REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3fbh_1_B DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNKDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.584 177.584 -0.000 0.000 1.274 2 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 2 A CB 0.000 18.994 19.000 -0.010 0.000 0.831 3 A N 2.602 125.424 122.820 0.003 0.000 2.522 3 A HA 0.520 4.840 4.320 -0.000 0.000 0.256 3 A C 0.197 177.786 177.584 0.008 0.000 1.086 3 A CA 0.388 52.431 52.037 0.010 0.000 0.763 3 A CB -0.122 18.886 19.000 0.014 0.000 1.024 3 A HN 0.536 nan 8.150 nan 0.000 0.502 4 K N 2.182 122.591 120.400 0.016 0.000 2.164 4 K HA 0.328 4.648 4.320 -0.000 0.000 0.258 4 K C -1.186 175.441 176.600 0.045 0.000 0.951 4 K CA -0.609 55.685 56.287 0.012 0.000 0.844 4 K CB 1.993 34.496 32.500 0.006 0.000 1.099 4 K HN 0.768 nan 8.250 nan 0.000 0.435 5 D N 1.936 122.371 120.400 0.057 0.000 2.280 5 D HA 0.294 4.934 4.640 -0.000 0.000 0.236 5 D C -1.094 175.371 176.300 0.275 0.000 1.082 5 D CA -0.557 53.536 54.000 0.155 0.000 0.834 5 D CB 1.078 42.000 40.800 0.203 0.000 1.100 5 D HN 0.042 nan 8.370 nan 0.000 0.486 6 V N 4.502 124.545 119.914 0.216 0.000 2.555 6 V HA 0.523 4.643 4.120 -0.000 0.000 0.302 6 V C 0.107 176.161 176.094 -0.066 0.000 1.038 6 V CA -0.741 61.615 62.300 0.092 0.000 0.887 6 V CB 1.865 33.692 31.823 0.007 0.000 0.991 6 V HN 0.465 nan 8.190 nan 0.000 0.434 7 K N 3.260 123.457 120.400 -0.338 0.000 2.477 7 K HA 0.768 5.088 4.320 -0.000 0.000 0.255 7 K C -1.722 174.521 176.600 -0.595 0.000 0.952 7 K CA -0.555 55.486 56.287 -0.410 0.000 0.826 7 K CB 2.719 34.822 32.500 -0.662 0.000 1.331 7 K HN 0.454 nan 8.250 nan 0.000 0.437 8 F N -0.437 119.474 119.950 -0.065 0.000 2.620 8 F HA 0.469 4.996 4.527 -0.000 0.000 0.320 8 F C 1.156 176.936 175.800 -0.034 0.000 1.069 8 F CA -0.047 57.938 58.000 -0.025 0.000 0.953 8 F CB 1.640 40.631 39.000 -0.015 0.000 1.322 8 F HN 0.795 nan 8.300 nan 0.000 0.479 9 G N 1.490 110.399 108.800 0.182 0.000 2.652 9 G HA2 -0.427 3.533 3.960 -0.000 0.000 0.318 9 G HA3 -0.427 3.533 3.960 -0.000 0.000 0.318 9 G C 1.127 176.054 174.900 0.046 0.000 1.295 9 G CA 0.849 46.008 45.100 0.098 0.000 0.999 9 G HN 0.795 nan 8.290 nan 0.000 0.548 10 N N 0.615 119.334 118.700 0.031 0.000 2.120 10 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 10 N C 1.921 177.427 175.510 -0.007 0.000 1.024 10 N CA 2.158 55.215 53.050 0.011 0.000 0.852 10 N CB -0.414 38.077 38.487 0.008 0.000 1.003 10 N HN 0.578 nan 8.380 nan 0.000 0.424 11 D N 0.398 120.790 120.400 -0.013 0.000 2.154 11 D HA -0.177 4.463 4.640 -0.000 0.000 0.190 11 D C 1.781 178.021 176.300 -0.100 0.000 1.003 11 D CA 2.002 55.970 54.000 -0.052 0.000 0.849 11 D CB -0.369 40.401 40.800 -0.050 0.000 0.942 11 D HN 0.393 nan 8.370 nan 0.000 0.446 12 A N 0.074 122.836 122.820 -0.097 0.000 1.877 12 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 12 A C 2.316 179.880 177.584 -0.035 0.000 1.186 12 A CA 1.628 53.598 52.037 -0.111 0.000 0.620 12 A CB -0.519 18.436 19.000 -0.075 0.000 0.822 12 A HN 0.231 nan 8.150 nan 0.000 0.443 13 R N -0.311 120.182 120.500 -0.013 0.000 2.091 13 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 13 R C 2.091 178.394 176.300 0.004 0.000 1.136 13 R CA 1.741 57.845 56.100 0.005 0.000 0.959 13 R CB -0.730 29.576 30.300 0.010 0.000 0.856 13 R HN 0.597 nan 8.270 nan 0.000 0.437 14 V N -0.685 119.224 119.914 -0.008 0.000 2.626 14 V HA -0.138 3.982 4.120 -0.000 0.000 0.252 14 V C 1.854 177.948 176.094 -0.000 0.000 1.067 14 V CA 1.411 63.708 62.300 -0.006 0.000 1.081 14 V CB -0.376 31.439 31.823 -0.014 0.000 0.686 14 V HN 0.107 nan 8.190 nan 0.000 0.468 15 K N 0.056 120.455 120.400 -0.002 0.000 2.044 15 K HA 0.130 4.450 4.320 -0.000 0.000 0.204 15 K C 2.217 178.848 176.600 0.053 0.000 1.049 15 K CA 1.623 57.927 56.287 0.028 0.000 0.945 15 K CB -0.395 32.127 32.500 0.036 0.000 0.724 15 K HN 0.474 nan 8.250 nan 0.000 0.440 16 M N 0.565 120.198 119.600 0.055 0.000 2.080 16 M HA -0.207 4.273 4.480 -0.000 0.000 0.260 16 M C 2.246 178.564 176.300 0.030 0.000 1.068 16 M CA 1.275 56.604 55.300 0.048 0.000 1.109 16 M CB -0.335 32.291 32.600 0.044 0.000 1.342 16 M HN 0.024 nan 8.290 nan 0.000 0.405 17 L N 0.328 121.565 121.223 0.023 0.000 2.017 17 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 17 L C 2.474 179.354 176.870 0.016 0.000 1.073 17 L CA 1.914 56.764 54.840 0.017 0.000 0.745 17 L CB -0.742 41.324 42.059 0.012 0.000 0.894 17 L HN 0.147 nan 8.230 nan 0.000 0.432 18 R N -0.199 120.311 120.500 0.017 0.000 2.096 18 R HA -0.151 4.189 4.340 -0.000 0.000 0.240 18 R C 2.193 178.505 176.300 0.019 0.000 1.139 18 R CA 1.901 58.011 56.100 0.017 0.000 0.952 18 R CB -1.358 28.953 30.300 0.018 0.000 0.854 18 R HN 0.488 nan 8.270 nan 0.000 0.436 19 G N -0.332 108.484 108.800 0.026 0.000 2.459 19 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 19 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 19 G C 1.429 176.338 174.900 0.014 0.000 1.183 19 G CA 1.440 46.554 45.100 0.023 0.000 0.776 19 G HN 0.408 nan 8.290 nan 0.000 0.552 20 V N -0.875 119.047 119.914 0.014 0.000 2.809 20 V HA -0.055 4.065 4.120 -0.000 0.000 0.256 20 V C 2.181 178.280 176.094 0.009 0.000 1.080 20 V CA 1.931 64.237 62.300 0.010 0.000 1.102 20 V CB -0.493 31.337 31.823 0.012 0.000 0.705 20 V HN 0.186 nan 8.190 nan 0.000 0.475 21 N N 1.085 119.791 118.700 0.009 0.000 2.216 21 N HA -0.055 4.685 4.740 -0.000 0.000 0.183 21 N C 1.832 177.345 175.510 0.006 0.000 1.017 21 N CA 1.689 54.743 53.050 0.008 0.000 0.861 21 N CB -0.348 38.144 38.487 0.008 0.000 0.986 21 N HN 0.501 nan 8.380 nan 0.000 0.428 22 V N 1.754 121.672 119.914 0.006 0.000 2.233 22 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 22 V C 2.449 178.544 176.094 0.002 0.000 1.050 22 V CA 1.281 63.584 62.300 0.004 0.000 1.010 22 V CB -0.683 31.142 31.823 0.005 0.000 0.637 22 V HN 0.194 nan 8.190 nan 0.000 0.444 23 L N 0.876 122.099 121.223 0.001 0.000 2.012 23 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 23 L C 2.423 179.292 176.870 -0.001 0.000 1.073 23 L CA 2.522 57.361 54.840 -0.002 0.000 0.748 23 L CB -1.037 41.021 42.059 -0.003 0.000 0.891 23 L HN 0.228 nan 8.230 nan 0.000 0.431 24 A N -0.848 121.973 122.820 0.002 0.000 1.877 24 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 24 A C 1.999 179.584 177.584 0.002 0.000 1.186 24 A CA 1.926 53.964 52.037 0.003 0.000 0.620 24 A CB -0.895 18.109 19.000 0.005 0.000 0.822 24 A HN 0.542 nan 8.150 nan 0.000 0.443 25 D N -0.224 120.178 120.400 0.002 0.000 2.183 25 D HA 0.074 4.714 4.640 -0.000 0.000 0.203 25 D C 2.043 178.343 176.300 0.001 0.000 0.969 25 D CA 1.263 55.264 54.000 0.002 0.000 0.842 25 D CB -0.282 40.520 40.800 0.003 0.000 0.957 25 D HN 0.420 nan 8.370 nan 0.000 0.484 26 A N 0.068 122.888 122.820 -0.000 0.000 2.066 26 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 26 A C 2.205 179.787 177.584 -0.003 0.000 1.157 26 A CA 0.687 52.723 52.037 -0.002 0.000 0.670 26 A CB -0.013 18.985 19.000 -0.003 0.000 0.804 26 A HN 0.150 nan 8.150 nan 0.000 0.453 27 V N 0.507 120.420 119.914 -0.002 0.000 2.949 27 V HA -0.116 4.004 4.120 -0.000 0.000 0.245 27 V C 2.335 178.428 176.094 -0.002 0.000 1.086 27 V CA 1.557 63.855 62.300 -0.003 0.000 1.097 27 V CB -0.229 31.591 31.823 -0.004 0.000 0.762 27 V HN 0.788 nan 8.190 nan 0.000 0.470 28 K N 1.747 122.147 120.400 0.000 0.000 2.211 28 K HA -0.106 4.214 4.320 -0.000 0.000 0.203 28 K C 1.880 178.481 176.600 0.002 0.000 1.050 28 K CA 1.796 58.084 56.287 0.002 0.000 0.945 28 K CB -0.735 31.767 32.500 0.004 0.000 0.732 28 K HN 0.464 nan 8.250 nan 0.000 0.451 29 V N 0.335 120.250 119.914 0.001 0.000 2.759 29 V HA -0.173 3.947 4.120 -0.000 0.000 0.256 29 V C 2.408 178.502 176.094 -0.000 0.000 1.080 29 V CA 1.880 64.180 62.300 0.001 0.000 1.101 29 V CB -1.212 30.611 31.823 0.000 0.000 0.698 29 V HN 0.568 nan 8.190 nan 0.000 0.477 30 T N -2.090 112.463 114.554 -0.002 0.000 3.088 30 T HA 0.157 4.507 4.350 -0.000 0.000 0.259 30 T C 0.685 175.382 174.700 -0.004 0.000 1.122 30 T CA 0.107 62.204 62.100 -0.004 0.000 1.095 30 T CB -0.329 68.536 68.868 -0.005 0.000 0.930 30 T HN 0.374 nan 8.240 nan 0.000 0.508 31 L N 2.400 123.622 121.223 -0.002 0.000 2.461 31 L HA 0.515 4.855 4.340 -0.000 0.000 0.272 31 L C 0.928 177.797 176.870 -0.003 0.000 1.197 31 L CA 1.663 56.502 54.840 -0.002 0.000 0.836 31 L CB -0.348 41.712 42.059 0.001 0.000 1.105 31 L HN 0.738 nan 8.230 nan 0.000 0.477 32 G N 3.647 112.444 108.800 -0.006 0.000 2.795 32 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.664 32 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.664 32 G C -2.033 172.858 174.900 -0.016 0.000 1.381 32 G CA -0.353 44.741 45.100 -0.010 0.000 0.853 32 G HN 0.565 nan 8.290 nan 0.000 0.545 33 P HA 0.081 nan 4.420 nan 0.000 0.221 33 P C 1.098 178.385 177.300 -0.022 0.000 1.150 33 P CA 1.172 64.254 63.100 -0.029 0.000 0.800 33 P CB 0.169 31.841 31.700 -0.047 0.000 0.787 34 K N 0.087 120.478 120.400 -0.015 0.000 2.814 34 K HA 0.282 4.602 4.320 -0.000 0.000 0.213 34 K C 0.890 177.488 176.600 -0.004 0.000 1.113 34 K CA -0.144 56.138 56.287 -0.008 0.000 1.145 34 K CB 0.300 32.798 32.500 -0.003 0.000 0.948 34 K HN 0.060 nan 8.250 nan 0.000 0.464 35 G N 1.100 109.897 108.800 -0.005 0.000 2.664 35 G HA2 0.074 4.034 3.960 -0.000 0.000 0.242 35 G HA3 0.074 4.034 3.960 -0.000 0.000 0.242 35 G C 0.069 174.967 174.900 -0.003 0.000 1.225 35 G CA -0.376 44.722 45.100 -0.004 0.000 0.849 35 G HN 0.133 nan 8.290 nan 0.000 0.581 36 R N -0.240 120.258 120.500 -0.002 0.000 2.787 36 R HA 0.221 4.561 4.340 -0.000 0.000 0.271 36 R C -0.277 176.022 176.300 -0.003 0.000 0.993 36 R CA -0.871 55.228 56.100 -0.002 0.000 0.993 36 R CB 1.129 31.429 30.300 -0.000 0.000 1.155 36 R HN 0.650 nan 8.270 nan 0.000 0.486 37 N N -0.173 118.525 118.700 -0.002 0.000 2.470 37 N HA 0.145 4.885 4.740 -0.000 0.000 0.268 37 N C -0.803 174.705 175.510 -0.003 0.000 1.136 37 N CA -0.095 52.953 53.050 -0.003 0.000 0.961 37 N CB 0.983 39.469 38.487 -0.002 0.000 1.067 37 N HN 0.094 nan 8.380 nan 0.000 0.468 38 V N 3.356 123.268 119.914 -0.003 0.000 2.350 38 V HA 0.167 4.287 4.120 -0.000 0.000 0.285 38 V C -0.107 175.985 176.094 -0.003 0.000 1.014 38 V CA -0.809 61.489 62.300 -0.004 0.000 0.831 38 V CB 1.404 33.224 31.823 -0.004 0.000 1.000 38 V HN 0.375 nan 8.190 nan 0.000 0.433 39 V N 7.016 126.928 119.914 -0.003 0.000 2.313 39 V HA 0.259 4.379 4.120 -0.000 0.000 0.252 39 V C 0.258 176.350 176.094 -0.003 0.000 1.112 39 V CA -0.186 62.112 62.300 -0.003 0.000 0.984 39 V CB 0.030 31.852 31.823 -0.002 0.000 1.157 39 V HN 0.612 nan 8.190 nan 0.000 0.493 40 L N 3.389 124.610 121.223 -0.003 0.000 2.380 40 L HA 0.382 4.722 4.340 -0.000 0.000 0.273 40 L C 0.353 177.222 176.870 -0.002 0.000 1.138 40 L CA -0.073 54.765 54.840 -0.004 0.000 0.832 40 L CB 0.560 42.616 42.059 -0.004 0.000 1.124 40 L HN 0.465 nan 8.230 nan 0.000 0.454 41 D N 2.701 123.098 120.400 -0.005 0.000 2.225 41 D HA 0.251 4.891 4.640 -0.000 0.000 0.248 41 D C -0.656 175.640 176.300 -0.006 0.000 1.096 41 D CA -0.267 53.728 54.000 -0.008 0.000 0.863 41 D CB 0.898 41.689 40.800 -0.015 0.000 1.156 41 D HN 0.292 nan 8.370 nan 0.000 0.450 42 K N 1.435 121.836 120.400 0.001 0.000 2.182 42 K HA 0.227 4.547 4.320 -0.000 0.000 0.262 42 K C 1.258 177.845 176.600 -0.023 0.000 0.957 42 K CA -0.526 55.770 56.287 0.015 0.000 0.842 42 K CB 1.535 34.066 32.500 0.052 0.000 1.099 42 K HN 0.432 nan 8.250 nan 0.000 0.438 43 S N 2.010 117.669 115.700 -0.068 0.000 2.383 43 S HA -0.118 4.352 4.470 -0.000 0.000 0.229 43 S C 0.516 174.902 174.600 -0.356 0.000 1.030 43 S CA 0.909 58.960 58.200 -0.248 0.000 1.002 43 S CB -0.346 62.629 63.200 -0.376 0.000 0.829 43 S HN 0.398 nan 8.310 nan 0.000 0.467 44 F N 2.751 122.698 119.950 -0.005 0.000 2.410 44 F HA 0.628 5.155 4.527 -0.000 0.000 0.349 44 F C 1.478 177.275 175.800 -0.005 0.000 1.117 44 F CA 0.179 58.176 58.000 -0.004 0.000 1.104 44 F CB 0.902 39.899 39.000 -0.004 0.000 1.122 44 F HN 0.477 nan 8.300 nan 0.000 0.483 45 G N 1.749 110.638 108.800 0.149 0.000 2.527 45 G HA2 0.017 3.977 3.960 -0.000 0.000 0.268 45 G HA3 0.017 3.977 3.960 -0.000 0.000 0.268 45 G C -0.467 174.463 174.900 0.050 0.000 1.175 45 G CA -0.385 44.769 45.100 0.090 0.000 0.962 45 G HN 1.117 nan 8.290 nan 0.000 0.560 46 A N 0.991 123.835 122.820 0.041 0.000 2.282 46 A HA 0.839 5.159 4.320 -0.000 0.000 0.319 46 A C -2.245 175.352 177.584 0.022 0.000 1.121 46 A CA -0.635 51.417 52.037 0.024 0.000 0.836 46 A CB 0.862 19.873 19.000 0.018 0.000 1.146 46 A HN 0.688 nan 8.150 nan 0.000 0.494 47 P HA 0.307 nan 4.420 nan 0.000 0.281 47 P C -0.357 176.948 177.300 0.008 0.000 1.252 47 P CA -0.007 63.098 63.100 0.009 0.000 0.778 47 P CB 0.614 32.315 31.700 0.003 0.000 0.895 48 T N 3.729 118.288 114.554 0.008 0.000 2.928 48 T HA 0.232 4.582 4.350 -0.000 0.000 0.305 48 T C 0.545 175.246 174.700 0.002 0.000 1.035 48 T CA 0.336 62.439 62.100 0.005 0.000 1.145 48 T CB -0.222 68.649 68.868 0.004 0.000 0.963 48 T HN 0.208 nan 8.240 nan 0.000 0.545 49 I N 2.209 122.780 120.570 0.001 0.000 2.436 49 I HA 0.566 4.736 4.170 -0.000 0.000 0.289 49 I C 0.274 176.389 176.117 -0.003 0.000 1.010 49 I CA -0.562 60.737 61.300 -0.001 0.000 1.098 49 I CB 2.226 40.226 38.000 -0.001 0.000 1.266 49 I HN 0.571 nan 8.210 nan 0.000 0.434 50 T N 3.842 118.393 114.554 -0.004 0.000 2.853 50 T HA 0.428 4.778 4.350 -0.000 0.000 0.311 50 T C -0.619 174.078 174.700 -0.006 0.000 1.307 50 T CA -0.659 61.438 62.100 -0.005 0.000 1.019 50 T CB 1.580 70.444 68.868 -0.006 0.000 1.264 50 T HN 0.675 nan 8.240 nan 0.000 0.497 51 K N 1.759 122.155 120.400 -0.007 0.000 2.646 51 K HA 0.274 4.594 4.320 -0.000 0.000 0.206 51 K C -0.819 175.776 176.600 -0.009 0.000 1.069 51 K CA -0.497 55.785 56.287 -0.007 0.000 1.067 51 K CB 0.533 33.029 32.500 -0.007 0.000 0.807 51 K HN 0.371 nan 8.250 nan 0.000 0.482 52 D N -0.047 120.347 120.400 -0.010 0.000 2.249 52 D HA 0.154 4.794 4.640 -0.000 0.000 0.246 52 D C 1.079 177.371 176.300 -0.012 0.000 1.114 52 D CA -0.133 53.859 54.000 -0.012 0.000 0.854 52 D CB 1.536 42.327 40.800 -0.014 0.000 1.132 52 D HN 0.209 nan 8.370 nan 0.000 0.461 53 G N 2.098 110.890 108.800 -0.013 0.000 2.464 53 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.217 53 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.217 53 G C 1.405 176.295 174.900 -0.016 0.000 1.138 53 G CA 0.371 45.464 45.100 -0.012 0.000 0.793 53 G HN 0.473 nan 8.290 nan 0.000 0.539 54 V N 0.972 120.874 119.914 -0.020 0.000 2.548 54 V HA -0.114 4.006 4.120 -0.000 0.000 0.249 54 V C 2.971 179.050 176.094 -0.024 0.000 1.055 54 V CA 1.909 64.193 62.300 -0.025 0.000 1.065 54 V CB -0.275 31.529 31.823 -0.032 0.000 0.681 54 V HN 0.305 nan 8.190 nan 0.000 0.462 55 S N 0.176 115.863 115.700 -0.021 0.000 2.368 55 S HA -0.135 4.335 4.470 -0.000 0.000 0.224 55 S C 2.016 176.606 174.600 -0.016 0.000 1.029 55 S CA 1.468 59.657 58.200 -0.018 0.000 0.988 55 S CB -0.093 63.097 63.200 -0.015 0.000 0.838 55 S HN 0.404 nan 8.310 nan 0.000 0.462 56 V N 1.789 121.694 119.914 -0.014 0.000 2.379 56 V HA -0.073 4.047 4.120 -0.000 0.000 0.245 56 V C 2.578 178.663 176.094 -0.014 0.000 1.044 56 V CA 1.500 63.792 62.300 -0.012 0.000 1.036 56 V CB -1.113 30.704 31.823 -0.010 0.000 0.664 56 V HN 0.515 nan 8.190 nan 0.000 0.453 57 A N -0.208 122.602 122.820 -0.016 0.000 2.070 57 A HA -0.228 4.092 4.320 -0.000 0.000 0.220 57 A C 2.388 179.960 177.584 -0.021 0.000 1.159 57 A CA 1.790 53.816 52.037 -0.018 0.000 0.656 57 A CB -0.572 18.416 19.000 -0.020 0.000 0.800 57 A HN 0.466 nan 8.150 nan 0.000 0.453 58 R N -0.571 119.915 120.500 -0.023 0.000 2.115 58 R HA -0.053 4.287 4.340 -0.000 0.000 0.226 58 R C 0.956 177.242 176.300 -0.023 0.000 1.100 58 R CA 1.131 57.215 56.100 -0.026 0.000 0.980 58 R CB 0.013 30.296 30.300 -0.028 0.000 0.875 58 R HN 0.363 nan 8.270 nan 0.000 0.445 59 E N 0.293 120.482 120.200 -0.018 0.000 2.479 59 E HA 0.047 4.397 4.350 -0.000 0.000 0.193 59 E C -0.085 176.506 176.600 -0.014 0.000 1.049 59 E CA 0.037 56.428 56.400 -0.015 0.000 0.870 59 E CB 0.401 30.094 29.700 -0.012 0.000 0.944 59 E HN 0.217 nan 8.360 nan 0.000 0.492 60 I N 1.874 122.435 120.570 -0.015 0.000 2.379 60 I HA 0.178 4.348 4.170 -0.000 0.000 0.290 60 I C 0.287 176.395 176.117 -0.014 0.000 1.063 60 I CA 0.218 61.510 61.300 -0.013 0.000 1.351 60 I CB 0.304 38.297 38.000 -0.012 0.000 1.410 60 I HN -0.051 nan 8.210 nan 0.000 0.505 61 E N 6.642 126.835 120.200 -0.012 0.000 2.397 61 E HA 0.440 4.790 4.350 -0.000 0.000 0.293 61 E C -1.797 174.797 176.600 -0.010 0.000 0.930 61 E CA -0.545 55.847 56.400 -0.014 0.000 0.793 61 E CB 2.019 31.709 29.700 -0.016 0.000 1.259 61 E HN 0.429 nan 8.360 nan 0.000 0.406 62 L N 2.987 124.205 121.223 -0.009 0.000 2.358 62 L HA 0.410 4.750 4.340 -0.000 0.000 0.268 62 L C 1.449 178.316 176.870 -0.005 0.000 1.032 62 L CA -0.347 54.491 54.840 -0.004 0.000 0.805 62 L CB 1.473 43.534 42.059 0.003 0.000 1.253 62 L HN 0.739 nan 8.230 nan 0.000 0.452 63 E N 0.130 120.330 120.200 0.001 0.000 2.042 63 E HA -0.115 4.235 4.350 -0.000 0.000 0.189 63 E C 0.360 176.965 176.600 0.008 0.000 0.974 63 E CA 0.052 56.453 56.400 0.001 0.000 0.806 63 E CB 0.259 29.961 29.700 0.004 0.000 0.769 63 E HN 0.639 nan 8.360 nan 0.000 0.451 64 D N 1.029 121.444 120.400 0.025 0.000 2.531 64 D HA -0.094 4.546 4.640 -0.000 0.000 0.239 64 D C 0.725 177.048 176.300 0.038 0.000 1.144 64 D CA 0.163 54.195 54.000 0.053 0.000 0.869 64 D CB 0.924 41.769 40.800 0.075 0.000 1.160 64 D HN 0.017 nan 8.370 nan 0.000 0.484 65 K N 3.588 123.996 120.400 0.014 0.000 2.147 65 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 65 K C 1.846 178.330 176.600 -0.193 0.000 1.049 65 K CA 0.951 57.163 56.287 -0.126 0.000 0.936 65 K CB -0.226 32.126 32.500 -0.248 0.000 0.722 65 K HN 0.522 nan 8.250 nan 0.000 0.446 66 F N 1.506 121.442 119.950 -0.023 0.000 2.234 66 F HA -0.034 4.493 4.527 -0.000 0.000 0.296 66 F C 2.277 178.064 175.800 -0.022 0.000 1.089 66 F CA 0.823 58.806 58.000 -0.028 0.000 1.343 66 F CB -0.172 38.809 39.000 -0.032 0.000 1.040 66 F HN 0.076 nan 8.300 nan 0.000 0.498 67 E N 0.163 120.451 120.200 0.147 0.000 2.047 67 E HA -0.229 4.121 4.350 -0.000 0.000 0.191 67 E C 1.813 178.434 176.600 0.034 0.000 0.987 67 E CA 1.251 57.697 56.400 0.075 0.000 0.799 67 E CB -0.354 29.379 29.700 0.056 0.000 0.752 67 E HN 0.239 nan 8.360 nan 0.000 0.449 68 N N 1.013 119.721 118.700 0.013 0.000 2.021 68 N HA -0.224 4.516 4.740 -0.000 0.000 0.198 68 N C 1.778 177.276 175.510 -0.019 0.000 1.041 68 N CA 1.715 54.759 53.050 -0.011 0.000 0.862 68 N CB -0.157 38.312 38.487 -0.030 0.000 1.048 68 N HN 0.070 nan 8.380 nan 0.000 0.427 69 M N -0.724 118.854 119.600 -0.036 0.000 2.108 69 M HA -0.169 4.311 4.480 -0.000 0.000 0.257 69 M C 2.136 178.430 176.300 -0.010 0.000 1.071 69 M CA 2.041 57.316 55.300 -0.041 0.000 1.093 69 M CB -0.744 31.814 32.600 -0.069 0.000 1.345 69 M HN 0.382 nan 8.290 nan 0.000 0.403 70 G N -0.731 108.077 108.800 0.013 0.000 2.402 70 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.216 70 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.216 70 G C 1.580 176.485 174.900 0.008 0.000 1.162 70 G CA 0.889 46.001 45.100 0.019 0.000 0.777 70 G HN 0.562 nan 8.290 nan 0.000 0.539 71 A N 0.138 122.961 122.820 0.005 0.000 1.872 71 A HA -0.006 4.314 4.320 -0.000 0.000 0.214 71 A C 2.344 179.922 177.584 -0.010 0.000 1.187 71 A CA 1.628 53.664 52.037 -0.001 0.000 0.614 71 A CB -0.298 18.701 19.000 -0.002 0.000 0.826 71 A HN 0.294 nan 8.150 nan 0.000 0.442 72 Q N -0.767 119.024 119.800 -0.015 0.000 2.364 72 Q HA -0.000 4.340 4.340 -0.000 0.000 0.207 72 Q C 1.955 177.942 176.000 -0.022 0.000 0.970 72 Q CA 0.939 56.729 55.803 -0.022 0.000 0.888 72 Q CB -0.351 28.371 28.738 -0.027 0.000 0.951 72 Q HN 0.749 nan 8.270 nan 0.000 0.469 73 M N -0.041 119.549 119.600 -0.016 0.000 2.200 73 M HA -0.111 4.369 4.480 -0.000 0.000 0.265 73 M C 2.134 178.427 176.300 -0.013 0.000 1.066 73 M CA 1.116 56.408 55.300 -0.013 0.000 1.127 73 M CB 0.043 32.641 32.600 -0.004 0.000 1.379 73 M HN 0.117 nan 8.290 nan 0.000 0.420 74 V N -2.825 117.084 119.914 -0.009 0.000 2.725 74 V HA -0.061 4.059 4.120 -0.000 0.000 0.247 74 V C 2.063 178.144 176.094 -0.022 0.000 1.058 74 V CA 1.043 63.339 62.300 -0.008 0.000 1.080 74 V CB -0.910 30.915 31.823 0.002 0.000 0.713 74 V HN 0.356 nan 8.190 nan 0.000 0.465 75 K N 0.752 121.138 120.400 -0.024 0.000 2.001 75 K HA -0.302 4.018 4.320 -0.000 0.000 0.214 75 K C 2.383 178.953 176.600 -0.051 0.000 1.050 75 K CA 2.402 58.670 56.287 -0.033 0.000 0.934 75 K CB -0.304 32.179 32.500 -0.028 0.000 0.718 75 K HN 0.658 nan 8.250 nan 0.000 0.443 76 E N 0.149 120.316 120.200 -0.054 0.000 2.150 76 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 76 E C 1.603 178.132 176.600 -0.118 0.000 0.985 76 E CA 1.066 57.422 56.400 -0.074 0.000 0.814 76 E CB 0.262 29.927 29.700 -0.058 0.000 0.752 76 E HN 0.180 nan 8.360 nan 0.000 0.466 77 V N 0.469 120.316 119.914 -0.111 0.000 3.406 77 V HA 0.022 4.142 4.120 -0.000 0.000 0.263 77 V C 1.986 177.953 176.094 -0.212 0.000 1.172 77 V CA 1.064 63.258 62.300 -0.177 0.000 1.140 77 V CB 0.295 32.083 31.823 -0.058 0.000 0.784 77 V HN 0.292 nan 8.190 nan 0.000 0.467 78 A N 0.611 123.358 122.820 -0.122 0.000 2.081 78 A HA -0.026 4.294 4.320 -0.000 0.000 0.214 78 A C 2.370 179.889 177.584 -0.108 0.000 1.158 78 A CA 1.211 53.198 52.037 -0.085 0.000 0.724 78 A CB -0.250 18.727 19.000 -0.038 0.000 0.826 78 A HN 0.600 nan 8.150 nan 0.000 0.463 79 S N -0.091 115.533 115.700 -0.128 0.000 2.489 79 S HA -0.003 4.467 4.470 -0.000 0.000 0.228 79 S C 1.536 176.036 174.600 -0.165 0.000 0.995 79 S CA 0.900 59.029 58.200 -0.117 0.000 0.934 79 S CB -0.230 62.917 63.200 -0.089 0.000 0.771 79 S HN 0.551 nan 8.310 nan 0.000 0.522 80 K N 1.120 121.341 120.400 -0.298 0.000 2.296 80 K HA 0.257 4.577 4.320 -0.000 0.000 0.200 80 K C 2.149 178.543 176.600 -0.343 0.000 1.048 80 K CA 0.784 56.814 56.287 -0.427 0.000 0.966 80 K CB -0.234 31.769 32.500 -0.828 0.000 0.754 80 K HN 0.503 nan 8.250 nan 0.000 0.466 81 A N 1.034 123.718 122.820 -0.227 0.000 2.067 81 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 81 A C 1.695 179.301 177.584 0.035 0.000 1.156 81 A CA 1.152 53.228 52.037 0.065 0.000 0.683 81 A CB -0.307 18.770 19.000 0.129 0.000 0.808 81 A HN 0.268 nan 8.150 nan 0.000 0.455 82 N N -0.732 117.950 118.700 -0.030 0.000 2.409 82 N HA -0.052 4.688 4.740 -0.000 0.000 0.174 82 N C 0.920 176.398 175.510 -0.052 0.000 1.037 82 N CA 0.650 53.677 53.050 -0.038 0.000 0.898 82 N CB 0.130 38.583 38.487 -0.056 0.000 1.010 82 N HN 0.261 nan 8.380 nan 0.000 0.445 83 D N 0.373 120.744 120.400 -0.048 0.000 2.084 83 D HA -0.078 4.562 4.640 -0.000 0.000 0.196 83 D C 1.793 178.114 176.300 0.036 0.000 0.985 83 D CA 1.250 55.232 54.000 -0.029 0.000 0.826 83 D CB -0.468 40.307 40.800 -0.041 0.000 0.978 83 D HN 0.323 nan 8.370 nan 0.000 0.456 84 A N 0.224 123.082 122.820 0.064 0.000 1.930 84 A HA 0.144 4.464 4.320 -0.000 0.000 0.217 84 A C 2.074 179.727 177.584 0.115 0.000 1.175 84 A CA 2.186 54.287 52.037 0.108 0.000 0.627 84 A CB -0.219 18.880 19.000 0.166 0.000 0.815 84 A HN 0.259 nan 8.150 nan 0.000 0.443 85 A N -3.496 119.385 122.820 0.102 0.000 2.074 85 A HA 0.474 4.794 4.320 -0.000 0.000 0.200 85 A C 1.861 179.510 177.584 0.108 0.000 1.335 85 A CA 1.106 53.204 52.037 0.102 0.000 0.922 85 A CB -0.094 18.954 19.000 0.079 0.000 0.972 85 A HN 1.780 nan 8.150 nan 0.000 0.475 86 G N -1.060 107.757 108.800 0.028 0.000 2.279 86 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.223 86 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.223 86 G C -0.163 174.708 174.900 -0.047 0.000 1.015 86 G CA 0.483 45.542 45.100 -0.068 0.000 0.621 86 G HN 0.892 nan 8.290 nan 0.000 0.506 87 D N -1.383 119.014 120.400 -0.004 0.000 2.977 87 D HA 0.603 5.243 4.640 -0.000 0.000 0.220 87 D C 0.564 176.872 176.300 0.012 0.000 1.267 87 D CA 0.801 54.798 54.000 -0.004 0.000 0.884 87 D CB 0.951 41.751 40.800 -0.000 0.000 1.667 87 D HN 1.170 nan 8.370 nan 0.000 0.536 88 G N 1.552 110.357 108.800 0.008 0.000 3.732 88 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.220 88 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.220 88 G C 1.027 175.938 174.900 0.017 0.000 0.903 88 G CA 0.399 45.512 45.100 0.022 0.000 0.896 88 G HN 0.501 nan 8.290 nan 0.000 0.685 89 T N 1.506 116.060 114.554 -0.001 0.000 2.674 89 T HA -0.103 4.247 4.350 -0.000 0.000 0.265 89 T C 2.634 177.332 174.700 -0.004 0.000 1.039 89 T CA 2.398 64.492 62.100 -0.011 0.000 1.150 89 T CB -0.552 68.301 68.868 -0.025 0.000 0.864 89 T HN 0.337 nan 8.240 nan 0.000 0.427 90 T N 1.936 116.487 114.554 -0.004 0.000 2.699 90 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 90 T C 2.201 176.903 174.700 0.005 0.000 1.036 90 T CA 1.851 63.950 62.100 -0.002 0.000 1.147 90 T CB -0.757 68.109 68.868 -0.003 0.000 0.862 90 T HN 0.431 nan 8.240 nan 0.000 0.446 91 T N 1.724 116.284 114.554 0.010 0.000 2.852 91 T HA 0.199 4.549 4.350 -0.000 0.000 0.256 91 T C 2.532 177.246 174.700 0.023 0.000 1.038 91 T CA 0.813 62.923 62.100 0.016 0.000 1.141 91 T CB -0.658 68.220 68.868 0.017 0.000 0.869 91 T HN 0.415 nan 8.240 nan 0.000 0.439 92 A N 1.956 124.795 122.820 0.032 0.000 1.903 92 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 92 A C 2.502 180.105 177.584 0.032 0.000 1.191 92 A CA 2.530 54.594 52.037 0.045 0.000 0.638 92 A CB -1.586 17.450 19.000 0.059 0.000 0.823 92 A HN 0.517 nan 8.150 nan 0.000 0.451 93 T N 0.190 114.756 114.554 0.019 0.000 2.595 93 T HA -0.196 4.154 4.350 -0.000 0.000 0.264 93 T C 1.974 176.683 174.700 0.014 0.000 1.058 93 T CA 2.644 64.752 62.100 0.013 0.000 1.166 93 T CB -1.267 67.603 68.868 0.004 0.000 0.863 93 T HN 0.858 nan 8.240 nan 0.000 0.415 94 V N 0.668 120.590 119.914 0.013 0.000 2.568 94 V HA -0.099 4.021 4.120 -0.000 0.000 0.253 94 V C 2.294 178.397 176.094 0.015 0.000 1.072 94 V CA 1.414 63.721 62.300 0.012 0.000 1.084 94 V CB -1.336 30.493 31.823 0.011 0.000 0.676 94 V HN 0.422 nan 8.190 nan 0.000 0.469 95 L N 0.650 121.885 121.223 0.019 0.000 1.994 95 L HA -0.053 4.287 4.340 -0.000 0.000 0.208 95 L C 3.083 179.966 176.870 0.022 0.000 1.071 95 L CA 1.832 56.685 54.840 0.021 0.000 0.745 95 L CB -0.950 41.125 42.059 0.027 0.000 0.892 95 L HN 0.409 nan 8.230 nan 0.000 0.431 96 A N -0.747 122.088 122.820 0.025 0.000 1.908 96 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 96 A C 2.248 179.844 177.584 0.019 0.000 1.181 96 A CA 1.994 54.045 52.037 0.025 0.000 0.627 96 A CB -0.631 18.385 19.000 0.026 0.000 0.818 96 A HN 0.517 nan 8.150 nan 0.000 0.445 97 Q N -0.712 119.098 119.800 0.016 0.000 2.050 97 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 97 Q C 2.296 178.304 176.000 0.013 0.000 0.980 97 Q CA 1.615 57.426 55.803 0.013 0.000 0.840 97 Q CB -0.352 28.393 28.738 0.011 0.000 0.898 97 Q HN 0.620 nan 8.270 nan 0.000 0.424 98 A N 0.635 123.463 122.820 0.013 0.000 1.908 98 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 98 A C 1.940 179.531 177.584 0.012 0.000 1.181 98 A CA 1.611 53.655 52.037 0.012 0.000 0.627 98 A CB -0.673 18.335 19.000 0.012 0.000 0.818 98 A HN 0.477 nan 8.150 nan 0.000 0.445 99 I N -0.737 119.842 120.570 0.014 0.000 2.233 99 I HA -0.177 3.993 4.170 -0.000 0.000 0.243 99 I C 2.259 178.384 176.117 0.014 0.000 1.093 99 I CA 1.109 62.417 61.300 0.014 0.000 1.380 99 I CB -0.355 37.655 38.000 0.016 0.000 1.067 99 I HN 0.239 nan 8.210 nan 0.000 0.413 100 I N 0.559 121.139 120.570 0.015 0.000 2.226 100 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 100 I C 2.549 178.674 176.117 0.013 0.000 1.100 100 I CA 1.554 62.863 61.300 0.015 0.000 1.374 100 I CB -0.603 37.407 38.000 0.016 0.000 1.057 100 I HN 0.240 nan 8.210 nan 0.000 0.413 101 T N 0.031 114.592 114.554 0.012 0.000 2.708 101 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 101 T C 1.744 176.449 174.700 0.009 0.000 1.037 101 T CA 1.179 63.285 62.100 0.010 0.000 1.146 101 T CB -0.164 68.710 68.868 0.009 0.000 0.865 101 T HN 0.272 nan 8.240 nan 0.000 0.435 102 E N 0.439 120.645 120.200 0.009 0.000 2.358 102 E HA 0.076 4.426 4.350 -0.000 0.000 0.195 102 E C 2.272 178.877 176.600 0.009 0.000 1.010 102 E CA 0.466 56.872 56.400 0.009 0.000 0.856 102 E CB -0.310 29.395 29.700 0.009 0.000 0.795 102 E HN 0.591 nan 8.360 nan 0.000 0.504 103 G N 0.645 109.451 108.800 0.010 0.000 2.486 103 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.210 103 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.210 103 G C 1.687 176.593 174.900 0.011 0.000 1.168 103 G CA -0.174 44.932 45.100 0.011 0.000 0.820 103 G HN 0.111 nan 8.290 nan 0.000 0.544 104 L N 0.378 121.608 121.223 0.011 0.000 2.051 104 L HA -0.179 4.161 4.340 -0.000 0.000 0.214 104 L C 2.902 179.777 176.870 0.009 0.000 1.076 104 L CA 1.560 56.406 54.840 0.011 0.000 0.758 104 L CB -0.418 41.647 42.059 0.011 0.000 0.890 104 L HN 0.191 nan 8.230 nan 0.000 0.433 105 K N -0.227 120.178 120.400 0.008 0.000 2.113 105 K HA -0.216 4.104 4.320 -0.000 0.000 0.208 105 K C 2.178 178.782 176.600 0.007 0.000 1.047 105 K CA 1.530 57.821 56.287 0.007 0.000 0.928 105 K CB -0.196 32.308 32.500 0.006 0.000 0.716 105 K HN 0.355 nan 8.250 nan 0.000 0.446 106 A N 0.564 123.388 122.820 0.007 0.000 1.872 106 A HA -0.094 4.226 4.320 -0.000 0.000 0.214 106 A C 2.304 179.893 177.584 0.008 0.000 1.187 106 A CA 1.239 53.280 52.037 0.007 0.000 0.614 106 A CB -0.491 18.514 19.000 0.008 0.000 0.826 106 A HN 0.067 nan 8.150 nan 0.000 0.442 107 V N 0.030 119.949 119.914 0.009 0.000 2.237 107 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 107 V C 3.082 179.182 176.094 0.010 0.000 1.046 107 V CA 1.967 64.273 62.300 0.010 0.000 1.007 107 V CB -1.388 30.443 31.823 0.013 0.000 0.638 107 V HN 0.592 nan 8.190 nan 0.000 0.445 108 A N 0.103 122.928 122.820 0.009 0.000 1.986 108 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 108 A C 2.400 179.988 177.584 0.006 0.000 1.171 108 A CA 2.306 54.347 52.037 0.007 0.000 0.640 108 A CB -0.837 18.167 19.000 0.006 0.000 0.811 108 A HN 0.632 nan 8.150 nan 0.000 0.451 109 A N -1.722 121.101 122.820 0.005 0.000 1.940 109 A HA 0.296 4.616 4.320 -0.000 0.000 0.219 109 A C 1.908 179.495 177.584 0.004 0.000 1.176 109 A CA 1.883 53.923 52.037 0.004 0.000 0.631 109 A CB -0.870 18.133 19.000 0.004 0.000 0.814 109 A HN 2.057 nan 8.150 nan 0.000 0.446 110 G N -2.398 106.405 108.800 0.006 0.000 2.245 110 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.130 110 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.130 110 G C -0.172 174.731 174.900 0.006 0.000 1.040 110 G CA 0.045 45.148 45.100 0.006 0.000 0.713 110 G HN 0.318 nan 8.290 nan 0.000 0.488 111 M N 0.741 120.345 119.600 0.007 0.000 2.436 111 M HA 0.352 4.832 4.480 -0.000 0.000 0.331 111 M C 0.329 176.634 176.300 0.008 0.000 1.135 111 M CA -0.802 54.502 55.300 0.007 0.000 0.987 111 M CB 1.333 33.937 32.600 0.006 0.000 1.687 111 M HN 0.190 nan 8.290 nan 0.000 0.445 112 N N 3.334 122.039 118.700 0.008 0.000 2.468 112 N HA 0.076 4.816 4.740 -0.000 0.000 0.265 112 N C -2.122 173.394 175.510 0.011 0.000 1.199 112 N CA -0.919 52.137 53.050 0.010 0.000 0.928 112 N CB 1.234 39.726 38.487 0.009 0.000 1.059 112 N HN 0.306 nan 8.380 nan 0.000 0.467 113 P HA -0.058 nan 4.420 nan 0.000 0.219 113 P C 1.543 178.850 177.300 0.013 0.000 1.150 113 P CA 1.042 64.150 63.100 0.014 0.000 0.814 113 P CB 0.265 31.975 31.700 0.017 0.000 0.787 114 M N -0.705 118.903 119.600 0.012 0.000 2.156 114 M HA -0.076 4.404 4.480 -0.000 0.000 0.264 114 M C 1.281 177.586 176.300 0.009 0.000 1.067 114 M CA 1.560 56.866 55.300 0.011 0.000 1.131 114 M CB -1.425 31.182 32.600 0.011 0.000 1.368 114 M HN -0.038 nan 8.290 nan 0.000 0.416 115 D N 0.456 120.861 120.400 0.008 0.000 2.224 115 D HA -0.012 4.628 4.640 -0.000 0.000 0.205 115 D C 2.244 178.548 176.300 0.007 0.000 0.965 115 D CA 0.819 54.823 54.000 0.007 0.000 0.852 115 D CB 0.006 40.810 40.800 0.006 0.000 0.947 115 D HN 0.319 nan 8.370 nan 0.000 0.494 116 L N 0.635 121.863 121.223 0.008 0.000 2.072 116 L HA -0.102 4.238 4.340 -0.000 0.000 0.205 116 L C 2.509 179.384 176.870 0.009 0.000 1.079 116 L CA 0.936 55.781 54.840 0.008 0.000 0.752 116 L CB -0.197 41.868 42.059 0.010 0.000 0.906 116 L HN -0.069 nan 8.230 nan 0.000 0.436 117 K N 0.425 120.831 120.400 0.009 0.000 2.057 117 K HA -0.219 4.101 4.320 -0.000 0.000 0.206 117 K C 2.322 178.926 176.600 0.007 0.000 1.050 117 K CA 1.342 57.635 56.287 0.009 0.000 0.935 117 K CB -0.005 32.501 32.500 0.011 0.000 0.715 117 K HN 0.070 nan 8.250 nan 0.000 0.439 118 R N -0.280 120.224 120.500 0.006 0.000 2.120 118 R HA -0.077 4.263 4.340 -0.000 0.000 0.234 118 R C 2.238 178.540 176.300 0.003 0.000 1.123 118 R CA 1.432 57.534 56.100 0.004 0.000 0.975 118 R CB -0.355 29.947 30.300 0.004 0.000 0.866 118 R HN 0.413 nan 8.270 nan 0.000 0.446 119 G N 0.424 109.226 108.800 0.004 0.000 2.408 119 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 119 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 119 G C 1.360 176.262 174.900 0.004 0.000 1.150 119 G CA 0.571 45.673 45.100 0.004 0.000 0.776 119 G HN 0.241 nan 8.290 nan 0.000 0.542 120 I N 0.910 121.483 120.570 0.005 0.000 2.406 120 I HA -0.048 4.122 4.170 -0.000 0.000 0.249 120 I C 2.089 178.207 176.117 0.002 0.000 1.122 120 I CA 0.822 62.125 61.300 0.005 0.000 1.431 120 I CB -0.113 37.892 38.000 0.007 0.000 1.087 120 I HN 0.007 nan 8.210 nan 0.000 0.424 121 D N 1.202 121.602 120.400 0.000 0.000 2.097 121 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 121 D C 2.052 178.348 176.300 -0.006 0.000 0.984 121 D CA 1.159 55.157 54.000 -0.005 0.000 0.826 121 D CB -0.290 40.507 40.800 -0.004 0.000 0.973 121 D HN 0.206 nan 8.370 nan 0.000 0.460 122 K N 0.570 120.968 120.400 -0.003 0.000 2.152 122 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 122 K C 1.948 178.547 176.600 -0.003 0.000 1.048 122 K CA 1.097 57.382 56.287 -0.003 0.000 0.933 122 K CB 0.005 32.504 32.500 -0.001 0.000 0.721 122 K HN 0.037 nan 8.250 nan 0.000 0.447 123 A N 0.231 123.051 122.820 -0.001 0.000 1.930 123 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 123 A C 2.070 179.653 177.584 -0.002 0.000 1.175 123 A CA 1.325 53.362 52.037 0.000 0.000 0.627 123 A CB -0.201 18.800 19.000 0.003 0.000 0.815 123 A HN 0.154 nan 8.150 nan 0.000 0.443 124 V N -0.533 119.378 119.914 -0.006 0.000 2.788 124 V HA -0.111 4.009 4.120 -0.000 0.000 0.251 124 V C 2.549 178.633 176.094 -0.016 0.000 1.068 124 V CA 2.006 64.300 62.300 -0.011 0.000 1.090 124 V CB -0.820 30.994 31.823 -0.017 0.000 0.710 124 V HN 0.578 nan 8.190 nan 0.000 0.467 125 T N 1.012 115.557 114.554 -0.015 0.000 2.701 125 T HA -0.111 4.239 4.350 -0.000 0.000 0.263 125 T C 2.107 176.800 174.700 -0.011 0.000 1.040 125 T CA 1.624 63.714 62.100 -0.016 0.000 1.147 125 T CB -0.397 68.463 68.868 -0.014 0.000 0.865 125 T HN 0.527 nan 8.240 nan 0.000 0.426 126 A N 1.225 124.041 122.820 -0.006 0.000 2.019 126 A HA 0.239 4.559 4.320 -0.000 0.000 0.219 126 A C 2.530 180.113 177.584 -0.001 0.000 1.164 126 A CA 1.627 53.663 52.037 -0.003 0.000 0.644 126 A CB -0.851 18.148 19.000 -0.001 0.000 0.805 126 A HN 0.505 nan 8.150 nan 0.000 0.449 127 A N -0.607 122.212 122.820 -0.002 0.000 1.897 127 A HA 0.084 4.404 4.320 -0.000 0.000 0.215 127 A C 2.144 179.727 177.584 -0.003 0.000 1.181 127 A CA 1.468 53.504 52.037 -0.000 0.000 0.620 127 A CB -0.767 18.233 19.000 -0.000 0.000 0.821 127 A HN 0.346 nan 8.150 nan 0.000 0.443 128 V N 0.145 120.053 119.914 -0.009 0.000 2.407 128 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 128 V C 2.514 178.603 176.094 -0.007 0.000 1.055 128 V CA 2.311 64.604 62.300 -0.012 0.000 1.049 128 V CB -0.751 31.059 31.823 -0.023 0.000 0.662 128 V HN 0.499 nan 8.190 nan 0.000 0.455 129 E N -0.058 120.139 120.200 -0.005 0.000 2.150 129 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 129 E C 2.157 178.758 176.600 0.002 0.000 0.985 129 E CA 0.947 57.346 56.400 -0.002 0.000 0.814 129 E CB -0.189 29.509 29.700 -0.002 0.000 0.752 129 E HN 0.592 nan 8.360 nan 0.000 0.466 130 E N -0.595 119.607 120.200 0.003 0.000 2.371 130 E HA -0.001 4.348 4.350 -0.000 0.000 0.194 130 E C 1.507 178.113 176.600 0.009 0.000 1.012 130 E CA 0.133 56.537 56.400 0.007 0.000 0.860 130 E CB 0.009 29.715 29.700 0.009 0.000 0.811 130 E HN 0.153 nan 8.360 nan 0.000 0.502 131 L N 0.135 121.362 121.223 0.007 0.000 2.341 131 L HA 0.083 4.423 4.340 -0.000 0.000 0.214 131 L C 1.552 178.426 176.870 0.007 0.000 1.115 131 L CA 1.293 56.137 54.840 0.008 0.000 0.820 131 L CB 0.063 42.126 42.059 0.005 0.000 0.944 131 L HN -0.063 nan 8.230 nan 0.000 0.452 132 K N -0.878 119.525 120.400 0.005 0.000 2.116 132 K HA 0.061 4.381 4.320 -0.000 0.000 0.203 132 K C 2.081 178.685 176.600 0.007 0.000 1.052 132 K CA 0.961 57.251 56.287 0.005 0.000 0.952 132 K CB -0.181 32.320 32.500 0.002 0.000 0.729 132 K HN 0.366 nan 8.250 nan 0.000 0.446 133 A N 1.539 124.364 122.820 0.008 0.000 1.898 133 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 133 A C 2.036 179.628 177.584 0.013 0.000 1.181 133 A CA 0.979 53.022 52.037 0.009 0.000 0.620 133 A CB -0.576 18.429 19.000 0.009 0.000 0.819 133 A HN 0.231 nan 8.150 nan 0.000 0.442 134 L N -0.025 121.206 121.223 0.015 0.000 2.353 134 L HA -0.040 4.300 4.340 -0.000 0.000 0.220 134 L C 1.222 178.102 176.870 0.017 0.000 1.133 134 L CA 0.419 55.270 54.840 0.019 0.000 0.798 134 L CB -0.115 41.957 42.059 0.021 0.000 0.922 134 L HN 0.363 nan 8.230 nan 0.000 0.445 135 S N -0.246 115.462 115.700 0.013 0.000 2.498 135 S HA 0.129 4.599 4.470 -0.000 0.000 0.281 135 S C -0.141 174.466 174.600 0.011 0.000 1.265 135 S CA -0.592 57.614 58.200 0.011 0.000 1.071 135 S CB 0.554 63.760 63.200 0.009 0.000 0.894 135 S HN 0.045 nan 8.310 nan 0.000 0.491 136 V N 9.300 129.221 119.914 0.012 0.000 2.368 136 V HA 0.307 4.427 4.120 -0.000 0.000 0.266 136 V C -2.006 174.093 176.094 0.008 0.000 1.045 136 V CA -1.827 60.479 62.300 0.011 0.000 0.899 136 V CB 0.665 32.495 31.823 0.012 0.000 1.006 136 V HN 0.732 nan 8.190 nan 0.000 0.470 137 P HA 0.102 nan 4.420 nan 0.000 0.268 137 P C -0.518 176.785 177.300 0.005 0.000 1.205 137 P CA -0.133 62.970 63.100 0.005 0.000 0.771 137 P CB 0.437 32.140 31.700 0.005 0.000 0.858 138 C N 3.300 122.602 119.300 0.003 0.000 2.521 138 C HA 0.447 4.907 4.460 -0.000 0.000 0.291 138 C C 1.215 176.205 174.990 0.000 0.000 1.074 138 C CA 0.184 59.204 59.018 0.002 0.000 1.495 138 C CB -1.190 26.551 27.740 0.002 0.000 1.862 138 C HN 0.585 nan 8.230 nan 0.000 0.418 139 S N 1.754 117.455 115.700 0.000 0.000 2.891 139 S HA 0.112 4.582 4.470 -0.000 0.000 0.247 139 S C 0.365 174.964 174.600 -0.001 0.000 1.063 139 S CA 0.076 58.276 58.200 -0.001 0.000 0.857 139 S CB -0.068 63.132 63.200 0.000 0.000 0.800 139 S HN 0.943 nan 8.310 nan 0.000 0.540 140 D N 1.995 122.394 120.400 -0.001 0.000 2.360 140 D HA 0.089 4.729 4.640 -0.000 0.000 0.242 140 D C 0.902 177.201 176.300 -0.002 0.000 1.184 140 D CA 0.272 54.272 54.000 -0.001 0.000 0.930 140 D CB 0.707 41.507 40.800 -0.000 0.000 1.161 140 D HN 0.237 nan 8.370 nan 0.000 0.447 141 S N -0.068 115.631 115.700 -0.002 0.000 2.522 141 S HA -0.147 4.323 4.470 -0.000 0.000 0.227 141 S C 1.559 176.158 174.600 -0.002 0.000 0.986 141 S CA 0.555 58.753 58.200 -0.003 0.000 0.929 141 S CB -0.231 62.967 63.200 -0.003 0.000 0.769 141 S HN 0.636 nan 8.310 nan 0.000 0.529 142 K N 1.808 122.207 120.400 -0.001 0.000 2.031 142 K HA 0.078 4.398 4.320 -0.000 0.000 0.205 142 K C 2.291 178.890 176.600 -0.001 0.000 1.049 142 K CA 1.063 57.349 56.287 -0.001 0.000 0.939 142 K CB -0.588 31.912 32.500 -0.000 0.000 0.717 142 K HN 0.384 nan 8.250 nan 0.000 0.438 143 A N 1.397 124.217 122.820 -0.000 0.000 1.898 143 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 143 A C 2.036 179.620 177.584 -0.001 0.000 1.181 143 A CA 1.294 53.331 52.037 0.000 0.000 0.620 143 A CB -0.544 18.457 19.000 0.001 0.000 0.819 143 A HN 0.366 nan 8.150 nan 0.000 0.442 144 I N -0.435 120.134 120.570 -0.002 0.000 2.614 144 I HA -0.223 3.947 4.170 -0.000 0.000 0.258 144 I C 2.620 178.735 176.117 -0.002 0.000 1.189 144 I CA 0.893 62.191 61.300 -0.003 0.000 1.462 144 I CB -0.118 37.879 38.000 -0.004 0.000 1.092 144 I HN 0.370 nan 8.210 nan 0.000 0.442 145 A N -0.312 122.507 122.820 -0.002 0.000 2.044 145 A HA -0.052 4.268 4.320 -0.000 0.000 0.213 145 A C 2.222 179.805 177.584 -0.002 0.000 1.169 145 A CA 0.463 52.499 52.037 -0.002 0.000 0.724 145 A CB -0.122 18.877 19.000 -0.002 0.000 0.840 145 A HN 0.344 nan 8.150 nan 0.000 0.463 146 Q N -0.367 119.432 119.800 -0.001 0.000 2.020 146 Q HA -0.079 4.261 4.340 -0.000 0.000 0.198 146 Q C 2.141 178.140 176.000 -0.002 0.000 0.974 146 Q CA 1.597 57.399 55.803 -0.002 0.000 0.829 146 Q CB -0.260 28.477 28.738 -0.001 0.000 0.894 146 Q HN 0.431 nan 8.270 nan 0.000 0.433 147 V N 0.625 120.539 119.914 -0.001 0.000 2.255 147 V HA -0.254 3.866 4.120 -0.000 0.000 0.247 147 V C 2.268 178.363 176.094 0.001 0.000 1.051 147 V CA 2.112 64.412 62.300 0.001 0.000 1.018 147 V CB -1.285 30.539 31.823 0.002 0.000 0.641 147 V HN 0.581 nan 8.190 nan 0.000 0.445 148 G N -0.793 108.008 108.800 0.001 0.000 2.442 148 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.219 148 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.219 148 G C 1.678 176.579 174.900 0.001 0.000 1.141 148 G CA 1.634 46.736 45.100 0.002 0.000 0.763 148 G HN 0.481 nan 8.290 nan 0.000 0.554 149 T N 1.032 115.586 114.554 -0.001 0.000 2.821 149 T HA 0.002 4.352 4.350 -0.000 0.000 0.267 149 T C 2.376 177.074 174.700 -0.004 0.000 1.046 149 T CA 0.904 63.002 62.100 -0.003 0.000 1.139 149 T CB -0.091 68.775 68.868 -0.004 0.000 0.871 149 T HN 0.286 nan 8.240 nan 0.000 0.454 150 I N 0.984 121.552 120.570 -0.004 0.000 2.406 150 I HA -0.076 4.094 4.170 -0.000 0.000 0.249 150 I C 2.467 178.581 176.117 -0.005 0.000 1.122 150 I CA 0.726 62.022 61.300 -0.007 0.000 1.431 150 I CB -0.229 37.766 38.000 -0.008 0.000 1.087 150 I HN 0.124 nan 8.210 nan 0.000 0.424 151 S N 0.957 116.657 115.700 -0.000 0.000 2.447 151 S HA -0.034 4.436 4.470 -0.000 0.000 0.233 151 S C 1.804 176.407 174.600 0.003 0.000 1.006 151 S CA 1.126 59.328 58.200 0.004 0.000 0.957 151 S CB -0.176 63.031 63.200 0.011 0.000 0.773 151 S HN 0.526 nan 8.310 nan 0.000 0.507 152 A N 0.892 123.712 122.820 0.001 0.000 2.430 152 A HA 0.456 4.776 4.320 -0.000 0.000 0.243 152 A C 0.583 178.165 177.584 -0.003 0.000 1.254 152 A CA -0.214 51.823 52.037 0.001 0.000 0.914 152 A CB -0.302 18.699 19.000 0.002 0.000 0.998 152 A HN 0.390 nan 8.150 nan 0.000 0.515 153 N N -0.648 118.048 118.700 -0.006 0.000 2.846 153 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 153 N C 0.128 175.633 175.510 -0.009 0.000 1.090 153 N CA 0.963 54.007 53.050 -0.009 0.000 0.674 153 N CB -1.908 36.573 38.487 -0.009 0.000 0.938 153 N HN 0.406 nan 8.380 nan 0.000 0.559 154 S N -1.200 114.495 115.700 -0.009 0.000 3.586 154 S HA -0.238 4.232 4.470 -0.000 0.000 0.309 154 S C -0.402 174.194 174.600 -0.007 0.000 1.195 154 S CA 1.027 59.221 58.200 -0.009 0.000 0.895 154 S CB -0.986 62.208 63.200 -0.012 0.000 0.983 154 S HN 0.809 nan 8.310 nan 0.000 0.563 155 D N 0.833 121.230 120.400 -0.006 0.000 2.427 155 D HA 0.391 5.031 4.640 -0.000 0.000 0.226 155 D C 0.963 177.261 176.300 -0.004 0.000 1.076 155 D CA -0.488 53.510 54.000 -0.004 0.000 0.849 155 D CB 0.719 41.517 40.800 -0.004 0.000 1.052 155 D HN 0.314 nan 8.370 nan 0.000 0.515 156 E N 1.219 121.417 120.200 -0.004 0.000 2.153 156 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 156 E C 1.394 177.992 176.600 -0.003 0.000 0.988 156 E CA 1.096 57.494 56.400 -0.003 0.000 0.811 156 E CB 0.201 29.899 29.700 -0.003 0.000 0.746 156 E HN 0.560 nan 8.360 nan 0.000 0.466 157 T N 0.906 115.458 114.554 -0.003 0.000 2.653 157 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 157 T C 2.114 176.813 174.700 -0.002 0.000 1.035 157 T CA 1.534 63.633 62.100 -0.002 0.000 1.154 157 T CB -0.376 68.491 68.868 -0.002 0.000 0.862 157 T HN 0.015 nan 8.240 nan 0.000 0.441 158 V N 1.379 121.292 119.914 -0.001 0.000 2.379 158 V HA 0.014 4.134 4.120 -0.000 0.000 0.245 158 V C 2.973 179.066 176.094 -0.001 0.000 1.044 158 V CA 1.722 64.022 62.300 -0.000 0.000 1.036 158 V CB -1.454 30.370 31.823 0.001 0.000 0.664 158 V HN 0.600 nan 8.190 nan 0.000 0.453 159 G N -0.399 108.400 108.800 -0.001 0.000 2.450 159 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.220 159 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.220 159 G C 1.654 176.553 174.900 -0.002 0.000 1.130 159 G CA 1.102 46.202 45.100 -0.001 0.000 0.760 159 G HN 0.470 nan 8.290 nan 0.000 0.557 160 K N -0.252 120.147 120.400 -0.002 0.000 2.001 160 K HA 0.098 4.418 4.320 -0.000 0.000 0.208 160 K C 2.543 179.141 176.600 -0.003 0.000 1.048 160 K CA 0.665 56.950 56.287 -0.003 0.000 0.932 160 K CB -0.284 32.214 32.500 -0.003 0.000 0.715 160 K HN 0.291 nan 8.250 nan 0.000 0.437 161 L N 0.934 122.155 121.223 -0.003 0.000 2.021 161 L HA -0.276 4.064 4.340 -0.000 0.000 0.215 161 L C 2.310 179.178 176.870 -0.004 0.000 1.074 161 L CA 1.461 56.299 54.840 -0.003 0.000 0.760 161 L CB -0.347 41.711 42.059 -0.002 0.000 0.889 161 L HN 0.276 nan 8.230 nan 0.000 0.433 162 I N -0.912 119.656 120.570 -0.004 0.000 2.162 162 I HA -0.234 3.936 4.170 -0.000 0.000 0.238 162 I C 2.773 178.886 176.117 -0.007 0.000 1.076 162 I CA 1.034 62.330 61.300 -0.006 0.000 1.353 162 I CB -0.615 37.383 38.000 -0.005 0.000 1.063 162 I HN 0.169 nan 8.210 nan 0.000 0.408 163 A N 0.509 123.326 122.820 -0.006 0.000 1.971 163 A HA -0.289 4.031 4.320 -0.000 0.000 0.222 163 A C 2.196 179.777 177.584 -0.006 0.000 1.182 163 A CA 2.160 54.194 52.037 -0.006 0.000 0.649 163 A CB -0.723 18.274 19.000 -0.004 0.000 0.818 163 A HN 0.530 nan 8.150 nan 0.000 0.458 164 E N -0.798 119.398 120.200 -0.006 0.000 2.072 164 E HA -0.001 4.349 4.350 -0.000 0.000 0.190 164 E C 2.356 178.952 176.600 -0.007 0.000 0.982 164 E CA 0.734 57.131 56.400 -0.006 0.000 0.803 164 E CB -0.258 29.439 29.700 -0.005 0.000 0.755 164 E HN 0.623 nan 8.360 nan 0.000 0.453 165 A N 0.941 123.756 122.820 -0.008 0.000 2.019 165 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 165 A C 2.081 179.658 177.584 -0.012 0.000 1.164 165 A CA 1.232 53.263 52.037 -0.010 0.000 0.644 165 A CB -0.322 18.671 19.000 -0.011 0.000 0.805 165 A HN 0.149 nan 8.150 nan 0.000 0.449 166 M N -1.651 117.942 119.600 -0.012 0.000 2.394 166 M HA -0.030 4.450 4.480 -0.000 0.000 0.266 166 M C 1.625 177.919 176.300 -0.010 0.000 1.098 166 M CA 1.388 56.679 55.300 -0.013 0.000 1.149 166 M CB -0.319 32.273 32.600 -0.014 0.000 1.369 166 M HN 0.394 nan 8.290 nan 0.000 0.450 167 D N 0.704 121.099 120.400 -0.008 0.000 2.269 167 D HA -0.095 4.545 4.640 -0.000 0.000 0.208 167 D C 2.011 178.307 176.300 -0.007 0.000 0.963 167 D CA 0.977 54.972 54.000 -0.007 0.000 0.864 167 D CB 0.377 41.174 40.800 -0.005 0.000 0.936 167 D HN -0.005 nan 8.370 nan 0.000 0.505 168 K N -0.240 120.156 120.400 -0.007 0.000 2.005 168 K HA -0.002 4.318 4.320 -0.000 0.000 0.206 168 K C 2.067 178.663 176.600 -0.007 0.000 1.044 168 K CA 1.238 57.521 56.287 -0.007 0.000 0.942 168 K CB -0.384 32.112 32.500 -0.007 0.000 0.727 168 K HN 0.223 nan 8.250 nan 0.000 0.439 169 V N -2.658 117.251 119.914 -0.009 0.000 3.471 169 V HA 0.332 4.452 4.120 -0.000 0.000 0.258 169 V C 0.932 177.020 176.094 -0.010 0.000 1.192 169 V CA 0.395 62.689 62.300 -0.010 0.000 1.116 169 V CB -0.363 31.453 31.823 -0.012 0.000 0.792 169 V HN 0.401 nan 8.190 nan 0.000 0.459 170 G N 0.677 109.470 108.800 -0.011 0.000 2.498 170 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.651 170 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.651 170 G C 0.009 174.901 174.900 -0.014 0.000 1.284 170 G CA -0.054 45.040 45.100 -0.011 0.000 0.950 170 G HN 0.192 nan 8.290 nan 0.000 0.511 171 K N -0.045 120.347 120.400 -0.013 0.000 2.097 171 K HA -0.012 4.308 4.320 -0.000 0.000 0.205 171 K C 1.800 178.388 176.600 -0.020 0.000 1.050 171 K CA 1.647 57.925 56.287 -0.015 0.000 0.938 171 K CB -0.012 32.481 32.500 -0.011 0.000 0.718 171 K HN 0.453 nan 8.250 nan 0.000 0.442 172 E N 0.465 120.655 120.200 -0.016 0.000 2.474 172 E HA 0.034 4.384 4.350 -0.000 0.000 0.194 172 E C 0.775 177.363 176.600 -0.019 0.000 1.041 172 E CA 0.058 56.447 56.400 -0.017 0.000 0.874 172 E CB 0.251 29.945 29.700 -0.010 0.000 0.914 172 E HN 0.231 nan 8.360 nan 0.000 0.498 173 G N 1.321 110.110 108.800 -0.019 0.000 2.441 173 G HA2 0.187 4.147 3.960 -0.000 0.000 0.243 173 G HA3 0.187 4.147 3.960 -0.000 0.000 0.243 173 G C 0.175 175.059 174.900 -0.026 0.000 1.281 173 G CA -0.404 44.685 45.100 -0.018 0.000 0.854 173 G HN -0.046 nan 8.290 nan 0.000 0.560 174 V N 3.538 123.438 119.914 -0.024 0.000 2.405 174 V HA 0.211 4.331 4.120 -0.000 0.000 0.264 174 V C 0.331 176.406 176.094 -0.031 0.000 1.048 174 V CA 0.102 62.383 62.300 -0.032 0.000 0.966 174 V CB 0.081 31.889 31.823 -0.024 0.000 1.015 174 V HN 0.481 nan 8.190 nan 0.000 0.477 175 I N 4.589 125.136 120.570 -0.040 0.000 2.406 175 I HA 0.516 4.686 4.170 -0.000 0.000 0.290 175 I C 0.357 176.457 176.117 -0.029 0.000 0.999 175 I CA -0.098 61.183 61.300 -0.031 0.000 1.124 175 I CB 1.934 39.915 38.000 -0.031 0.000 1.289 175 I HN 0.458 nan 8.210 nan 0.000 0.441 176 T N 4.824 119.367 114.554 -0.018 0.000 2.949 176 T HA 0.679 5.029 4.350 -0.000 0.000 0.287 176 T C -0.829 173.869 174.700 -0.004 0.000 1.034 176 T CA -0.720 61.374 62.100 -0.010 0.000 1.018 176 T CB 2.532 71.394 68.868 -0.010 0.000 1.135 176 T HN 0.404 nan 8.240 nan 0.000 0.532 177 V N 1.493 121.409 119.914 0.003 0.000 2.777 177 V HA 0.718 4.838 4.120 -0.000 0.000 0.306 177 V C -1.488 174.609 176.094 0.004 0.000 1.112 177 V CA -0.568 61.734 62.300 0.004 0.000 0.917 177 V CB 1.717 33.545 31.823 0.008 0.000 1.018 177 V HN 1.096 nan 8.190 nan 0.000 0.426 178 E N 3.528 123.729 120.200 0.001 0.000 2.433 178 E HA 0.544 4.894 4.350 -0.000 0.000 0.264 178 E C -1.458 175.142 176.600 -0.001 0.000 0.960 178 E CA -1.137 55.264 56.400 0.000 0.000 0.866 178 E CB 1.021 30.719 29.700 -0.002 0.000 1.615 178 E HN 0.509 nan 8.360 nan 0.000 0.442 179 D N -0.055 120.344 120.400 -0.002 0.000 2.378 179 D HA 0.276 4.916 4.640 -0.000 0.000 0.238 179 D C 0.009 176.307 176.300 -0.003 0.000 1.180 179 D CA 0.459 54.458 54.000 -0.002 0.000 0.895 179 D CB 0.811 41.609 40.800 -0.003 0.000 1.192 179 D HN 0.529 nan 8.370 nan 0.000 0.438 180 G N -1.325 107.473 108.800 -0.003 0.000 2.441 180 G HA2 0.376 4.336 3.960 -0.000 0.000 0.334 180 G HA3 0.376 4.336 3.960 -0.000 0.000 0.334 180 G C 0.931 175.829 174.900 -0.004 0.000 1.161 180 G CA -0.454 44.644 45.100 -0.003 0.000 0.935 180 G HN 0.388 nan 8.290 nan 0.000 0.488 181 T N -1.878 112.673 114.554 -0.004 0.000 3.023 181 T HA 0.434 4.784 4.350 -0.000 0.000 0.266 181 T C 1.132 175.830 174.700 -0.004 0.000 1.093 181 T CA 0.858 62.955 62.100 -0.004 0.000 1.129 181 T CB 0.037 68.902 68.868 -0.004 0.000 0.899 181 T HN 1.597 nan 8.240 nan 0.000 0.491 182 G N 0.438 109.236 108.800 -0.003 0.000 2.313 182 G HA2 0.375 4.335 3.960 -0.000 0.000 0.296 182 G HA3 0.375 4.335 3.960 -0.000 0.000 0.296 182 G C -1.591 173.308 174.900 -0.003 0.000 1.356 182 G CA -0.808 44.291 45.100 -0.003 0.000 0.833 182 G HN 0.277 nan 8.290 nan 0.000 0.552 183 L N 1.131 122.353 121.223 -0.003 0.000 2.865 183 L HA 0.336 4.676 4.340 -0.000 0.000 0.283 183 L C -0.208 176.661 176.870 -0.003 0.000 1.101 183 L CA 1.602 56.441 54.840 -0.003 0.000 1.061 183 L CB -1.378 40.679 42.059 -0.002 0.000 1.437 183 L HN 0.787 nan 8.230 nan 0.000 0.460 184 Q N 3.057 122.856 119.800 -0.003 0.000 3.191 184 Q HA 0.075 4.415 4.340 -0.000 0.000 0.172 184 Q C -1.715 174.283 176.000 -0.003 0.000 1.015 184 Q CA -0.592 55.209 55.803 -0.003 0.000 1.081 184 Q CB 0.683 29.420 28.738 -0.003 0.000 2.182 184 Q HN 0.608 nan 8.270 nan 0.000 0.576 185 D N 2.649 123.048 120.400 -0.003 0.000 2.177 185 D HA 0.312 4.952 4.640 -0.000 0.000 0.247 185 D C -0.603 175.695 176.300 -0.003 0.000 1.063 185 D CA -0.027 53.971 54.000 -0.003 0.000 0.867 185 D CB 1.294 42.092 40.800 -0.003 0.000 1.168 185 D HN 0.289 nan 8.370 nan 0.000 0.445 186 E N 0.853 121.050 120.200 -0.003 0.000 2.238 186 E HA 0.533 4.883 4.350 -0.000 0.000 0.267 186 E C -0.976 175.621 176.600 -0.004 0.000 0.887 186 E CA -0.992 55.406 56.400 -0.004 0.000 0.769 186 E CB 2.597 32.294 29.700 -0.004 0.000 1.187 186 E HN 0.072 nan 8.360 nan 0.000 0.416 187 L N 2.880 124.100 121.223 -0.005 0.000 2.446 187 L HA 0.399 4.739 4.340 -0.000 0.000 0.268 187 L C -1.809 175.057 176.870 -0.006 0.000 0.975 187 L CA -0.232 54.605 54.840 -0.005 0.000 0.848 187 L CB 1.332 43.388 42.059 -0.005 0.000 1.225 187 L HN 0.411 nan 8.230 nan 0.000 0.410 188 D N 4.297 124.693 120.400 -0.006 0.000 2.696 188 D HA 0.349 4.989 4.640 -0.000 0.000 0.251 188 D C -0.813 175.483 176.300 -0.007 0.000 1.188 188 D CA -0.209 53.788 54.000 -0.006 0.000 0.876 188 D CB 2.968 43.764 40.800 -0.006 0.000 1.334 188 D HN 0.168 nan 8.370 nan 0.000 0.540 189 V N 2.569 122.479 119.914 -0.006 0.000 2.427 189 V HA 0.266 4.386 4.120 -0.000 0.000 0.268 189 V C 0.702 176.793 176.094 -0.005 0.000 1.046 189 V CA -0.439 61.858 62.300 -0.006 0.000 0.970 189 V CB 0.885 32.705 31.823 -0.005 0.000 1.001 189 V HN 0.372 nan 8.190 nan 0.000 0.476 190 V N 1.906 121.817 119.914 -0.005 0.000 3.019 190 V HA 0.644 4.764 4.120 -0.000 0.000 0.317 190 V C -0.000 176.092 176.094 -0.003 0.000 1.094 190 V CA -1.136 61.161 62.300 -0.005 0.000 1.000 190 V CB 2.012 33.831 31.823 -0.007 0.000 1.060 190 V HN 0.637 nan 8.190 nan 0.000 0.443 191 E N 1.960 122.158 120.200 -0.003 0.000 2.341 191 E HA 0.450 4.800 4.350 -0.000 0.000 0.256 191 E C 0.247 176.849 176.600 0.004 0.000 1.125 191 E CA 0.792 57.192 56.400 0.001 0.000 0.939 191 E CB 0.638 30.338 29.700 -0.000 0.000 0.991 191 E HN 1.069 nan 8.360 nan 0.000 0.458 192 G N 1.956 110.761 108.800 0.008 0.000 2.725 192 G HA2 0.744 4.704 3.960 -0.000 0.000 0.288 192 G HA3 0.744 4.704 3.960 -0.000 0.000 0.288 192 G C -0.995 173.921 174.900 0.026 0.000 1.399 192 G CA -0.611 44.498 45.100 0.014 0.000 0.859 192 G HN 0.378 nan 8.290 nan 0.000 0.479 193 M N 0.324 119.949 119.600 0.041 0.000 2.389 193 M HA 0.339 4.819 4.480 -0.000 0.000 0.291 193 M C -2.153 174.200 176.300 0.089 0.000 1.128 193 M CA -0.502 54.839 55.300 0.069 0.000 0.942 193 M CB 2.390 35.044 32.600 0.090 0.000 1.783 193 M HN 0.649 nan 8.290 nan 0.000 0.501 194 Q N 3.861 123.708 119.800 0.079 0.000 2.375 194 Q HA 0.769 5.109 4.340 -0.000 0.000 0.271 194 Q C -1.968 174.099 176.000 0.113 0.000 1.074 194 Q CA -0.617 55.195 55.803 0.016 0.000 0.808 194 Q CB 2.292 30.999 28.738 -0.052 0.000 1.327 194 Q HN 0.594 nan 8.270 nan 0.000 0.441 195 F N -0.439 119.511 119.950 0.000 0.000 2.640 195 F HA 0.511 5.038 4.527 -0.000 0.000 0.324 195 F C -0.359 175.442 175.800 0.002 0.000 1.077 195 F CA -1.200 56.801 58.000 0.003 0.000 0.965 195 F CB 0.898 39.901 39.000 0.006 0.000 1.351 195 F HN 0.308 nan 8.300 nan 0.000 0.487 196 D N 1.999 122.529 120.400 0.218 0.000 3.032 196 D HA 0.162 4.802 4.640 -0.000 0.000 0.241 196 D C -0.302 176.082 176.300 0.141 0.000 1.196 196 D CA 0.342 54.404 54.000 0.104 0.000 0.927 196 D CB -0.256 40.605 40.800 0.100 0.000 1.129 196 D HN 0.250 nan 8.370 nan 0.000 0.458 197 R N 0.041 120.614 120.500 0.122 0.000 2.533 197 R HA 0.524 4.864 4.340 -0.000 0.000 0.288 197 R C 0.377 176.654 176.300 -0.037 0.000 1.039 197 R CA -0.632 55.564 56.100 0.160 0.000 0.909 197 R CB 2.119 32.718 30.300 0.498 0.000 1.195 197 R HN 0.143 nan 8.270 nan 0.000 0.438 198 G N 1.176 109.926 108.800 -0.083 0.000 2.702 198 G HA2 0.386 4.346 3.960 -0.000 0.000 0.254 198 G HA3 0.386 4.346 3.960 -0.000 0.000 0.254 198 G C -0.734 174.109 174.900 -0.095 0.000 1.380 198 G CA -0.470 44.508 45.100 -0.205 0.000 1.042 198 G HN 0.462 nan 8.290 nan 0.000 0.557 199 Y N -0.886 119.453 120.300 0.065 0.000 2.425 199 Y HA 0.463 5.013 4.550 -0.000 0.000 0.331 199 Y C 1.137 177.130 175.900 0.154 0.000 1.157 199 Y CA -1.081 57.092 58.100 0.121 0.000 1.372 199 Y CB 0.710 39.283 38.460 0.189 0.000 1.253 199 Y HN 0.161 nan 8.280 nan 0.000 0.536 200 L N 2.025 123.474 121.223 0.377 0.000 2.478 200 L HA 0.066 4.406 4.340 -0.000 0.000 0.223 200 L C 0.758 177.850 176.870 0.370 0.000 1.140 200 L CA 0.890 55.912 54.840 0.304 0.000 0.842 200 L CB -0.043 42.162 42.059 0.244 0.000 0.953 200 L HN 0.812 nan 8.230 nan 0.000 0.452 201 S N -1.870 114.148 115.700 0.529 0.000 2.537 201 S HA 0.509 4.979 4.470 -0.000 0.000 0.270 201 S C -2.700 172.008 174.600 0.179 0.000 1.142 201 S CA -1.230 57.160 58.200 0.317 0.000 0.870 201 S CB 1.868 65.151 63.200 0.138 0.000 1.112 201 S HN -0.284 nan 8.310 nan 0.000 0.466 202 P HA 0.518 nan 4.420 nan 0.000 0.297 202 P C -0.388 176.620 177.300 -0.487 0.000 1.303 202 P CA 0.274 63.056 63.100 -0.530 0.000 0.753 202 P CB 0.098 31.454 31.700 -0.574 0.000 1.281 203 Y N -4.732 115.359 120.300 -0.349 0.000 2.805 203 Y HA -0.269 4.281 4.550 -0.000 0.000 0.471 203 Y C 1.772 177.507 175.900 -0.276 0.000 1.367 203 Y CA 0.999 58.902 58.100 -0.329 0.000 2.344 203 Y CB -3.024 35.182 38.460 -0.423 0.000 0.975 203 Y HN 0.124 nan 8.280 nan 0.000 0.500 204 F N 1.059 121.010 119.950 0.002 0.000 2.373 204 F HA -0.056 4.471 4.527 -0.000 0.000 0.300 204 F C 1.298 177.040 175.800 -0.097 0.000 1.080 204 F CA 0.780 58.757 58.000 -0.038 0.000 1.417 204 F CB -0.686 38.291 39.000 -0.039 0.000 1.070 204 F HN -0.020 nan 8.300 nan 0.000 0.546 205 I N 2.146 122.683 120.570 -0.056 0.000 2.494 205 I HA -0.065 4.105 4.170 -0.000 0.000 0.289 205 I C 0.728 176.820 176.117 -0.041 0.000 1.106 205 I CA 0.108 61.345 61.300 -0.105 0.000 1.369 205 I CB 0.218 38.076 38.000 -0.237 0.000 1.410 205 I HN 0.118 nan 8.210 nan 0.000 0.523 206 N N 4.753 123.450 118.700 -0.006 0.000 2.294 206 N HA 0.023 4.763 4.740 -0.000 0.000 0.186 206 N C 0.074 175.580 175.510 -0.006 0.000 1.107 206 N CA 0.149 53.200 53.050 0.002 0.000 0.884 206 N CB 0.346 38.846 38.487 0.021 0.000 1.030 206 N HN 0.265 nan 8.380 nan 0.000 0.482 207 K N 1.769 122.164 120.400 -0.009 0.000 2.356 207 K HA 0.257 4.577 4.320 -0.000 0.000 0.243 207 K C -1.936 174.654 176.600 -0.018 0.000 1.072 207 K CA -1.707 54.575 56.287 -0.009 0.000 1.014 207 K CB 1.854 34.355 32.500 0.001 0.000 1.523 207 K HN 0.110 nan 8.250 nan 0.000 0.455 208 P HA -0.099 nan 4.420 nan 0.000 0.223 208 P C 0.386 177.671 177.300 -0.025 0.000 1.151 208 P CA 0.968 64.047 63.100 -0.033 0.000 0.787 208 P CB 0.584 32.265 31.700 -0.032 0.000 0.788 209 E N 0.171 120.360 120.200 -0.018 0.000 2.077 209 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 209 E C 2.003 178.592 176.600 -0.018 0.000 0.989 209 E CA 2.241 58.631 56.400 -0.017 0.000 0.800 209 E CB -1.229 28.464 29.700 -0.012 0.000 0.746 209 E HN 0.405 nan 8.360 nan 0.000 0.452 210 T N -3.726 110.820 114.554 -0.013 0.000 3.040 210 T HA 0.306 4.656 4.350 -0.000 0.000 0.252 210 T C 1.493 176.192 174.700 -0.001 0.000 1.064 210 T CA 0.147 62.240 62.100 -0.012 0.000 1.110 210 T CB 0.385 69.252 68.868 -0.002 0.000 0.921 210 T HN 0.293 nan 8.240 nan 0.000 0.480 211 G N 1.233 110.036 108.800 0.006 0.000 2.303 211 G HA2 0.272 4.232 3.960 -0.000 0.000 0.260 211 G HA3 0.272 4.232 3.960 -0.000 0.000 0.260 211 G C -0.031 174.930 174.900 0.102 0.000 1.106 211 G CA -0.215 44.902 45.100 0.029 0.000 0.900 211 G HN 1.224 nan 8.290 nan 0.000 0.495 212 A N -1.230 121.629 122.820 0.064 0.000 2.587 212 A HA 0.932 5.252 4.320 -0.000 0.000 0.293 212 A C -0.289 177.330 177.584 0.059 0.000 1.087 212 A CA -0.186 51.922 52.037 0.117 0.000 0.692 212 A CB 1.868 20.925 19.000 0.094 0.000 1.291 212 A HN 1.461 nan 8.150 nan 0.000 0.407 213 V N 0.711 120.681 119.914 0.093 0.000 2.481 213 V HA 0.614 4.734 4.120 -0.000 0.000 0.286 213 V C 0.093 176.213 176.094 0.044 0.000 1.042 213 V CA -0.333 62.004 62.300 0.061 0.000 0.928 213 V CB 1.304 33.177 31.823 0.082 0.000 0.986 213 V HN 0.909 nan 8.190 nan 0.000 0.462 214 E N 4.242 124.460 120.200 0.029 0.000 2.316 214 E HA 0.551 4.901 4.350 -0.000 0.000 0.254 214 E C -1.742 174.865 176.600 0.012 0.000 0.902 214 E CA -0.492 55.917 56.400 0.016 0.000 0.801 214 E CB 1.240 30.947 29.700 0.013 0.000 1.270 214 E HN 0.683 nan 8.360 nan 0.000 0.414 215 L N 3.558 124.784 121.223 0.005 0.000 2.333 215 L HA 0.498 4.838 4.340 -0.000 0.000 0.280 215 L C -0.203 176.659 176.870 -0.014 0.000 1.004 215 L CA -0.734 54.105 54.840 -0.001 0.000 0.820 215 L CB 1.882 43.941 42.059 -0.001 0.000 1.247 215 L HN 0.458 nan 8.230 nan 0.000 0.416 216 E N 1.710 121.900 120.200 -0.018 0.000 2.151 216 E HA 0.346 4.696 4.350 -0.000 0.000 0.275 216 E C -0.411 176.158 176.600 -0.053 0.000 0.936 216 E CA -0.478 55.904 56.400 -0.031 0.000 0.777 216 E CB 1.502 31.189 29.700 -0.022 0.000 1.108 216 E HN 0.621 nan 8.360 nan 0.000 0.401 217 S N 1.646 117.298 115.700 -0.080 0.000 3.697 217 S HA -0.113 4.357 4.470 -0.000 0.000 0.388 217 S C -2.518 171.952 174.600 -0.218 0.000 0.941 217 S CA -0.013 58.102 58.200 -0.140 0.000 1.247 217 S CB -1.357 61.772 63.200 -0.118 0.000 0.904 217 S HN 0.426 nan 8.310 nan 0.000 0.518 218 P HA 0.671 nan 4.420 nan 0.000 0.287 218 P C -0.104 177.013 177.300 -0.306 0.000 1.270 218 P CA -0.726 62.273 63.100 -0.169 0.000 0.844 218 P CB 0.487 32.153 31.700 -0.056 0.000 1.068 219 F N 0.710 120.661 119.950 0.001 0.000 2.371 219 F HA 0.426 4.953 4.527 -0.000 0.000 0.329 219 F C 0.795 176.595 175.800 -0.000 0.000 1.107 219 F CA -0.019 57.982 58.000 0.001 0.000 1.137 219 F CB 0.528 39.528 39.000 -0.000 0.000 1.214 219 F HN 0.024 nan 8.300 nan 0.000 0.536 220 I N 4.007 124.693 120.570 0.192 0.000 2.448 220 I HA 0.193 4.363 4.170 -0.000 0.000 0.281 220 I C -1.057 175.114 176.117 0.090 0.000 1.027 220 I CA -0.758 60.604 61.300 0.103 0.000 1.111 220 I CB 1.478 39.517 38.000 0.064 0.000 1.236 220 I HN 0.325 nan 8.210 nan 0.000 0.452 221 L N 8.080 129.343 121.223 0.067 0.000 2.410 221 L HA 0.364 4.704 4.340 -0.000 0.000 0.273 221 L C -0.944 175.941 176.870 0.024 0.000 1.144 221 L CA 0.499 55.363 54.840 0.039 0.000 0.863 221 L CB 0.425 42.499 42.059 0.025 0.000 1.140 221 L HN 0.447 nan 8.230 nan 0.000 0.463 222 L N 6.335 127.567 121.223 0.015 0.000 2.342 222 L HA 0.785 5.125 4.340 -0.000 0.000 0.276 222 L C -0.483 176.384 176.870 -0.005 0.000 0.997 222 L CA -0.286 54.554 54.840 -0.000 0.000 0.838 222 L CB 1.501 43.559 42.059 -0.002 0.000 1.224 222 L HN 0.784 nan 8.230 nan 0.000 0.416 223 A N 1.480 124.295 122.820 -0.009 0.000 2.398 223 A HA 0.468 4.788 4.320 -0.000 0.000 0.301 223 A C -0.912 176.665 177.584 -0.011 0.000 1.041 223 A CA -0.525 51.508 52.037 -0.007 0.000 0.711 223 A CB 1.393 20.392 19.000 -0.001 0.000 1.240 223 A HN 0.616 nan 8.150 nan 0.000 0.420 224 D N 1.929 122.322 120.400 -0.012 0.000 2.845 224 D HA 0.345 4.985 4.640 -0.000 0.000 0.235 224 D C -0.061 176.236 176.300 -0.005 0.000 1.158 224 D CA 0.398 54.391 54.000 -0.013 0.000 0.990 224 D CB -0.571 40.219 40.800 -0.017 0.000 1.094 224 D HN 0.597 nan 8.370 nan 0.000 0.486 225 K N -0.957 119.444 120.400 0.000 0.000 2.610 225 K HA 0.307 4.627 4.320 -0.000 0.000 0.278 225 K C -1.124 175.483 176.600 0.012 0.000 0.964 225 K CA -1.097 55.194 56.287 0.006 0.000 0.859 225 K CB 0.881 33.384 32.500 0.005 0.000 1.434 225 K HN -0.245 nan 8.250 nan 0.000 0.410 226 K N 2.176 122.586 120.400 0.017 0.000 2.316 226 K HA 0.252 4.572 4.320 -0.000 0.000 0.289 226 K C -0.523 176.090 176.600 0.022 0.000 1.070 226 K CA -0.221 56.080 56.287 0.023 0.000 0.928 226 K CB 0.297 32.812 32.500 0.025 0.000 1.039 226 K HN 0.421 nan 8.250 nan 0.000 0.480 227 I N 2.976 123.561 120.570 0.025 0.000 2.268 227 I HA 0.017 4.187 4.170 -0.000 0.000 0.290 227 I C 0.812 176.948 176.117 0.031 0.000 1.125 227 I CA 0.056 61.371 61.300 0.025 0.000 1.236 227 I CB 0.928 38.943 38.000 0.025 0.000 1.469 227 I HN 0.581 nan 8.210 nan 0.000 0.512 228 S N 2.772 118.488 115.700 0.027 0.000 2.478 228 S HA 0.135 4.605 4.470 -0.000 0.000 0.222 228 S C 0.743 175.358 174.600 0.025 0.000 1.008 228 S CA 0.416 58.633 58.200 0.028 0.000 0.928 228 S CB -0.079 63.136 63.200 0.024 0.000 0.781 228 S HN 0.560 nan 8.310 nan 0.000 0.518 229 N N 0.990 119.703 118.700 0.021 0.000 2.408 229 N HA 0.360 5.100 4.740 -0.000 0.000 0.280 229 N C -0.294 175.227 175.510 0.018 0.000 1.002 229 N CA -0.214 52.847 53.050 0.017 0.000 0.907 229 N CB 1.679 40.174 38.487 0.013 0.000 1.161 229 N HN 0.081 nan 8.380 nan 0.000 0.488 230 I N 1.820 122.401 120.570 0.018 0.000 3.810 230 I HA 0.089 4.259 4.170 -0.000 0.000 0.322 230 I C 2.015 178.139 176.117 0.012 0.000 1.288 230 I CA 0.191 61.502 61.300 0.018 0.000 1.143 230 I CB 0.074 38.088 38.000 0.023 0.000 1.012 230 I HN 0.411 nan 8.210 nan 0.000 0.423 231 R N 0.647 121.152 120.500 0.009 0.000 2.119 231 R HA -0.080 4.260 4.340 -0.000 0.000 0.222 231 R C 1.619 177.921 176.300 0.003 0.000 1.088 231 R CA 1.220 57.323 56.100 0.005 0.000 0.984 231 R CB 0.035 30.338 30.300 0.004 0.000 0.884 231 R HN 0.446 nan 8.270 nan 0.000 0.447 232 E N 0.036 120.238 120.200 0.004 0.000 2.152 232 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 232 E C 1.695 178.295 176.600 0.000 0.000 0.983 232 E CA 0.760 57.161 56.400 0.002 0.000 0.818 232 E CB 0.075 29.777 29.700 0.004 0.000 0.758 232 E HN 0.290 nan 8.360 nan 0.000 0.467 233 M N 0.481 120.083 119.600 0.003 0.000 2.558 233 M HA 0.038 4.518 4.480 -0.000 0.000 0.255 233 M C 1.986 178.285 176.300 -0.003 0.000 1.113 233 M CA 0.670 55.971 55.300 0.002 0.000 1.097 233 M CB -0.369 32.238 32.600 0.011 0.000 1.426 233 M HN 0.166 nan 8.290 nan 0.000 0.488 234 L N 0.927 122.148 121.223 -0.003 0.000 2.012 234 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 234 L C -0.296 176.566 176.870 -0.014 0.000 1.073 234 L CA 1.649 56.485 54.840 -0.006 0.000 0.748 234 L CB -2.168 39.889 42.059 -0.004 0.000 0.891 234 L HN 0.183 nan 8.230 nan 0.000 0.431 235 P HA -0.055 nan 4.420 nan 0.000 0.225 235 P C 1.696 178.973 177.300 -0.039 0.000 1.156 235 P CA 0.988 64.073 63.100 -0.026 0.000 0.787 235 P CB 0.175 31.861 31.700 -0.023 0.000 0.802 236 V N -0.217 119.674 119.914 -0.038 0.000 2.599 236 V HA -0.074 4.046 4.120 -0.000 0.000 0.245 236 V C 2.589 178.647 176.094 -0.060 0.000 1.046 236 V CA 1.071 63.338 62.300 -0.055 0.000 1.065 236 V CB -0.993 30.806 31.823 -0.039 0.000 0.703 236 V HN -0.011 nan 8.190 nan 0.000 0.464 237 L N -0.209 120.995 121.223 -0.033 0.000 2.217 237 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 237 L C 2.388 179.242 176.870 -0.027 0.000 1.107 237 L CA 1.374 56.202 54.840 -0.020 0.000 0.783 237 L CB -0.372 41.686 42.059 -0.002 0.000 0.919 237 L HN 0.387 nan 8.230 nan 0.000 0.442 238 E N -0.187 119.993 120.200 -0.034 0.000 2.318 238 E HA -0.023 4.327 4.350 -0.000 0.000 0.193 238 E C 2.139 178.707 176.600 -0.053 0.000 0.998 238 E CA 0.699 57.079 56.400 -0.033 0.000 0.859 238 E CB 0.096 29.780 29.700 -0.026 0.000 0.812 238 E HN 0.444 nan 8.360 nan 0.000 0.492 239 A N 0.654 123.424 122.820 -0.082 0.000 2.123 239 A HA 0.010 4.330 4.320 -0.000 0.000 0.214 239 A C 2.094 179.566 177.584 -0.186 0.000 1.152 239 A CA 0.427 52.388 52.037 -0.126 0.000 0.728 239 A CB 0.231 19.142 19.000 -0.148 0.000 0.814 239 A HN 0.078 nan 8.150 nan 0.000 0.464 240 V N -0.868 118.954 119.914 -0.154 0.000 3.590 240 V HA 0.061 4.181 4.120 -0.000 0.000 0.265 240 V C 2.585 178.667 176.094 -0.021 0.000 1.239 240 V CA 1.035 63.257 62.300 -0.130 0.000 1.117 240 V CB -0.089 31.695 31.823 -0.065 0.000 0.818 240 V HN 0.539 nan 8.190 nan 0.000 0.451 241 A N -0.086 122.720 122.820 -0.024 0.000 1.970 241 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 241 A C 1.350 178.936 177.584 0.003 0.000 1.170 241 A CA 0.721 52.759 52.037 0.001 0.000 0.645 241 A CB -0.108 18.889 19.000 -0.004 0.000 0.816 241 A HN 0.497 nan 8.150 nan 0.000 0.447 242 K N -1.547 118.844 120.400 -0.016 0.000 2.258 242 K HA 0.426 4.746 4.320 -0.000 0.000 0.264 242 K C 0.967 177.577 176.600 0.017 0.000 1.007 242 K CA 0.329 56.611 56.287 -0.008 0.000 0.941 242 K CB 0.446 32.929 32.500 -0.028 0.000 0.966 242 K HN 0.655 nan 8.250 nan 0.000 0.480 243 A N 1.583 124.424 122.820 0.035 0.000 4.109 243 A HA -0.197 4.123 4.320 -0.000 0.000 0.250 243 A C 1.026 178.658 177.584 0.081 0.000 0.772 243 A CA 1.378 53.457 52.037 0.070 0.000 1.320 243 A CB -2.383 16.690 19.000 0.121 0.000 1.076 243 A HN 1.575 nan 8.150 nan 0.000 0.723 244 G N -0.786 108.059 108.800 0.076 0.000 2.422 244 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.290 244 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.290 244 G C -0.340 174.613 174.900 0.089 0.000 1.059 244 G CA 1.350 46.492 45.100 0.069 0.000 1.242 244 G HN 1.224 nan 8.290 nan 0.000 0.520 245 K N 0.301 120.783 120.400 0.136 0.000 2.433 245 K HA 0.628 4.948 4.320 -0.000 0.000 0.252 245 K C -2.502 174.179 176.600 0.135 0.000 1.015 245 K CA -2.235 54.131 56.287 0.131 0.000 0.860 245 K CB 2.329 34.925 32.500 0.159 0.000 1.359 245 K HN 0.090 nan 8.250 nan 0.000 0.452 246 P HA 0.190 nan 4.420 nan 0.000 0.274 246 P C -1.364 176.008 177.300 0.119 0.000 1.260 246 P CA -0.535 62.611 63.100 0.076 0.000 0.793 246 P CB 0.468 32.187 31.700 0.031 0.000 1.048 247 L N 0.233 121.505 121.223 0.082 0.000 2.434 247 L HA 0.679 5.019 4.340 -0.000 0.000 0.260 247 L C -1.807 175.080 176.870 0.029 0.000 0.983 247 L CA -0.897 54.000 54.840 0.095 0.000 0.820 247 L CB 1.916 44.028 42.059 0.088 0.000 1.361 247 L HN 0.130 nan 8.230 nan 0.000 0.410 248 L N 4.220 125.465 121.223 0.037 0.000 2.362 248 L HA 0.725 5.065 4.340 -0.000 0.000 0.271 248 L C -1.415 175.460 176.870 0.009 0.000 1.002 248 L CA -0.348 54.494 54.840 0.003 0.000 0.818 248 L CB 1.817 43.890 42.059 0.023 0.000 1.298 248 L HN 0.416 nan 8.230 nan 0.000 0.420 249 I N 6.118 126.676 120.570 -0.020 0.000 2.406 249 I HA 0.389 4.559 4.170 -0.000 0.000 0.290 249 I C -0.387 175.737 176.117 0.013 0.000 0.999 249 I CA -0.375 60.923 61.300 -0.004 0.000 1.124 249 I CB 1.450 39.440 38.000 -0.017 0.000 1.289 249 I HN 0.533 nan 8.210 nan 0.000 0.441 250 I N 5.446 126.025 120.570 0.015 0.000 2.595 250 I HA 0.503 4.673 4.170 -0.000 0.000 0.275 250 I C 0.188 176.299 176.117 -0.010 0.000 1.092 250 I CA -0.245 61.059 61.300 0.006 0.000 1.145 250 I CB 1.238 39.227 38.000 -0.017 0.000 1.276 250 I HN 0.653 nan 8.210 nan 0.000 0.497 251 A N 3.368 126.191 122.820 0.004 0.000 2.330 251 A HA 0.441 4.761 4.320 -0.000 0.000 0.329 251 A C 1.068 178.657 177.584 0.009 0.000 1.135 251 A CA -0.492 51.548 52.037 0.004 0.000 0.817 251 A CB 1.356 20.365 19.000 0.014 0.000 1.269 251 A HN 0.699 nan 8.150 nan 0.000 0.469 252 E N -0.455 119.749 120.200 0.007 0.000 2.169 252 E HA -0.226 4.124 4.350 -0.000 0.000 0.202 252 E C -0.334 176.285 176.600 0.032 0.000 1.016 252 E CA 1.930 58.340 56.400 0.017 0.000 0.817 252 E CB 0.145 29.857 29.700 0.019 0.000 0.736 252 E HN 0.636 nan 8.360 nan 0.000 0.462 253 D N -2.480 117.942 120.400 0.036 0.000 2.783 253 D HA 0.131 4.771 4.640 -0.000 0.000 0.253 253 D C -1.911 174.419 176.300 0.050 0.000 1.206 253 D CA -0.424 53.605 54.000 0.048 0.000 0.740 253 D CB 1.804 42.633 40.800 0.047 0.000 1.313 253 D HN -0.161 nan 8.370 nan 0.000 0.427 254 V N 2.575 122.529 119.914 0.066 0.000 2.419 254 V HA 0.421 4.541 4.120 -0.000 0.000 0.287 254 V C -0.278 175.864 176.094 0.081 0.000 1.017 254 V CA -0.586 61.757 62.300 0.072 0.000 0.844 254 V CB 1.523 33.397 31.823 0.085 0.000 1.011 254 V HN 0.379 nan 8.190 nan 0.000 0.429 255 E N 2.304 122.542 120.200 0.064 0.000 2.235 255 E HA 0.714 5.064 4.350 -0.000 0.000 0.265 255 E C 1.043 177.673 176.600 0.051 0.000 0.940 255 E CA -0.129 56.305 56.400 0.058 0.000 0.819 255 E CB 2.151 31.878 29.700 0.045 0.000 1.206 255 E HN 0.737 nan 8.360 nan 0.000 0.409 256 G N 1.979 110.806 108.800 0.044 0.000 2.704 256 G HA2 -0.473 3.487 3.960 -0.000 0.000 0.344 256 G HA3 -0.473 3.487 3.960 -0.000 0.000 0.344 256 G C 1.165 176.082 174.900 0.027 0.000 1.200 256 G CA 0.940 46.059 45.100 0.031 0.000 0.962 256 G HN 0.663 nan 8.290 nan 0.000 0.552 257 E N 1.659 121.873 120.200 0.023 0.000 2.072 257 E HA 0.003 4.353 4.350 -0.000 0.000 0.191 257 E C 2.987 179.603 176.600 0.028 0.000 0.985 257 E CA 2.032 58.443 56.400 0.019 0.000 0.801 257 E CB -0.598 29.111 29.700 0.015 0.000 0.750 257 E HN 0.780 nan 8.360 nan 0.000 0.452 258 A N 1.217 124.060 122.820 0.037 0.000 1.873 258 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 258 A C 2.239 179.867 177.584 0.074 0.000 1.186 258 A CA 1.342 53.408 52.037 0.048 0.000 0.616 258 A CB -0.661 18.367 19.000 0.046 0.000 0.823 258 A HN 0.333 nan 8.150 nan 0.000 0.442 259 L N -0.680 120.593 121.223 0.085 0.000 2.156 259 L HA 0.076 4.416 4.340 -0.000 0.000 0.208 259 L C 2.493 179.420 176.870 0.094 0.000 1.095 259 L CA 1.892 56.810 54.840 0.130 0.000 0.770 259 L CB -0.426 41.709 42.059 0.128 0.000 0.914 259 L HN 0.315 nan 8.230 nan 0.000 0.439 260 A N -1.992 120.851 122.820 0.038 0.000 1.975 260 A HA -0.032 4.288 4.320 -0.000 0.000 0.215 260 A C 2.142 179.711 177.584 -0.026 0.000 1.170 260 A CA 1.472 53.500 52.037 -0.016 0.000 0.656 260 A CB -0.738 18.249 19.000 -0.023 0.000 0.821 260 A HN 0.452 nan 8.150 nan 0.000 0.449 261 T N 0.410 114.968 114.554 0.007 0.000 2.851 261 T HA 0.017 4.367 4.350 -0.000 0.000 0.262 261 T C 1.831 176.551 174.700 0.033 0.000 1.043 261 T CA 1.089 63.194 62.100 0.008 0.000 1.140 261 T CB -0.305 68.573 68.868 0.017 0.000 0.872 261 T HN 0.306 nan 8.240 nan 0.000 0.446 262 L N 0.915 122.190 121.223 0.085 0.000 2.017 262 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 262 L C 2.645 179.627 176.870 0.185 0.000 1.073 262 L CA 1.004 55.948 54.840 0.173 0.000 0.745 262 L CB -0.673 41.541 42.059 0.258 0.000 0.894 262 L HN 0.119 nan 8.230 nan 0.000 0.432 263 V N -0.752 119.190 119.914 0.046 0.000 2.688 263 V HA -0.237 3.883 4.120 -0.000 0.000 0.256 263 V C 2.193 178.157 176.094 -0.217 0.000 1.084 263 V CA 1.253 63.391 62.300 -0.270 0.000 1.103 263 V CB -0.089 31.506 31.823 -0.380 0.000 0.688 263 V HN 0.220 nan 8.190 nan 0.000 0.480 264 V N -0.342 119.503 119.914 -0.116 0.000 2.374 264 V HA -0.122 3.998 4.120 -0.000 0.000 0.241 264 V C 2.046 178.116 176.094 -0.040 0.000 1.034 264 V CA 1.853 64.090 62.300 -0.105 0.000 1.037 264 V CB -0.620 31.154 31.823 -0.082 0.000 0.682 264 V HN 0.548 nan 8.190 nan 0.000 0.463 265 N N 0.535 119.237 118.700 0.003 0.000 2.188 265 N HA -0.163 4.577 4.740 -0.000 0.000 0.184 265 N C 1.907 177.445 175.510 0.047 0.000 1.018 265 N CA 1.881 54.946 53.050 0.025 0.000 0.858 265 N CB -0.086 38.422 38.487 0.035 0.000 0.989 265 N HN 0.647 nan 8.380 nan 0.000 0.426 266 T N -1.122 113.486 114.554 0.090 0.000 3.035 266 T HA -0.036 4.314 4.350 -0.000 0.000 0.268 266 T C 1.663 176.412 174.700 0.082 0.000 1.109 266 T CA 0.542 62.713 62.100 0.119 0.000 1.119 266 T CB 0.004 69.014 68.868 0.236 0.000 0.900 266 T HN 0.114 nan 8.240 nan 0.000 0.503 267 M N -0.101 119.522 119.600 0.039 0.000 2.541 267 M HA 0.294 4.774 4.480 -0.000 0.000 0.252 267 M C 1.943 178.246 176.300 0.005 0.000 1.125 267 M CA 0.387 55.696 55.300 0.015 0.000 1.091 267 M CB 0.128 32.712 32.600 -0.027 0.000 1.420 267 M HN 0.121 nan 8.290 nan 0.000 0.486 268 R N -0.698 119.805 120.500 0.005 0.000 2.300 268 R HA 0.209 4.549 4.340 -0.000 0.000 0.199 268 R C 1.268 177.574 176.300 0.010 0.000 0.920 268 R CA 0.672 56.773 56.100 0.002 0.000 1.046 268 R CB 0.344 30.642 30.300 -0.004 0.000 0.984 268 R HN 0.582 nan 8.270 nan 0.000 0.493 269 G N 1.520 110.332 108.800 0.020 0.000 2.279 269 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.223 269 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.223 269 G C 0.349 175.265 174.900 0.027 0.000 1.015 269 G CA -0.218 44.895 45.100 0.023 0.000 0.621 269 G HN 0.229 nan 8.290 nan 0.000 0.506 270 I N 2.659 123.244 120.570 0.025 0.000 2.933 270 I HA 0.307 4.477 4.170 -0.000 0.000 0.301 270 I C 0.967 177.107 176.117 0.038 0.000 1.163 270 I CA 0.216 61.532 61.300 0.026 0.000 1.629 270 I CB -0.682 37.330 38.000 0.020 0.000 1.530 270 I HN 0.371 nan 8.210 nan 0.000 0.755 271 V N 3.772 123.709 119.914 0.040 0.000 3.673 271 V HA -0.245 3.875 4.120 -0.000 0.000 0.512 271 V C 0.350 176.482 176.094 0.062 0.000 0.682 271 V CA 0.392 62.722 62.300 0.049 0.000 2.054 271 V CB -1.082 30.768 31.823 0.045 0.000 2.469 271 V HN 0.722 nan 8.190 nan 0.000 0.511 272 K N 4.163 124.600 120.400 0.063 0.000 2.349 272 K HA 0.603 4.923 4.320 -0.000 0.000 0.289 272 K C -0.325 176.312 176.600 0.061 0.000 1.064 272 K CA -0.023 56.307 56.287 0.072 0.000 0.947 272 K CB 1.220 33.757 32.500 0.061 0.000 1.007 272 K HN 0.587 nan 8.250 nan 0.000 0.478 273 V N 1.764 121.717 119.914 0.065 0.000 2.735 273 V HA 0.777 4.897 4.120 -0.000 0.000 0.310 273 V C -0.586 175.385 176.094 -0.205 0.000 1.061 273 V CA -1.234 61.056 62.300 -0.016 0.000 0.913 273 V CB 1.964 33.791 31.823 0.007 0.000 1.005 273 V HN 0.757 nan 8.190 nan 0.000 0.428 274 A N 2.783 125.420 122.820 -0.306 0.000 2.343 274 A HA 0.940 5.260 4.320 -0.000 0.000 0.316 274 A C -0.226 177.073 177.584 -0.474 0.000 1.104 274 A CA -0.382 51.305 52.037 -0.583 0.000 0.768 274 A CB 1.488 20.335 19.000 -0.255 0.000 1.213 274 A HN 1.419 nan 8.150 nan 0.000 0.456 275 A N 1.885 124.310 122.820 -0.660 0.000 2.303 275 A HA 0.728 5.048 4.320 -0.000 0.000 0.320 275 A C -0.188 177.370 177.584 -0.044 0.000 1.192 275 A CA -0.268 51.628 52.037 -0.235 0.000 0.821 275 A CB 0.577 19.504 19.000 -0.123 0.000 1.188 275 A HN 2.094 nan 8.150 nan 0.000 0.492 276 V N -0.042 119.895 119.914 0.037 0.000 2.962 276 V HA 0.594 4.714 4.120 -0.000 0.000 0.313 276 V C -0.348 175.817 176.094 0.118 0.000 1.099 276 V CA -1.250 61.121 62.300 0.120 0.000 0.971 276 V CB 1.513 33.452 31.823 0.194 0.000 1.028 276 V HN 0.824 nan 8.190 nan 0.000 0.430 277 K N 1.722 122.201 120.400 0.133 0.000 2.258 277 K HA 0.667 4.987 4.320 -0.000 0.000 0.264 277 K C 0.347 176.982 176.600 0.057 0.000 1.007 277 K CA 0.195 56.537 56.287 0.093 0.000 0.941 277 K CB 1.364 33.918 32.500 0.090 0.000 0.966 277 K HN 1.094 nan 8.250 nan 0.000 0.480 278 A N 3.635 126.442 122.820 -0.022 0.000 2.388 278 A HA 0.308 4.628 4.320 -0.000 0.000 0.257 278 A C -2.271 175.248 177.584 -0.108 0.000 1.095 278 A CA -1.328 50.624 52.037 -0.141 0.000 0.791 278 A CB -0.146 18.790 19.000 -0.107 0.000 1.029 278 A HN 0.369 nan 8.150 nan 0.000 0.489 279 P HA 0.434 nan 4.420 nan 0.000 0.275 279 P C 0.849 178.155 177.300 0.010 0.000 1.227 279 P CA 1.526 64.581 63.100 -0.076 0.000 0.781 279 P CB 0.825 32.414 31.700 -0.186 0.000 0.906 280 G N 2.081 110.944 108.800 0.105 0.000 2.562 280 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.250 280 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.250 280 G C -0.920 174.163 174.900 0.306 0.000 1.269 280 G CA 0.124 45.345 45.100 0.202 0.000 0.919 280 G HN 0.697 nan 8.290 nan 0.000 0.574 281 F N -2.214 117.743 119.950 0.011 0.000 2.693 281 F HA 0.729 5.256 4.527 -0.000 0.000 0.309 281 F C 1.041 176.849 175.800 0.013 0.000 1.129 281 F CA 0.508 58.516 58.000 0.013 0.000 0.948 281 F CB 0.993 40.007 39.000 0.024 0.000 1.315 281 F HN 2.464 nan 8.300 nan 0.000 0.447 282 G N 1.902 110.642 108.800 -0.099 0.000 2.675 282 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.312 282 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.312 282 G C 0.509 175.302 174.900 -0.178 0.000 1.186 282 G CA 0.863 45.849 45.100 -0.189 0.000 0.965 282 G HN 0.819 nan 8.290 nan 0.000 0.548 283 D N 0.886 121.139 120.400 -0.243 0.000 2.162 283 D HA 0.037 4.677 4.640 -0.000 0.000 0.205 283 D C 2.489 178.701 176.300 -0.147 0.000 0.964 283 D CA 1.440 55.344 54.000 -0.159 0.000 0.847 283 D CB -0.219 40.497 40.800 -0.140 0.000 0.988 283 D HN 0.666 nan 8.370 nan 0.000 0.480 284 R N 0.884 121.269 120.500 -0.191 0.000 2.299 284 R HA 0.129 4.469 4.340 -0.000 0.000 0.197 284 R C 1.916 178.153 176.300 -0.104 0.000 0.971 284 R CA 0.314 56.331 56.100 -0.138 0.000 1.030 284 R CB 0.021 30.235 30.300 -0.142 0.000 0.932 284 R HN -0.007 nan 8.270 nan 0.000 0.477 285 R N 1.617 122.054 120.500 -0.104 0.000 2.055 285 R HA -0.037 4.303 4.340 -0.000 0.000 0.226 285 R C 1.238 177.493 176.300 -0.075 0.000 1.135 285 R CA 1.448 57.509 56.100 -0.066 0.000 0.959 285 R CB -0.061 30.222 30.300 -0.028 0.000 0.854 285 R HN 0.228 nan 8.270 nan 0.000 0.431 286 K N 0.561 120.919 120.400 -0.070 0.000 2.032 286 K HA -0.089 4.231 4.320 -0.000 0.000 0.209 286 K C 2.183 178.745 176.600 -0.062 0.000 1.048 286 K CA 1.645 57.896 56.287 -0.060 0.000 0.927 286 K CB -0.271 32.197 32.500 -0.052 0.000 0.712 286 K HN 0.246 nan 8.250 nan 0.000 0.441 287 A N 1.129 123.909 122.820 -0.066 0.000 2.019 287 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 287 A C 2.026 179.572 177.584 -0.062 0.000 1.164 287 A CA 1.405 53.406 52.037 -0.060 0.000 0.644 287 A CB -0.423 18.539 19.000 -0.063 0.000 0.805 287 A HN 0.230 nan 8.150 nan 0.000 0.449 288 M N -1.048 118.507 119.600 -0.075 0.000 2.541 288 M HA 0.163 4.643 4.480 -0.000 0.000 0.252 288 M C 1.483 177.718 176.300 -0.109 0.000 1.125 288 M CA 0.496 55.744 55.300 -0.087 0.000 1.091 288 M CB -0.038 32.502 32.600 -0.101 0.000 1.420 288 M HN 0.367 nan 8.290 nan 0.000 0.486 289 L N -0.448 120.716 121.223 -0.097 0.000 2.341 289 L HA -0.127 4.213 4.340 -0.000 0.000 0.214 289 L C 2.296 179.128 176.870 -0.063 0.000 1.115 289 L CA 0.676 55.460 54.840 -0.093 0.000 0.820 289 L CB -0.121 41.893 42.059 -0.075 0.000 0.944 289 L HN 0.254 nan 8.230 nan 0.000 0.452 290 Q N -0.268 119.500 119.800 -0.053 0.000 2.376 290 Q HA -0.102 4.238 4.340 -0.000 0.000 0.206 290 Q C 1.373 177.353 176.000 -0.033 0.000 0.921 290 Q CA 0.951 56.732 55.803 -0.037 0.000 0.911 290 Q CB 0.182 28.901 28.738 -0.033 0.000 1.032 290 Q HN 0.242 nan 8.270 nan 0.000 0.510 291 D N -0.631 119.744 120.400 -0.042 0.000 2.310 291 D HA -0.045 4.595 4.640 -0.000 0.000 0.212 291 D C 1.120 177.406 176.300 -0.023 0.000 0.965 291 D CA 0.871 54.852 54.000 -0.032 0.000 0.879 291 D CB 0.242 41.020 40.800 -0.036 0.000 0.921 291 D HN 0.393 nan 8.370 nan 0.000 0.510 292 I N -0.336 120.213 120.570 -0.034 0.000 3.039 292 I HA 0.066 4.236 4.170 -0.000 0.000 0.270 292 I C 2.307 178.419 176.117 -0.007 0.000 1.150 292 I CA 0.335 61.624 61.300 -0.019 0.000 1.448 292 I CB -0.168 37.804 38.000 -0.047 0.000 1.197 292 I HN -0.147 nan 8.210 nan 0.000 0.450 293 A N 1.004 123.815 122.820 -0.015 0.000 1.978 293 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 293 A C 2.340 179.924 177.584 0.000 0.000 1.170 293 A CA 2.596 54.631 52.037 -0.004 0.000 0.636 293 A CB -1.133 17.862 19.000 -0.008 0.000 0.810 293 A HN 0.433 nan 8.150 nan 0.000 0.448 294 T N 0.042 114.593 114.554 -0.005 0.000 2.812 294 T HA -0.025 4.325 4.350 -0.000 0.000 0.264 294 T C 1.788 176.488 174.700 0.001 0.000 1.042 294 T CA 0.985 63.083 62.100 -0.003 0.000 1.140 294 T CB -0.238 68.626 68.868 -0.006 0.000 0.870 294 T HN 0.297 nan 8.240 nan 0.000 0.445 295 L N 2.276 123.501 121.223 0.003 0.000 2.201 295 L HA -0.046 4.294 4.340 -0.000 0.000 0.212 295 L C 2.102 178.976 176.870 0.008 0.000 1.105 295 L CA 2.055 56.899 54.840 0.007 0.000 0.775 295 L CB -1.128 40.939 42.059 0.014 0.000 0.913 295 L HN 0.480 nan 8.230 nan 0.000 0.440 296 T N -5.214 109.345 114.554 0.009 0.000 2.971 296 T HA 0.281 4.630 4.350 -0.000 0.000 0.252 296 T C 1.280 175.986 174.700 0.011 0.000 1.022 296 T CA 0.503 62.608 62.100 0.008 0.000 0.980 296 T CB 0.421 69.298 68.868 0.015 0.000 1.044 296 T HN 0.405 nan 8.240 nan 0.000 0.501 297 G N 0.823 109.630 108.800 0.012 0.000 2.149 297 G HA2 0.074 4.034 3.960 -0.000 0.000 0.235 297 G HA3 0.074 4.034 3.960 -0.000 0.000 0.235 297 G C 0.357 175.273 174.900 0.026 0.000 1.018 297 G CA -0.130 44.980 45.100 0.016 0.000 0.728 297 G HN 0.995 nan 8.290 nan 0.000 0.508 298 G N -1.521 107.295 108.800 0.027 0.000 2.671 298 G HA2 0.807 4.767 3.960 -0.000 0.000 0.275 298 G HA3 0.807 4.767 3.960 -0.000 0.000 0.275 298 G C -0.413 174.499 174.900 0.019 0.000 1.368 298 G CA 0.243 45.364 45.100 0.034 0.000 1.044 298 G HN 0.774 nan 8.290 nan 0.000 0.543 299 T N -0.095 114.469 114.554 0.018 0.000 2.928 299 T HA 0.418 4.768 4.350 -0.000 0.000 0.296 299 T C -0.321 174.380 174.700 0.002 0.000 1.000 299 T CA -0.326 61.779 62.100 0.007 0.000 0.989 299 T CB 1.790 70.662 68.868 0.006 0.000 1.005 299 T HN 0.362 nan 8.240 nan 0.000 0.442 300 V N 4.305 124.216 119.914 -0.006 0.000 2.521 300 V HA 0.234 4.354 4.120 -0.000 0.000 0.286 300 V C 0.307 176.396 176.094 -0.009 0.000 1.034 300 V CA -0.128 62.166 62.300 -0.011 0.000 1.045 300 V CB 0.106 31.917 31.823 -0.019 0.000 0.974 300 V HN 0.767 nan 8.190 nan 0.000 0.480 301 I N 5.191 125.756 120.570 -0.008 0.000 2.377 301 I HA 0.237 4.407 4.170 -0.000 0.000 0.282 301 I C 0.523 176.636 176.117 -0.007 0.000 1.091 301 I CA 0.026 61.323 61.300 -0.006 0.000 1.207 301 I CB 0.609 38.607 38.000 -0.004 0.000 1.429 301 I HN 0.683 nan 8.210 nan 0.000 0.491 302 S N 2.624 118.319 115.700 -0.009 0.000 2.525 302 S HA 0.329 4.799 4.470 -0.000 0.000 0.278 302 S C 0.746 175.343 174.600 -0.006 0.000 1.234 302 S CA -0.774 57.421 58.200 -0.009 0.000 1.058 302 S CB 1.688 64.880 63.200 -0.012 0.000 0.983 302 S HN 0.563 nan 8.310 nan 0.000 0.495 303 E N 1.662 121.860 120.200 -0.005 0.000 2.268 303 E HA -0.135 4.215 4.350 -0.000 0.000 0.195 303 E C 1.359 177.957 176.600 -0.004 0.000 0.995 303 E CA 0.883 57.281 56.400 -0.003 0.000 0.836 303 E CB -0.064 29.635 29.700 -0.001 0.000 0.763 303 E HN 0.803 nan 8.360 nan 0.000 0.491 304 E N 0.638 120.835 120.200 -0.006 0.000 2.150 304 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 304 E C 1.885 178.481 176.600 -0.007 0.000 0.985 304 E CA 0.786 57.182 56.400 -0.007 0.000 0.814 304 E CB 0.026 29.721 29.700 -0.009 0.000 0.752 304 E HN 0.313 nan 8.360 nan 0.000 0.466 305 I N -0.889 119.677 120.570 -0.007 0.000 3.030 305 I HA 0.054 4.224 4.170 -0.000 0.000 0.270 305 I C 1.508 177.622 176.117 -0.006 0.000 1.211 305 I CA 0.624 61.920 61.300 -0.007 0.000 1.479 305 I CB 0.376 38.371 38.000 -0.008 0.000 1.105 305 I HN 0.254 nan 8.210 nan 0.000 0.447 306 G N 0.820 109.617 108.800 -0.005 0.000 2.192 306 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.193 306 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.193 306 G C 0.277 175.174 174.900 -0.004 0.000 0.999 306 G CA -0.549 44.549 45.100 -0.004 0.000 0.659 306 G HN 0.159 nan 8.290 nan 0.000 0.503 307 M N 1.352 120.949 119.600 -0.005 0.000 2.185 307 M HA 0.455 4.935 4.480 -0.000 0.000 0.357 307 M C 0.507 176.804 176.300 -0.005 0.000 1.260 307 M CA 0.306 55.603 55.300 -0.005 0.000 1.124 307 M CB 0.758 33.355 32.600 -0.006 0.000 1.600 307 M HN 0.244 nan 8.290 nan 0.000 0.467 308 E N 1.894 122.091 120.200 -0.005 0.000 2.239 308 E HA 0.301 4.651 4.350 -0.000 0.000 0.261 308 E C 0.269 176.866 176.600 -0.006 0.000 1.016 308 E CA -0.589 55.808 56.400 -0.004 0.000 0.882 308 E CB 1.382 31.080 29.700 -0.004 0.000 1.190 308 E HN 0.628 nan 8.360 nan 0.000 0.415 309 L N 0.660 121.880 121.223 -0.005 0.000 2.375 309 L HA -0.002 4.338 4.340 -0.000 0.000 0.215 309 L C 1.730 178.595 176.870 -0.010 0.000 1.108 309 L CA 0.669 55.506 54.840 -0.006 0.000 0.830 309 L CB -0.131 41.926 42.059 -0.003 0.000 0.959 309 L HN 0.488 nan 8.230 nan 0.000 0.457 310 E N 0.400 120.595 120.200 -0.008 0.000 2.106 310 E HA -0.116 4.234 4.350 -0.000 0.000 0.192 310 E C 1.560 178.152 176.600 -0.013 0.000 0.984 310 E CA 0.736 57.130 56.400 -0.010 0.000 0.806 310 E CB 0.071 29.766 29.700 -0.007 0.000 0.750 310 E HN 0.153 nan 8.360 nan 0.000 0.458 311 K N 0.573 120.966 120.400 -0.012 0.000 2.569 311 K HA 0.166 4.486 4.320 -0.000 0.000 0.193 311 K C -0.002 176.588 176.600 -0.016 0.000 1.026 311 K CA 0.092 56.371 56.287 -0.012 0.000 1.093 311 K CB 0.173 32.667 32.500 -0.009 0.000 0.849 311 K HN 0.043 nan 8.250 nan 0.000 0.509 312 A N 1.477 124.285 122.820 -0.019 0.000 2.310 312 A HA 0.400 4.720 4.320 -0.000 0.000 0.299 312 A C 0.550 178.113 177.584 -0.036 0.000 1.147 312 A CA -0.347 51.676 52.037 -0.024 0.000 0.818 312 A CB 0.557 19.544 19.000 -0.022 0.000 1.096 312 A HN 0.259 nan 8.150 nan 0.000 0.495 313 T N -0.815 113.715 114.554 -0.040 0.000 2.773 313 T HA 0.534 4.884 4.350 -0.000 0.000 0.278 313 T C 0.856 175.510 174.700 -0.078 0.000 1.011 313 T CA -0.610 61.456 62.100 -0.056 0.000 1.014 313 T CB 0.404 69.248 68.868 -0.040 0.000 1.293 313 T HN 0.270 nan 8.240 nan 0.000 0.554 314 L N 0.106 121.264 121.223 -0.108 0.000 2.217 314 L HA 0.119 4.459 4.340 -0.000 0.000 0.211 314 L C 2.868 179.709 176.870 -0.048 0.000 1.107 314 L CA 1.282 56.020 54.840 -0.170 0.000 0.783 314 L CB -0.365 41.553 42.059 -0.235 0.000 0.919 314 L HN 0.838 nan 8.230 nan 0.000 0.442 315 E N -0.036 120.158 120.200 -0.010 0.000 2.347 315 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 315 E C 1.096 177.715 176.600 0.031 0.000 1.008 315 E CA 0.661 57.078 56.400 0.028 0.000 0.852 315 E CB 0.234 29.944 29.700 0.017 0.000 0.783 315 E HN 0.463 nan 8.360 nan 0.000 0.505 316 D N 0.094 120.502 120.400 0.014 0.000 2.277 316 D HA -0.052 4.588 4.640 -0.000 0.000 0.208 316 D C 0.031 176.354 176.300 0.037 0.000 0.962 316 D CA 0.369 54.379 54.000 0.017 0.000 0.865 316 D CB 0.132 40.933 40.800 0.001 0.000 0.939 316 D HN 0.122 nan 8.370 nan 0.000 0.510 317 L N 1.486 122.745 121.223 0.059 0.000 2.325 317 L HA 0.292 4.632 4.340 -0.000 0.000 0.284 317 L C 1.326 178.300 176.870 0.173 0.000 1.089 317 L CA -0.172 54.741 54.840 0.122 0.000 0.836 317 L CB 0.806 42.957 42.059 0.154 0.000 1.184 317 L HN -0.154 nan 8.230 nan 0.000 0.444 318 G N 3.001 111.868 108.800 0.111 0.000 2.716 318 G HA2 0.315 4.275 3.960 -0.000 0.000 0.251 318 G HA3 0.315 4.275 3.960 -0.000 0.000 0.251 318 G C -0.611 174.330 174.900 0.070 0.000 1.224 318 G CA -0.216 44.931 45.100 0.078 0.000 0.891 318 G HN 0.584 nan 8.290 nan 0.000 0.561 319 Q N -1.688 118.114 119.800 0.003 0.000 2.435 319 Q HA 0.587 4.927 4.340 -0.000 0.000 0.282 319 Q C -0.956 175.001 176.000 -0.071 0.000 1.020 319 Q CA -0.758 54.994 55.803 -0.085 0.000 0.820 319 Q CB 2.176 30.813 28.738 -0.170 0.000 1.436 319 Q HN 0.967 nan 8.270 nan 0.000 0.395 320 A N 1.509 124.271 122.820 -0.097 0.000 2.564 320 A HA 0.496 4.816 4.320 -0.000 0.000 0.288 320 A C -0.649 176.887 177.584 -0.080 0.000 1.164 320 A CA -0.552 51.447 52.037 -0.064 0.000 0.712 320 A CB 1.542 20.523 19.000 -0.033 0.000 1.303 320 A HN 0.765 nan 8.150 nan 0.000 0.418 321 K N -0.738 119.629 120.400 -0.054 0.000 2.262 321 K HA 0.142 4.462 4.320 -0.000 0.000 0.200 321 K C 0.433 177.007 176.600 -0.044 0.000 1.049 321 K CA 0.867 57.123 56.287 -0.052 0.000 0.979 321 K CB 0.281 32.759 32.500 -0.036 0.000 0.773 321 K HN 0.521 nan 8.250 nan 0.000 0.474 322 R N 0.026 120.505 120.500 -0.035 0.000 2.736 322 R HA 0.120 4.460 4.340 -0.000 0.000 0.250 322 R C -1.987 174.303 176.300 -0.017 0.000 1.098 322 R CA -0.456 55.629 56.100 -0.025 0.000 0.978 322 R CB 1.581 31.869 30.300 -0.019 0.000 1.263 322 R HN -0.067 nan 8.270 nan 0.000 0.460 323 V N 0.688 120.594 119.914 -0.013 0.000 2.656 323 V HA 0.810 4.930 4.120 -0.000 0.000 0.307 323 V C -0.760 175.330 176.094 -0.006 0.000 1.051 323 V CA -0.743 61.552 62.300 -0.008 0.000 0.893 323 V CB 1.930 33.753 31.823 0.001 0.000 0.999 323 V HN 0.395 nan 8.190 nan 0.000 0.426 324 V N 5.154 125.058 119.914 -0.016 0.000 2.581 324 V HA 0.624 4.744 4.120 -0.000 0.000 0.303 324 V C -0.246 175.836 176.094 -0.021 0.000 1.041 324 V CA -0.440 61.856 62.300 -0.007 0.000 0.907 324 V CB 1.705 33.525 31.823 -0.006 0.000 0.994 324 V HN 0.859 nan 8.190 nan 0.000 0.442 325 I N 3.921 124.507 120.570 0.027 0.000 2.517 325 I HA 0.378 4.548 4.170 -0.000 0.000 0.280 325 I C -0.196 176.004 176.117 0.140 0.000 1.061 325 I CA -0.415 60.914 61.300 0.047 0.000 1.091 325 I CB 1.477 39.538 38.000 0.103 0.000 1.205 325 I HN 0.551 nan 8.210 nan 0.000 0.459 326 N N 4.225 122.941 118.700 0.027 0.000 2.332 326 N HA 0.156 4.896 4.740 -0.000 0.000 0.282 326 N C 1.185 176.568 175.510 -0.211 0.000 1.288 326 N CA -0.289 52.776 53.050 0.025 0.000 0.949 326 N CB 0.636 39.108 38.487 -0.026 0.000 1.108 326 N HN 0.486 nan 8.380 nan 0.000 0.542 327 K N -0.054 120.201 120.400 -0.242 0.000 2.209 327 K HA -0.149 4.171 4.320 -0.000 0.000 0.204 327 K C -0.451 175.846 176.600 -0.506 0.000 1.048 327 K CA 1.807 57.760 56.287 -0.557 0.000 0.940 327 K CB 0.061 32.452 32.500 -0.181 0.000 0.729 327 K HN 0.600 nan 8.250 nan 0.000 0.451 328 D N -2.007 118.224 120.400 -0.281 0.000 2.523 328 D HA 0.075 4.715 4.640 -0.000 0.000 0.269 328 D C -0.822 175.391 176.300 -0.144 0.000 1.374 328 D CA -0.382 53.510 54.000 -0.181 0.000 0.820 328 D CB 0.955 41.691 40.800 -0.106 0.000 1.211 328 D HN -0.150 nan 8.370 nan 0.000 0.502 329 T N 0.099 114.550 114.554 -0.172 0.000 2.971 329 T HA 0.582 4.932 4.350 -0.000 0.000 0.304 329 T C -0.822 173.723 174.700 -0.258 0.000 1.038 329 T CA -0.511 61.466 62.100 -0.206 0.000 1.007 329 T CB 2.151 70.936 68.868 -0.138 0.000 1.055 329 T HN -0.148 nan 8.240 nan 0.000 0.451 330 T N 2.281 116.542 114.554 -0.488 0.000 2.824 330 T HA 0.647 4.997 4.350 -0.000 0.000 0.280 330 T C -0.133 174.261 174.700 -0.509 0.000 0.995 330 T CA -0.552 61.265 62.100 -0.472 0.000 1.009 330 T CB 1.601 70.172 68.868 -0.496 0.000 0.955 330 T HN 0.605 nan 8.240 nan 0.000 0.452 331 T N 3.172 117.584 114.554 -0.237 0.000 2.812 331 T HA 0.648 4.998 4.350 -0.000 0.000 0.282 331 T C -0.662 174.002 174.700 -0.059 0.000 0.990 331 T CA -0.743 61.272 62.100 -0.142 0.000 0.960 331 T CB 0.091 68.904 68.868 -0.091 0.000 0.948 331 T HN 0.463 nan 8.240 nan 0.000 0.438 332 I N 6.166 126.731 120.570 -0.009 0.000 2.321 332 I HA 0.451 4.621 4.170 -0.000 0.000 0.291 332 I C -0.255 175.868 176.117 0.010 0.000 0.998 332 I CA -0.787 60.528 61.300 0.024 0.000 1.227 332 I CB 1.431 39.475 38.000 0.073 0.000 1.368 332 I HN 0.543 nan 8.210 nan 0.000 0.466 333 I N 5.784 126.353 120.570 -0.001 0.000 2.354 333 I HA 0.280 4.450 4.170 -0.000 0.000 0.286 333 I C -0.693 175.419 176.117 -0.009 0.000 1.007 333 I CA -0.324 60.972 61.300 -0.006 0.000 1.167 333 I CB 1.015 39.009 38.000 -0.011 0.000 1.320 333 I HN 0.608 nan 8.210 nan 0.000 0.458 334 D N 5.116 125.512 120.400 -0.007 0.000 3.585 334 D HA -0.103 4.537 4.640 -0.000 0.000 0.251 334 D C 0.216 176.508 176.300 -0.013 0.000 1.065 334 D CA 0.772 54.766 54.000 -0.010 0.000 1.048 334 D CB -0.275 40.516 40.800 -0.015 0.000 0.952 334 D HN 0.823 nan 8.370 nan 0.000 0.421 335 G N 1.093 109.889 108.800 -0.006 0.000 2.343 335 G HA2 0.332 4.292 3.960 -0.000 0.000 0.254 335 G HA3 0.332 4.292 3.960 -0.000 0.000 0.254 335 G C 1.578 176.472 174.900 -0.011 0.000 1.277 335 G CA -0.190 44.906 45.100 -0.007 0.000 0.909 335 G HN 0.384 nan 8.290 nan 0.000 0.502 336 V N 3.505 123.408 119.914 -0.018 0.000 2.453 336 V HA -0.127 3.993 4.120 -0.000 0.000 0.252 336 V C 2.395 178.485 176.094 -0.006 0.000 1.068 336 V CA 1.604 63.894 62.300 -0.016 0.000 1.070 336 V CB -1.289 30.520 31.823 -0.023 0.000 0.664 336 V HN 0.861 nan 8.190 nan 0.000 0.461 337 G N 0.879 109.678 108.800 -0.002 0.000 2.464 337 G HA2 0.041 4.001 3.960 -0.000 0.000 0.231 337 G HA3 0.041 4.001 3.960 -0.000 0.000 0.231 337 G C -0.054 174.846 174.900 0.000 0.000 1.267 337 G CA -0.302 44.799 45.100 0.001 0.000 0.863 337 G HN 0.393 nan 8.290 nan 0.000 0.559 338 E N 1.330 121.530 120.200 0.001 0.000 2.354 338 E HA 0.051 4.401 4.350 -0.000 0.000 0.269 338 E C 1.156 177.756 176.600 -0.001 0.000 1.036 338 E CA -0.148 56.252 56.400 -0.000 0.000 0.876 338 E CB 1.295 30.995 29.700 0.000 0.000 1.009 338 E HN 0.709 nan 8.360 nan 0.000 0.416 339 E N 1.315 121.515 120.200 -0.001 0.000 2.338 339 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 339 E C 1.467 178.066 176.600 -0.002 0.000 1.007 339 E CA 0.914 57.313 56.400 -0.002 0.000 0.849 339 E CB 0.050 29.749 29.700 -0.002 0.000 0.774 339 E HN 0.519 nan 8.360 nan 0.000 0.506 340 A N 1.401 124.220 122.820 -0.002 0.000 1.970 340 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 340 A C 2.350 179.933 177.584 -0.002 0.000 1.170 340 A CA 1.099 53.134 52.037 -0.002 0.000 0.645 340 A CB -0.248 18.751 19.000 -0.002 0.000 0.816 340 A HN 0.277 nan 8.150 nan 0.000 0.447 341 A N 0.053 122.872 122.820 -0.002 0.000 1.897 341 A HA 0.048 4.368 4.320 -0.000 0.000 0.215 341 A C 2.072 179.654 177.584 -0.003 0.000 1.181 341 A CA 1.269 53.304 52.037 -0.002 0.000 0.620 341 A CB -0.490 18.510 19.000 -0.001 0.000 0.821 341 A HN 0.457 nan 8.150 nan 0.000 0.443 342 I N -1.058 119.510 120.570 -0.003 0.000 2.133 342 I HA -0.241 3.929 4.170 -0.000 0.000 0.238 342 I C 2.722 178.836 176.117 -0.004 0.000 1.074 342 I CA 1.714 63.013 61.300 -0.003 0.000 1.342 342 I CB -0.307 37.692 38.000 -0.001 0.000 1.053 342 I HN 0.306 nan 8.210 nan 0.000 0.404 343 Q N 1.136 120.934 119.800 -0.004 0.000 2.224 343 Q HA -0.086 4.254 4.340 -0.000 0.000 0.203 343 Q C 2.008 178.005 176.000 -0.006 0.000 0.970 343 Q CA 1.597 57.397 55.803 -0.005 0.000 0.865 343 Q CB -0.495 28.241 28.738 -0.004 0.000 0.922 343 Q HN 0.506 nan 8.270 nan 0.000 0.445 344 G N -0.216 108.581 108.800 -0.006 0.000 2.422 344 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 344 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 344 G C 1.561 176.455 174.900 -0.009 0.000 1.146 344 G CA 0.780 45.876 45.100 -0.007 0.000 0.769 344 G HN 0.266 nan 8.290 nan 0.000 0.547 345 R N 0.096 120.591 120.500 -0.009 0.000 2.092 345 R HA 0.046 4.386 4.340 -0.000 0.000 0.231 345 R C 2.588 178.880 176.300 -0.013 0.000 1.119 345 R CA 1.074 57.166 56.100 -0.012 0.000 0.970 345 R CB -0.728 29.565 30.300 -0.012 0.000 0.864 345 R HN 0.229 nan 8.270 nan 0.000 0.440 346 V N 0.370 120.278 119.914 -0.010 0.000 2.358 346 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 346 V C 2.233 178.320 176.094 -0.011 0.000 1.047 346 V CA 1.900 64.194 62.300 -0.010 0.000 1.035 346 V CB -0.736 31.083 31.823 -0.008 0.000 0.658 346 V HN 0.500 nan 8.190 nan 0.000 0.452 347 A N -1.253 121.561 122.820 -0.010 0.000 2.014 347 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 347 A C 2.164 179.741 177.584 -0.012 0.000 1.163 347 A CA 1.337 53.368 52.037 -0.010 0.000 0.652 347 A CB -0.346 18.649 19.000 -0.008 0.000 0.808 347 A HN 0.599 nan 8.150 nan 0.000 0.449 348 Q N -0.253 119.539 119.800 -0.013 0.000 2.002 348 Q HA -0.170 4.170 4.340 -0.000 0.000 0.204 348 Q C 2.044 178.033 176.000 -0.018 0.000 0.988 348 Q CA 1.925 57.719 55.803 -0.015 0.000 0.843 348 Q CB -0.365 28.364 28.738 -0.016 0.000 0.908 348 Q HN 0.774 nan 8.270 nan 0.000 0.420 349 I N -0.038 120.520 120.570 -0.020 0.000 2.179 349 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 349 I C 2.576 178.680 176.117 -0.023 0.000 1.088 349 I CA 1.045 62.330 61.300 -0.025 0.000 1.357 349 I CB -0.375 37.609 38.000 -0.026 0.000 1.051 349 I HN 0.136 nan 8.210 nan 0.000 0.409 350 R N 0.850 121.339 120.500 -0.018 0.000 2.117 350 R HA -0.241 4.099 4.340 -0.000 0.000 0.243 350 R C 2.423 178.715 176.300 -0.015 0.000 1.143 350 R CA 1.631 57.721 56.100 -0.016 0.000 0.968 350 R CB -0.222 30.071 30.300 -0.012 0.000 0.863 350 R HN 0.429 nan 8.270 nan 0.000 0.444 351 Q N 0.167 119.958 119.800 -0.014 0.000 2.123 351 Q HA -0.174 4.165 4.340 -0.000 0.000 0.199 351 Q C 1.533 177.525 176.000 -0.014 0.000 0.966 351 Q CA 1.377 57.172 55.803 -0.013 0.000 0.845 351 Q CB 0.179 28.910 28.738 -0.011 0.000 0.907 351 Q HN 0.523 nan 8.270 nan 0.000 0.439 352 Q N -0.064 119.725 119.800 -0.018 0.000 2.515 352 Q HA -0.024 4.316 4.340 -0.000 0.000 0.212 352 Q C 1.739 177.725 176.000 -0.023 0.000 0.970 352 Q CA 0.316 56.106 55.803 -0.021 0.000 0.941 352 Q CB 0.151 28.872 28.738 -0.027 0.000 0.998 352 Q HN 0.463 nan 8.270 nan 0.000 0.518 353 I N 0.665 121.223 120.570 -0.021 0.000 2.500 353 I HA -0.188 3.982 4.170 -0.000 0.000 0.252 353 I C 1.763 177.872 176.117 -0.014 0.000 1.142 353 I CA 0.795 62.083 61.300 -0.020 0.000 1.451 353 I CB 0.055 38.044 38.000 -0.018 0.000 1.093 353 I HN 0.149 nan 8.210 nan 0.000 0.430 354 E N 0.746 120.940 120.200 -0.011 0.000 2.318 354 E HA -0.078 4.272 4.350 -0.000 0.000 0.193 354 E C 1.312 177.908 176.600 -0.006 0.000 0.998 354 E CA 0.574 56.969 56.400 -0.008 0.000 0.859 354 E CB -0.036 29.660 29.700 -0.007 0.000 0.812 354 E HN 0.576 nan 8.360 nan 0.000 0.492 355 E N 0.976 121.171 120.200 -0.008 0.000 2.479 355 E HA 0.171 4.521 4.350 -0.000 0.000 0.193 355 E C 0.250 176.846 176.600 -0.006 0.000 1.049 355 E CA -0.155 56.240 56.400 -0.007 0.000 0.870 355 E CB 0.477 30.172 29.700 -0.009 0.000 0.944 355 E HN 0.038 nan 8.360 nan 0.000 0.492 356 A N 1.725 124.540 122.820 -0.007 0.000 2.438 356 A HA 0.068 4.388 4.320 -0.000 0.000 0.280 356 A C 1.240 178.827 177.584 0.005 0.000 1.160 356 A CA -0.074 51.960 52.037 -0.005 0.000 0.821 356 A CB -0.216 18.777 19.000 -0.011 0.000 1.101 356 A HN 0.208 nan 8.150 nan 0.000 0.515 357 T N -0.295 114.265 114.554 0.010 0.000 3.129 357 T HA 0.279 4.629 4.350 -0.000 0.000 0.251 357 T C 0.638 175.354 174.700 0.026 0.000 1.117 357 T CA 0.553 62.662 62.100 0.015 0.000 1.034 357 T CB -0.193 68.683 68.868 0.013 0.000 0.968 357 T HN 0.685 nan 8.240 nan 0.000 0.526 358 S N -0.494 115.227 115.700 0.035 0.000 2.564 358 S HA 0.368 4.838 4.470 -0.000 0.000 0.274 358 S C -0.222 174.415 174.600 0.062 0.000 1.124 358 S CA -0.707 57.528 58.200 0.058 0.000 0.869 358 S CB 1.655 64.910 63.200 0.091 0.000 1.105 358 S HN 0.091 nan 8.310 nan 0.000 0.472 359 D N 1.359 121.805 120.400 0.077 0.000 2.277 359 D HA -0.032 4.608 4.640 -0.000 0.000 0.208 359 D C 1.107 177.469 176.300 0.105 0.000 0.962 359 D CA 1.038 55.081 54.000 0.072 0.000 0.865 359 D CB -0.030 40.809 40.800 0.066 0.000 0.939 359 D HN 0.659 nan 8.370 nan 0.000 0.510 360 Y N 2.145 122.452 120.300 0.011 0.000 2.176 360 Y HA -0.119 4.431 4.550 -0.000 0.000 0.291 360 Y C 1.528 177.435 175.900 0.012 0.000 1.122 360 Y CA 1.466 59.576 58.100 0.015 0.000 1.128 360 Y CB -0.263 38.209 38.460 0.021 0.000 1.005 360 Y HN -0.246 nan 8.280 nan 0.000 0.509 361 D N 0.240 120.600 120.400 -0.067 0.000 2.126 361 D HA -0.249 4.391 4.640 -0.000 0.000 0.190 361 D C 2.252 178.454 176.300 -0.164 0.000 1.001 361 D CA 2.109 56.009 54.000 -0.166 0.000 0.841 361 D CB -0.382 40.407 40.800 -0.018 0.000 0.949 361 D HN 0.266 nan 8.370 nan 0.000 0.446 362 R N 0.474 120.928 120.500 -0.076 0.000 2.096 362 R HA -0.196 4.144 4.340 -0.000 0.000 0.240 362 R C 1.954 178.207 176.300 -0.079 0.000 1.139 362 R CA 1.663 57.728 56.100 -0.058 0.000 0.952 362 R CB -0.068 30.220 30.300 -0.020 0.000 0.854 362 R HN 0.309 nan 8.270 nan 0.000 0.436 363 E N -0.403 119.741 120.200 -0.094 0.000 2.204 363 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 363 E C 1.798 178.320 176.600 -0.130 0.000 0.989 363 E CA 0.677 57.025 56.400 -0.086 0.000 0.824 363 E CB 0.184 29.856 29.700 -0.047 0.000 0.756 363 E HN 0.119 nan 8.360 nan 0.000 0.477 364 K N 0.375 120.634 120.400 -0.234 0.000 2.243 364 K HA 0.024 4.344 4.320 -0.000 0.000 0.201 364 K C 1.978 178.496 176.600 -0.136 0.000 1.051 364 K CA 0.539 56.688 56.287 -0.229 0.000 0.970 364 K CB 0.089 32.357 32.500 -0.387 0.000 0.755 364 K HN 0.206 nan 8.250 nan 0.000 0.465 365 L N 0.363 121.514 121.223 -0.119 0.000 2.209 365 L HA -0.050 4.290 4.340 -0.000 0.000 0.207 365 L C 2.214 179.052 176.870 -0.054 0.000 1.094 365 L CA 0.784 55.578 54.840 -0.078 0.000 0.790 365 L CB -0.207 41.811 42.059 -0.069 0.000 0.932 365 L HN 0.127 nan 8.230 nan 0.000 0.447 366 Q N -0.063 119.706 119.800 -0.052 0.000 2.311 366 Q HA -0.146 4.194 4.340 -0.000 0.000 0.203 366 Q C 1.863 177.848 176.000 -0.026 0.000 0.954 366 Q CA 0.933 56.716 55.803 -0.033 0.000 0.885 366 Q CB 0.171 28.892 28.738 -0.029 0.000 0.963 366 Q HN 0.537 nan 8.270 nan 0.000 0.471 367 E N 0.291 120.471 120.200 -0.032 0.000 2.112 367 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 367 E C 1.960 178.554 176.600 -0.010 0.000 0.979 367 E CA 0.407 56.797 56.400 -0.017 0.000 0.814 367 E CB 0.096 29.786 29.700 -0.016 0.000 0.762 367 E HN 0.229 nan 8.360 nan 0.000 0.460 368 R N 0.772 121.260 120.500 -0.021 0.000 2.070 368 R HA -0.133 4.207 4.340 -0.000 0.000 0.232 368 R C 2.734 179.028 176.300 -0.010 0.000 1.138 368 R CA 1.805 57.896 56.100 -0.016 0.000 0.936 368 R CB -0.908 29.374 30.300 -0.030 0.000 0.839 368 R HN 0.201 nan 8.270 nan 0.000 0.429 369 V N -1.082 118.823 119.914 -0.015 0.000 2.469 369 V HA -0.145 3.975 4.120 -0.000 0.000 0.251 369 V C 2.292 178.382 176.094 -0.006 0.000 1.064 369 V CA 1.871 64.164 62.300 -0.011 0.000 1.066 369 V CB -1.052 30.762 31.823 -0.014 0.000 0.667 369 V HN 0.291 nan 8.190 nan 0.000 0.461 370 A N 0.127 122.945 122.820 -0.004 0.000 2.014 370 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 370 A C 2.324 179.910 177.584 0.005 0.000 1.163 370 A CA 1.555 53.591 52.037 -0.001 0.000 0.652 370 A CB -0.388 18.611 19.000 -0.002 0.000 0.808 370 A HN 0.616 nan 8.150 nan 0.000 0.449 371 K N -0.908 119.498 120.400 0.010 0.000 2.076 371 K HA 0.042 4.362 4.320 -0.000 0.000 0.204 371 K C 1.643 178.255 176.600 0.019 0.000 1.051 371 K CA 0.944 57.244 56.287 0.021 0.000 0.949 371 K CB -0.256 32.267 32.500 0.037 0.000 0.726 371 K HN 0.312 nan 8.250 nan 0.000 0.443 372 L N 0.763 121.993 121.223 0.013 0.000 2.013 372 L HA -0.036 4.304 4.340 -0.000 0.000 0.204 372 L C 2.389 179.262 176.870 0.005 0.000 1.081 372 L CA 1.695 56.541 54.840 0.009 0.000 0.751 372 L CB -0.792 41.269 42.059 0.004 0.000 0.901 372 L HN 0.093 nan 8.230 nan 0.000 0.440 373 A N -0.591 122.230 122.820 0.001 0.000 2.067 373 A HA -0.045 4.275 4.320 -0.000 0.000 0.219 373 A C 2.292 179.876 177.584 -0.001 0.000 1.158 373 A CA 1.500 53.537 52.037 -0.001 0.000 0.661 373 A CB -1.255 17.743 19.000 -0.003 0.000 0.801 373 A HN 0.473 nan 8.150 nan 0.000 0.452 374 G N -1.047 107.753 108.800 0.000 0.000 2.408 374 G HA2 0.346 4.306 3.960 -0.000 0.000 0.215 374 G HA3 0.346 4.306 3.960 -0.000 0.000 0.215 374 G C 1.236 176.136 174.900 -0.000 0.000 1.156 374 G CA 0.722 45.821 45.100 -0.001 0.000 0.793 374 G HN 1.570 nan 8.290 nan 0.000 0.535 375 G N -1.327 107.474 108.800 0.003 0.000 2.601 375 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.261 375 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.261 375 G C -0.480 174.420 174.900 0.000 0.000 1.289 375 G CA 0.023 45.124 45.100 0.003 0.000 0.920 375 G HN 1.076 nan 8.290 nan 0.000 0.571 376 V N 0.674 120.586 119.914 -0.002 0.000 2.524 376 V HA 0.667 4.787 4.120 -0.000 0.000 0.297 376 V C 0.718 176.806 176.094 -0.008 0.000 1.035 376 V CA -0.004 62.292 62.300 -0.006 0.000 0.867 376 V CB 1.161 32.981 31.823 -0.006 0.000 1.004 376 V HN 2.001 nan 8.190 nan 0.000 0.426 377 A N 5.284 128.098 122.820 -0.011 0.000 2.450 377 A HA 0.644 4.964 4.320 -0.000 0.000 0.255 377 A C -0.302 177.276 177.584 -0.011 0.000 1.096 377 A CA -0.059 51.972 52.037 -0.011 0.000 0.778 377 A CB 0.415 19.407 19.000 -0.012 0.000 1.031 377 A HN 0.753 nan 8.150 nan 0.000 0.494 378 V N 4.292 124.201 119.914 -0.009 0.000 2.459 378 V HA 0.377 4.497 4.120 -0.000 0.000 0.295 378 V C -0.177 175.913 176.094 -0.007 0.000 1.029 378 V CA -0.198 62.097 62.300 -0.008 0.000 0.874 378 V CB 1.424 33.242 31.823 -0.008 0.000 0.985 378 V HN 0.713 nan 8.190 nan 0.000 0.438 379 I N 4.849 125.416 120.570 -0.006 0.000 2.359 379 I HA 0.396 4.566 4.170 -0.000 0.000 0.284 379 I C 0.024 176.139 176.117 -0.003 0.000 1.018 379 I CA -0.465 60.833 61.300 -0.004 0.000 1.173 379 I CB 1.076 39.074 38.000 -0.004 0.000 1.326 379 I HN 0.494 nan 8.210 nan 0.000 0.462 380 K N 5.604 126.001 120.400 -0.004 0.000 2.248 380 K HA 0.463 4.783 4.320 -0.000 0.000 0.281 380 K C -0.714 175.884 176.600 -0.003 0.000 1.054 380 K CA -0.578 55.707 56.287 -0.003 0.000 0.903 380 K CB 2.000 34.498 32.500 -0.004 0.000 1.077 380 K HN 0.300 nan 8.250 nan 0.000 0.474 381 V N 2.868 122.780 119.914 -0.002 0.000 2.348 381 V HA 0.284 4.404 4.120 -0.000 0.000 0.270 381 V C 0.592 176.685 176.094 -0.002 0.000 1.037 381 V CA -0.706 61.593 62.300 -0.002 0.000 0.872 381 V CB 1.146 32.968 31.823 -0.001 0.000 1.002 381 V HN 0.899 nan 8.190 nan 0.000 0.464 382 G N 3.019 111.818 108.800 -0.002 0.000 2.356 382 G HA2 0.626 4.586 3.960 -0.000 0.000 0.322 382 G HA3 0.626 4.586 3.960 -0.000 0.000 0.322 382 G C 0.201 175.099 174.900 -0.002 0.000 1.125 382 G CA 0.187 45.286 45.100 -0.002 0.000 0.885 382 G HN 1.067 nan 8.290 nan 0.000 0.467 383 A N 0.851 123.669 122.820 -0.002 0.000 2.709 383 A HA 0.776 5.096 4.320 -0.000 0.000 0.212 383 A C 0.716 178.298 177.584 -0.002 0.000 1.280 383 A CA 0.988 53.023 52.037 -0.002 0.000 1.034 383 A CB -0.521 18.477 19.000 -0.002 0.000 1.255 383 A HN 2.746 nan 8.150 nan 0.000 0.547 384 A N -0.097 122.722 122.820 -0.003 0.000 2.434 384 A HA 0.482 4.802 4.320 -0.000 0.000 0.686 384 A C 0.947 178.529 177.584 -0.003 0.000 0.139 384 A CA 0.732 52.768 52.037 -0.003 0.000 0.029 384 A CB -2.484 16.514 19.000 -0.002 0.000 3.971 384 A HN 3.127 nan 8.150 nan 0.000 0.548 385 T N -0.223 114.329 114.554 -0.003 0.000 0.559 385 T HA -0.147 4.203 4.350 -0.000 0.000 0.772 385 T C 0.447 175.146 174.700 -0.003 0.000 0.992 385 T CA 1.771 63.870 62.100 -0.003 0.000 4.066 385 T CB -1.050 67.816 68.868 -0.003 0.000 2.296 385 T HN 2.123 nan 8.240 nan 0.000 0.396 386 E N 1.539 121.737 120.200 -0.003 0.000 2.284 386 E HA -0.164 4.186 4.350 -0.000 0.000 0.200 386 E C 1.927 178.526 176.600 -0.003 0.000 1.008 386 E CA 1.947 58.345 56.400 -0.003 0.000 0.829 386 E CB -0.095 29.603 29.700 -0.004 0.000 0.744 386 E HN 0.732 nan 8.360 nan 0.000 0.491 387 V N 0.646 120.558 119.914 -0.003 0.000 2.379 387 V HA -0.191 3.929 4.120 -0.000 0.000 0.245 387 V C 1.851 177.943 176.094 -0.003 0.000 1.044 387 V CA 1.896 64.194 62.300 -0.003 0.000 1.036 387 V CB -0.367 31.454 31.823 -0.003 0.000 0.664 387 V HN 0.236 nan 8.190 nan 0.000 0.453 388 E N -0.425 119.773 120.200 -0.003 0.000 2.285 388 E HA -0.094 4.256 4.350 -0.000 0.000 0.194 388 E C 2.120 178.719 176.600 -0.003 0.000 0.997 388 E CA 0.592 56.990 56.400 -0.003 0.000 0.845 388 E CB -0.130 29.569 29.700 -0.003 0.000 0.782 388 E HN 0.412 nan 8.360 nan 0.000 0.491 389 M N 1.140 120.738 119.600 -0.003 0.000 2.067 389 M HA -0.150 4.330 4.480 -0.000 0.000 0.260 389 M C 1.777 178.076 176.300 -0.002 0.000 1.069 389 M CA 1.552 56.851 55.300 -0.002 0.000 1.117 389 M CB -0.070 32.529 32.600 -0.003 0.000 1.334 389 M HN -0.106 nan 8.290 nan 0.000 0.407 390 K N -0.053 120.346 120.400 -0.002 0.000 2.155 390 K HA -0.119 4.201 4.320 -0.000 0.000 0.203 390 K C 1.898 178.497 176.600 -0.002 0.000 1.052 390 K CA 0.773 57.059 56.287 -0.002 0.000 0.948 390 K CB -0.387 32.111 32.500 -0.003 0.000 0.728 390 K HN 0.457 nan 8.250 nan 0.000 0.448 391 E N 1.642 121.840 120.200 -0.002 0.000 2.017 391 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 391 E C 1.970 178.569 176.600 -0.002 0.000 0.997 391 E CA 1.300 57.698 56.400 -0.003 0.000 0.804 391 E CB 0.071 29.770 29.700 -0.003 0.000 0.757 391 E HN 0.121 nan 8.360 nan 0.000 0.448 392 K N 0.880 121.279 120.400 -0.001 0.000 2.089 392 K HA -0.237 4.083 4.320 -0.000 0.000 0.210 392 K C 2.342 178.943 176.600 0.001 0.000 1.048 392 K CA 1.978 58.265 56.287 -0.001 0.000 0.926 392 K CB -0.154 32.345 32.500 -0.001 0.000 0.714 392 K HN -0.029 nan 8.250 nan 0.000 0.448 393 K N 0.069 120.469 120.400 0.001 0.000 2.034 393 K HA -0.230 4.090 4.320 -0.000 0.000 0.214 393 K C 1.947 178.550 176.600 0.005 0.000 1.051 393 K CA 1.729 58.017 56.287 0.003 0.000 0.931 393 K CB -0.263 32.238 32.500 0.002 0.000 0.715 393 K HN 0.218 nan 8.250 nan 0.000 0.446 394 A N 1.300 124.122 122.820 0.003 0.000 1.902 394 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 394 A C 2.115 179.702 177.584 0.005 0.000 1.181 394 A CA 1.481 53.519 52.037 0.002 0.000 0.623 394 A CB -0.503 18.496 19.000 -0.002 0.000 0.818 394 A HN 0.360 nan 8.150 nan 0.000 0.443 395 R N -0.627 119.875 120.500 0.003 0.000 2.091 395 R HA -0.107 4.233 4.340 -0.000 0.000 0.238 395 R C 2.039 178.345 176.300 0.010 0.000 1.136 395 R CA 1.567 57.670 56.100 0.004 0.000 0.959 395 R CB -0.571 29.730 30.300 0.002 0.000 0.856 395 R HN 0.434 nan 8.270 nan 0.000 0.437 396 V N 1.168 121.089 119.914 0.011 0.000 2.358 396 V HA -0.206 3.914 4.120 -0.000 0.000 0.246 396 V C 1.968 178.079 176.094 0.028 0.000 1.047 396 V CA 1.726 64.035 62.300 0.015 0.000 1.035 396 V CB -0.468 31.361 31.823 0.010 0.000 0.658 396 V HN 0.343 nan 8.190 nan 0.000 0.452 397 E N 0.125 120.343 120.200 0.031 0.000 2.130 397 E HA -0.255 4.095 4.350 -0.000 0.000 0.196 397 E C 1.902 178.549 176.600 0.079 0.000 0.998 397 E CA 1.627 58.060 56.400 0.054 0.000 0.806 397 E CB -0.165 29.557 29.700 0.038 0.000 0.738 397 E HN 0.649 nan 8.360 nan 0.000 0.459 398 D N 0.211 120.639 120.400 0.046 0.000 2.110 398 D HA -0.069 4.571 4.640 -0.000 0.000 0.202 398 D C 2.011 178.349 176.300 0.062 0.000 0.975 398 D CA 1.191 55.219 54.000 0.046 0.000 0.839 398 D CB -0.365 40.443 40.800 0.015 0.000 0.996 398 D HN 0.134 nan 8.370 nan 0.000 0.464 399 A N 1.297 124.140 122.820 0.039 0.000 1.892 399 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 399 A C 2.226 179.831 177.584 0.036 0.000 1.188 399 A CA 1.344 53.400 52.037 0.030 0.000 0.631 399 A CB -0.921 18.089 19.000 0.016 0.000 0.822 399 A HN 0.226 nan 8.150 nan 0.000 0.447 400 L N -0.928 120.318 121.223 0.037 0.000 1.970 400 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 400 L C 2.450 179.328 176.870 0.014 0.000 1.071 400 L CA 2.619 57.470 54.840 0.018 0.000 0.751 400 L CB -0.831 41.236 42.059 0.013 0.000 0.889 400 L HN 0.569 nan 8.230 nan 0.000 0.432 401 H N -0.673 118.394 119.070 -0.005 0.000 2.387 401 H HA -0.141 4.415 4.556 -0.000 0.000 0.299 401 H C 2.007 177.334 175.328 -0.001 0.000 1.099 401 H CA 1.536 57.581 56.048 -0.004 0.000 1.315 401 H CB 0.039 29.798 29.762 -0.004 0.000 1.380 401 H HN 0.546 nan 8.280 nan 0.000 0.513 402 A N 0.070 122.964 122.820 0.123 0.000 1.835 402 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 402 A C 2.575 180.180 177.584 0.035 0.000 1.199 402 A CA 2.341 54.420 52.037 0.070 0.000 0.615 402 A CB -1.063 17.965 19.000 0.047 0.000 0.838 402 A HN 0.452 nan 8.150 nan 0.000 0.444 403 T N -0.428 114.138 114.554 0.019 0.000 2.977 403 T HA -0.084 4.266 4.350 -0.000 0.000 0.271 403 T C 1.962 176.655 174.700 -0.012 0.000 1.105 403 T CA 0.988 63.090 62.100 0.003 0.000 1.116 403 T CB -0.215 68.652 68.868 -0.001 0.000 0.878 403 T HN 0.255 nan 8.240 nan 0.000 0.509 404 R N 1.452 121.935 120.500 -0.028 0.000 2.081 404 R HA 0.130 4.470 4.340 -0.000 0.000 0.235 404 R C 2.396 178.679 176.300 -0.028 0.000 1.131 404 R CA 1.541 57.607 56.100 -0.057 0.000 0.960 404 R CB -0.775 29.440 30.300 -0.141 0.000 0.856 404 R HN 0.463 nan 8.270 nan 0.000 0.436 405 A N -0.491 122.328 122.820 -0.002 0.000 2.095 405 A HA 0.224 4.544 4.320 -0.000 0.000 0.212 405 A C 2.121 179.712 177.584 0.012 0.000 1.162 405 A CA 0.896 52.941 52.037 0.014 0.000 0.753 405 A CB -0.159 18.866 19.000 0.040 0.000 0.840 405 A HN 0.310 nan 8.150 nan 0.000 0.468 406 A N -0.302 122.523 122.820 0.010 0.000 1.930 406 A HA 0.052 4.372 4.320 -0.000 0.000 0.217 406 A C 2.035 179.621 177.584 0.003 0.000 1.175 406 A CA 1.658 53.699 52.037 0.007 0.000 0.627 406 A CB -0.638 18.367 19.000 0.007 0.000 0.815 406 A HN 0.337 nan 8.150 nan 0.000 0.443 407 V N 0.047 119.960 119.914 -0.002 0.000 2.667 407 V HA -0.180 3.940 4.120 -0.000 0.000 0.252 407 V C 2.221 178.313 176.094 -0.003 0.000 1.065 407 V CA 1.958 64.255 62.300 -0.004 0.000 1.083 407 V CB -0.642 31.175 31.823 -0.010 0.000 0.692 407 V HN 0.613 nan 8.190 nan 0.000 0.468 408 E N -0.234 119.964 120.200 -0.003 0.000 2.170 408 E HA -0.076 4.274 4.350 -0.000 0.000 0.191 408 E C 1.567 178.168 176.600 0.002 0.000 0.981 408 E CA 0.957 57.357 56.400 -0.001 0.000 0.830 408 E CB 0.173 29.872 29.700 -0.001 0.000 0.775 408 E HN 0.658 nan 8.360 nan 0.000 0.470 409 E N -0.977 119.226 120.200 0.004 0.000 2.665 409 E HA 0.211 4.561 4.350 -0.000 0.000 0.225 409 E C 0.349 176.953 176.600 0.006 0.000 0.922 409 E CA 0.166 56.569 56.400 0.005 0.000 1.242 409 E CB 1.851 31.554 29.700 0.006 0.000 1.197 409 E HN 0.197 nan 8.360 nan 0.000 0.581 410 G N 1.127 109.930 108.800 0.006 0.000 2.472 410 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.205 410 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.205 410 G C -0.705 174.200 174.900 0.008 0.000 1.270 410 G CA -0.534 44.570 45.100 0.006 0.000 0.974 410 G HN 0.485 nan 8.290 nan 0.000 0.542 411 V N -2.325 117.593 119.914 0.008 0.000 2.841 411 V HA 0.939 5.059 4.120 -0.000 0.000 0.310 411 V C 0.634 176.734 176.094 0.010 0.000 1.090 411 V CA 0.009 62.314 62.300 0.009 0.000 0.930 411 V CB 0.940 32.768 31.823 0.007 0.000 1.014 411 V HN 2.293 nan 8.190 nan 0.000 0.425 412 V N 0.154 120.074 119.914 0.010 0.000 3.182 412 V HA 1.039 5.159 4.120 -0.000 0.000 0.311 412 V C 0.590 176.689 176.094 0.009 0.000 1.221 412 V CA -0.656 61.651 62.300 0.012 0.000 1.060 412 V CB 1.400 33.231 31.823 0.013 0.000 1.164 412 V HN 1.754 nan 8.190 nan 0.000 0.466 413 A N 0.222 123.048 122.820 0.010 0.000 2.409 413 A HA 0.734 5.054 4.320 -0.000 0.000 0.267 413 A C 0.592 178.174 177.584 -0.002 0.000 1.127 413 A CA 0.382 52.421 52.037 0.003 0.000 0.795 413 A CB -0.311 18.694 19.000 0.008 0.000 1.061 413 A HN 1.724 nan 8.150 nan 0.000 0.502 414 G N 0.253 109.046 108.800 -0.012 0.000 2.543 414 G HA2 0.533 4.493 3.960 -0.000 0.000 0.290 414 G HA3 0.533 4.493 3.960 -0.000 0.000 0.290 414 G C 1.032 175.919 174.900 -0.021 0.000 1.310 414 G CA -0.071 45.021 45.100 -0.014 0.000 1.025 414 G HN 2.191 nan 8.290 nan 0.000 0.502 415 G N -2.139 106.650 108.800 -0.018 0.000 2.143 415 G HA2 0.200 4.160 3.960 -0.000 0.000 0.248 415 G HA3 0.200 4.160 3.960 -0.000 0.000 0.248 415 G C 1.506 176.408 174.900 0.003 0.000 0.991 415 G CA 1.054 46.146 45.100 -0.013 0.000 0.689 415 G HN 2.535 nan 8.290 nan 0.000 0.522 416 G N -1.994 106.809 108.800 0.004 0.000 2.175 416 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.265 416 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.265 416 G C 1.965 176.874 174.900 0.015 0.000 0.979 416 G CA 2.140 47.246 45.100 0.011 0.000 0.663 416 G HN 2.263 nan 8.290 nan 0.000 0.533 417 V N -2.284 117.638 119.914 0.014 0.000 2.667 417 V HA 0.374 4.494 4.120 -0.000 0.000 0.252 417 V C 2.787 178.897 176.094 0.026 0.000 1.065 417 V CA 1.832 64.144 62.300 0.021 0.000 1.083 417 V CB -0.731 31.098 31.823 0.011 0.000 0.692 417 V HN 1.385 nan 8.190 nan 0.000 0.468 418 A N 1.043 123.875 122.820 0.020 0.000 1.908 418 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 418 A C 2.229 179.827 177.584 0.024 0.000 1.181 418 A CA 2.399 54.450 52.037 0.023 0.000 0.627 418 A CB -0.707 18.303 19.000 0.017 0.000 0.818 418 A HN 0.609 nan 8.150 nan 0.000 0.445 419 L N -1.158 120.078 121.223 0.021 0.000 2.093 419 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 419 L C 2.446 179.330 176.870 0.024 0.000 1.085 419 L CA 1.200 56.052 54.840 0.020 0.000 0.755 419 L CB -0.303 41.767 42.059 0.018 0.000 0.904 419 L HN 0.454 nan 8.230 nan 0.000 0.435 420 I N -0.550 120.037 120.570 0.028 0.000 2.830 420 I HA -0.219 3.951 4.170 -0.000 0.000 0.263 420 I C 2.621 178.763 176.117 0.042 0.000 1.230 420 I CA 0.532 61.852 61.300 0.034 0.000 1.480 420 I CB 0.039 38.062 38.000 0.037 0.000 1.095 420 I HN 0.174 nan 8.210 nan 0.000 0.455 421 R N 0.236 120.762 120.500 0.044 0.000 2.062 421 R HA -0.033 4.307 4.340 -0.000 0.000 0.226 421 R C 1.971 178.294 176.300 0.038 0.000 1.125 421 R CA 1.805 57.936 56.100 0.051 0.000 0.966 421 R CB -0.890 29.443 30.300 0.056 0.000 0.861 421 R HN 0.192 nan 8.270 nan 0.000 0.433 422 V N 1.193 121.125 119.914 0.030 0.000 2.343 422 V HA -0.164 3.956 4.120 -0.000 0.000 0.247 422 V C 2.356 178.462 176.094 0.020 0.000 1.051 422 V CA 1.900 64.213 62.300 0.022 0.000 1.036 422 V CB -0.992 30.841 31.823 0.017 0.000 0.654 422 V HN 0.496 nan 8.190 nan 0.000 0.451 423 A N 0.869 123.701 122.820 0.021 0.000 1.940 423 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 423 A C 2.437 180.033 177.584 0.019 0.000 1.176 423 A CA 2.283 54.331 52.037 0.018 0.000 0.631 423 A CB -0.697 18.314 19.000 0.019 0.000 0.814 423 A HN 0.707 nan 8.150 nan 0.000 0.446 424 S N -1.039 114.675 115.700 0.025 0.000 2.561 424 S HA 0.059 4.529 4.470 -0.000 0.000 0.225 424 S C 1.368 175.981 174.600 0.021 0.000 0.977 424 S CA 0.866 59.081 58.200 0.025 0.000 0.926 424 S CB -0.084 63.136 63.200 0.034 0.000 0.769 424 S HN 0.581 nan 8.310 nan 0.000 0.533 425 K N 0.502 120.914 120.400 0.020 0.000 2.374 425 K HA 0.350 4.670 4.320 -0.000 0.000 0.196 425 K C 0.320 176.927 176.600 0.012 0.000 1.023 425 K CA 0.114 56.411 56.287 0.016 0.000 1.103 425 K CB 0.148 32.659 32.500 0.017 0.000 0.848 425 K HN 0.403 nan 8.250 nan 0.000 0.528 426 L N 0.136 121.366 121.223 0.012 0.000 3.110 426 L HA 0.264 4.604 4.340 -0.000 0.000 0.266 426 L C 1.480 178.355 176.870 0.008 0.000 1.257 426 L CA -0.189 54.657 54.840 0.009 0.000 1.038 426 L CB 0.527 42.590 42.059 0.008 0.000 1.395 426 L HN 0.006 nan 8.230 nan 0.000 0.566 427 A N -0.296 122.529 122.820 0.008 0.000 1.969 427 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 427 A C 1.576 179.163 177.584 0.006 0.000 1.169 427 A CA 1.406 53.448 52.037 0.008 0.000 0.635 427 A CB -0.111 18.894 19.000 0.008 0.000 0.810 427 A HN 0.335 nan 8.150 nan 0.000 0.445 428 D N -0.764 119.639 120.400 0.005 0.000 2.328 428 D HA 0.111 4.751 4.640 -0.000 0.000 0.226 428 D C -0.051 176.251 176.300 0.004 0.000 1.066 428 D CA -0.056 53.947 54.000 0.004 0.000 0.861 428 D CB 0.015 40.816 40.800 0.003 0.000 0.912 428 D HN 0.294 nan 8.370 nan 0.000 0.521 429 L N 2.372 123.597 121.223 0.004 0.000 2.485 429 L HA 0.098 4.438 4.340 -0.000 0.000 0.279 429 L C 0.145 177.017 176.870 0.003 0.000 1.124 429 L CA 0.290 55.132 54.840 0.004 0.000 0.888 429 L CB -0.078 41.984 42.059 0.004 0.000 1.217 429 L HN -0.262 nan 8.230 nan 0.000 0.464 430 R N 3.048 123.549 120.500 0.003 0.000 2.828 430 R HA 0.689 5.029 4.340 -0.000 0.000 0.264 430 R C 0.179 176.480 176.300 0.002 0.000 1.022 430 R CA -0.235 55.867 56.100 0.003 0.000 1.021 430 R CB 1.367 31.669 30.300 0.002 0.000 1.163 430 R HN 0.734 nan 8.270 nan 0.000 0.494 431 G N -0.265 108.536 108.800 0.002 0.000 3.134 431 G HA2 0.127 4.087 3.960 -0.000 0.000 0.158 431 G HA3 0.127 4.087 3.960 -0.000 0.000 0.158 431 G C 0.197 175.098 174.900 0.002 0.000 1.334 431 G CA -0.035 45.066 45.100 0.002 0.000 1.001 431 G HN 0.447 nan 8.290 nan 0.000 0.600 432 Q N -0.643 119.158 119.800 0.002 0.000 2.402 432 Q HA 0.174 4.514 4.340 -0.000 0.000 0.231 432 Q C -0.078 175.924 176.000 0.002 0.000 0.888 432 Q CA 0.361 56.166 55.803 0.002 0.000 0.938 432 Q CB 0.498 29.237 28.738 0.002 0.000 1.086 432 Q HN 0.639 nan 8.270 nan 0.000 0.543 433 N N -1.512 117.189 118.700 0.003 0.000 2.697 433 N HA 0.170 4.910 4.740 -0.000 0.000 0.272 433 N C -0.091 175.421 175.510 0.003 0.000 1.381 433 N CA -0.657 52.395 53.050 0.003 0.000 0.797 433 N CB 0.713 39.202 38.487 0.003 0.000 1.523 433 N HN -0.358 nan 8.380 nan 0.000 0.518 434 K N -0.260 120.142 120.400 0.003 0.000 2.103 434 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 434 K C 0.396 176.998 176.600 0.004 0.000 1.048 434 K CA 1.680 57.969 56.287 0.003 0.000 0.930 434 K CB -0.660 31.842 32.500 0.003 0.000 0.716 434 K HN 0.630 nan 8.250 nan 0.000 0.444 435 D N 0.031 120.434 120.400 0.004 0.000 2.178 435 D HA -0.124 4.516 4.640 -0.000 0.000 0.201 435 D C 1.803 178.106 176.300 0.005 0.000 0.980 435 D CA 1.010 55.013 54.000 0.005 0.000 0.842 435 D CB 0.034 40.837 40.800 0.005 0.000 0.948 435 D HN 0.411 nan 8.370 nan 0.000 0.472 436 Q N -0.177 119.626 119.800 0.005 0.000 2.137 436 Q HA -0.020 4.320 4.340 -0.000 0.000 0.198 436 Q C 1.595 177.598 176.000 0.004 0.000 0.960 436 Q CA 0.577 56.383 55.803 0.005 0.000 0.847 436 Q CB 0.029 28.770 28.738 0.004 0.000 0.915 436 Q HN 0.205 nan 8.270 nan 0.000 0.448 437 N N 0.320 119.022 118.700 0.004 0.000 2.166 437 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 437 N C 1.805 177.318 175.510 0.005 0.000 1.019 437 N CA 1.081 54.133 53.050 0.004 0.000 0.856 437 N CB -0.266 38.223 38.487 0.004 0.000 0.993 437 N HN 0.040 nan 8.380 nan 0.000 0.426 438 V N 0.232 120.149 119.914 0.005 0.000 2.515 438 V HA -0.082 4.038 4.120 -0.000 0.000 0.250 438 V C 2.361 178.459 176.094 0.006 0.000 1.058 438 V CA 1.804 64.108 62.300 0.005 0.000 1.064 438 V CB -1.297 30.529 31.823 0.005 0.000 0.675 438 V HN 0.332 nan 8.190 nan 0.000 0.461 439 G N 0.316 109.120 108.800 0.006 0.000 2.422 439 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 439 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 439 G C 1.553 176.456 174.900 0.006 0.000 1.146 439 G CA 0.964 46.068 45.100 0.007 0.000 0.769 439 G HN 0.524 nan 8.290 nan 0.000 0.547 440 I N 0.171 120.744 120.570 0.006 0.000 2.286 440 I HA -0.049 4.121 4.170 -0.000 0.000 0.245 440 I C 2.581 178.702 176.117 0.006 0.000 1.104 440 I CA 0.774 62.077 61.300 0.005 0.000 1.397 440 I CB -0.012 37.991 38.000 0.005 0.000 1.072 440 I HN -0.078 nan 8.210 nan 0.000 0.417 441 K N 0.626 121.030 120.400 0.006 0.000 2.097 441 K HA -0.038 4.282 4.320 -0.000 0.000 0.205 441 K C 2.188 178.793 176.600 0.008 0.000 1.050 441 K CA 1.006 57.297 56.287 0.007 0.000 0.938 441 K CB -0.665 31.839 32.500 0.006 0.000 0.718 441 K HN 0.189 nan 8.250 nan 0.000 0.442 442 V N 1.649 121.568 119.914 0.008 0.000 2.407 442 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 442 V C 2.428 178.527 176.094 0.010 0.000 1.055 442 V CA 1.951 64.256 62.300 0.009 0.000 1.049 442 V CB -0.712 31.116 31.823 0.009 0.000 0.662 442 V HN 0.284 nan 8.190 nan 0.000 0.455 443 A N -0.323 122.502 122.820 0.009 0.000 1.897 443 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 443 A C 2.184 179.774 177.584 0.010 0.000 1.181 443 A CA 1.457 53.500 52.037 0.010 0.000 0.620 443 A CB -0.440 18.565 19.000 0.008 0.000 0.821 443 A HN 0.484 nan 8.150 nan 0.000 0.443 444 L N -0.881 120.348 121.223 0.010 0.000 1.989 444 L HA -0.238 4.102 4.340 -0.000 0.000 0.211 444 L C 2.866 179.743 176.870 0.012 0.000 1.071 444 L CA 1.819 56.666 54.840 0.011 0.000 0.749 444 L CB -0.598 41.467 42.059 0.010 0.000 0.890 444 L HN 0.338 nan 8.230 nan 0.000 0.431 445 R N -0.068 120.439 120.500 0.011 0.000 2.105 445 R HA -0.159 4.181 4.340 -0.000 0.000 0.239 445 R C 2.359 178.666 176.300 0.012 0.000 1.135 445 R CA 1.364 57.471 56.100 0.011 0.000 0.967 445 R CB -0.521 29.785 30.300 0.010 0.000 0.861 445 R HN 0.397 nan 8.270 nan 0.000 0.442 446 A N 0.698 123.526 122.820 0.012 0.000 2.067 446 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 446 A C 1.989 179.581 177.584 0.014 0.000 1.158 446 A CA 1.070 53.115 52.037 0.013 0.000 0.661 446 A CB -0.332 18.676 19.000 0.014 0.000 0.801 446 A HN 0.210 nan 8.150 nan 0.000 0.452 447 M N -0.515 119.094 119.600 0.015 0.000 2.557 447 M HA -0.083 4.397 4.480 -0.000 0.000 0.259 447 M C 1.516 177.826 176.300 0.017 0.000 1.086 447 M CA 0.950 56.260 55.300 0.016 0.000 1.096 447 M CB -0.174 32.436 32.600 0.016 0.000 1.424 447 M HN 0.486 nan 8.290 nan 0.000 0.488 448 E N 0.545 120.755 120.200 0.016 0.000 2.140 448 E HA 0.005 4.355 4.350 -0.000 0.000 0.191 448 E C 2.219 178.827 176.600 0.014 0.000 0.973 448 E CA 0.707 57.116 56.400 0.016 0.000 0.829 448 E CB -0.114 29.595 29.700 0.015 0.000 0.781 448 E HN 0.471 nan 8.360 nan 0.000 0.466 449 A N 2.707 125.535 122.820 0.013 0.000 1.893 449 A HA -0.246 4.074 4.320 -0.000 0.000 0.222 449 A C -0.263 177.328 177.584 0.012 0.000 1.309 449 A CA 2.293 54.337 52.037 0.011 0.000 0.681 449 A CB -1.926 17.081 19.000 0.012 0.000 0.842 449 A HN 0.161 nan 8.150 nan 0.000 0.468 450 P HA -0.184 nan 4.420 nan 0.000 0.214 450 P C 1.855 179.163 177.300 0.014 0.000 1.163 450 P CA 1.343 64.451 63.100 0.013 0.000 0.889 450 P CB -0.190 31.519 31.700 0.014 0.000 0.790 451 L N -0.791 120.441 121.223 0.016 0.000 1.971 451 L HA -0.258 4.082 4.340 -0.000 0.000 0.215 451 L C 2.612 179.491 176.870 0.014 0.000 1.072 451 L CA 1.960 56.811 54.840 0.018 0.000 0.758 451 L CB -0.429 41.642 42.059 0.019 0.000 0.889 451 L HN -0.175 nan 8.230 nan 0.000 0.433 452 R N -0.879 119.626 120.500 0.009 0.000 2.094 452 R HA -0.272 4.068 4.340 -0.000 0.000 0.239 452 R C 2.330 178.634 176.300 0.006 0.000 1.137 452 R CA 1.996 58.099 56.100 0.004 0.000 0.943 452 R CB -0.563 29.739 30.300 0.004 0.000 0.850 452 R HN 0.416 nan 8.270 nan 0.000 0.433 453 Q N 1.113 120.918 119.800 0.009 0.000 2.061 453 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 453 Q C 1.893 177.900 176.000 0.012 0.000 0.984 453 Q CA 1.706 57.514 55.803 0.009 0.000 0.846 453 Q CB -0.223 28.520 28.738 0.008 0.000 0.902 453 Q HN 0.406 nan 8.270 nan 0.000 0.421 454 I N -0.702 119.878 120.570 0.016 0.000 2.286 454 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 454 I C 1.982 178.119 176.117 0.033 0.000 1.115 454 I CA 0.789 62.101 61.300 0.020 0.000 1.392 454 I CB -0.329 37.684 38.000 0.021 0.000 1.065 454 I HN 0.039 nan 8.210 nan 0.000 0.418 455 V N 0.699 120.634 119.914 0.035 0.000 2.515 455 V HA -0.233 3.887 4.120 -0.000 0.000 0.250 455 V C 2.393 178.500 176.094 0.022 0.000 1.058 455 V CA 1.291 63.614 62.300 0.037 0.000 1.064 455 V CB -0.520 31.298 31.823 -0.008 0.000 0.675 455 V HN 0.337 nan 8.190 nan 0.000 0.461 456 L N 1.032 122.262 121.223 0.013 0.000 2.046 456 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 456 L C 2.165 179.042 176.870 0.013 0.000 1.077 456 L CA 1.932 56.778 54.840 0.009 0.000 0.747 456 L CB -0.883 41.180 42.059 0.007 0.000 0.896 456 L HN 0.304 nan 8.230 nan 0.000 0.432 457 N N -1.357 117.352 118.700 0.014 0.000 2.381 457 N HA -0.146 4.594 4.740 -0.000 0.000 0.182 457 N C 1.742 177.262 175.510 0.016 0.000 1.025 457 N CA 1.455 54.512 53.050 0.012 0.000 0.888 457 N CB -0.639 37.853 38.487 0.009 0.000 0.965 457 N HN 0.421 nan 8.380 nan 0.000 0.438 458 C N -1.045 118.270 119.300 0.026 0.000 2.495 458 C HA 0.265 4.725 4.460 -0.000 0.000 0.275 458 C C 1.810 176.818 174.990 0.031 0.000 1.392 458 C CA 0.584 59.623 59.018 0.034 0.000 1.766 458 C CB -0.894 26.887 27.740 0.068 0.000 1.933 458 C HN 0.631 nan 8.230 nan 0.000 0.519 459 G N 0.498 109.313 108.800 0.024 0.000 2.175 459 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.244 459 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.244 459 G C -0.253 174.658 174.900 0.019 0.000 0.982 459 G CA 0.027 45.139 45.100 0.019 0.000 0.641 459 G HN 0.504 nan 8.290 nan 0.000 0.527 460 E N 0.825 121.038 120.200 0.022 0.000 2.283 460 E HA 0.411 4.761 4.350 -0.000 0.000 0.271 460 E C 0.121 176.713 176.600 -0.012 0.000 1.031 460 E CA -0.613 55.792 56.400 0.008 0.000 0.868 460 E CB 0.917 30.621 29.700 0.006 0.000 1.094 460 E HN 0.526 nan 8.360 nan 0.000 0.401 461 E N 2.668 122.856 120.200 -0.020 0.000 2.265 461 E HA 0.033 4.383 4.350 -0.000 0.000 0.272 461 E C -1.577 175.000 176.600 -0.037 0.000 1.067 461 E CA -1.442 54.945 56.400 -0.021 0.000 0.900 461 E CB 0.589 30.280 29.700 -0.015 0.000 1.017 461 E HN 0.175 nan 8.360 nan 0.000 0.431 462 P HA -0.180 nan 4.420 nan 0.000 0.218 462 P C 1.108 178.392 177.300 -0.026 0.000 1.149 462 P CA 1.015 64.096 63.100 -0.031 0.000 0.817 462 P CB 0.276 31.968 31.700 -0.014 0.000 0.785 463 S N -0.956 114.734 115.700 -0.016 0.000 2.383 463 S HA -0.103 4.367 4.470 -0.000 0.000 0.227 463 S C 1.984 176.578 174.600 -0.010 0.000 1.026 463 S CA 1.260 59.455 58.200 -0.009 0.000 0.981 463 S CB -1.759 61.438 63.200 -0.005 0.000 0.818 463 S HN -0.034 nan 8.310 nan 0.000 0.472 464 V N 2.141 122.044 119.914 -0.017 0.000 2.237 464 V HA -0.146 3.974 4.120 -0.000 0.000 0.245 464 V C 2.628 178.718 176.094 -0.007 0.000 1.046 464 V CA 1.662 63.953 62.300 -0.014 0.000 1.007 464 V CB -1.083 30.729 31.823 -0.019 0.000 0.638 464 V HN 0.426 nan 8.190 nan 0.000 0.445 465 V N 0.617 120.505 119.914 -0.042 0.000 2.324 465 V HA -0.304 3.816 4.120 -0.000 0.000 0.250 465 V C 2.746 178.851 176.094 0.018 0.000 1.060 465 V CA 2.197 64.461 62.300 -0.060 0.000 1.042 465 V CB -1.339 30.316 31.823 -0.281 0.000 0.650 465 V HN 0.565 nan 8.190 nan 0.000 0.450 466 A N 0.301 123.123 122.820 0.003 0.000 1.902 466 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 466 A C 2.088 179.700 177.584 0.046 0.000 1.181 466 A CA 2.292 54.344 52.037 0.026 0.000 0.623 466 A CB -0.823 18.185 19.000 0.013 0.000 0.818 466 A HN 0.626 nan 8.150 nan 0.000 0.443 467 N N -0.825 117.895 118.700 0.033 0.000 2.188 467 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 467 N C 1.643 177.181 175.510 0.046 0.000 1.018 467 N CA 2.034 55.102 53.050 0.031 0.000 0.858 467 N CB -0.235 38.259 38.487 0.011 0.000 0.989 467 N HN 0.396 nan 8.380 nan 0.000 0.426 468 T N -0.584 114.005 114.554 0.059 0.000 2.708 468 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 468 T C 1.942 176.764 174.700 0.203 0.000 1.037 468 T CA 1.373 63.508 62.100 0.058 0.000 1.146 468 T CB -0.488 68.375 68.868 -0.008 0.000 0.865 468 T HN 0.011 nan 8.240 nan 0.000 0.435 469 V N 1.453 121.532 119.914 0.276 0.000 2.307 469 V HA -0.155 3.965 4.120 -0.000 0.000 0.245 469 V C 2.512 178.757 176.094 0.252 0.000 1.045 469 V CA 1.511 64.012 62.300 0.335 0.000 1.024 469 V CB -0.534 31.404 31.823 0.191 0.000 0.651 469 V HN 0.434 nan 8.190 nan 0.000 0.449 470 K N 0.253 120.739 120.400 0.144 0.000 2.113 470 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 470 K C 2.194 178.842 176.600 0.080 0.000 1.047 470 K CA 1.565 57.909 56.287 0.095 0.000 0.928 470 K CB -0.689 31.846 32.500 0.058 0.000 0.716 470 K HN 0.583 nan 8.250 nan 0.000 0.446 471 G N 0.805 109.647 108.800 0.071 0.000 2.450 471 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.220 471 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.220 471 G C 0.826 175.708 174.900 -0.029 0.000 1.130 471 G CA 0.896 46.005 45.100 0.014 0.000 0.760 471 G HN 0.418 nan 8.290 nan 0.000 0.557 472 G N -1.168 107.629 108.800 -0.005 0.000 2.508 472 G HA2 0.475 4.435 3.960 -0.000 0.000 0.278 472 G HA3 0.475 4.435 3.960 -0.000 0.000 0.278 472 G C -0.834 174.059 174.900 -0.011 0.000 1.389 472 G CA -0.297 44.708 45.100 -0.160 0.000 1.050 472 G HN 0.161 nan 8.290 nan 0.000 0.522 473 D N -2.563 117.835 120.400 -0.004 0.000 2.610 473 D HA 0.517 5.157 4.640 -0.000 0.000 0.271 473 D C 0.802 177.163 176.300 0.101 0.000 1.174 473 D CA 0.715 54.745 54.000 0.049 0.000 0.949 473 D CB 1.949 42.753 40.800 0.007 0.000 1.430 473 D HN 0.896 nan 8.370 nan 0.000 0.467 474 G N 1.088 109.935 108.800 0.078 0.000 2.583 474 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.292 474 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.292 474 G C 0.247 175.207 174.900 0.100 0.000 1.203 474 G CA 0.477 45.624 45.100 0.079 0.000 0.987 474 G HN 0.574 nan 8.290 nan 0.000 0.554 475 N N 0.030 118.792 118.700 0.104 0.000 2.320 475 N HA 0.338 5.078 4.740 -0.000 0.000 0.237 475 N C -0.127 175.456 175.510 0.120 0.000 1.129 475 N CA -0.119 52.985 53.050 0.090 0.000 0.854 475 N CB 0.255 38.776 38.487 0.055 0.000 1.083 475 N HN 0.520 nan 8.380 nan 0.000 0.504 476 Y N 1.045 121.375 120.300 0.051 0.000 2.537 476 Y HA 0.408 4.958 4.550 -0.000 0.000 0.339 476 Y C 0.701 176.659 175.900 0.097 0.000 1.066 476 Y CA -0.158 57.988 58.100 0.076 0.000 1.357 476 Y CB -0.078 38.428 38.460 0.077 0.000 1.175 476 Y HN 0.042 nan 8.280 nan 0.000 0.525 477 G N 4.446 112.996 108.800 -0.417 0.000 3.086 477 G HA2 0.305 4.265 3.960 -0.000 0.000 0.282 477 G HA3 0.305 4.265 3.960 -0.000 0.000 0.282 477 G C -2.372 172.333 174.900 -0.326 0.000 1.343 477 G CA -0.896 44.033 45.100 -0.284 0.000 0.895 477 G HN 0.550 nan 8.290 nan 0.000 0.557 478 Y N 1.042 121.130 120.300 -0.354 0.000 2.364 478 Y HA 0.549 5.099 4.550 -0.000 0.000 0.340 478 Y C -0.178 175.536 175.900 -0.309 0.000 0.975 478 Y CA -1.282 56.526 58.100 -0.487 0.000 1.089 478 Y CB 1.730 39.807 38.460 -0.637 0.000 1.192 478 Y HN 0.436 nan 8.280 nan 0.000 0.454 479 N N 4.444 122.710 118.700 -0.724 0.000 2.411 479 N HA 0.160 4.900 4.740 -0.000 0.000 0.259 479 N C 0.455 175.462 175.510 -0.839 0.000 1.103 479 N CA 0.720 53.418 53.050 -0.587 0.000 0.954 479 N CB 1.697 39.941 38.487 -0.405 0.000 1.085 479 N HN 0.979 nan 8.380 nan 0.000 0.485 480 A N 4.135 126.674 122.820 -0.467 0.000 1.930 480 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 480 A C 1.974 179.416 177.584 -0.238 0.000 1.175 480 A CA 1.763 53.617 52.037 -0.304 0.000 0.627 480 A CB -0.510 18.426 19.000 -0.107 0.000 0.815 480 A HN 0.730 nan 8.150 nan 0.000 0.443 481 A N -0.684 122.014 122.820 -0.203 0.000 1.970 481 A HA 0.038 4.358 4.320 -0.000 0.000 0.216 481 A C 2.255 179.757 177.584 -0.136 0.000 1.170 481 A CA 2.096 54.054 52.037 -0.132 0.000 0.645 481 A CB -0.767 18.172 19.000 -0.101 0.000 0.816 481 A HN 0.698 nan 8.150 nan 0.000 0.447 482 T N -3.921 110.514 114.554 -0.198 0.000 3.014 482 T HA 0.206 4.556 4.350 -0.000 0.000 0.250 482 T C 0.322 174.913 174.700 -0.183 0.000 1.060 482 T CA 0.609 62.613 62.100 -0.161 0.000 1.040 482 T CB -0.211 68.570 68.868 -0.145 0.000 0.971 482 T HN 0.529 nan 8.240 nan 0.000 0.497 483 E N 1.223 121.213 120.200 -0.349 0.000 2.416 483 E HA -0.125 4.225 4.350 -0.000 0.000 0.249 483 E C -0.832 175.642 176.600 -0.211 0.000 1.124 483 E CA 0.368 56.575 56.400 -0.321 0.000 0.732 483 E CB -0.922 28.800 29.700 0.036 0.000 1.286 483 E HN 0.610 nan 8.360 nan 0.000 0.394 484 E N -0.450 119.477 120.200 -0.454 0.000 2.299 484 E HA 0.460 4.810 4.350 -0.000 0.000 0.265 484 E C -0.671 175.785 176.600 -0.239 0.000 0.911 484 E CA -0.702 55.605 56.400 -0.154 0.000 0.789 484 E CB 1.014 30.664 29.700 -0.083 0.000 1.246 484 E HN 0.065 nan 8.360 nan 0.000 0.427 485 Y N -0.420 119.918 120.300 0.064 0.000 2.387 485 Y HA 0.635 5.185 4.550 -0.000 0.000 0.336 485 Y C 0.965 176.862 175.900 -0.005 0.000 1.067 485 Y CA 0.318 58.435 58.100 0.029 0.000 1.114 485 Y CB 2.156 40.710 38.460 0.157 0.000 1.208 485 Y HN 0.690 nan 8.280 nan 0.000 0.458 486 G N 1.428 110.213 108.800 -0.024 0.000 2.368 486 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.269 486 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.269 486 G C -1.714 173.193 174.900 0.013 0.000 1.291 486 G CA -1.215 43.953 45.100 0.113 0.000 0.903 486 G HN 0.451 nan 8.290 nan 0.000 0.483 487 N N 1.376 120.133 118.700 0.096 0.000 2.420 487 N HA 0.149 4.889 4.740 -0.000 0.000 0.262 487 N C 1.818 177.328 175.510 -0.001 0.000 1.144 487 N CA -0.377 52.712 53.050 0.065 0.000 0.952 487 N CB 0.801 39.337 38.487 0.081 0.000 1.081 487 N HN 0.394 nan 8.380 nan 0.000 0.480 488 M N 3.298 122.882 119.600 -0.027 0.000 2.213 488 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 488 M C 1.523 177.807 176.300 -0.026 0.000 1.062 488 M CA 0.897 56.169 55.300 -0.047 0.000 1.105 488 M CB -0.405 32.166 32.600 -0.049 0.000 1.385 488 M HN 0.520 nan 8.290 nan 0.000 0.417 489 I N 0.727 121.294 120.570 -0.006 0.000 2.202 489 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 489 I C 1.874 177.990 176.117 -0.003 0.000 1.091 489 I CA 1.473 62.773 61.300 -0.001 0.000 1.368 489 I CB -1.617 36.389 38.000 0.010 0.000 1.058 489 I HN 0.218 nan 8.210 nan 0.000 0.410 490 D N 0.577 120.979 120.400 0.004 0.000 2.144 490 D HA -0.164 4.476 4.640 -0.000 0.000 0.199 490 D C 2.329 178.624 176.300 -0.008 0.000 0.984 490 D CA 1.181 55.183 54.000 0.004 0.000 0.834 490 D CB -0.195 40.614 40.800 0.015 0.000 0.955 490 D HN 0.312 nan 8.370 nan 0.000 0.465 491 M N -1.094 118.493 119.600 -0.021 0.000 2.492 491 M HA 0.068 4.548 4.480 -0.000 0.000 0.262 491 M C 1.537 177.813 176.300 -0.040 0.000 1.090 491 M CA 1.188 56.466 55.300 -0.037 0.000 1.110 491 M CB 0.421 32.983 32.600 -0.064 0.000 1.407 491 M HN 0.250 nan 8.290 nan 0.000 0.470 492 G N 0.740 109.521 108.800 -0.032 0.000 2.376 492 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.208 492 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.208 492 G C 0.279 175.160 174.900 -0.032 0.000 1.032 492 G CA -0.549 44.533 45.100 -0.029 0.000 0.641 492 G HN 0.363 nan 8.290 nan 0.000 0.503 493 I N 3.233 123.776 120.570 -0.045 0.000 2.460 493 I HA 0.421 4.591 4.170 -0.000 0.000 0.297 493 I C 0.471 176.568 176.117 -0.032 0.000 1.139 493 I CA 0.117 61.390 61.300 -0.045 0.000 1.340 493 I CB -0.208 37.752 38.000 -0.067 0.000 1.444 493 I HN 0.376 nan 8.210 nan 0.000 0.557 494 L N 4.097 125.308 121.223 -0.020 0.000 2.341 494 L HA 0.805 5.145 4.340 -0.000 0.000 0.254 494 L C -1.148 175.719 176.870 -0.005 0.000 1.040 494 L CA -0.847 53.987 54.840 -0.011 0.000 0.837 494 L CB 1.592 43.647 42.059 -0.006 0.000 1.425 494 L HN 0.075 nan 8.230 nan 0.000 0.414 495 D N -0.715 119.686 120.400 0.001 0.000 2.601 495 D HA 0.521 5.161 4.640 -0.000 0.000 0.230 495 D C -2.816 173.490 176.300 0.010 0.000 1.106 495 D CA -1.335 52.669 54.000 0.006 0.000 0.873 495 D CB 2.310 43.115 40.800 0.008 0.000 1.515 495 D HN 0.347 nan 8.370 nan 0.000 0.468 496 P HA 0.121 nan 4.420 nan 0.000 0.271 496 P C 0.709 178.019 177.300 0.017 0.000 1.216 496 P CA -0.059 63.052 63.100 0.017 0.000 0.771 496 P CB 0.497 32.212 31.700 0.024 0.000 0.864 497 T N 1.323 115.886 114.554 0.014 0.000 3.025 497 T HA -0.154 4.196 4.350 -0.000 0.000 0.270 497 T C 1.497 176.204 174.700 0.013 0.000 1.126 497 T CA 1.178 63.285 62.100 0.012 0.000 1.105 497 T CB -0.229 68.644 68.868 0.009 0.000 0.884 497 T HN 0.469 nan 8.240 nan 0.000 0.522 498 K N 0.981 121.393 120.400 0.019 0.000 2.067 498 K HA -0.011 4.309 4.320 -0.000 0.000 0.203 498 K C 2.449 179.069 176.600 0.033 0.000 1.048 498 K CA 0.928 57.230 56.287 0.024 0.000 0.954 498 K CB -0.128 32.391 32.500 0.031 0.000 0.737 498 K HN 0.305 nan 8.250 nan 0.000 0.444 499 V N -0.784 119.152 119.914 0.037 0.000 2.427 499 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 499 V C 1.683 177.799 176.094 0.038 0.000 1.051 499 V CA 2.206 64.531 62.300 0.043 0.000 1.048 499 V CB -0.858 30.987 31.823 0.036 0.000 0.666 499 V HN 0.221 nan 8.190 nan 0.000 0.456 500 T N 0.139 114.708 114.554 0.027 0.000 2.857 500 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 500 T C 1.988 176.698 174.700 0.018 0.000 1.048 500 T CA 1.733 63.846 62.100 0.022 0.000 1.139 500 T CB -0.316 68.562 68.868 0.016 0.000 0.874 500 T HN 0.573 nan 8.240 nan 0.000 0.455 501 R N 0.975 121.481 120.500 0.010 0.000 2.066 501 R HA -0.042 4.298 4.340 -0.000 0.000 0.232 501 R C 2.550 178.837 176.300 -0.022 0.000 1.131 501 R CA 1.497 57.592 56.100 -0.009 0.000 0.955 501 R CB -0.302 29.988 30.300 -0.016 0.000 0.851 501 R HN 0.223 nan 8.270 nan 0.000 0.432 502 S N 0.644 116.346 115.700 0.004 0.000 2.348 502 S HA -0.114 4.356 4.470 -0.000 0.000 0.221 502 S C 2.033 176.705 174.600 0.120 0.000 1.033 502 S CA 1.156 59.370 58.200 0.024 0.000 1.010 502 S CB -0.302 62.977 63.200 0.131 0.000 0.891 502 S HN 0.561 nan 8.310 nan 0.000 0.442 503 A N 1.268 124.160 122.820 0.120 0.000 1.927 503 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 503 A C 2.165 179.803 177.584 0.090 0.000 1.185 503 A CA 1.798 53.905 52.037 0.116 0.000 0.639 503 A CB -0.789 18.252 19.000 0.068 0.000 0.820 503 A HN 0.438 nan 8.150 nan 0.000 0.451 504 L N -0.788 120.461 121.223 0.043 0.000 2.109 504 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 504 L C 2.504 179.375 176.870 0.001 0.000 1.086 504 L CA 2.046 56.899 54.840 0.021 0.000 0.760 504 L CB -0.398 41.664 42.059 0.006 0.000 0.910 504 L HN 0.485 nan 8.230 nan 0.000 0.437 505 Q N -1.903 117.868 119.800 -0.048 0.000 2.123 505 Q HA -0.160 4.180 4.340 -0.000 0.000 0.199 505 Q C 2.013 177.947 176.000 -0.109 0.000 0.966 505 Q CA 1.525 57.253 55.803 -0.126 0.000 0.845 505 Q CB -0.132 28.455 28.738 -0.253 0.000 0.907 505 Q HN 0.500 nan 8.270 nan 0.000 0.439 506 Y N 0.132 120.433 120.300 0.003 0.000 2.337 506 Y HA -0.064 4.486 4.550 -0.000 0.000 0.293 506 Y C 2.237 178.138 175.900 0.002 0.000 1.123 506 Y CA 0.609 58.710 58.100 0.002 0.000 1.201 506 Y CB -0.612 37.848 38.460 0.000 0.000 1.011 506 Y HN 0.114 nan 8.280 nan 0.000 0.545 507 A N 0.417 123.325 122.820 0.146 0.000 1.841 507 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 507 A C 2.517 180.137 177.584 0.061 0.000 1.199 507 A CA 2.353 54.440 52.037 0.083 0.000 0.621 507 A CB -1.413 17.621 19.000 0.056 0.000 0.835 507 A HN 0.375 nan 8.150 nan 0.000 0.445 508 A N -0.981 121.865 122.820 0.042 0.000 1.986 508 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 508 A C 2.456 180.058 177.584 0.031 0.000 1.171 508 A CA 2.472 54.524 52.037 0.026 0.000 0.640 508 A CB -0.953 18.052 19.000 0.008 0.000 0.811 508 A HN 0.628 nan 8.150 nan 0.000 0.451 509 S N -1.058 114.670 115.700 0.047 0.000 2.335 509 S HA -0.131 4.339 4.470 -0.000 0.000 0.216 509 S C 1.957 176.591 174.600 0.056 0.000 1.032 509 S CA 1.559 59.792 58.200 0.055 0.000 1.000 509 S CB -0.719 62.539 63.200 0.097 0.000 0.928 509 S HN 0.548 nan 8.310 nan 0.000 0.434 510 V N 2.011 121.968 119.914 0.072 0.000 2.324 510 V HA -0.154 3.966 4.120 -0.000 0.000 0.250 510 V C 2.620 178.736 176.094 0.036 0.000 1.060 510 V CA 2.358 64.689 62.300 0.050 0.000 1.042 510 V CB -1.136 30.714 31.823 0.046 0.000 0.650 510 V HN 0.618 nan 8.190 nan 0.000 0.450 511 A N -0.406 122.436 122.820 0.035 0.000 1.929 511 A HA 0.039 4.359 4.320 -0.000 0.000 0.216 511 A C 2.354 179.952 177.584 0.024 0.000 1.176 511 A CA 1.644 53.697 52.037 0.027 0.000 0.628 511 A CB -1.273 17.743 19.000 0.025 0.000 0.816 511 A HN 0.643 nan 8.150 nan 0.000 0.444 512 G N 0.194 109.008 108.800 0.024 0.000 2.459 512 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 512 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 512 G C 1.569 176.481 174.900 0.021 0.000 1.183 512 G CA 1.149 46.261 45.100 0.020 0.000 0.776 512 G HN 0.424 nan 8.290 nan 0.000 0.552 513 L N -0.384 120.853 121.223 0.023 0.000 1.989 513 L HA -0.096 4.244 4.340 -0.000 0.000 0.211 513 L C 3.124 180.006 176.870 0.021 0.000 1.071 513 L CA 1.388 56.242 54.840 0.022 0.000 0.749 513 L CB -0.352 41.721 42.059 0.024 0.000 0.890 513 L HN 0.222 nan 8.230 nan 0.000 0.431 514 M N -0.769 118.844 119.600 0.021 0.000 2.149 514 M HA -0.243 4.237 4.480 -0.000 0.000 0.261 514 M C 2.217 178.529 176.300 0.021 0.000 1.064 514 M CA 1.822 57.135 55.300 0.021 0.000 1.102 514 M CB -0.221 32.392 32.600 0.021 0.000 1.369 514 M HN 0.223 nan 8.290 nan 0.000 0.408 515 I N -0.449 120.133 120.570 0.020 0.000 2.676 515 I HA -0.188 3.982 4.170 -0.000 0.000 0.259 515 I C 1.934 178.063 176.117 0.019 0.000 1.194 515 I CA 1.203 62.514 61.300 0.019 0.000 1.473 515 I CB -0.115 37.895 38.000 0.017 0.000 1.096 515 I HN 0.374 nan 8.210 nan 0.000 0.443 516 T N -3.296 111.270 114.554 0.020 0.000 3.107 516 T HA 0.107 4.457 4.350 -0.000 0.000 0.249 516 T C 0.822 175.537 174.700 0.024 0.000 1.096 516 T CA -0.145 61.967 62.100 0.021 0.000 1.012 516 T CB -0.575 68.304 68.868 0.019 0.000 0.977 516 T HN 0.006 nan 8.240 nan 0.000 0.527 517 T N 2.753 117.321 114.554 0.024 0.000 2.919 517 T HA 0.215 4.565 4.350 -0.000 0.000 0.302 517 T C 0.680 175.400 174.700 0.032 0.000 1.031 517 T CA -0.305 61.810 62.100 0.026 0.000 1.127 517 T CB 1.120 70.001 68.868 0.023 0.000 0.952 517 T HN 0.153 nan 8.240 nan 0.000 0.540 518 E N -0.175 120.049 120.200 0.039 0.000 2.536 518 E HA 0.174 4.524 4.350 -0.000 0.000 0.220 518 E C 0.105 176.742 176.600 0.062 0.000 0.876 518 E CA 0.011 56.449 56.400 0.062 0.000 1.190 518 E CB 0.894 30.644 29.700 0.082 0.000 1.191 518 E HN 0.598 nan 8.360 nan 0.000 0.557 519 C N 0.478 119.780 119.300 0.004 0.000 2.994 519 C HA 0.781 5.241 4.460 -0.000 0.000 0.304 519 C C -1.510 173.420 174.990 -0.101 0.000 1.273 519 C CA -0.479 58.463 59.018 -0.126 0.000 1.537 519 C CB 0.891 28.567 27.740 -0.107 0.000 2.001 519 C HN 0.167 nan 8.230 nan 0.000 0.471 520 M N 4.771 124.285 119.600 -0.144 0.000 2.221 520 M HA 0.343 4.823 4.480 -0.000 0.000 0.259 520 M C -1.193 175.171 176.300 0.108 0.000 1.001 520 M CA -0.285 55.043 55.300 0.047 0.000 1.009 520 M CB 1.805 34.561 32.600 0.260 0.000 1.939 520 M HN 0.432 nan 8.290 nan 0.000 0.477 521 V N 1.312 121.202 119.914 -0.039 0.000 2.532 521 V HA 0.839 4.959 4.120 -0.000 0.000 0.295 521 V C 0.067 176.033 176.094 -0.213 0.000 1.041 521 V CA -0.321 61.937 62.300 -0.070 0.000 0.926 521 V CB 1.744 33.535 31.823 -0.054 0.000 0.992 521 V HN 0.911 nan 8.190 nan 0.000 0.457 522 T N 1.357 115.747 114.554 -0.274 0.000 2.762 522 T HA 0.298 4.648 4.350 -0.000 0.000 0.301 522 T C -1.528 173.059 174.700 -0.189 0.000 1.299 522 T CA -0.641 61.259 62.100 -0.333 0.000 1.005 522 T CB 1.929 70.409 68.868 -0.645 0.000 1.377 522 T HN 0.718 nan 8.240 nan 0.000 0.504 523 D N 1.720 122.028 120.400 -0.154 0.000 2.341 523 D HA 0.304 4.944 4.640 -0.000 0.000 0.245 523 D C 0.016 176.279 176.300 -0.061 0.000 1.106 523 D CA -0.175 53.775 54.000 -0.083 0.000 0.905 523 D CB 0.968 41.728 40.800 -0.066 0.000 1.202 523 D HN 0.253 nan 8.370 nan 0.000 0.426 524 L N 3.436 124.646 121.223 -0.022 0.000 2.456 524 L HA 0.136 4.476 4.340 -0.000 0.000 0.272 524 L C -1.413 175.455 176.870 -0.004 0.000 1.189 524 L CA -0.627 54.215 54.840 0.003 0.000 0.846 524 L CB -0.473 41.595 42.059 0.014 0.000 1.111 524 L HN 0.297 nan 8.230 nan 0.000 0.475 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.103 63.100 0.005 0.000 0.800 525 P CB 0.000 31.710 31.700 0.017 0.000 0.726