406 120.901 120.500 -0.008 0.000 2.092 345 R HA 0.026 4.356 4.340 -0.017 0.000 0.231 345 R C 2.549 178.841 176.300 -0.013 0.000 1.119 345 R CA 1.204 57.298 56.100 -0.011 0.000 0.970 345 R CB -0.850 29.443 30.300 -0.010 0.000 0.864 345 R HN 0.172 nan 8.270 nan 0.000 0.440 346 V N 0.958 120.866 119.914 -0.011 0.000 2.324 346 V HA -0.309 3.801 4.120 -0.017 0.000 0.250 346 V C 2.358 178.444 176.094 -0.013 0.000 1.060 346 V CA 2.126 64.418 62.300 -0.012 0.000 1.042 346 V CB -1.077 30.740 31.823 -0.010 0.000 0.650 346 V HN 0.554 nan 8.190 nan 0.000 0.450 347 A N -1.235 121.578 122.820 -0.011 0.000 1.877 347 A HA -0.274 4.035 4.320 -0.017 0.000 0.216 347 A C 2.206 179.782 177.584 -0.013 0.000 1.186 347 A CA 1.914 53.944 52.037 -0.011 0.000 0.620 347 A CB -0.538 18.456 19.000 -0.009 0.000 0.822 347 A HN 0.594 nan 8.150 nan 0.000 0.443 348 Q N -0.644 119.148 119.800 -0.013 0.000 2.061 348 Q HA -0.178 4.151 4.340 -0.017 0.000 0.204 348 Q C 2.087 178.075 176.000 -0.019 0.000 0.984 348 Q CA 1.814 57.608 55.803 -0.015 0.000 0.846 348 Q CB -0.346 28.384 28.738 -0.014 0.000 0.902 348 Q HN 0.785 nan 8.270 nan 0.000 0.421 349 I N -0.278 120.279 120.570 -0.021 0.000 2.315 349 I HA -0.220 3.940 4.170 -0.017 0.000 0.248 349 I C 2.368 178.469 176.117 -0.027 0.000 1.117 349 I CA 0.872 62.156 61.300 -0.028 0.000 1.404 349 I CB -0.185 37.797 38.000 -0.031 0.000 1.071 349 I HN 0.039 nan 8.210 nan 0.000 0.419 350 R N 0.475 120.961 120.500 -0.022 0.000 2.307 350 R HA -0.082 4.248 4.340 -0.017 0.000 0.199 350 R C 2.186 178.475 176.300 -0.018 0.000 1.000 350 R CA 0.428 56.515 56.100 -0.021 0.000 1.023 350 R CB 0.032 30.322 30.300 -0.017 0.000 0.908 350 R HN 0.320 nan 8.270 nan 0.000 0.473 351 Q N 0.059 119.849 119.800 -0.017 0.000 2.331 351 Q HA -0.065 4.265 4.340 -0.017 0.000 0.203 351 Q C 0.783 176.773 176.000 -0.015 0.000 0.944 351 Q CA 1.166 56.960 55.803 -0.014 0.000 0.892 351 Q CB 0.558 29.288 28.738 -0.012 0.000 0.983 351 Q HN 0.459 nan 8.270 nan 0.000 0.482 352 Q N -0.611 119.177 119.800 -0.020 0.000 2.219 352 Q HA 0.212 4.542 4.340 -0.017 0.000 0.209 352 Q C 1.545 177.529 176.000 -0.027 0.000 0.854 352 Q CA -0.214 55.577 55.803 -0.021 0.000 0.960 352 Q CB 0.719 29.443 28.738 -0.023 0.000 1.116 352 Q HN 0.313 nan 8.270 nan 0.000 0.500 353 I N 0.508 121.062 120.570 -0.028 0.000 2.480 353 I HA -0.159 4.001 4.170 -0.017 0.000 0.251 353 I C 1.835 177.940 176.117 -0.020 0.000 1.124 353 I CA 0.796 62.078 61.300 -0.029 0.000 1.444 353 I CB 0.182 38.164 38.000 -0.030 0.000 1.098 353 I HN 0.110 nan 8.210 nan 0.000 0.428 354 E N 0.759 120.949 120.200 -0.016 0.000 2.216 354 E HA -0.009 4.331 4.350 -0.017 0.000 0.192 354 E C 0.492 177.087 176.600 -0.009 0.000 0.988 354 E CA 0.712 57.105 56.400 -0.011 0.000 0.834 354 E CB 0.029 29.723 29.700 -0.010 0.000 0.772 354 E HN 0.463 nan 8.360 nan 0.000 0.479 355 E N 0.099 120.294 120.200 -0.009 0.000 2.683 355 E HA 0.488 4.828 4.350 -0.017 0.000 0.224 355 E C -1.201 175.396 176.600 -0.005 0.000 1.046 355 E CA -0.336 56.061 56.400 -0.006 0.000 0.811 355 E CB 1.163 30.860 29.700 -0.005 0.000 1.296 355 E HN 0.025 nan 8.360 nan 0.000 0.421 356 A N 1.702 124.520 122.820 -0.003 0.000 1.897 356 A HA 0.068 4.377 4.320 -0.017 0.000 0.285 356 A C -0.026 177.562 177.584 0.006 0.000 1.261 356 A CA -0.837 51.202 52.037 0.003 0.000 0.936 356 A CB -0.371 18.628 19.000 -0.001 0.000 1.240 356 A HN 0.270 nan 8.150 nan 0.000 0.434 357 T N -0.509 114.051 114.554 0.010 0.000 3.842 357 T HA 0.536 4.876 4.350 -0.017 0.000 0.267 357 T C 0.216 174.929 174.700 0.021 0.000 1.173 357 T CA 0.383 62.490 62.100 0.012 0.000 1.142 357 T CB -0.222 68.651 68.868 0.009 0.000 1.191 357 T HN 1.288 nan 8.240 nan 0.000 0.895 358 S N 0.583 116.300 115.700 0.027 0.000 2.537 358 S HA 0.326 4.785 4.470 -0.017 0.000 0.270 358 S C 0.232 174.863 174.600 0.051 0.000 1.142 358 S CA -0.761 57.468 58.200 0.048 0.000 0.870 358 S CB 1.590 64.833 63.200 0.073 0.000 1.112 358 S HN 0.440 nan 8.310 nan 0.000 0.466 359 D N 1.579 122.020 120.400 0.067 0.000 2.097 359 D HA -0.086 4.544 4.640 -0.017 0.000 0.197 359 D C 1.362 177.714 176.300 0.088 0.000 0.984 359 D CA 1.486 55.525 54.000 0.064 0.000 0.826 359 D CB -0.237 40.601 40.800 0.064 0.000 0.973 359 D HN 0.686 nan 8.370 nan 0.000 0.460 360 Y N 2.050 122.347 120.300 -0.006 0.000 2.163 360 Y HA -0.152 4.388 4.550 -0.017 0.000 0.288 360 Y C 1.137 177.026 175.900 -0.018 0.000 1.136 360 Y CA 1.482 59.575 58.100 -0.012 0.000 1.147 360 Y CB -0.218 38.235 38.460 -0.013 0.000 0.987 360 Y HN -0.211 nan 8.280 nan 0.000 0.509 361 D N -0.170 120.239 120.400 0.016 0.000 2.407 361 D HA -0.050 4.580 4.640 -0.017 0.000 0.234 361 D C 1.795 178.031 176.300 -0.107 0.000 1.029 361 D CA 0.598 54.551 54.000 -0.078 0.000 0.937 361 D CB -0.026 40.793 40.800 0.032 0.000 0.882 361 D HN 0.363 nan 8.370 nan 0.000 0.531 362 R N -0.400 120.033 120.500 -0.110 0.000 2.306 362 R HA 0.159 4.488 4.340 -0.017 0.000 0.183 362 R C 0.854 177.093 176.300 -0.102 0.000 0.937 362 R CA -0.010 56.041 56.100 -0.082 0.000 1.118 362 R CB 0.570 30.847 30.300 -0.038 0.000 1.224 362 R HN 0.016 nan 8.270 nan 0.000 0.597 363 E N 0.461 120.598 120.200 -0.105 0.000 2.445 363 E HA 0.004 4.344 4.350 -0.017 0.000 0.189 363 E C 0.510 177.031 176.600 -0.133 0.000 1.069 363 E CA 0.284 56.632 56.400 -0.088 0.000 0.871 363 E CB 0.609 30.285 29.700 -0.041 0.000 0.991 363 E HN 0.055 nan 8.360 nan 0.000 0.481 364 K N -0.577 119.683 120.400 -0.233 0.000 2.493 364 K HA 0.162 4.472 4.320 -0.017 0.000 0.201 364 K C 1.795 178.263 176.600 -0.219 0.000 1.355 364 K CA 0.074 56.197 56.287 -0.273 0.000 0.953 364 K CB 0.164 32.344 32.500 -0.534 0.000 1.316 364 K HN 0.083 nan 8.250 nan 0.000 0.522 365 L N 1.701 122.790 121.223 -0.223 0.000 2.376 365 L HA -0.013 4.317 4.340 -0.017 0.000 0.219 365 L C 2.286 179.098 176.870 -0.097 0.000 1.133 365 L CA 0.817 55.568 54.840 -0.147 0.000 0.816 365 L CB -0.165 41.814 42.059 -0.133 0.000 0.933 365 L HN 0.127 nan 8.230 nan 0.000 0.449 366 Q N 0.318 120.062 119.800 -0.093 0.000 2.311 366 Q HA -0.104 4.226 4.340 -0.017 0.000 0.203 366 Q C 1.061 177.030 176.000 -0.052 0.000 0.954 366 Q CA 0.884 56.650 55.803 -0.062 0.000 0.885 366 Q CB 0.227 28.933 28.738 -0.054 0.000 0.963 366 Q HN 0.570 nan 8.270 nan 0.000 0.471 367 E N 0.092 120.255 120.200 -0.062 0.000 2.320 367 E HA 0.038 4.378 4.350 -0.017 0.000 0.189 367 E C 1.087 177.663 176.600 -0.040 0.000 1.100 367 E CA -0.162 56.212 56.400 -0.043 0.000 1.009 367 E CB 0.404 30.080 29.700 -0.040 0.000 1.145 367 E HN 0.132 nan 8.360 nan 0.000 0.454 368 R N -0.471 120.002 120.500 -0.046 0.000 2.225 368 R HA 0.021 4.351 4.340 -0.017 0.000 0.194 368 R C 2.261 178.546 176.300 -0.025 0.000 0.949 368 R CA 0.748 56.825 56.100 -0.038 0.000 1.088 368 R CB 0.221 30.490 30.300 -0.052 0.000 1.106 368 R HN 0.103 nan 8.270 nan 0.000 0.566 369 V N -1.626 118.271 119.914 -0.027 0.000 2.649 369 V HA 0.161 4.271 4.120 -0.017 0.000 0.248 369 V C 2.283 178.369 176.094 -0.014 0.000 1.054 369 V CA 1.441 63.729 62.300 -0.020 0.000 1.073 369 V CB -0.721 31.089 31.823 -0.022 0.000 0.699 369 V HN 0.111 nan 8.190 nan 0.000 0.463 370 A N 0.524 123.335 122.820 -0.015 0.000 2.019 370 A HA -0.141 4.169 4.320 -0.017 0.000 0.219 370 A C 2.342 179.924 177.584 -0.003 0.000 1.164 370 A CA 2.103 54.135 52.037 -0.010 0.000 0.644 370 A CB -0.440 18.553 19.000 -0.012 0.000 0.805 370 A HN 0.611 nan 8.150 nan 0.000 0.449 371 K N -1.438 118.962 120.400 0.001 0.000 2.128 371 K HA 0.127 4.436 4.320 -0.017 0.000 0.202 371 K C 1.817 178.424 176.600 0.012 0.000 1.050 371 K CA 0.752 57.046 56.287 0.012 0.000 0.966 371 K CB -0.173 32.342 32.500 0.025 0.000 0.759 371 K HN 0.335 nan 8.250 nan 0.000 0.454 372 L N 0.638 121.865 121.223 0.006 0.000 2.068 372 L HA 0.008 4.338 4.340 -0.017 0.000 0.204 372 L C 2.032 178.904 176.870 0.002 0.000 1.076 372 L CA 1.545 56.388 54.840 0.005 0.000 0.753 372 L CB -0.306 41.752 42.059 -0.001 0.000 0.910 372 L HN 0.076 nan 8.230 nan 0.000 0.439 373 A N -1.417 121.402 122.820 -0.002 0.000 2.081 373 A HA 0.189 4.498 4.320 -0.017 0.000 0.214 373 A C 2.196 179.778 177.584 -0.003 0.000 1.158 373 A CA 0.777 52.811 52.037 -0.004 0.000 0.724 373 A CB -0.979 18.017 19.000 -0.006 0.000 0.826 373 A HN 0.446 nan 8.150 nan 0.000 0.463 374 G N -0.526 108.272 108.800 -0.002 0.000 2.421 374 G HA2 0.349 4.299 3.960 -0.017 0.000 0.217 374 G HA3 0.349 4.299 3.960 -0.017 0.000 0.217 374 G C 1.172 176.071 174.900 -0.002 0.000 1.143 374 G CA 0.729 45.828 45.100 -0.003 0.000 0.784 374 G HN 1.612 nan 8.290 nan 0.000 0.541 375 G N -1.625 107.176 108.800 0.002 0.000 2.645 375 G HA2 -0.001 3.949 3.960 -0.017 0.000 0.239 375 G HA3 -0.001 3.949 3.960 -0.017 0.000 0.239 375 G C -0.625 174.276 174.900 0.001 0.000 1.331 375 G CA -0.202 44.900 45.100 0.002 0.000 0.890 375 G HN 1.075 nan 8.290 nan 0.000 0.572 376 V N 0.110 120.024 119.914 -0.001 0.000 2.760 376 V HA 0.758 4.867 4.120 -0.017 0.000 0.309 376 V C 0.698 176.788 176.094 -0.007 0.000 1.077 376 V CA -0.070 62.227 62.300 -0.005 0.000 0.910 376 V CB 1.411 33.231 31.823 -0.004 0.000 1.008 376 V HN 2.162 nan 8.190 nan 0.000 0.424 377 A N 3.721 126.535 122.820 -0.010 0.000 2.304 377 A HA 0.841 5.151 4.320 -0.017 0.000 0.301 377 A C -0.627 176.951 177.584 -0.010 0.000 1.132 377 A CA -0.467 51.564 52.037 -0.010 0.000 0.819 377 A CB 1.241 20.235 19.000 -0.011 0.000 1.094 377 A HN 0.759 nan 8.150 nan 0.000 0.492 378 V N 3.143 123.052 119.914 -0.008 0.000 2.444 378 V HA 0.363 4.472 4.120 -0.017 0.000 0.294 378 V C -0.571 175.519 176.094 -0.006 0.000 1.022 378 V CA -0.077 62.218 62.300 -0.008 0.000 0.850 378 V CB 1.198 33.017 31.823 -0.007 0.000 0.992 378 V HN 0.697 nan 8.190 nan 0.000 0.426 379 I N 5.211 125.778 120.570 -0.006 0.000 2.355 379 I HA 0.483 4.643 4.170 -0.017 0.000 0.288 379 I C -0.059 176.056 176.117 -0.003 0.000 0.999 379 I CA -0.518 60.779 61.300 -0.004 0.000 1.163 379 I CB 1.416 39.413 38.000 -0.004 0.000 1.316 379 I HN 0.408 nan 8.210 nan 0.000 0.454 380 K N 5.971 126.369 120.400 -0.003 0.000 2.339 380 K HA 0.584 4.894 4.320 -0.017 0.000 0.264 380 K C -1.063 175.536 176.600 -0.003 0.000 0.986 380 K CA -0.635 55.650 56.287 -0.003 0.000 0.866 380 K CB 2.370 34.867 32.500 -0.004 0.000 1.103 380 K HN 0.324 nan 8.250 nan 0.000 0.441 381 V N 1.436 121.349 119.914 -0.002 0.000 2.427 381 V HA 0.703 4.813 4.120 -0.017 0.000 0.286 381 V C 0.375 176.468 176.094 -0.002 0.000 1.034 381 V CA -0.822 61.477 62.300 -0.002 0.000 0.893 381 V CB 1.573 33.396 31.823 -0.000 0.000 0.982 381 V HN 0.935 nan 8.190 nan 0.000 0.452 382 G N 1.948 110.746 108.800 -0.002 0.000 2.552 382 G HA2 0.675 4.624 3.960 -0.017 0.000 0.288 382 G HA3 0.675 4.624 3.960 -0.017 0.000 0.288 382 G C -0.332 174.566 174.900 -0.003 0.000 1.358 382 G CA 0.417 45.516 45.100 -0.003 0.000 1.305 382 G HN 0.978 nan 8.290 nan 0.000 0.602 383 A N 1.993 124.811 122.820 -0.003 0.000 2.336 383 A HA 0.967 5.277 4.320 -0.017 0.000 0.212 383 A C 1.549 179.132 177.584 -0.003 0.000 2.317 383 A CA 1.243 53.278 52.037 -0.003 0.000 1.564 383 A CB -0.555 18.444 19.000 -0.002 0.000 1.096 383 A HN 1.780 nan 8.150 nan 0.000 0.441 384 A N -0.546 122.272 122.820 -0.003 0.000 3.176 384 A HA 0.558 4.868 4.320 -0.017 0.000 0.182 384 A C 1.215 178.797 177.584 -0.003 0.000 2.036 384 A CA 0.787 52.822 52.037 -0.003 0.000 0.938 384 A CB -1.246 17.752 19.000 -0.003 0.000 1.909 384 A HN 1.135 nan 8.150 nan 0.000 0.760 385 T N -1.960 112.592 114.554 -0.003 0.000 2.652 385 T HA 0.165 4.505 4.350 -0.017 0.000 0.319 385 T C 0.514 175.212 174.700 -0.003 0.000 1.029 385 T CA 0.493 62.592 62.100 -0.003 0.000 0.990 385 T CB 0.004 68.870 68.868 -0.003 0.000 1.098 385 T HN 0.500 nan 8.240 nan 0.000 0.520 386 E N -0.228 119.970 120.200 -0.004 0.000 2.520 386 E HA 0.022 4.361 4.350 -0.017 0.000 0.201 386 E C 1.546 178.144 176.600 -0.004 0.000 1.122 386 E CA -0.079 56.319 56.400 -0.004 0.000 0.896 386 E CB -0.280 29.418 29.700 -0.004 0.000 0.891 386 E HN 0.448 nan 8.360 nan 0.000 0.533 387 V N 0.220 120.131 119.914 -0.004 0.000 2.436 387 V HA -0.124 3.986 4.120 -0.017 0.000 0.240 387 V C 1.906 177.998 176.094 -0.004 0.000 1.040 387 V CA 1.145 63.443 62.300 -0.004 0.000 1.052 387 V CB -0.145 31.675 31.823 -0.004 0.000 0.707 387 V HN 0.157 nan 8.190 nan 0.000 0.469 388 E N -0.345 119.853 120.200 -0.004 0.000 2.170 388 E HA -0.080 4.259 4.350 -0.017 0.000 0.191 388 E C 2.140 178.738 176.600 -0.003 0.000 0.981 388 E CA 0.669 57.067 56.400 -0.003 0.000 0.830 388 E CB -0.073 29.625 29.700 -0.003 0.000 0.775 388 E HN 0.365 nan 8.360 nan 0.000 0.470 389 M N 1.164 120.762 119.600 -0.003 0.000 2.086 389 M HA -0.172 4.297 4.480 -0.017 0.000 0.261 389 M C 1.725 178.023 176.300 -0.003 0.000 1.067 389 M CA 1.571 56.869 55.300 -0.003 0.000 1.116 389 M CB -0.117 32.481 32.600 -0.003 0.000 1.348 389 M HN -0.104 nan 8.290 nan 0.000 0.407 390 K N -0.182 120.216 120.400 -0.003 0.000 2.148 390 K HA -0.118 4.192 4.320 -0.017 0.000 0.204 390 K C 1.911 178.509 176.600 -0.003 0.000 1.050 390 K CA 0.822 57.107 56.287 -0.003 0.000 0.942 390 K CB -0.422 32.075 32.500 -0.005 0.000 0.724 390 K HN 0.394 nan 8.250 nan 0.000 0.446 391 E N 1.437 121.635 120.200 -0.004 0.000 2.072 391 E HA -0.146 4.194 4.350 -0.017 0.000 0.191 391 E C 1.899 178.498 176.600 -0.003 0.000 0.985 391 E CA 1.058 57.456 56.400 -0.004 0.000 0.801 391 E CB 0.150 29.848 29.700 -0.004 0.000 0.750 391 E HN 0.175 nan 8.360 nan 0.000 0.452 392 K N 0.803 121.202 120.400 -0.002 0.000 2.217 392 K HA -0.114 4.196 4.320 -0.017 0.000 0.202 392 K C 2.183 178.783 176.600 0.001 0.000 1.051 392 K CA 0.903 57.190 56.287 -0.001 0.000 0.952 392 K CB 0.029 32.528 32.500 -0.001 0.000 0.736 392 K HN -0.101 nan 8.250 nan 0.000 0.453 393 K N 0.226 120.626 120.400 0.001 0.000 2.097 393 K HA -0.110 4.200 4.320 -0.017 0.000 0.206 393 K C 1.847 178.450 176.600 0.005 0.000 1.049 393 K CA 1.170 57.459 56.287 0.003 0.000 0.933 393 K CB -0.083 32.418 32.500 0.002 0.000 0.717 393 K HN 0.162 nan 8.250 nan 0.000 0.442 394 A N 1.288 124.109 122.820 0.002 0.000 1.930 394 A HA -0.096 4.214 4.320 -0.017 0.000 0.217 394 A C 2.039 179.626 177.584 0.004 0.000 1.175 394 A CA 1.082 53.120 52.037 0.002 0.000 0.627 394 A CB -0.341 18.656 19.000 -0.004 0.000 0.815 394 A HN 0.279 nan 8.150 nan 0.000 0.443 395 R N -0.715 119.787 120.500 0.003 0.000 2.189 395 R HA -0.000 4.329 4.340 -0.017 0.000 0.218 395 R C 1.885 178.191 176.300 0.011 0.000 1.074 395 R CA 1.079 57.181 56.100 0.005 0.000 0.991 395 R CB -0.216 30.085 30.300 0.002 0.000 0.883 395 R HN 0.431 nan 8.270 nan 0.000 0.457 396 V N 0.784 120.705 119.914 0.011 0.000 2.302 396 V HA -0.178 3.932 4.120 -0.017 0.000 0.243 396 V C 2.023 178.132 176.094 0.026 0.000 1.036 396 V CA 1.582 63.891 62.300 0.014 0.000 1.020 396 V CB -0.340 31.488 31.823 0.009 0.000 0.657 396 V HN 0.294 nan 8.190 nan 0.000 0.453 397 E N 0.088 120.308 120.200 0.032 0.000 2.058 397 E HA -0.280 4.059 4.350 -0.017 0.000 0.194 397 E C 1.963 178.617 176.600 0.090 0.000 0.997 397 E CA 1.759 58.196 56.400 0.061 0.000 0.801 397 E CB -0.216 29.518 29.700 0.056 0.000 0.746 397 E HN 0.593 nan 8.360 nan 0.000 0.450 398 D N 0.279 120.710 120.400 0.052 0.000 2.106 398 D HA -0.171 4.459 4.640 -0.017 0.000 0.191 398 D C 1.740 178.079 176.300 0.064 0.000 0.997 398 D CA 1.702 55.728 54.000 0.043 0.000 0.834 398 D CB -0.242 40.566 40.800 0.013 0.000 0.956 398 D HN 0.193 nan 8.370 nan 0.000 0.448 399 A N -0.431 122.415 122.820 0.044 0.000 2.168 399 A HA -0.026 4.283 4.320 -0.017 0.000 0.215 399 A C 2.003 179.612 177.584 0.040 0.000 1.152 399 A CA 0.528 52.586 52.037 0.036 0.000 0.716 399 A CB -0.408 18.604 19.000 0.020 0.000 0.794 399 A HN 0.220 nan 8.150 nan 0.000 0.465 400 L N -1.300 119.953 121.223 0.050 0.000 2.068 400 L HA -0.065 4.264 4.340 -0.017 0.000 0.204 400 L C 2.376 179.252 176.870 0.010 0.000 1.076 400 L CA 1.660 56.512 54.840 0.019 0.000 0.753 400 L CB -0.535 41.526 42.059 0.003 0.000 0.910 400 L HN 0.499 nan 8.230 nan 0.000 0.439 401 H N -0.882 118.186 119.070 -0.004 0.000 2.387 401 H HA -0.114 4.431 4.556 -0.017 0.000 0.299 401 H C 2.012 177.340 175.328 -0.001 0.000 1.099 401 H CA 1.452 57.498 56.048 -0.003 0.000 1.315 401 H CB 0.148 29.907 29.762 -0.005 0.000 1.380 401 H HN 0.494 nan 8.280 nan 0.000 0.513 402 A N 0.088 122.977 122.820 0.115 0.000 1.929 402 A HA -0.103 4.207 4.320 -0.017 0.000 0.216 402 A C 2.573 180.177 177.584 0.033 0.000 1.176 402 A CA 1.656 53.731 52.037 0.063 0.000 0.628 402 A CB -0.590 18.438 19.000 0.046 0.000 0.816 402 A HN 0.344 nan 8.150 nan 0.000 0.444 403 T N -0.491 114.075 114.554 0.021 0.000 2.821 403 T HA -0.087 4.252 4.350 -0.017 0.000 0.267 403 T C 2.110 176.806 174.700 -0.007 0.000 1.046 403 T CA 0.991 63.094 62.100 0.005 0.000 1.139 403 T CB -0.210 68.658 68.868 -0.001 0.000 0.871 403 T HN 0.291 nan 8.240 nan 0.000 0.454 404 R N 1.258 121.744 120.500 -0.024 0.000 2.083 404 R HA 0.006 4.336 4.340 -0.017 0.000 0.237 404 R C 2.648 178.939 176.300 -0.015 0.000 1.137 404 R CA 1.641 57.717 56.100 -0.040 0.000 0.951 404 R CB -0.909 29.331 30.300 -0.099 0.000 0.851 404 R HN 0.446 nan 8.270 nan 0.000 0.434 405 A N 0.294 123.117 122.820 0.005 0.000 2.014 405 A HA 0.054 4.364 4.320 -0.017 0.000 0.218 405 A C 2.195 179.789 177.584 0.017 0.000 1.163 405 A CA 1.313 53.361 52.037 0.019 0.000 0.652 405 A CB -0.263 18.759 19.000 0.038 0.000 0.808 405 A HN 0.356 nan 8.150 nan 0.000 0.449 406 A N -0.657 122.171 122.820 0.013 0.000 2.066 406 A HA 0.148 4.458 4.320 -0.017 0.000 0.218 406 A C 2.013 179.602 177.584 0.008 0.000 1.157 406 A CA 1.568 53.612 52.037 0.012 0.000 0.670 406 A CB -0.376 18.630 19.000 0.010 0.000 0.804 406 A HN 0.325 nan 8.150 nan 0.000 0.453 407 V N -0.561 119.355 119.914 0.003 0.000 2.575 407 V HA -0.117 3.993 4.120 -0.017 0.000 0.242 407 V C 2.251 178.347 176.094 0.004 0.000 1.045 407 V CA 1.616 63.916 62.300 0.001 0.000 1.065 407 V CB -0.557 31.263 31.823 -0.004 0.000 0.717 407 V HN 0.573 nan 8.190 nan 0.000 0.467 408 E N 0.153 120.356 120.200 0.005 0.000 2.047 408 E HA -0.172 4.168 4.350 -0.017 0.000 0.191 408 E C 1.873 178.480 176.600 0.012 0.000 0.987 408 E CA 1.470 57.874 56.400 0.008 0.000 0.799 408 E CB 0.071 29.777 29.700 0.009 0.000 0.752 408 E HN 0.639 nan 8.360 nan 0.000 0.449 409 E N -1.088 119.121 120.200 0.014 0.000 2.474 409 E HA 0.208 4.548 4.350 -0.017 0.000 0.215 409 E C 0.524 177.133 176.600 0.016 0.000 0.867 409 E CA 0.282 56.691 56.400 0.016 0.000 1.135 409 E CB 1.764 31.476 29.700 0.021 0.000 1.147 409 E HN 0.197 nan 8.360 nan 0.000 0.534 410 G N 1.218 110.027 108.800 0.015 0.000 2.466 410 G HA2 -0.147 3.803 3.960 -0.017 0.000 0.316 410 G HA3 -0.147 3.803 3.960 -0.017 0.000 0.316 410 G C -0.809 174.101 174.900 0.017 0.000 1.270 410 G CA -0.521 44.588 45.100 0.014 0.000 0.982 410 G HN 0.394 nan 8.290 nan 0.000 0.506 411 V N -2.015 117.908 119.914 0.016 0.000 2.588 411 V HA 0.893 5.003 4.120 -0.017 0.000 0.304 411 V C 0.742 176.847 176.094 0.018 0.000 1.042 411 V CA -0.076 62.234 62.300 0.017 0.000 0.877 411 V CB 0.798 32.630 31.823 0.015 0.000 0.996 411 V HN 2.182 nan 8.190 nan 0.000 0.425 412 V N 1.466 121.392 119.914 0.020 0.000 3.302 412 V HA 0.990 5.100 4.120 -0.017 0.000 0.316 412 V C 0.798 176.904 176.094 0.021 0.000 1.111 412 V CA -0.432 61.881 62.300 0.022 0.000 1.029 412 V CB 1.346 33.183 31.823 0.023 0.000 1.170 412 V HN 1.669 nan 8.190 nan 0.000 0.452 413 A N 0.835 123.669 122.820 0.024 0.000 2.454 413 A HA 0.652 4.962 4.320 -0.017 0.000 0.260 413 A C 0.840 178.436 177.584 0.020 0.000 1.106 413 A CA 0.372 52.423 52.037 0.023 0.000 0.780 413 A CB -0.519 18.500 19.000 0.032 0.000 1.044 413 A HN 1.709 nan 8.150 nan 0.000 0.498 414 G N 0.921 109.728 108.800 0.012 0.000 2.486 414 G HA2 0.484 4.434 3.960 -0.017 0.000 0.272 414 G HA3 0.484 4.434 3.960 -0.017 0.000 0.272 414 G C 1.195 176.100 174.900 0.009 0.000 1.426 414 G CA 0.044 45.150 45.100 0.008 0.000 1.058 414 G HN 2.246 nan 8.290 nan 0.000 0.531 415 G N -2.353 106.451 108.800 0.006 0.000 2.166 415 G HA2 0.202 4.152 3.960 -0.017 0.000 0.260 415 G HA3 0.202 4.152 3.960 -0.017 0.000 0.260 415 G C 1.528 176.444 174.900 0.026 0.000 0.986 415 G CA 1.126 46.234 45.100 0.014 0.000 0.683 415 G HN 2.518 nan 8.290 nan 0.000 0.527 416 G N -2.116 106.697 108.800 0.023 0.000 2.153 416 G HA2 -0.081 3.869 3.960 -0.017 0.000 0.252 416 G HA3 -0.081 3.869 3.960 -0.017 0.000 0.252 416 G C 1.748 176.666 174.900 0.030 0.000 0.994 416 G CA 1.923 47.038 45.100 0.025 0.000 0.698 416 G HN 2.240 nan 8.290 nan 0.000 0.521 417 V N -2.889 117.044 119.914 0.032 0.000 2.951 417 V HA 0.471 4.580 4.120 -0.017 0.000 0.255 417 V C 2.725 178.843 176.094 0.040 0.000 1.088 417 V CA 1.630 63.953 62.300 0.039 0.000 1.109 417 V CB -0.533 31.314 31.823 0.041 0.000 0.724 417 V HN 1.286 nan 8.190 nan 0.000 0.471 418 A N 1.287 124.127 122.820 0.034 0.000 1.883 418 A HA -0.083 4.226 4.320 -0.017 0.000 0.217 418 A C 2.197 179.799 177.584 0.031 0.000 1.186 418 A CA 2.377 54.433 52.037 0.032 0.000 0.624 418 A CB -0.706 18.311 19.000 0.028 0.000 0.822 418 A HN 0.590 nan 8.150 nan 0.000 0.444 419 L N -1.067 120.173 121.223 0.029 0.000 2.072 419 L HA -0.034 4.296 4.340 -0.017 0.000 0.205 419 L C 2.441 179.328 176.870 0.028 0.000 1.079 419 L CA 1.138 55.994 54.840 0.027 0.000 0.752 419 L CB -0.327 41.747 42.059 0.025 0.000 0.906 419 L HN 0.429 nan 8.230 nan 0.000 0.436 420 I N -0.512 120.077 120.570 0.032 0.000 2.676 420 I HA -0.231 3.928 4.170 -0.017 0.000 0.259 420 I C 2.639 178.779 176.117 0.038 0.000 1.194 420 I CA 0.655 61.975 61.300 0.034 0.000 1.473 420 I CB 0.070 38.092 38.000 0.037 0.000 1.096 420 I HN 0.176 nan 8.210 nan 0.000 0.443 421 R N 0.025 120.550 120.500 0.041 0.000 2.093 421 R HA -0.026 4.304 4.340 -0.017 0.000 0.224 421 R C 1.974 178.294 176.300 0.033 0.000 1.101 421 R CA 1.327 57.453 56.100 0.043 0.000 0.979 421 R CB -0.657 29.671 30.300 0.048 0.000 0.877 421 R HN 0.187 nan 8.270 nan 0.000 0.441 422 V N 0.827 120.758 119.914 0.029 0.000 2.407 422 V HA -0.190 3.919 4.120 -0.017 0.000 0.248 422 V C 2.278 178.385 176.094 0.021 0.000 1.055 422 V CA 1.830 64.144 62.300 0.023 0.000 1.049 422 V CB -0.831 31.005 31.823 0.022 0.000 0.662 422 V HN 0.473 nan 8.190 nan 0.000 0.455 423 A N 0.842 123.676 122.820 0.022 0.000 1.883 423 A HA -0.252 4.058 4.320 -0.017 0.000 0.217 423 A C 2.530 180.126 177.584 0.019 0.000 1.186 423 A CA 2.558 54.607 52.037 0.020 0.000 0.624 423 A CB -0.818 18.195 19.000 0.021 0.000 0.822 423 A HN 0.706 nan 8.150 nan 0.000 0.444 424 S N -0.734 114.980 115.700 0.022 0.000 2.453 424 S HA -0.035 4.425 4.470 -0.017 0.000 0.231 424 S C 1.592 176.203 174.600 0.017 0.000 1.005 424 S CA 1.278 59.490 58.200 0.020 0.000 0.949 424 S CB -0.210 63.005 63.200 0.025 0.000 0.774 424 S HN 0.591 nan 8.310 nan 0.000 0.510 425 K N 0.378 120.789 120.400 0.018 0.000 2.426 425 K HA 0.345 4.655 4.320 -0.017 0.000 0.193 425 K C 0.668 177.276 176.600 0.012 0.000 1.028 425 K CA 0.224 56.520 56.287 0.015 0.000 1.047 425 K CB 0.026 32.536 32.500 0.017 0.000 0.821 425 K HN 0.383 nan 8.250 nan 0.000 0.513 426 L N -0.243 120.988 121.223 0.012 0.000 3.014 426 L HA 0.252 4.582 4.340 -0.017 0.000 0.263 426 L C 1.436 178.312 176.870 0.009 0.000 1.207 426 L CA -0.192 54.654 54.840 0.010 0.000 1.017 426 L CB 0.571 42.636 42.059 0.010 0.000 1.360 426 L HN 0.031 nan 8.230 nan 0.000 0.560 427 A N -0.493 122.333 122.820 0.009 0.000 2.067 427 A HA -0.136 4.174 4.320 -0.017 0.000 0.219 427 A C 1.530 179.119 177.584 0.007 0.000 1.158 427 A CA 1.301 53.343 52.037 0.008 0.000 0.661 427 A CB -0.136 18.869 19.000 0.009 0.000 0.801 427 A HN 0.285 nan 8.150 nan 0.000 0.452 428 D N -1.047 119.357 120.400 0.006 0.000 2.339 428 D HA 0.129 4.759 4.640 -0.017 0.000 0.217 428 D C 0.196 176.499 176.300 0.005 0.000 1.050 428 D CA -0.063 53.940 54.000 0.005 0.000 0.856 428 D CB -0.035 40.768 40.800 0.005 0.000 0.922 428 D HN 0.341 nan 8.370 nan 0.000 0.518 429 L N 1.681 122.908 121.223 0.005 0.000 2.410 429 L HA 0.161 4.491 4.340 -0.017 0.000 0.273 429 L C 0.101 176.973 176.870 0.004 0.000 1.152 429 L CA 0.427 55.270 54.840 0.005 0.000 0.855 429 L CB 0.243 42.305 42.059 0.005 0.000 1.129 429 L HN -0.244 nan 8.230 nan 0.000 0.463 430 R N 3.005 123.507 120.500 0.004 0.000 2.867 430 R HA 0.637 4.966 4.340 -0.017 0.000 0.268 430 R C -0.054 176.248 176.300 0.003 0.000 1.014 430 R CA -0.273 55.829 56.100 0.003 0.000 0.946 430 R CB 1.499 31.800 30.300 0.003 0.000 1.208 430 R HN 0.812 nan 8.270 nan 0.000 0.477 431 G N -0.118 108.684 108.800 0.003 0.000 3.075 431 G HA2 0.141 4.091 3.960 -0.017 0.000 0.156 431 G HA3 0.141 4.091 3.960 -0.017 0.000 0.156 431 G C 0.201 175.103 174.900 0.002 0.000 1.403 431 G CA 0.044 45.145 45.100 0.003 0.000 1.033 431 G HN 0.440 nan 8.290 nan 0.000 0.589 432 Q N -0.680 119.121 119.800 0.002 0.000 2.442 432 Q HA 0.165 4.495 4.340 -0.017 0.000 0.228 432 Q C 0.007 176.008 176.000 0.002 0.000 0.902 432 Q CA 0.278 56.082 55.803 0.002 0.000 0.933 432 Q CB 0.459 29.198 28.738 0.002 0.000 1.071 432 Q HN 0.625 nan 8.270 nan 0.000 0.562 433 N N -1.303 117.398 118.700 0.002 0.000 2.629 433 N HA 0.066 4.796 4.740 -0.017 0.000 0.279 433 N C 0.126 175.638 175.510 0.003 0.000 1.344 433 N CA -0.484 52.568 53.050 0.002 0.000 0.789 433 N CB 0.524 39.013 38.487 0.002 0.000 1.508 433 N HN -0.262 nan 8.380 nan 0.000 0.516 434 E N -0.329 119.873 120.200 0.002 0.000 2.118 434 E HA -0.186 4.154 4.350 -0.017 0.000 0.195 434 E C 0.417 177.019 176.600 0.003 0.000 0.992 434 E CA 1.717 58.119 56.400 0.003 0.000 0.804 434 E CB -0.319 29.383 29.700 0.002 0.000 0.741 434 E HN 0.593 nan 8.360 nan 0.000 0.458 435 D N -0.082 120.320 120.400 0.003 0.000 2.144 435 D HA -0.143 4.487 4.640 -0.017 0.000 0.199 435 D C 1.871 178.173 176.300 0.004 0.000 0.984 435 D CA 0.898 54.901 54.000 0.004 0.000 0.834 435 D CB -0.203 40.599 40.800 0.004 0.000 0.955 435 D HN 0.386 nan 8.370 nan 0.000 0.465 436 Q N 0.090 119.892 119.800 0.004 0.000 2.119 436 Q HA -0.070 4.260 4.340 -0.017 0.000 0.201 436 Q C 1.790 177.792 176.000 0.004 0.000 0.972 436 Q CA 0.567 56.372 55.803 0.004 0.000 0.847 436 Q CB 0.033 28.773 28.738 0.003 0.000 0.903 436 Q HN 0.236 nan 8.270 nan 0.000 0.433 437 N N 0.123 118.825 118.700 0.004 0.000 2.166 437 N HA -0.128 4.602 4.740 -0.017 0.000 0.186 437 N C 1.811 177.323 175.510 0.004 0.000 1.019 437 N CA 1.060 54.113 53.050 0.004 0.000 0.856 437 N CB -0.155 38.334 38.487 0.003 0.000 0.993 437 N HN 0.065 nan 8.380 nan 0.000 0.426 438 V N 0.559 120.476 119.914 0.004 0.000 2.453 438 V HA -0.067 4.043 4.120 -0.017 0.000 0.247 438 V C 2.443 178.541 176.094 0.006 0.000 1.048 438 V CA 1.727 64.030 62.300 0.005 0.000 1.049 438 V CB -1.141 30.685 31.823 0.005 0.000 0.672 438 V HN 0.299 nan 8.190 nan 0.000 0.457 439 G N 0.342 109.146 108.800 0.006 0.000 2.442 439 G HA2 -0.238 3.712 3.960 -0.017 0.000 0.219 439 G HA3 -0.238 3.712 3.960 -0.017 0.000 0.219 439 G C 1.551 176.454 174.900 0.006 0.000 1.141 439 G CA 1.165 46.268 45.100 0.006 0.000 0.763 439 G HN 0.511 nan 8.290 nan 0.000 0.554 440 I N 0.203 120.776 120.570 0.006 0.000 2.202 440 I HA -0.088 4.072 4.170 -0.017 0.000 0.242 440 I C 2.611 178.732 176.117 0.007 0.000 1.091 440 I CA 0.935 62.238 61.300 0.006 0.000 1.368 440 I CB -0.094 37.909 38.000 0.005 0.000 1.058 440 I HN -0.054 nan 8.210 nan 0.000 0.410 441 K N 0.614 121.018 120.400 0.007 0.000 2.209 441 K HA -0.062 4.247 4.320 -0.017 0.000 0.204 441 K C 2.140 178.744 176.600 0.008 0.000 1.048 441 K CA 0.944 57.235 56.287 0.007 0.000 0.940 441 K CB -0.520 31.984 32.500 0.006 0.000 0.729 441 K HN 0.223 nan 8.250 nan 0.000 0.451 442 V N 1.480 121.398 119.914 0.008 0.000 2.295 442 V HA -0.228 3.882 4.120 -0.017 0.000 0.246 442 V C 2.444 178.543 176.094 0.010 0.000 1.049 442 V CA 1.988 64.293 62.300 0.008 0.000 1.024 442 V CB -0.684 31.144 31.823 0.008 0.000 0.648 442 V HN 0.286 nan 8.190 nan 0.000 0.447 443 A N -0.485 122.341 122.820 0.010 0.000 1.930 443 A HA -0.104 4.206 4.320 -0.017 0.000 0.217 443 A C 2.171 179.762 177.584 0.012 0.000 1.175 443 A CA 1.553 53.596 52.037 0.011 0.000 0.627 443 A CB -0.450 18.556 19.000 0.009 0.000 0.815 443 A HN 0.515 nan 8.150 nan 0.000 0.443 444 L N -1.376 119.853 121.223 0.011 0.000 2.156 444 L HA -0.068 4.262 4.340 -0.017 0.000 0.208 444 L C 2.670 179.547 176.870 0.013 0.000 1.095 444 L CA 0.948 55.795 54.840 0.012 0.000 0.770 444 L CB -0.365 41.701 42.059 0.011 0.000 0.914 444 L HN 0.300 nan 8.230 nan 0.000 0.439 445 R N -0.182 120.324 120.500 0.011 0.000 2.276 445 R HA 0.029 4.359 4.340 -0.017 0.000 0.203 445 R C 2.203 178.509 176.300 0.011 0.000 1.017 445 R CA 0.783 56.889 56.100 0.011 0.000 1.010 445 R CB -0.096 30.209 30.300 0.009 0.000 0.900 445 R HN 0.299 nan 8.270 nan 0.000 0.469 446 A N 0.474 123.302 122.820 0.012 0.000 2.016 446 A HA -0.045 4.265 4.320 -0.017 0.000 0.217 446 A C 1.931 179.525 177.584 0.015 0.000 1.162 446 A CA 0.670 52.715 52.037 0.013 0.000 0.662 446 A CB -0.116 18.893 19.000 0.015 0.000 0.812 446 A HN 0.151 nan 8.150 nan 0.000 0.450 447 M N -0.499 119.110 119.600 0.016 0.000 2.476 447 M HA -0.065 4.404 4.480 -0.017 0.000 0.262 447 M C 1.588 177.899 176.300 0.018 0.000 1.079 447 M CA 0.944 56.255 55.300 0.018 0.000 1.104 447 M CB -0.145 32.467 32.600 0.019 0.000 1.409 447 M HN 0.432 nan 8.290 nan 0.000 0.467 448 E N 0.363 120.572 120.200 0.016 0.000 2.216 448 E HA -0.065 4.275 4.350 -0.017 0.000 0.192 448 E C 2.133 178.740 176.600 0.011 0.000 0.988 448 E CA 0.819 57.228 56.400 0.015 0.000 0.834 448 E CB -0.034 29.673 29.700 0.013 0.000 0.772 448 E HN 0.515 nan 8.360 nan 0.000 0.479 449 A N 2.184 125.010 122.820 0.011 0.000 1.902 449 A HA -0.111 4.199 4.320 -0.017 0.000 0.217 449 A C -0.334 177.255 177.584 0.008 0.000 1.181 449 A CA 1.096 53.138 52.037 0.008 0.000 0.623 449 A CB -1.366 17.639 19.000 0.009 0.000 0.818 449 A HN 0.127 nan 8.150 nan 0.000 0.443 450 P HA -0.188 nan 4.420 nan 0.000 0.214 450 P C 1.808 179.116 177.300 0.012 0.000 1.163 450 P CA 1.066 64.174 63.100 0.013 0.000 0.889 450 P CB -0.138 31.573 31.700 0.017 0.000 0.790 451 L N -0.717 120.515 121.223 0.014 0.000 1.989 451 L HA -0.196 4.134 4.340 -0.017 0.000 0.211 451 L C 2.513 179.381 176.870 -0.002 0.000 1.071 451 L CA 1.796 56.644 54.840 0.014 0.000 0.749 451 L CB -0.365 41.705 42.059 0.019 0.000 0.890 451 L HN -0.200 nan 8.230 nan 0.000 0.431 452 R N -0.865 119.631 120.500 -0.007 0.000 2.127 452 R HA -0.241 4.089 4.340 -0.017 0.000 0.238 452 R C 2.297 178.587 176.300 -0.018 0.000 1.134 452 R CA 1.684 57.773 56.100 -0.019 0.000 0.975 452 R CB -0.279 30.013 30.300 -0.012 0.000 0.865 452 R HN 0.411 nan 8.270 nan 0.000 0.447 453 Q N 0.770 120.566 119.800 -0.006 0.000 2.123 453 Q HA -0.022 4.308 4.340 -0.017 0.000 0.199 453 Q C 1.794 177.793 176.000 -0.001 0.000 0.966 453 Q CA 1.327 57.128 55.803 -0.003 0.000 0.845 453 Q CB 0.039 28.778 28.738 0.001 0.000 0.907 453 Q HN 0.336 nan 8.270 nan 0.000 0.439 454 I N -0.800 119.774 120.570 0.006 0.000 2.252 454 I HA -0.229 3.931 4.170 -0.017 0.000 0.245 454 I C 1.924 178.053 176.117 0.020 0.000 1.102 454 I CA 0.759 62.071 61.300 0.019 0.000 1.385 454 I CB -0.283 37.738 38.000 0.035 0.000 1.064 454 I HN 0.012 nan 8.210 nan 0.000 0.414 455 V N 0.697 120.604 119.914 -0.011 0.000 2.490 455 V HA -0.249 3.861 4.120 -0.017 0.000 0.250 455 V C 2.389 178.456 176.094 -0.045 0.000 1.061 455 V CA 1.424 63.684 62.300 -0.067 0.000 1.064 455 V CB -0.517 31.201 31.823 -0.175 0.000 0.670 455 V HN 0.346 nan 8.190 nan 0.000 0.461 456 L N 0.937 122.143 121.223 -0.030 0.000 2.083 456 L HA -0.120 4.210 4.340 -0.017 0.000 0.209 456 L C 2.152 179.017 176.870 -0.008 0.000 1.083 456 L CA 1.896 56.724 54.840 -0.020 0.000 0.752 456 L CB -0.779 41.271 42.059 -0.015 0.000 0.899 456 L HN 0.329 nan 8.230 nan 0.000 0.433 457 N N -1.521 117.179 118.700 -0.001 0.000 2.309 457 N HA -0.178 4.552 4.740 -0.017 0.000 0.182 457 N C 1.838 177.355 175.510 0.011 0.000 1.018 457 N CA 1.365 54.418 53.050 0.005 0.000 0.876 457 N CB -0.985 37.505 38.487 0.006 0.000 0.972 457 N HN 0.458 nan 8.380 nan 0.000 0.434 458 C N -0.070 119.242 119.300 0.021 0.000 2.522 458 C HA 0.296 4.746 4.460 -0.017 0.000 0.271 458 C C 1.819 176.824 174.990 0.026 0.000 1.425 458 C CA 0.812 59.853 59.018 0.040 0.000 1.751 458 C CB -1.582 26.218 27.740 0.101 0.000 1.775 458 C HN 0.637 nan 8.230 nan 0.000 0.557 459 G N 0.399 109.203 108.800 0.007 0.000 2.253 459 G HA2 -0.183 3.767 3.960 -0.017 0.000 0.251 459 G HA3 -0.183 3.767 3.960 -0.017 0.000 0.251 459 G C 0.022 174.917 174.900 -0.008 0.000 0.998 459 G CA 0.411 45.512 45.100 0.001 0.000 0.621 459 G HN 0.578 nan 8.290 nan 0.000 0.524 460 E N 1.324 121.512 120.200 -0.020 0.000 2.374 460 E HA 0.334 4.673 4.350 -0.017 0.000 0.260 460 E C 0.370 176.931 176.600 -0.065 0.000 1.101 460 E CA -0.269 56.102 56.400 -0.048 0.000 0.907 460 E CB 0.481 30.123 29.700 -0.095 0.000 1.014 460 E HN 0.593 nan 8.360 nan 0.000 0.427 461 E N 3.085 123.251 120.200 -0.057 0.000 2.265 461 E HA 0.005 4.345 4.350 -0.017 0.000 0.272 461 E C -1.397 175.160 176.600 -0.073 0.000 1.067 461 E CA -1.362 55.008 56.400 -0.049 0.000 0.900 461 E CB 0.681 30.364 29.700 -0.028 0.000 1.017 461 E HN 0.229 nan 8.360 nan 0.000 0.431 462 P HA -0.203 nan 4.420 nan 0.000 0.217 462 P C 1.117 178.385 177.300 -0.053 0.000 1.150 462 P CA 1.190 64.247 63.100 -0.073 0.000 0.832 462 P CB 0.232 31.904 31.700 -0.047 0.000 0.787 463 S N 0.028 115.708 115.700 -0.033 0.000 2.370 463 S HA -0.115 4.345 4.470 -0.017 0.000 0.226 463 S C 2.160 176.751 174.600 -0.016 0.000 1.033 463 S CA 1.536 59.725 58.200 -0.019 0.000 1.011 463 S CB -1.878 61.315 63.200 -0.012 0.000 0.852 463 S HN -0.009 nan 8.310 nan 0.000 0.457 464 V N 1.625 121.527 119.914 -0.020 0.000 2.307 464 V HA -0.097 4.012 4.120 -0.017 0.000 0.245 464 V C 2.597 178.693 176.094 0.005 0.000 1.045 464 V CA 1.438 63.734 62.300 -0.006 0.000 1.024 464 V CB -0.808 31.013 31.823 -0.003 0.000 0.651 464 V HN 0.421 nan 8.190 nan 0.000 0.449 465 V N 0.383 120.276 119.914 -0.035 0.000 2.307 465 V HA -0.198 3.912 4.120 -0.017 0.000 0.245 465 V C 2.736 178.846 176.094 0.027 0.000 1.045 465 V CA 1.925 64.208 62.300 -0.028 0.000 1.024 465 V CB -1.091 30.535 31.823 -0.328 0.000 0.651 465 V HN 0.538 nan 8.190 nan 0.000 0.449 466 A N 0.252 123.066 122.820 -0.009 0.000 1.933 466 A HA -0.285 4.025 4.320 -0.017 0.000 0.218 466 A C 2.035 179.640 177.584 0.036 0.000 1.175 466 A CA 2.341 54.389 52.037 0.017 0.000 0.628 466 A CB -0.851 18.150 19.000 0.002 0.000 0.814 466 A HN 0.605 nan 8.150 nan 0.000 0.444 467 N N -0.751 117.964 118.700 0.025 0.000 2.244 467 N HA -0.094 4.636 4.740 -0.017 0.000 0.183 467 N C 1.574 177.105 175.510 0.034 0.000 1.016 467 N CA 1.948 55.013 53.050 0.025 0.000 0.866 467 N CB -0.181 38.313 38.487 0.012 0.000 0.980 467 N HN 0.440 nan 8.380 nan 0.000 0.430 468 T N -1.126 113.454 114.554 0.044 0.000 2.896 468 T HA 0.007 4.347 4.350 -0.017 0.000 0.263 468 T C 1.928 176.707 174.700 0.132 0.000 1.050 468 T CA 0.705 62.824 62.100 0.031 0.000 1.140 468 T CB -0.200 68.619 68.868 -0.080 0.000 0.877 468 T HN -0.021 nan 8.240 nan 0.000 0.457 469 V N 1.575 121.584 119.914 0.159 0.000 2.427 469 V HA -0.109 4.000 4.120 -0.017 0.000 0.248 469 V C 2.445 178.648 176.094 0.180 0.000 1.051 469 V CA 1.416 63.837 62.300 0.202 0.000 1.048 469 V CB -0.462 31.442 31.823 0.135 0.000 0.666 469 V HN 0.437 nan 8.190 nan 0.000 0.456 470 K N 0.214 120.679 120.400 0.108 0.000 2.148 470 K HA -0.061 4.249 4.320 -0.017 0.000 0.204 470 K C 2.239 178.876 176.600 0.062 0.000 1.050 470 K CA 1.241 57.573 56.287 0.076 0.000 0.942 470 K CB -0.481 32.048 32.500 0.048 0.000 0.724 470 K HN 0.556 nan 8.250 nan 0.000 0.446 471 G N 1.238 110.070 108.800 0.055 0.000 2.402 471 G HA2 -0.121 3.828 3.960 -0.017 0.000 0.216 471 G HA3 -0.121 3.828 3.960 -0.017 0.000 0.216 471 G C 0.757 175.651 174.900 -0.010 0.000 1.162 471 G CA 0.664 45.773 45.100 0.015 0.000 0.777 471 G HN 0.368 nan 8.290 nan 0.000 0.539 472 G N -0.618 108.185 108.800 0.004 0.000 2.572 472 G HA2 0.471 4.421 3.960 -0.017 0.000 0.261 472 G HA3 0.471 4.421 3.960 -0.017 0.000 0.261 472 G C -1.097 173.820 174.900 0.028 0.000 1.197 472 G CA -0.373 44.665 45.100 -0.103 0.000 0.870 472 G HN 0.133 nan 8.290 nan 0.000 0.548 473 D N -0.921 119.470 120.400 -0.014 0.000 2.419 473 D HA 0.612 5.242 4.640 -0.017 0.000 0.234 473 D C 0.813 177.158 176.300 0.074 0.000 1.014 473 D CA 0.951 54.974 54.000 0.038 0.000 0.919 473 D CB 1.929 42.732 40.800 0.005 0.000 1.366 473 D HN 0.877 nan 8.370 nan 0.000 0.490 474 G N 1.495 110.342 108.800 0.079 0.000 2.496 474 G HA2 -0.255 3.695 3.960 -0.017 0.000 0.243 474 G HA3 -0.255 3.695 3.960 -0.017 0.000 0.243 474 G C 0.075 175.039 174.900 0.108 0.000 1.176 474 G CA -0.389 44.759 45.100 0.081 0.000 0.940 474 G HN 0.588 nan 8.290 nan 0.000 0.573 475 N N 0.520 119.287 118.700 0.110 0.000 2.346 475 N HA 0.176 4.906 4.740 -0.017 0.000 0.225 475 N C -0.291 175.306 175.510 0.144 0.000 1.144 475 N CA -0.032 53.079 53.050 0.103 0.000 0.837 475 N CB 0.332 38.861 38.487 0.070 0.000 1.069 475 N HN 0.443 nan 8.380 nan 0.000 0.487 476 Y N 1.150 121.481 120.300 0.053 0.000 2.393 476 Y HA 0.426 4.966 4.550 -0.017 0.000 0.338 476 Y C 0.437 176.404 175.900 0.112 0.000 1.029 476 Y CA -0.240 57.905 58.100 0.076 0.000 1.239 476 Y CB 0.446 38.942 38.460 0.060 0.000 1.170 476 Y HN -0.013 nan 8.280 nan 0.000 0.515 477 G N 4.202 112.810 108.800 -0.321 0.000 2.870 477 G HA2 0.258 4.207 3.960 -0.017 0.000 0.299 477 G HA3 0.258 4.207 3.960 -0.017 0.000 0.299 477 G C -2.421 172.387 174.900 -0.154 0.000 1.324 477 G CA -0.903 44.079 45.100 -0.195 0.000 0.808 477 G HN 0.521 nan 8.290 nan 0.000 0.535 478 Y N 1.264 121.446 120.300 -0.198 0.000 2.335 478 Y HA 0.576 5.116 4.550 -0.017 0.000 0.338 478 Y C -0.231 175.526 175.900 -0.238 0.000 0.977 478 Y CA -1.216 56.688 58.100 -0.326 0.000 1.114 478 Y CB 1.622 39.876 38.460 -0.344 0.000 1.182 478 Y HN 0.414 nan 8.280 nan 0.000 0.463 479 N N 4.601 122.820 118.700 -0.801 0.000 2.437 479 N HA 0.231 4.961 4.740 -0.017 0.000 0.243 479 N C 0.271 175.262 175.510 -0.865 0.000 1.041 479 N CA 0.495 53.185 53.050 -0.601 0.000 0.940 479 N CB 1.555 39.801 38.487 -0.403 0.000 1.133 479 N HN 0.915 nan 8.380 nan 0.000 0.506 480 A N 3.699 126.254 122.820 -0.442 0.000 2.014 480 A HA 0.047 4.357 4.320 -0.017 0.000 0.218 480 A C 1.988 179.480 177.584 -0.154 0.000 1.163 480 A CA 1.411 53.335 52.037 -0.188 0.000 0.652 480 A CB -0.410 18.622 19.000 0.053 0.000 0.808 480 A HN 0.699 nan 8.150 nan 0.000 0.449 481 A N -0.187 122.538 122.820 -0.159 0.000 1.898 481 A HA -0.064 4.246 4.320 -0.017 0.000 0.216 481 A C 2.293 179.804 177.584 -0.121 0.000 1.181 481 A CA 2.308 54.279 52.037 -0.109 0.000 0.620 481 A CB -0.939 18.007 19.000 -0.089 0.000 0.819 481 A HN 0.729 nan 8.150 nan 0.000 0.442 482 T N -3.869 110.576 114.554 -0.181 0.000 3.040 482 T HA 0.269 4.609 4.350 -0.017 0.000 0.250 482 T C 0.304 174.893 174.700 -0.185 0.000 1.058 482 T CA 0.662 62.668 62.100 -0.155 0.000 0.988 482 T CB -0.178 68.605 68.868 -0.141 0.000 0.993 482 T HN 0.574 nan 8.240 nan 0.000 0.519 483 E N 1.027 121.046 120.200 -0.301 0.000 2.637 483 E HA -0.142 4.198 4.350 -0.017 0.000 0.265 483 E C -0.732 175.672 176.600 -0.327 0.000 1.073 483 E CA 0.541 56.764 56.400 -0.295 0.000 0.778 483 E CB -1.004 28.670 29.700 -0.044 0.000 1.362 483 E HN 0.642 nan 8.360 nan 0.000 0.413 484 E N -0.224 119.697 120.200 -0.464 0.000 2.212 484 E HA 0.360 4.700 4.350 -0.017 0.000 0.268 484 E C -0.460 175.901 176.600 -0.398 0.000 0.902 484 E CA -0.622 55.614 56.400 -0.275 0.000 0.779 484 E CB 1.068 30.686 29.700 -0.136 0.000 1.172 484 E HN 0.051 nan 8.360 nan 0.000 0.409 485 Y N 0.161 120.415 120.300 -0.078 0.000 2.326 485 Y HA 0.569 5.109 4.550 -0.017 0.000 0.324 485 Y C 1.237 177.098 175.900 -0.065 0.000 1.291 485 Y CA 0.588 58.627 58.100 -0.101 0.000 1.348 485 Y CB 1.568 40.031 38.460 0.006 0.000 1.294 485 Y HN 0.699 nan 8.280 nan 0.000 0.525 486 G N 0.528 109.361 108.800 0.055 0.000 2.356 486 G HA2 -0.074 3.876 3.960 -0.017 0.000 0.288 486 G HA3 -0.074 3.876 3.960 -0.017 0.000 0.288 486 G C -1.813 173.147 174.900 0.101 0.000 1.302 486 G CA -1.247 43.942 45.100 0.148 0.000 0.887 486 G HN 0.541 nan 8.290 nan 0.000 0.521 487 N N 0.932 119.710 118.700 0.130 0.000 2.452 487 N HA 0.098 4.828 4.740 -0.017 0.000 0.266 487 N C 1.743 177.275 175.510 0.037 0.000 1.209 487 N CA -0.317 52.792 53.050 0.098 0.000 0.929 487 N CB 0.729 39.269 38.487 0.088 0.000 1.063 487 N HN 0.398 nan 8.380 nan 0.000 0.472 488 M N 3.660 123.275 119.600 0.025 0.000 2.132 488 M HA -0.118 4.352 4.480 -0.017 0.000 0.263 488 M C 1.728 178.030 176.300 0.004 0.000 1.065 488 M CA 0.958 56.257 55.300 -0.002 0.000 1.122 488 M CB -0.633 31.966 32.600 -0.002 0.000 1.365 488 M HN 0.527 nan 8.290 nan 0.000 0.411 489 I N 0.756 121.336 120.570 0.017 0.000 2.226 489 I HA -0.268 3.891 4.170 -0.017 0.000 0.245 489 I C 1.803 177.927 176.117 0.011 0.000 1.100 489 I CA 1.486 62.794 61.300 0.015 0.000 1.374 489 I CB -1.637 36.376 38.000 0.021 0.000 1.057 489 I HN 0.246 nan 8.210 nan 0.000 0.413 490 D N 0.352 120.761 120.400 0.016 0.000 2.219 490 D HA -0.112 4.518 4.640 -0.017 0.000 0.205 490 D C 2.190 178.492 176.300 0.003 0.000 0.970 490 D CA 0.978 54.986 54.000 0.013 0.000 0.851 490 D CB -0.069 40.744 40.800 0.022 0.000 0.943 490 D HN 0.341 nan 8.370 nan 0.000 0.488 491 M N -0.875 118.722 119.600 -0.005 0.000 2.561 491 M HA 0.134 4.604 4.480 -0.017 0.000 0.238 491 M C 1.100 177.387 176.300 -0.022 0.000 1.131 491 M CA 0.393 55.681 55.300 -0.020 0.000 1.046 491 M CB 0.699 33.276 32.600 -0.038 0.000 1.532 491 M HN 0.098 nan 8.290 nan 0.000 0.497 492 G N 1.688 110.480 108.800 -0.013 0.000 2.179 492 G HA2 -0.259 3.691 3.960 -0.017 0.000 0.260 492 G HA3 -0.259 3.691 3.960 -0.017 0.000 0.260 492 G C 0.128 175.020 174.900 -0.014 0.000 0.977 492 G CA -0.230 44.863 45.100 -0.012 0.000 0.641 492 G HN 0.478 nan 8.290 nan 0.000 0.533 493 I N 1.560 122.119 120.570 -0.020 0.000 2.294 493 I HA 0.490 4.650 4.170 -0.017 0.000 0.295 493 I C 0.265 176.377 176.117 -0.008 0.000 1.098 493 I CA -0.529 60.758 61.300 -0.021 0.000 1.277 493 I CB 0.337 38.315 38.000 -0.037 0.000 1.434 493 I HN 0.260 nan 8.210 nan 0.000 0.498 494 L N 3.980 125.201 121.223 -0.003 0.000 2.466 494 L HA 0.713 5.042 4.340 -0.017 0.000 0.258 494 L C -1.394 175.481 176.870 0.008 0.000 0.973 494 L CA -0.824 54.019 54.840 0.005 0.000 0.826 494 L CB 1.658 43.721 42.059 0.007 0.000 1.372 494 L HN 0.091 nan 8.230 nan 0.000 0.409 495 D N 1.161 121.568 120.400 0.012 0.000 2.375 495 D HA 0.480 5.110 4.640 -0.017 0.000 0.247 495 D C -2.699 173.612 176.300 0.020 0.000 1.061 495 D CA -1.285 52.724 54.000 0.016 0.000 0.834 495 D CB 2.291 43.102 40.800 0.017 0.000 1.247 495 D HN 0.372 nan 8.370 nan 0.000 0.489 496 P HA 0.027 nan 4.420 nan 0.000 0.264 496 P C 0.908 178.225 177.300 0.027 0.000 1.193 496 P CA 0.072 63.187 63.100 0.025 0.000 0.763 496 P CB 0.592 32.310 31.700 0.030 0.000 0.810 497 T N 2.590 117.159 114.554 0.025 0.000 2.737 497 T HA -0.226 4.114 4.350 -0.017 0.000 0.269 497 T C 1.623 176.342 174.700 0.032 0.000 1.040 497 T CA 1.360 63.476 62.100 0.027 0.000 1.142 497 T CB -0.306 68.576 68.868 0.023 0.000 0.861 497 T HN 0.494 nan 8.240 nan 0.000 0.456 498 K N 0.538 120.959 120.400 0.035 0.000 2.063 498 K HA -0.107 4.203 4.320 -0.017 0.000 0.208 498 K C 2.383 179.016 176.600 0.055 0.000 1.048 498 K CA 1.348 57.662 56.287 0.044 0.000 0.928 498 K CB -0.487 32.039 32.500 0.044 0.000 0.713 498 K HN 0.240 nan 8.250 nan 0.000 0.442 499 V N 0.801 120.744 119.914 0.049 0.000 2.427 499 V HA -0.192 3.918 4.120 -0.017 0.000 0.248 499 V C 1.641 177.766 176.094 0.052 0.000 1.051 499 V CA 2.525 64.855 62.300 0.050 0.000 1.048 499 V CB -0.376 31.470 31.823 0.038 0.000 0.666 499 V HN 0.464 nan 8.190 nan 0.000 0.456 500 T N 0.099 114.679 114.554 0.044 0.000 2.857 500 T HA -0.108 4.232 4.350 -0.017 0.000 0.266 500 T C 1.955 176.684 174.700 0.048 0.000 1.048 500 T CA 1.545 63.670 62.100 0.042 0.000 1.139 500 T CB -0.307 68.581 68.868 0.033 0.000 0.874 500 T HN 0.517 nan 8.240 nan 0.000 0.455 501 R N 1.052 121.581 120.500 0.048 0.000 2.075 501 R HA -0.064 4.266 4.340 -0.017 0.000 0.232 501 R C 2.510 178.851 176.300 0.069 0.000 1.126 501 R CA 1.540 57.667 56.100 0.045 0.000 0.963 501 R CB -0.308 30.014 30.300 0.036 0.000 0.858 501 R HN 0.234 nan 8.270 nan 0.000 0.435 502 S N 0.546 116.312 115.700 0.110 0.000 2.356 502 S HA -0.119 4.340 4.470 -0.017 0.000 0.223 502 S C 2.005 176.755 174.600 0.249 0.000 1.032 502 S CA 1.192 59.525 58.200 0.222 0.000 1.005 502 S CB -0.239 63.095 63.200 0.223 0.000 0.867 502 S HN 0.565 nan 8.310 nan 0.000 0.449 503 A N 1.036 123.939 122.820 0.139 0.000 1.940 503 A HA -0.079 4.231 4.320 -0.017 0.000 0.219 503 A C 2.130 179.777 177.584 0.104 0.000 1.176 503 A CA 1.438 53.540 52.037 0.108 0.000 0.631 503 A CB -0.597 18.439 19.000 0.061 0.000 0.814 503 A HN 0.420 nan 8.150 nan 0.000 0.446 504 L N -0.700 120.570 121.223 0.079 0.000 2.068 504 L HA -0.077 4.252 4.340 -0.017 0.000 0.204 504 L C 2.483 179.381 176.870 0.045 0.000 1.076 504 L CA 2.076 56.948 54.840 0.053 0.000 0.753 504 L CB -0.696 41.384 42.059 0.034 0.000 0.910 504 L HN 0.468 nan 8.230 nan 0.000 0.439 505 Q N -1.584 118.231 119.800 0.025 0.000 2.050 505 Q HA -0.243 4.087 4.340 -0.017 0.000 0.202 505 Q C 2.187 178.144 176.000 -0.073 0.000 0.980 505 Q CA 2.333 58.101 55.803 -0.057 0.000 0.840 505 Q CB -0.347 28.306 28.738 -0.141 0.000 0.898 505 Q HN 0.514 nan 8.270 nan 0.000 0.424 506 Y N -0.036 120.270 120.300 0.010 0.000 2.145 506 Y HA -0.217 4.323 4.550 -0.017 0.000 0.286 506 Y C 2.377 178.283 175.900 0.009 0.000 1.145 506 Y CA 1.196 59.301 58.100 0.009 0.000 1.148 506 Y CB -0.502 37.963 38.460 0.009 0.000 0.981 506 Y HN 0.154 nan 8.280 nan 0.000 0.507 507 A N -0.212 122.706 122.820 0.163 0.000 1.972 507 A HA -0.137 4.173 4.320 -0.017 0.000 0.219 507 A C 2.373 179.993 177.584 0.059 0.000 1.169 507 A CA 1.780 53.873 52.037 0.094 0.000 0.635 507 A CB -1.111 17.931 19.000 0.070 0.000 0.810 507 A HN 0.415 nan 8.150 nan 0.000 0.446 508 A N -1.138 121.707 122.820 0.041 0.000 1.930 508 A HA 0.014 4.324 4.320 -0.017 0.000 0.215 508 A C 2.414 180.007 177.584 0.014 0.000 1.176 508 A CA 1.775 53.823 52.037 0.020 0.000 0.632 508 A CB -0.824 18.179 19.000 0.004 0.000 0.819 508 A HN 0.519 nan 8.150 nan 0.000 0.445 509 S N -0.733 114.972 115.700 0.008 0.000 2.359 509 S HA -0.146 4.314 4.470 -0.017 0.000 0.224 509 S C 1.964 176.581 174.600 0.028 0.000 1.035 509 S CA 1.779 59.980 58.200 0.001 0.000 1.018 509 S CB -0.474 62.710 63.200 -0.026 0.000 0.876 509 S HN 0.425 nan 8.310 nan 0.000 0.448 510 V N 1.548 121.493 119.914 0.052 0.000 2.379 510 V HA 0.035 4.145 4.120 -0.017 0.000 0.245 510 V C 2.617 178.733 176.094 0.036 0.000 1.044 510 V CA 1.890 64.220 62.300 0.050 0.000 1.036 510 V CB -0.997 30.863 31.823 0.062 0.000 0.664 510 V HN 0.577 nan 8.190 nan 0.000 0.453 511 A N 0.038 122.878 122.820 0.033 0.000 1.940 511 A HA -0.081 4.229 4.320 -0.017 0.000 0.219 511 A C 2.343 179.939 177.584 0.021 0.000 1.176 511 A CA 1.971 54.023 52.037 0.026 0.000 0.631 511 A CB -1.388 17.627 19.000 0.024 0.000 0.814 511 A HN 0.647 nan 8.150 nan 0.000 0.446 512 G N -0.176 108.635 108.800 0.018 0.000 2.440 512 G HA2 -0.180 3.770 3.960 -0.017 0.000 0.218 512 G HA3 -0.180 3.770 3.960 -0.017 0.000 0.218 512 G C 1.551 176.461 174.900 0.016 0.000 1.154 512 G CA 1.090 46.198 45.100 0.014 0.000 0.767 512 G HN 0.445 nan 8.290 nan 0.000 0.552 513 L N -0.391 120.843 121.223 0.019 0.000 2.093 513 L HA 0.055 4.385 4.340 -0.017 0.000 0.208 513 L C 3.035 179.919 176.870 0.023 0.000 1.085 513 L CA 0.818 55.670 54.840 0.021 0.000 0.755 513 L CB -0.237 41.837 42.059 0.024 0.000 0.904 513 L HN 0.212 nan 8.230 nan 0.000 0.435 514 M N -0.896 118.718 119.600 0.025 0.000 2.319 514 M HA -0.131 4.339 4.480 -0.017 0.000 0.265 514 M C 2.167 178.481 176.300 0.023 0.000 1.068 514 M CA 1.509 56.824 55.300 0.025 0.000 1.118 514 M CB -0.044 32.571 32.600 0.026 0.000 1.395 514 M HN 0.207 nan 8.290 nan 0.000 0.435 515 I N -0.163 120.419 120.570 0.021 0.000 2.439 515 I HA -0.190 3.970 4.170 -0.017 0.000 0.251 515 I C 1.818 177.947 176.117 0.020 0.000 1.139 515 I CA 1.238 62.549 61.300 0.019 0.000 1.438 515 I CB -0.191 37.818 38.000 0.016 0.000 1.085 515 I HN 0.329 nan 8.210 nan 0.000 0.427 516 T N -2.533 112.033 114.554 0.021 0.000 3.272 516 T HA 0.102 4.442 4.350 -0.017 0.000 0.250 516 T C 0.623 175.339 174.700 0.028 0.000 1.082 516 T CA -0.168 61.946 62.100 0.023 0.000 0.968 516 T CB -0.754 68.126 68.868 0.020 0.000 1.015 516 T HN -0.003 nan 8.240 nan 0.000 0.563 517 T N 2.400 116.971 114.554 0.029 0.000 2.780 517 T HA 0.288 4.628 4.350 -0.017 0.000 0.294 517 T C 0.623 175.347 174.700 0.040 0.000 0.949 517 T CA -0.536 61.584 62.100 0.034 0.000 1.074 517 T CB 1.574 70.461 68.868 0.032 0.000 0.910 517 T HN 0.129 nan 8.240 nan 0.000 0.501 518 E N 0.489 120.722 120.200 0.054 0.000 2.421 518 E HA 0.154 4.494 4.350 -0.017 0.000 0.209 518 E C 0.112 176.773 176.600 0.101 0.000 0.871 518 E CA 0.151 56.601 56.400 0.082 0.000 1.064 518 E CB 0.882 30.642 29.700 0.099 0.000 1.075 518 E HN 0.578 nan 8.360 nan 0.000 0.513 519 C N 1.040 120.375 119.300 0.058 0.000 2.609 519 C HA 0.701 5.151 4.460 -0.017 0.000 0.313 519 C C -1.018 173.942 174.990 -0.050 0.000 1.175 519 C CA -0.527 58.468 59.018 -0.040 0.000 1.434 519 C CB 0.200 27.953 27.740 0.020 0.000 2.005 519 C HN 0.153 nan 8.230 nan 0.000 0.471 520 M N 5.340 124.891 119.600 -0.082 0.000 2.326 520 M HA 0.561 5.030 4.480 -0.017 0.000 0.306 520 M C -1.101 175.258 176.300 0.097 0.000 1.054 520 M CA -0.503 54.841 55.300 0.074 0.000 0.922 520 M CB 2.106 34.863 32.600 0.262 0.000 1.632 520 M HN 0.387 nan 8.290 nan 0.000 0.436 521 V N 1.788 121.714 119.914 0.019 0.000 2.407 521 V HA 0.653 4.763 4.120 -0.017 0.000 0.291 521 V C -0.297 175.724 176.094 -0.122 0.000 1.018 521 V CA -0.403 61.878 62.300 -0.033 0.000 0.842 521 V CB 1.766 33.568 31.823 -0.035 0.000 0.996 521 V HN 0.934 nan 8.190 nan 0.000 0.426 522 T N 2.166 116.584 114.554 -0.228 0.000 2.865 522 T HA 0.454 4.794 4.350 -0.017 0.000 0.294 522 T C -1.088 173.481 174.700 -0.219 0.000 1.119 522 T CA -0.539 61.376 62.100 -0.310 0.000 1.007 522 T CB 1.886 70.388 68.868 -0.610 0.000 1.225 522 T HN 0.616 nan 8.240 nan 0.000 0.515 523 D N 1.396 121.688 120.400 -0.181 0.000 2.382 523 D HA 0.304 4.934 4.640 -0.017 0.000 0.240 523 D C -0.132 176.101 176.300 -0.111 0.000 1.146 523 D CA -0.048 53.883 54.000 -0.115 0.000 0.897 523 D CB 0.493 41.240 40.800 -0.088 0.000 1.197 523 D HN 0.334 nan 8.370 nan 0.000 0.432 524 L N 3.546 124.734 121.223 -0.059 0.000 2.367 524 L HA 0.291 4.621 4.340 -0.017 0.000 0.275 524 L C -1.608 175.245 176.870 -0.027 0.000 1.129 524 L CA -0.952 53.870 54.840 -0.030 0.000 0.839 524 L CB 0.213 42.267 42.059 -0.008 0.000 1.133 524 L HN 0.375 nan 8.230 nan 0.000 0.453 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.094 63.100 -0.010 0.000 0.800 525 P CB 0.000 31.704 31.700 0.007 0.000 0.726