REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1xck_1_N DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.580 177.584 -0.006 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 3 A N 1.783 124.602 122.820 -0.002 0.000 2.546 3 A HA 0.497 4.816 4.320 -0.000 0.000 0.243 3 A C 0.338 177.921 177.584 -0.001 0.000 1.063 3 A CA 0.486 52.525 52.037 0.004 0.000 0.757 3 A CB -0.189 18.816 19.000 0.008 0.000 0.991 3 A HN 0.603 nan 8.150 nan 0.000 0.503 4 K N 1.333 121.736 120.400 0.006 0.000 2.168 4 K HA 0.448 4.768 4.320 -0.000 0.000 0.239 4 K C -0.977 175.639 176.600 0.026 0.000 0.999 4 K CA -0.687 55.599 56.287 -0.001 0.000 0.900 4 K CB 1.202 33.700 32.500 -0.003 0.000 1.111 4 K HN 0.719 nan 8.250 nan 0.000 0.452 5 D N 0.934 121.356 120.400 0.037 0.000 2.425 5 D HA 0.294 4.934 4.640 -0.000 0.000 0.240 5 D C -1.329 175.094 176.300 0.205 0.000 1.080 5 D CA -0.568 53.509 54.000 0.127 0.000 0.836 5 D CB 1.116 42.013 40.800 0.163 0.000 1.125 5 D HN 0.037 nan 8.370 nan 0.000 0.525 6 V N 4.709 124.698 119.914 0.124 0.000 2.417 6 V HA 0.429 4.549 4.120 -0.000 0.000 0.291 6 V C 0.336 176.329 176.094 -0.169 0.000 1.024 6 V CA -0.716 61.573 62.300 -0.019 0.000 0.861 6 V CB 1.611 33.365 31.823 -0.115 0.000 0.985 6 V HN 0.360 nan 8.190 nan 0.000 0.436 7 K N 3.669 123.872 120.400 -0.329 0.000 2.259 7 K HA 0.724 5.044 4.320 -0.000 0.000 0.249 7 K C -1.439 174.817 176.600 -0.573 0.000 0.942 7 K CA -0.489 55.526 56.287 -0.453 0.000 0.816 7 K CB 2.284 34.315 32.500 -0.782 0.000 1.155 7 K HN 0.427 nan 8.250 nan 0.000 0.428 8 F N -0.396 119.495 119.950 -0.098 0.000 2.594 8 F HA 0.353 4.880 4.527 -0.000 0.000 0.335 8 F C 1.465 177.229 175.800 -0.061 0.000 1.058 8 F CA 0.060 58.027 58.000 -0.055 0.000 0.981 8 F CB 1.176 40.156 39.000 -0.034 0.000 1.289 8 F HN 0.821 nan 8.300 nan 0.000 0.490 9 G N 1.370 110.289 108.800 0.197 0.000 2.667 9 G HA2 -0.466 3.494 3.960 -0.000 0.000 0.379 9 G HA3 -0.466 3.494 3.960 -0.000 0.000 0.379 9 G C 1.398 176.317 174.900 0.032 0.000 1.236 9 G CA 1.180 46.334 45.100 0.091 0.000 0.946 9 G HN 0.733 nan 8.290 nan 0.000 0.573 10 N N 0.557 119.269 118.700 0.021 0.000 2.104 10 N HA -0.162 4.578 4.740 -0.000 0.000 0.190 10 N C 1.916 177.410 175.510 -0.026 0.000 1.024 10 N CA 2.023 55.072 53.050 -0.002 0.000 0.853 10 N CB -0.359 38.127 38.487 -0.001 0.000 1.008 10 N HN 0.552 nan 8.380 nan 0.000 0.424 11 D N 0.484 120.863 120.400 -0.036 0.000 2.104 11 D HA -0.097 4.543 4.640 -0.000 0.000 0.194 11 D C 1.768 177.980 176.300 -0.148 0.000 0.994 11 D CA 1.471 55.420 54.000 -0.086 0.000 0.830 11 D CB -0.278 40.468 40.800 -0.091 0.000 0.959 11 D HN 0.332 nan 8.370 nan 0.000 0.452 12 A N 0.443 123.172 122.820 -0.152 0.000 1.877 12 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 12 A C 2.355 179.892 177.584 -0.078 0.000 1.186 12 A CA 1.464 53.393 52.037 -0.180 0.000 0.620 12 A CB -0.493 18.426 19.000 -0.136 0.000 0.822 12 A HN 0.215 nan 8.150 nan 0.000 0.443 13 R N -0.342 120.135 120.500 -0.039 0.000 2.096 13 R HA -0.111 4.229 4.340 -0.000 0.000 0.235 13 R C 2.150 178.443 176.300 -0.012 0.000 1.127 13 R CA 1.584 57.676 56.100 -0.013 0.000 0.968 13 R CB -0.654 29.645 30.300 -0.003 0.000 0.861 13 R HN 0.603 nan 8.270 nan 0.000 0.440 14 V N -0.590 119.310 119.914 -0.024 0.000 2.427 14 V HA -0.157 3.962 4.120 -0.000 0.000 0.248 14 V C 1.944 178.033 176.094 -0.009 0.000 1.051 14 V CA 1.376 63.667 62.300 -0.015 0.000 1.048 14 V CB -0.378 31.433 31.823 -0.021 0.000 0.666 14 V HN 0.064 nan 8.190 nan 0.000 0.456 15 K N 0.181 120.568 120.400 -0.022 0.000 2.032 15 K HA -0.053 4.267 4.320 -0.000 0.000 0.209 15 K C 2.255 178.883 176.600 0.047 0.000 1.048 15 K CA 2.221 58.516 56.287 0.015 0.000 0.927 15 K CB -0.581 31.921 32.500 0.003 0.000 0.712 15 K HN 0.530 nan 8.250 nan 0.000 0.441 16 M N 0.288 119.914 119.600 0.043 0.000 2.080 16 M HA -0.203 4.276 4.480 -0.000 0.000 0.260 16 M C 2.258 178.576 176.300 0.029 0.000 1.068 16 M CA 1.211 56.538 55.300 0.046 0.000 1.109 16 M CB -0.401 32.223 32.600 0.039 0.000 1.342 16 M HN 0.040 nan 8.290 nan 0.000 0.405 17 L N 0.718 121.953 121.223 0.019 0.000 2.012 17 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 17 L C 2.501 179.379 176.870 0.015 0.000 1.073 17 L CA 1.990 56.838 54.840 0.014 0.000 0.748 17 L CB -0.813 41.252 42.059 0.009 0.000 0.891 17 L HN 0.176 nan 8.230 nan 0.000 0.431 18 R N 0.065 120.574 120.500 0.016 0.000 2.117 18 R HA -0.103 4.237 4.340 -0.000 0.000 0.243 18 R C 2.123 178.434 176.300 0.018 0.000 1.143 18 R CA 1.878 57.987 56.100 0.016 0.000 0.968 18 R CB -1.466 28.844 30.300 0.017 0.000 0.863 18 R HN 0.479 nan 8.270 nan 0.000 0.444 19 G N -0.196 108.619 108.800 0.025 0.000 2.404 19 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.215 19 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.215 19 G C 1.448 176.357 174.900 0.014 0.000 1.174 19 G CA 1.025 46.139 45.100 0.023 0.000 0.780 19 G HN 0.384 nan 8.290 nan 0.000 0.537 20 V N -0.183 119.740 119.914 0.015 0.000 2.759 20 V HA -0.080 4.039 4.120 -0.000 0.000 0.256 20 V C 2.122 178.220 176.094 0.008 0.000 1.080 20 V CA 2.035 64.341 62.300 0.010 0.000 1.101 20 V CB -0.509 31.321 31.823 0.012 0.000 0.698 20 V HN 0.196 nan 8.190 nan 0.000 0.477 21 N N 1.051 119.757 118.700 0.009 0.000 2.142 21 N HA -0.081 4.659 4.740 -0.000 0.000 0.186 21 N C 1.861 177.374 175.510 0.005 0.000 1.023 21 N CA 1.827 54.881 53.050 0.006 0.000 0.852 21 N CB -0.444 38.047 38.487 0.007 0.000 0.998 21 N HN 0.507 nan 8.380 nan 0.000 0.424 22 V N 1.949 121.866 119.914 0.005 0.000 2.287 22 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 22 V C 2.469 178.563 176.094 -0.000 0.000 1.053 22 V CA 1.270 63.571 62.300 0.002 0.000 1.027 22 V CB -0.667 31.158 31.823 0.002 0.000 0.646 22 V HN 0.198 nan 8.190 nan 0.000 0.447 23 L N 0.985 122.208 121.223 -0.001 0.000 1.970 23 L HA -0.139 4.201 4.340 -0.000 0.000 0.212 23 L C 2.466 179.334 176.870 -0.003 0.000 1.071 23 L CA 2.634 57.471 54.840 -0.003 0.000 0.751 23 L CB -1.108 40.949 42.059 -0.004 0.000 0.889 23 L HN 0.213 nan 8.230 nan 0.000 0.432 24 A N -0.674 122.147 122.820 0.000 0.000 1.883 24 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 24 A C 2.010 179.594 177.584 0.001 0.000 1.186 24 A CA 1.997 54.035 52.037 0.001 0.000 0.624 24 A CB -1.058 17.944 19.000 0.004 0.000 0.822 24 A HN 0.611 nan 8.150 nan 0.000 0.444 25 D N 0.042 120.443 120.400 0.001 0.000 2.178 25 D HA -0.052 4.588 4.640 -0.000 0.000 0.201 25 D C 2.127 178.426 176.300 -0.001 0.000 0.980 25 D CA 1.451 55.451 54.000 0.001 0.000 0.842 25 D CB -0.386 40.415 40.800 0.001 0.000 0.948 25 D HN 0.461 nan 8.370 nan 0.000 0.472 26 A N 0.408 123.227 122.820 -0.002 0.000 1.929 26 A HA -0.062 4.258 4.320 -0.000 0.000 0.216 26 A C 2.488 180.070 177.584 -0.004 0.000 1.176 26 A CA 0.802 52.836 52.037 -0.004 0.000 0.628 26 A CB -0.457 18.539 19.000 -0.006 0.000 0.816 26 A HN 0.139 nan 8.150 nan 0.000 0.444 27 V N 1.144 121.055 119.914 -0.004 0.000 2.346 27 V HA -0.206 3.913 4.120 -0.000 0.000 0.244 27 V C 2.483 178.576 176.094 -0.002 0.000 1.037 27 V CA 2.112 64.410 62.300 -0.004 0.000 1.029 27 V CB -0.561 31.259 31.823 -0.006 0.000 0.663 27 V HN 0.835 nan 8.190 nan 0.000 0.454 28 K N 1.404 121.803 120.400 -0.000 0.000 2.442 28 K HA -0.091 4.229 4.320 -0.000 0.000 0.198 28 K C 1.692 178.292 176.600 0.002 0.000 1.042 28 K CA 1.641 57.928 56.287 0.001 0.000 0.958 28 K CB -0.619 31.883 32.500 0.003 0.000 0.766 28 K HN 0.494 nan 8.250 nan 0.000 0.474 29 V N -0.322 119.592 119.914 0.001 0.000 3.141 29 V HA -0.114 4.005 4.120 -0.000 0.000 0.265 29 V C 2.070 178.165 176.094 0.001 0.000 1.126 29 V CA 1.550 63.850 62.300 0.001 0.000 1.141 29 V CB -0.963 30.860 31.823 0.000 0.000 0.743 29 V HN 0.535 nan 8.190 nan 0.000 0.492 30 T N -2.612 111.942 114.554 -0.000 0.000 3.057 30 T HA 0.236 4.585 4.350 -0.000 0.000 0.254 30 T C 0.664 175.364 174.700 0.000 0.000 1.094 30 T CA -0.178 61.921 62.100 -0.001 0.000 1.088 30 T CB -0.249 68.617 68.868 -0.002 0.000 0.934 30 T HN 0.316 nan 8.240 nan 0.000 0.497 31 L N 2.832 124.056 121.223 0.002 0.000 2.559 31 L HA 0.420 4.760 4.340 -0.000 0.000 0.282 31 L C 1.180 178.052 176.870 0.003 0.000 1.232 31 L CA 1.739 56.581 54.840 0.003 0.000 0.885 31 L CB -0.844 41.218 42.059 0.005 0.000 1.131 31 L HN 0.784 nan 8.230 nan 0.000 0.498 32 G N 4.386 113.187 108.800 0.001 0.000 2.741 32 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.222 32 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.222 32 G C -1.743 173.152 174.900 -0.008 0.000 1.364 32 G CA -0.177 44.922 45.100 -0.003 0.000 0.866 32 G HN 0.646 nan 8.290 nan 0.000 0.555 33 P HA 0.074 nan 4.420 nan 0.000 0.222 33 P C 0.924 178.215 177.300 -0.015 0.000 1.153 33 P CA 1.117 64.204 63.100 -0.021 0.000 0.798 33 P CB 0.142 31.819 31.700 -0.038 0.000 0.796 34 K N 0.675 121.070 120.400 -0.008 0.000 2.570 34 K HA 0.251 4.571 4.320 -0.000 0.000 0.210 34 K C 1.026 177.626 176.600 0.000 0.000 1.048 34 K CA -0.196 56.089 56.287 -0.003 0.000 1.167 34 K CB -0.030 32.472 32.500 0.003 0.000 0.892 34 K HN 0.069 nan 8.250 nan 0.000 0.480 35 G N 1.568 110.367 108.800 -0.001 0.000 2.484 35 G HA2 0.021 3.981 3.960 -0.000 0.000 0.235 35 G HA3 0.021 3.981 3.960 -0.000 0.000 0.235 35 G C 0.242 175.142 174.900 -0.001 0.000 1.282 35 G CA -0.337 44.763 45.100 -0.000 0.000 0.857 35 G HN 0.098 nan 8.290 nan 0.000 0.571 36 R N 0.782 121.282 120.500 0.000 0.000 2.549 36 R HA 0.243 4.583 4.340 -0.000 0.000 0.259 36 R C -0.033 176.266 176.300 -0.001 0.000 1.095 36 R CA -0.798 55.302 56.100 -0.000 0.000 1.148 36 R CB 0.298 30.598 30.300 0.000 0.000 1.181 36 R HN 0.637 nan 8.270 nan 0.000 0.571 37 N N -0.939 117.760 118.700 -0.001 0.000 2.509 37 N HA 0.351 5.091 4.740 -0.000 0.000 0.287 37 N C -1.021 174.488 175.510 -0.002 0.000 1.121 37 N CA -0.489 52.560 53.050 -0.002 0.000 0.977 37 N CB 1.540 40.026 38.487 -0.001 0.000 1.167 37 N HN 0.084 nan 8.380 nan 0.000 0.476 38 V N 1.877 121.789 119.914 -0.003 0.000 2.495 38 V HA 0.370 4.490 4.120 -0.000 0.000 0.298 38 V C -0.381 175.711 176.094 -0.004 0.000 1.031 38 V CA -0.828 61.469 62.300 -0.004 0.000 0.871 38 V CB 1.814 33.634 31.823 -0.005 0.000 0.988 38 V HN 0.330 nan 8.190 nan 0.000 0.432 39 V N 6.181 126.092 119.914 -0.005 0.000 2.370 39 V HA 0.437 4.557 4.120 -0.000 0.000 0.279 39 V C -0.161 175.928 176.094 -0.007 0.000 1.029 39 V CA -0.410 61.887 62.300 -0.004 0.000 0.870 39 V CB 1.297 33.118 31.823 -0.004 0.000 0.984 39 V HN 0.614 nan 8.190 nan 0.000 0.451 40 L N 3.946 125.165 121.223 -0.007 0.000 2.280 40 L HA 0.489 4.829 4.340 -0.000 0.000 0.287 40 L C -0.069 176.795 176.870 -0.011 0.000 1.023 40 L CA -0.503 54.331 54.840 -0.010 0.000 0.819 40 L CB 1.439 43.492 42.059 -0.011 0.000 1.212 40 L HN 0.554 nan 8.230 nan 0.000 0.420 41 D N 3.356 123.747 120.400 -0.016 0.000 2.372 41 D HA 0.223 4.863 4.640 -0.000 0.000 0.243 41 D C -0.618 175.666 176.300 -0.026 0.000 1.121 41 D CA 0.241 54.229 54.000 -0.020 0.000 0.898 41 D CB 0.892 41.676 40.800 -0.026 0.000 1.202 41 D HN 0.335 nan 8.370 nan 0.000 0.428 42 K N 1.137 121.522 120.400 -0.025 0.000 2.426 42 K HA 0.209 4.529 4.320 -0.000 0.000 0.254 42 K C 1.073 177.628 176.600 -0.074 0.000 0.936 42 K CA -0.554 55.714 56.287 -0.032 0.000 0.801 42 K CB 1.768 34.273 32.500 0.009 0.000 1.139 42 K HN 0.419 nan 8.250 nan 0.000 0.424 43 S N 2.048 117.646 115.700 -0.170 0.000 2.389 43 S HA -0.175 4.295 4.470 -0.000 0.000 0.231 43 S C 0.501 174.874 174.600 -0.378 0.000 1.052 43 S CA 1.159 59.145 58.200 -0.358 0.000 1.053 43 S CB -0.379 62.461 63.200 -0.600 0.000 0.886 43 S HN 0.401 nan 8.310 nan 0.000 0.456 44 F N 2.689 122.637 119.950 -0.003 0.000 2.402 44 F HA 0.689 5.216 4.527 -0.001 0.000 0.355 44 F C 1.163 176.961 175.800 -0.002 0.000 1.123 44 F CA -0.151 57.848 58.000 -0.002 0.000 1.021 44 F CB 1.081 40.080 39.000 -0.002 0.000 1.160 44 F HN 0.557 nan 8.300 nan 0.000 0.451 45 G N 1.507 110.425 108.800 0.197 0.000 2.512 45 G HA2 0.268 4.228 3.960 -0.000 0.000 0.210 45 G HA3 0.268 4.228 3.960 -0.000 0.000 0.210 45 G C -0.892 174.045 174.900 0.062 0.000 1.295 45 G CA -0.602 44.562 45.100 0.107 0.000 0.934 45 G HN 0.996 nan 8.290 nan 0.000 0.554 46 A N 0.762 123.609 122.820 0.044 0.000 2.322 46 A HA 0.809 5.129 4.320 -0.000 0.000 0.269 46 A C -1.500 176.097 177.584 0.022 0.000 1.094 46 A CA -0.340 51.714 52.037 0.027 0.000 0.807 46 A CB -0.008 19.005 19.000 0.021 0.000 1.047 46 A HN 0.706 nan 8.150 nan 0.000 0.487 47 P HA 0.237 nan 4.420 nan 0.000 0.271 47 P C -0.309 176.996 177.300 0.007 0.000 1.233 47 P CA 0.078 63.181 63.100 0.006 0.000 0.789 47 P CB 0.396 32.097 31.700 0.001 0.000 0.951 48 T N 1.818 116.374 114.554 0.004 0.000 2.799 48 T HA 0.483 4.832 4.350 -0.000 0.000 0.286 48 T C 0.207 174.908 174.700 0.001 0.000 0.973 48 T CA -0.243 61.859 62.100 0.004 0.000 1.035 48 T CB -0.012 68.857 68.868 0.003 0.000 0.932 48 T HN 0.166 nan 8.240 nan 0.000 0.469 49 I N 2.856 123.427 120.570 0.001 0.000 2.354 49 I HA 0.511 4.681 4.170 -0.000 0.000 0.292 49 I C 0.500 176.616 176.117 -0.001 0.000 0.989 49 I CA -0.461 60.839 61.300 -0.000 0.000 1.188 49 I CB 1.736 39.736 38.000 0.001 0.000 1.342 49 I HN 0.512 nan 8.210 nan 0.000 0.457 50 T N 4.373 118.926 114.554 -0.002 0.000 2.864 50 T HA 0.412 4.762 4.350 -0.000 0.000 0.299 50 T C -0.107 174.591 174.700 -0.003 0.000 1.166 50 T CA -0.575 61.524 62.100 -0.002 0.000 1.007 50 T CB 1.813 70.679 68.868 -0.003 0.000 1.219 50 T HN 0.674 nan 8.240 nan 0.000 0.506 51 K N 0.987 121.385 120.400 -0.002 0.000 2.469 51 K HA 0.199 4.519 4.320 -0.000 0.000 0.204 51 K C -0.743 175.855 176.600 -0.003 0.000 1.047 51 K CA -0.248 56.038 56.287 -0.003 0.000 1.072 51 K CB 0.571 33.069 32.500 -0.003 0.000 0.863 51 K HN 0.469 nan 8.250 nan 0.000 0.530 52 D N 0.315 120.713 120.400 -0.003 0.000 2.365 52 D HA 0.097 4.737 4.640 -0.000 0.000 0.237 52 D C 1.222 177.519 176.300 -0.006 0.000 1.190 52 D CA -0.100 53.898 54.000 -0.003 0.000 0.867 52 D CB 1.198 41.996 40.800 -0.003 0.000 1.050 52 D HN 0.199 nan 8.370 nan 0.000 0.491 53 G N 2.462 111.259 108.800 -0.006 0.000 2.462 53 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.220 53 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.220 53 G C 1.422 176.315 174.900 -0.013 0.000 1.121 53 G CA 0.678 45.773 45.100 -0.008 0.000 0.758 53 G HN 0.489 nan 8.290 nan 0.000 0.559 54 V N 0.743 120.649 119.914 -0.014 0.000 2.453 54 V HA -0.132 3.988 4.120 -0.000 0.000 0.247 54 V C 3.009 179.090 176.094 -0.021 0.000 1.048 54 V CA 1.999 64.287 62.300 -0.020 0.000 1.049 54 V CB -0.326 31.485 31.823 -0.019 0.000 0.672 54 V HN 0.344 nan 8.190 nan 0.000 0.457 55 S N 0.126 115.817 115.700 -0.016 0.000 2.356 55 S HA -0.154 4.316 4.470 -0.000 0.000 0.223 55 S C 2.059 176.648 174.600 -0.019 0.000 1.032 55 S CA 1.499 59.689 58.200 -0.017 0.000 1.005 55 S CB -0.192 63.002 63.200 -0.011 0.000 0.867 55 S HN 0.377 nan 8.310 nan 0.000 0.449 56 V N 2.237 122.142 119.914 -0.015 0.000 2.261 56 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 56 V C 2.705 178.788 176.094 -0.019 0.000 1.047 56 V CA 1.790 64.081 62.300 -0.015 0.000 1.015 56 V CB -1.333 30.483 31.823 -0.012 0.000 0.642 56 V HN 0.541 nan 8.190 nan 0.000 0.446 57 A N -0.328 122.480 122.820 -0.020 0.000 1.917 57 A HA -0.311 4.009 4.320 -0.000 0.000 0.219 57 A C 2.413 179.979 177.584 -0.030 0.000 1.182 57 A CA 2.263 54.285 52.037 -0.024 0.000 0.633 57 A CB -0.686 18.299 19.000 -0.025 0.000 0.819 57 A HN 0.464 nan 8.150 nan 0.000 0.448 58 R N -0.601 119.879 120.500 -0.034 0.000 2.117 58 R HA -0.157 4.183 4.340 -0.000 0.000 0.243 58 R C 1.558 177.834 176.300 -0.040 0.000 1.143 58 R CA 1.616 57.691 56.100 -0.042 0.000 0.968 58 R CB -0.150 30.123 30.300 -0.045 0.000 0.863 58 R HN 0.504 nan 8.270 nan 0.000 0.444 59 E N 0.185 120.366 120.200 -0.031 0.000 2.358 59 E HA -0.033 4.317 4.350 -0.000 0.000 0.195 59 E C 0.362 176.946 176.600 -0.026 0.000 1.010 59 E CA 0.242 56.625 56.400 -0.029 0.000 0.856 59 E CB 0.122 29.807 29.700 -0.024 0.000 0.795 59 E HN 0.227 nan 8.360 nan 0.000 0.504 60 I N 1.973 122.529 120.570 -0.025 0.000 2.452 60 I HA 0.114 4.284 4.170 -0.000 0.000 0.287 60 I C 0.378 176.481 176.117 -0.023 0.000 1.079 60 I CA 0.268 61.556 61.300 -0.021 0.000 1.387 60 I CB 0.071 38.060 38.000 -0.017 0.000 1.404 60 I HN -0.051 nan 8.210 nan 0.000 0.522 61 E N 6.999 127.187 120.200 -0.021 0.000 2.307 61 E HA 0.436 4.786 4.350 -0.000 0.000 0.280 61 E C -1.680 174.909 176.600 -0.018 0.000 0.900 61 E CA -0.561 55.826 56.400 -0.022 0.000 0.790 61 E CB 1.789 31.474 29.700 -0.025 0.000 1.261 61 E HN 0.443 nan 8.360 nan 0.000 0.405 62 L N 3.481 124.694 121.223 -0.016 0.000 2.360 62 L HA 0.370 4.710 4.340 -0.000 0.000 0.271 62 L C 1.542 178.403 176.870 -0.014 0.000 1.057 62 L CA -0.392 54.441 54.840 -0.010 0.000 0.803 62 L CB 1.403 43.462 42.059 -0.001 0.000 1.207 62 L HN 0.748 nan 8.230 nan 0.000 0.445 63 E N 0.997 121.191 120.200 -0.010 0.000 2.072 63 E HA -0.177 4.172 4.350 -0.000 0.000 0.191 63 E C 0.557 177.150 176.600 -0.010 0.000 0.985 63 E CA 0.527 56.919 56.400 -0.012 0.000 0.801 63 E CB 0.266 29.962 29.700 -0.007 0.000 0.750 63 E HN 0.671 nan 8.360 nan 0.000 0.452 64 D N 0.783 121.187 120.400 0.008 0.000 2.382 64 D HA -0.063 4.576 4.640 -0.000 0.000 0.259 64 D C 0.665 176.964 176.300 -0.002 0.000 1.224 64 D CA 0.011 54.028 54.000 0.029 0.000 0.894 64 D CB 0.866 41.706 40.800 0.068 0.000 1.127 64 D HN 0.064 nan 8.370 nan 0.000 0.487 65 K N 3.606 123.961 120.400 -0.076 0.000 2.089 65 K HA -0.196 4.124 4.320 -0.000 0.000 0.210 65 K C 1.879 178.331 176.600 -0.247 0.000 1.048 65 K CA 1.269 57.431 56.287 -0.209 0.000 0.926 65 K CB -0.375 31.910 32.500 -0.358 0.000 0.714 65 K HN 0.487 nan 8.250 nan 0.000 0.448 66 F N 1.738 121.674 119.950 -0.024 0.000 2.113 66 F HA -0.081 4.446 4.527 -0.000 0.000 0.297 66 F C 2.498 178.285 175.800 -0.021 0.000 1.103 66 F CA 1.163 59.147 58.000 -0.027 0.000 1.248 66 F CB -0.541 38.442 39.000 -0.029 0.000 0.999 66 F HN 0.105 nan 8.300 nan 0.000 0.475 67 E N -0.048 120.252 120.200 0.167 0.000 2.085 67 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 67 E C 1.870 178.496 176.600 0.043 0.000 0.994 67 E CA 1.412 57.864 56.400 0.087 0.000 0.801 67 E CB -0.366 29.372 29.700 0.063 0.000 0.743 67 E HN 0.326 nan 8.360 nan 0.000 0.453 68 N N 0.547 119.257 118.700 0.016 0.000 2.120 68 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 68 N C 1.754 177.256 175.510 -0.013 0.000 1.024 68 N CA 1.309 54.353 53.050 -0.010 0.000 0.852 68 N CB 0.000 38.467 38.487 -0.034 0.000 1.003 68 N HN 0.069 nan 8.380 nan 0.000 0.424 69 M N -0.729 118.861 119.600 -0.017 0.000 2.149 69 M HA -0.058 4.422 4.480 -0.000 0.000 0.261 69 M C 2.157 178.463 176.300 0.010 0.000 1.064 69 M CA 1.659 56.950 55.300 -0.014 0.000 1.102 69 M CB -0.525 32.065 32.600 -0.016 0.000 1.369 69 M HN 0.335 nan 8.290 nan 0.000 0.408 70 G N -0.118 108.699 108.800 0.029 0.000 2.421 70 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.216 70 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.216 70 G C 1.631 176.539 174.900 0.014 0.000 1.171 70 G CA 0.958 46.075 45.100 0.028 0.000 0.775 70 G HN 0.538 nan 8.290 nan 0.000 0.543 71 A N 0.032 122.858 122.820 0.009 0.000 1.877 71 A HA -0.060 4.260 4.320 -0.000 0.000 0.216 71 A C 2.412 179.992 177.584 -0.007 0.000 1.186 71 A CA 1.958 53.995 52.037 0.000 0.000 0.620 71 A CB -0.392 18.607 19.000 -0.003 0.000 0.822 71 A HN 0.297 nan 8.150 nan 0.000 0.443 72 Q N -0.585 119.208 119.800 -0.011 0.000 2.124 72 Q HA -0.138 4.201 4.340 -0.000 0.000 0.202 72 Q C 2.142 178.133 176.000 -0.015 0.000 0.977 72 Q CA 1.554 57.346 55.803 -0.018 0.000 0.850 72 Q CB -0.548 28.177 28.738 -0.022 0.000 0.901 72 Q HN 0.775 nan 8.270 nan 0.000 0.429 73 M N -0.224 119.373 119.600 -0.006 0.000 2.059 73 M HA -0.157 4.323 4.480 -0.000 0.000 0.259 73 M C 2.297 178.597 176.300 -0.001 0.000 1.072 73 M CA 1.704 57.004 55.300 -0.001 0.000 1.117 73 M CB -0.478 32.127 32.600 0.009 0.000 1.320 73 M HN 0.194 nan 8.290 nan 0.000 0.408 74 V N -0.525 119.389 119.914 0.001 0.000 2.548 74 V HA -0.212 3.907 4.120 -0.000 0.000 0.249 74 V C 2.040 178.125 176.094 -0.014 0.000 1.055 74 V CA 1.953 64.254 62.300 0.002 0.000 1.065 74 V CB -0.633 31.195 31.823 0.008 0.000 0.681 74 V HN 0.461 nan 8.190 nan 0.000 0.462 75 K N -0.003 120.385 120.400 -0.019 0.000 2.063 75 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 75 K C 2.319 178.891 176.600 -0.046 0.000 1.048 75 K CA 2.194 58.463 56.287 -0.031 0.000 0.928 75 K CB -0.274 32.209 32.500 -0.029 0.000 0.713 75 K HN 0.716 nan 8.250 nan 0.000 0.442 76 E N -0.053 120.122 120.200 -0.043 0.000 2.015 76 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 76 E C 1.982 178.526 176.600 -0.094 0.000 0.991 76 E CA 1.657 58.023 56.400 -0.057 0.000 0.802 76 E CB 0.027 29.705 29.700 -0.038 0.000 0.759 76 E HN 0.294 nan 8.360 nan 0.000 0.447 77 V N -0.916 118.954 119.914 -0.074 0.000 2.626 77 V HA -0.057 4.063 4.120 -0.000 0.000 0.252 77 V C 2.193 178.160 176.094 -0.211 0.000 1.067 77 V CA 1.661 63.886 62.300 -0.125 0.000 1.081 77 V CB -0.613 31.225 31.823 0.025 0.000 0.686 77 V HN 0.273 nan 8.190 nan 0.000 0.468 78 A N 1.692 124.448 122.820 -0.107 0.000 1.933 78 A HA -0.157 4.162 4.320 -0.000 0.000 0.218 78 A C 2.641 180.133 177.584 -0.153 0.000 1.175 78 A CA 2.480 54.461 52.037 -0.092 0.000 0.628 78 A CB -1.086 17.890 19.000 -0.041 0.000 0.814 78 A HN 1.012 nan 8.150 nan 0.000 0.444 79 S N 0.117 115.725 115.700 -0.153 0.000 2.399 79 S HA -0.199 4.271 4.470 -0.000 0.000 0.231 79 S C 1.789 176.253 174.600 -0.227 0.000 1.022 79 S CA 1.512 59.624 58.200 -0.147 0.000 0.983 79 S CB -0.456 62.679 63.200 -0.108 0.000 0.803 79 S HN 0.602 nan 8.310 nan 0.000 0.480 80 K N 1.426 121.594 120.400 -0.386 0.000 2.211 80 K HA 0.009 4.329 4.320 -0.000 0.000 0.204 80 K C 2.447 178.712 176.600 -0.558 0.000 1.047 80 K CA 1.134 57.079 56.287 -0.571 0.000 0.935 80 K CB -0.527 31.366 32.500 -1.013 0.000 0.728 80 K HN 0.563 nan 8.250 nan 0.000 0.452 81 A N 1.631 124.175 122.820 -0.461 0.000 1.873 81 A HA -0.196 4.124 4.320 -0.000 0.000 0.215 81 A C 1.918 179.470 177.584 -0.055 0.000 1.186 81 A CA 1.755 53.739 52.037 -0.089 0.000 0.616 81 A CB -0.576 18.444 19.000 0.034 0.000 0.823 81 A HN 0.261 nan 8.150 nan 0.000 0.442 82 N N 0.157 118.802 118.700 -0.091 0.000 2.166 82 N HA -0.131 4.609 4.740 -0.000 0.000 0.186 82 N C 1.157 176.605 175.510 -0.103 0.000 1.019 82 N CA 1.547 54.551 53.050 -0.076 0.000 0.856 82 N CB -0.169 38.275 38.487 -0.072 0.000 0.993 82 N HN 0.410 nan 8.380 nan 0.000 0.426 83 D N -0.262 120.066 120.400 -0.119 0.000 2.144 83 D HA -0.099 4.540 4.640 -0.000 0.000 0.199 83 D C 1.653 177.893 176.300 -0.100 0.000 0.984 83 D CA 1.159 55.086 54.000 -0.122 0.000 0.834 83 D CB -0.324 40.403 40.800 -0.122 0.000 0.955 83 D HN 0.374 nan 8.370 nan 0.000 0.465 84 A N 0.302 123.091 122.820 -0.052 0.000 1.930 84 A HA 0.265 4.584 4.320 -0.000 0.000 0.215 84 A C 1.973 179.556 177.584 -0.003 0.000 1.176 84 A CA 1.591 53.630 52.037 0.004 0.000 0.632 84 A CB 0.082 19.147 19.000 0.108 0.000 0.819 84 A HN 0.222 nan 8.150 nan 0.000 0.445 85 A N -2.755 120.060 122.820 -0.009 0.000 2.551 85 A HA 0.477 4.797 4.320 -0.000 0.000 0.252 85 A C 1.510 179.083 177.584 -0.018 0.000 1.199 85 A CA 0.961 52.998 52.037 0.001 0.000 0.972 85 A CB -0.303 18.714 19.000 0.029 0.000 1.153 85 A HN 1.815 nan 8.150 nan 0.000 0.559 86 G N -0.535 108.216 108.800 -0.082 0.000 2.168 86 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.263 86 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.263 86 G C -0.146 174.743 174.900 -0.017 0.000 0.977 86 G CA 0.812 45.852 45.100 -0.099 0.000 0.659 86 G HN 0.978 nan 8.290 nan 0.000 0.533 87 D N -3.235 117.158 120.400 -0.011 0.000 2.755 87 D HA 0.572 5.212 4.640 -0.000 0.000 0.277 87 D C 0.798 177.102 176.300 0.007 0.000 1.261 87 D CA 1.437 55.439 54.000 0.004 0.000 0.759 87 D CB 0.177 40.988 40.800 0.018 0.000 1.279 87 D HN 1.417 nan 8.370 nan 0.000 0.420 88 G N -0.133 108.673 108.800 0.009 0.000 2.163 88 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.213 88 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.213 88 G C 1.072 175.980 174.900 0.012 0.000 0.991 88 G CA 0.757 45.868 45.100 0.018 0.000 0.653 88 G HN 0.560 nan 8.290 nan 0.000 0.518 89 T N 0.624 115.174 114.554 -0.006 0.000 2.777 89 T HA -0.043 4.307 4.350 -0.000 0.000 0.266 89 T C 2.608 177.304 174.700 -0.007 0.000 1.040 89 T CA 2.462 64.551 62.100 -0.018 0.000 1.141 89 T CB -0.257 68.591 68.868 -0.034 0.000 0.868 89 T HN 0.435 nan 8.240 nan 0.000 0.444 90 T N 1.339 115.891 114.554 -0.004 0.000 2.777 90 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 90 T C 2.223 176.927 174.700 0.007 0.000 1.040 90 T CA 1.562 63.662 62.100 -0.000 0.000 1.141 90 T CB -0.618 68.249 68.868 -0.000 0.000 0.868 90 T HN 0.379 nan 8.240 nan 0.000 0.444 91 T N 2.205 116.766 114.554 0.011 0.000 2.652 91 T HA -0.102 4.247 4.350 -0.000 0.000 0.267 91 T C 2.397 177.110 174.700 0.023 0.000 1.039 91 T CA 1.316 63.426 62.100 0.017 0.000 1.153 91 T CB -0.648 68.232 68.868 0.020 0.000 0.863 91 T HN 0.432 nan 8.240 nan 0.000 0.428 92 A N 1.211 124.049 122.820 0.030 0.000 1.940 92 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 92 A C 2.555 180.158 177.584 0.031 0.000 1.176 92 A CA 2.261 54.324 52.037 0.044 0.000 0.631 92 A CB -1.287 17.747 19.000 0.058 0.000 0.814 92 A HN 0.505 nan 8.150 nan 0.000 0.446 93 T N -0.447 114.117 114.554 0.017 0.000 2.737 93 T HA -0.127 4.223 4.350 -0.000 0.000 0.265 93 T C 2.003 176.710 174.700 0.013 0.000 1.038 93 T CA 1.880 63.986 62.100 0.011 0.000 1.144 93 T CB -0.719 68.150 68.868 0.002 0.000 0.866 93 T HN 0.679 nan 8.240 nan 0.000 0.434 94 V N 0.726 120.647 119.914 0.012 0.000 2.626 94 V HA -0.008 4.112 4.120 -0.000 0.000 0.252 94 V C 2.138 178.241 176.094 0.014 0.000 1.067 94 V CA 1.369 63.675 62.300 0.011 0.000 1.081 94 V CB -0.914 30.915 31.823 0.009 0.000 0.686 94 V HN 0.467 nan 8.190 nan 0.000 0.468 95 L N 0.499 121.733 121.223 0.018 0.000 2.027 95 L HA -0.014 4.326 4.340 -0.000 0.000 0.206 95 L C 3.054 179.936 176.870 0.020 0.000 1.074 95 L CA 1.695 56.547 54.840 0.020 0.000 0.745 95 L CB -0.905 41.169 42.059 0.025 0.000 0.898 95 L HN 0.450 nan 8.230 nan 0.000 0.433 96 A N -0.511 122.323 122.820 0.024 0.000 1.902 96 A HA -0.301 4.019 4.320 -0.000 0.000 0.217 96 A C 2.246 179.840 177.584 0.018 0.000 1.181 96 A CA 1.952 54.003 52.037 0.024 0.000 0.623 96 A CB -0.638 18.378 19.000 0.027 0.000 0.818 96 A HN 0.512 nan 8.150 nan 0.000 0.443 97 Q N -0.490 119.319 119.800 0.015 0.000 2.061 97 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 97 Q C 2.193 178.199 176.000 0.011 0.000 0.984 97 Q CA 1.816 57.626 55.803 0.012 0.000 0.846 97 Q CB -0.370 28.374 28.738 0.009 0.000 0.902 97 Q HN 0.598 nan 8.270 nan 0.000 0.421 98 A N 0.855 123.681 122.820 0.011 0.000 1.877 98 A HA -0.174 4.146 4.320 -0.000 0.000 0.216 98 A C 2.011 179.601 177.584 0.010 0.000 1.186 98 A CA 1.534 53.576 52.037 0.010 0.000 0.620 98 A CB -0.712 18.294 19.000 0.010 0.000 0.822 98 A HN 0.495 nan 8.150 nan 0.000 0.443 99 I N -0.366 120.211 120.570 0.012 0.000 2.179 99 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 99 I C 2.339 178.463 176.117 0.011 0.000 1.088 99 I CA 1.325 62.632 61.300 0.012 0.000 1.357 99 I CB -0.417 37.591 38.000 0.014 0.000 1.051 99 I HN 0.295 nan 8.210 nan 0.000 0.409 100 I N 0.470 121.048 120.570 0.013 0.000 2.163 100 I HA -0.298 3.872 4.170 -0.000 0.000 0.243 100 I C 2.606 178.729 176.117 0.010 0.000 1.085 100 I CA 1.650 62.958 61.300 0.012 0.000 1.347 100 I CB -0.670 37.338 38.000 0.014 0.000 1.044 100 I HN 0.272 nan 8.210 nan 0.000 0.408 101 T N 0.254 114.813 114.554 0.009 0.000 2.622 101 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 101 T C 1.839 176.543 174.700 0.006 0.000 1.047 101 T CA 1.376 63.480 62.100 0.007 0.000 1.159 101 T CB -0.218 68.654 68.868 0.006 0.000 0.863 101 T HN 0.278 nan 8.240 nan 0.000 0.422 102 E N 0.694 120.898 120.200 0.006 0.000 2.110 102 E HA -0.039 4.310 4.350 -0.000 0.000 0.193 102 E C 2.530 179.133 176.600 0.006 0.000 0.988 102 E CA 1.134 57.537 56.400 0.005 0.000 0.804 102 E CB -0.935 28.768 29.700 0.005 0.000 0.745 102 E HN 0.576 nan 8.360 nan 0.000 0.458 103 G N 1.327 110.131 108.800 0.007 0.000 2.421 103 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.216 103 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.216 103 G C 1.725 176.629 174.900 0.007 0.000 1.171 103 G CA 0.588 45.692 45.100 0.007 0.000 0.775 103 G HN 0.198 nan 8.290 nan 0.000 0.543 104 L N -0.155 121.072 121.223 0.007 0.000 2.141 104 L HA -0.034 4.306 4.340 -0.000 0.000 0.209 104 L C 2.941 179.814 176.870 0.005 0.000 1.094 104 L CA 0.970 55.813 54.840 0.006 0.000 0.763 104 L CB -0.323 41.740 42.059 0.006 0.000 0.908 104 L HN 0.197 nan 8.230 nan 0.000 0.437 105 K N 0.231 120.634 120.400 0.004 0.000 2.026 105 K HA -0.179 4.140 4.320 -0.000 0.000 0.208 105 K C 2.255 178.857 176.600 0.003 0.000 1.048 105 K CA 1.505 57.794 56.287 0.003 0.000 0.929 105 K CB -0.199 32.303 32.500 0.003 0.000 0.713 105 K HN 0.282 nan 8.250 nan 0.000 0.439 106 A N 0.938 123.760 122.820 0.004 0.000 1.902 106 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 106 A C 2.333 179.919 177.584 0.004 0.000 1.181 106 A CA 1.526 53.565 52.037 0.004 0.000 0.623 106 A CB -0.703 18.299 19.000 0.004 0.000 0.818 106 A HN 0.097 nan 8.150 nan 0.000 0.443 107 V N -0.144 119.773 119.914 0.005 0.000 2.332 107 V HA -0.276 3.843 4.120 -0.000 0.000 0.248 107 V C 3.008 179.105 176.094 0.005 0.000 1.055 107 V CA 2.015 64.319 62.300 0.006 0.000 1.038 107 V CB -1.184 30.644 31.823 0.008 0.000 0.651 107 V HN 0.625 nan 8.190 nan 0.000 0.450 108 A N -0.175 122.647 122.820 0.004 0.000 1.969 108 A HA 0.044 4.363 4.320 -0.000 0.000 0.218 108 A C 2.261 179.846 177.584 0.001 0.000 1.169 108 A CA 1.509 53.547 52.037 0.002 0.000 0.635 108 A CB -0.546 18.455 19.000 0.001 0.000 0.810 108 A HN 0.582 nan 8.150 nan 0.000 0.445 109 A N -1.638 121.183 122.820 0.002 0.000 2.239 109 A HA 0.380 4.700 4.320 -0.000 0.000 0.209 109 A C 1.756 179.340 177.584 0.001 0.000 1.171 109 A CA 1.291 53.328 52.037 0.001 0.000 0.768 109 A CB -0.950 18.051 19.000 0.001 0.000 0.790 109 A HN 1.854 nan 8.150 nan 0.000 0.478 110 G N -1.939 106.862 108.800 0.002 0.000 2.141 110 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.231 110 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.231 110 G C 0.148 175.050 174.900 0.002 0.000 0.984 110 G CA 0.221 45.322 45.100 0.001 0.000 0.660 110 G HN 0.386 nan 8.290 nan 0.000 0.525 111 M N 0.594 120.195 119.600 0.003 0.000 2.255 111 M HA 0.232 4.712 4.480 -0.000 0.000 0.336 111 M C 0.737 177.040 176.300 0.004 0.000 1.135 111 M CA -0.529 54.773 55.300 0.003 0.000 1.145 111 M CB 0.499 33.101 32.600 0.003 0.000 1.473 111 M HN 0.175 nan 8.290 nan 0.000 0.462 112 N N 2.614 121.316 118.700 0.004 0.000 2.452 112 N HA 0.074 4.814 4.740 -0.000 0.000 0.266 112 N C -2.117 173.397 175.510 0.007 0.000 1.209 112 N CA -1.155 51.898 53.050 0.005 0.000 0.929 112 N CB 1.178 39.668 38.487 0.005 0.000 1.063 112 N HN 0.290 nan 8.380 nan 0.000 0.472 113 P HA -0.143 nan 4.420 nan 0.000 0.215 113 P C 1.688 178.993 177.300 0.009 0.000 1.157 113 P CA 1.439 64.545 63.100 0.010 0.000 0.874 113 P CB 0.195 31.903 31.700 0.013 0.000 0.790 114 M N -0.857 118.748 119.600 0.009 0.000 2.159 114 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 114 M C 1.504 177.808 176.300 0.006 0.000 1.063 114 M CA 1.647 56.952 55.300 0.008 0.000 1.110 114 M CB -1.718 30.887 32.600 0.008 0.000 1.374 114 M HN 0.007 nan 8.290 nan 0.000 0.411 115 D N 0.367 120.770 120.400 0.005 0.000 2.149 115 D HA -0.023 4.617 4.640 -0.000 0.000 0.201 115 D C 2.323 178.625 176.300 0.004 0.000 0.972 115 D CA 0.888 54.890 54.000 0.004 0.000 0.835 115 D CB -0.066 40.736 40.800 0.003 0.000 0.966 115 D HN 0.328 nan 8.370 nan 0.000 0.476 116 L N 0.918 122.144 121.223 0.005 0.000 2.042 116 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 116 L C 2.558 179.431 176.870 0.005 0.000 1.076 116 L CA 1.159 56.002 54.840 0.005 0.000 0.749 116 L CB -0.332 41.730 42.059 0.006 0.000 0.893 116 L HN -0.017 nan 8.230 nan 0.000 0.432 117 K N 0.439 120.842 120.400 0.006 0.000 2.025 117 K HA -0.225 4.095 4.320 -0.000 0.000 0.207 117 K C 2.346 178.948 176.600 0.003 0.000 1.049 117 K CA 1.342 57.633 56.287 0.005 0.000 0.933 117 K CB -0.031 32.473 32.500 0.007 0.000 0.714 117 K HN 0.084 nan 8.250 nan 0.000 0.438 118 R N -0.220 120.281 120.500 0.002 0.000 2.096 118 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 118 R C 2.287 178.587 176.300 -0.000 0.000 1.127 118 R CA 1.680 57.780 56.100 0.000 0.000 0.968 118 R CB -0.475 29.825 30.300 0.001 0.000 0.861 118 R HN 0.418 nan 8.270 nan 0.000 0.440 119 G N 0.569 109.369 108.800 0.001 0.000 2.402 119 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.216 119 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.216 119 G C 1.420 176.320 174.900 0.000 0.000 1.162 119 G CA 0.691 45.792 45.100 0.001 0.000 0.777 119 G HN 0.242 nan 8.290 nan 0.000 0.539 120 I N 1.010 121.581 120.570 0.001 0.000 2.179 120 I HA -0.142 4.028 4.170 -0.000 0.000 0.242 120 I C 2.314 178.430 176.117 -0.003 0.000 1.088 120 I CA 1.233 62.533 61.300 0.001 0.000 1.357 120 I CB -0.185 37.816 38.000 0.003 0.000 1.051 120 I HN 0.049 nan 8.210 nan 0.000 0.409 121 D N 0.844 121.242 120.400 -0.004 0.000 2.123 121 D HA -0.221 4.418 4.640 -0.000 0.000 0.196 121 D C 2.053 178.348 176.300 -0.010 0.000 0.992 121 D CA 1.251 55.246 54.000 -0.009 0.000 0.833 121 D CB -0.240 40.555 40.800 -0.009 0.000 0.954 121 D HN 0.277 nan 8.370 nan 0.000 0.455 122 K N 0.728 121.124 120.400 -0.006 0.000 2.032 122 K HA -0.141 4.179 4.320 -0.000 0.000 0.209 122 K C 2.068 178.665 176.600 -0.005 0.000 1.048 122 K CA 1.441 57.725 56.287 -0.006 0.000 0.927 122 K CB -0.098 32.400 32.500 -0.003 0.000 0.712 122 K HN 0.023 nan 8.250 nan 0.000 0.441 123 A N 0.601 123.419 122.820 -0.003 0.000 1.883 123 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 123 A C 2.267 179.848 177.584 -0.004 0.000 1.186 123 A CA 1.925 53.961 52.037 -0.002 0.000 0.624 123 A CB -0.787 18.213 19.000 0.000 0.000 0.822 123 A HN 0.198 nan 8.150 nan 0.000 0.444 124 V N -0.328 119.581 119.914 -0.008 0.000 2.295 124 V HA -0.243 3.877 4.120 -0.000 0.000 0.246 124 V C 2.752 178.836 176.094 -0.017 0.000 1.049 124 V CA 2.500 64.793 62.300 -0.013 0.000 1.024 124 V CB -1.371 30.440 31.823 -0.019 0.000 0.648 124 V HN 0.624 nan 8.190 nan 0.000 0.447 125 T N 0.597 115.141 114.554 -0.017 0.000 2.635 125 T HA -0.244 4.105 4.350 -0.000 0.000 0.267 125 T C 2.057 176.750 174.700 -0.012 0.000 1.040 125 T CA 1.895 63.984 62.100 -0.018 0.000 1.156 125 T CB -0.528 68.331 68.868 -0.015 0.000 0.863 125 T HN 0.586 nan 8.240 nan 0.000 0.430 126 A N 1.355 124.171 122.820 -0.008 0.000 1.902 126 A HA 0.139 4.459 4.320 -0.000 0.000 0.217 126 A C 2.651 180.234 177.584 -0.002 0.000 1.181 126 A CA 1.901 53.936 52.037 -0.004 0.000 0.623 126 A CB -1.103 17.896 19.000 -0.002 0.000 0.818 126 A HN 0.525 nan 8.150 nan 0.000 0.443 127 A N -0.567 122.251 122.820 -0.003 0.000 1.902 127 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 127 A C 2.200 179.783 177.584 -0.002 0.000 1.181 127 A CA 1.768 53.805 52.037 -0.001 0.000 0.623 127 A CB -0.914 18.086 19.000 -0.001 0.000 0.818 127 A HN 0.409 nan 8.150 nan 0.000 0.443 128 V N 0.315 120.224 119.914 -0.009 0.000 2.407 128 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 128 V C 2.543 178.633 176.094 -0.006 0.000 1.055 128 V CA 2.102 64.395 62.300 -0.011 0.000 1.049 128 V CB -0.696 31.114 31.823 -0.022 0.000 0.662 128 V HN 0.498 nan 8.190 nan 0.000 0.455 129 E N -0.067 120.130 120.200 -0.005 0.000 2.047 129 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 129 E C 2.205 178.806 176.600 0.002 0.000 0.987 129 E CA 0.979 57.378 56.400 -0.002 0.000 0.799 129 E CB -0.328 29.371 29.700 -0.002 0.000 0.752 129 E HN 0.546 nan 8.360 nan 0.000 0.449 130 E N 0.469 120.671 120.200 0.004 0.000 2.209 130 E HA -0.132 4.218 4.350 -0.000 0.000 0.196 130 E C 1.766 178.371 176.600 0.010 0.000 0.993 130 E CA 0.280 56.685 56.400 0.008 0.000 0.819 130 E CB -0.160 29.545 29.700 0.009 0.000 0.745 130 E HN 0.048 nan 8.360 nan 0.000 0.477 131 L N 0.362 121.590 121.223 0.007 0.000 2.179 131 L HA -0.030 4.310 4.340 -0.000 0.000 0.208 131 L C 1.677 178.552 176.870 0.009 0.000 1.096 131 L CA 1.639 56.484 54.840 0.009 0.000 0.779 131 L CB -0.196 41.866 42.059 0.005 0.000 0.922 131 L HN -0.009 nan 8.230 nan 0.000 0.443 132 K N -1.096 119.308 120.400 0.006 0.000 2.155 132 K HA -0.019 4.301 4.320 -0.000 0.000 0.203 132 K C 2.072 178.677 176.600 0.009 0.000 1.052 132 K CA 1.064 57.355 56.287 0.007 0.000 0.948 132 K CB -0.216 32.287 32.500 0.004 0.000 0.728 132 K HN 0.333 nan 8.250 nan 0.000 0.448 133 A N 1.625 124.451 122.820 0.010 0.000 1.898 133 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 133 A C 2.008 179.600 177.584 0.015 0.000 1.181 133 A CA 0.944 52.987 52.037 0.011 0.000 0.620 133 A CB -0.473 18.534 19.000 0.011 0.000 0.819 133 A HN 0.208 nan 8.150 nan 0.000 0.442 134 L N 0.101 121.334 121.223 0.017 0.000 2.201 134 L HA 0.008 4.348 4.340 -0.000 0.000 0.212 134 L C 1.250 178.132 176.870 0.020 0.000 1.105 134 L CA 1.305 56.158 54.840 0.021 0.000 0.775 134 L CB -1.106 40.967 42.059 0.024 0.000 0.913 134 L HN 0.378 nan 8.230 nan 0.000 0.440 135 S N -0.391 115.318 115.700 0.016 0.000 2.552 135 S HA 0.121 4.590 4.470 -0.000 0.000 0.289 135 S C -0.158 174.451 174.600 0.015 0.000 1.304 135 S CA -0.336 57.873 58.200 0.015 0.000 1.063 135 S CB 0.537 63.744 63.200 0.013 0.000 0.848 135 S HN 0.089 nan 8.310 nan 0.000 0.499 136 V N 8.185 128.108 119.914 0.015 0.000 2.417 136 V HA 0.407 4.527 4.120 -0.000 0.000 0.291 136 V C -2.106 173.996 176.094 0.012 0.000 1.024 136 V CA -1.881 60.427 62.300 0.014 0.000 0.861 136 V CB 1.554 33.386 31.823 0.015 0.000 0.985 136 V HN 0.769 nan 8.190 nan 0.000 0.436 137 P HA 0.147 nan 4.420 nan 0.000 0.269 137 P C -0.717 176.589 177.300 0.010 0.000 1.215 137 P CA -0.189 62.917 63.100 0.010 0.000 0.780 137 P CB 0.450 32.155 31.700 0.010 0.000 0.898 138 C N 2.526 121.832 119.300 0.010 0.000 2.978 138 C HA 0.471 4.931 4.460 -0.000 0.000 0.274 138 C C 1.006 176.001 174.990 0.008 0.000 1.087 138 C CA 0.142 59.166 59.018 0.009 0.000 1.453 138 C CB -1.289 26.456 27.740 0.010 0.000 1.838 138 C HN 0.569 nan 8.230 nan 0.000 0.470 139 S N 1.669 117.373 115.700 0.008 0.000 2.979 139 S HA 0.132 4.601 4.470 -0.000 0.000 0.243 139 S C 0.293 174.897 174.600 0.006 0.000 1.036 139 S CA 0.107 58.311 58.200 0.007 0.000 0.846 139 S CB -0.230 62.974 63.200 0.007 0.000 0.806 139 S HN 0.941 nan 8.310 nan 0.000 0.568 140 D N 2.701 123.104 120.400 0.005 0.000 2.449 140 D HA 0.005 4.645 4.640 -0.000 0.000 0.236 140 D C 0.958 177.260 176.300 0.003 0.000 1.149 140 D CA 0.540 54.543 54.000 0.004 0.000 0.878 140 D CB 0.818 41.620 40.800 0.004 0.000 1.198 140 D HN 0.287 nan 8.370 nan 0.000 0.446 141 S N 1.351 117.052 115.700 0.002 0.000 2.500 141 S HA -0.229 4.240 4.470 -0.000 0.000 0.239 141 S C 1.561 176.161 174.600 0.001 0.000 0.989 141 S CA 0.845 59.046 58.200 0.001 0.000 0.951 141 S CB -0.279 62.921 63.200 0.000 0.000 0.759 141 S HN 0.664 nan 8.310 nan 0.000 0.523 142 K N 1.526 121.927 120.400 0.001 0.000 2.103 142 K HA 0.067 4.387 4.320 -0.000 0.000 0.204 142 K C 2.261 178.862 176.600 0.001 0.000 1.052 142 K CA 1.021 57.309 56.287 0.001 0.000 0.945 142 K CB -0.527 31.974 32.500 0.002 0.000 0.722 142 K HN 0.433 nan 8.250 nan 0.000 0.443 143 A N 1.504 124.326 122.820 0.003 0.000 1.897 143 A HA -0.061 4.259 4.320 -0.000 0.000 0.215 143 A C 2.050 179.635 177.584 0.003 0.000 1.181 143 A CA 1.086 53.125 52.037 0.003 0.000 0.620 143 A CB -0.509 18.494 19.000 0.005 0.000 0.821 143 A HN 0.315 nan 8.150 nan 0.000 0.443 144 I N -0.034 120.537 120.570 0.002 0.000 2.248 144 I HA -0.338 3.832 4.170 -0.000 0.000 0.248 144 I C 2.912 179.029 176.117 -0.001 0.000 1.107 144 I CA 1.169 62.470 61.300 0.002 0.000 1.373 144 I CB -0.360 37.641 38.000 0.001 0.000 1.055 144 I HN 0.389 nan 8.210 nan 0.000 0.418 145 A N 0.354 123.173 122.820 -0.002 0.000 1.873 145 A HA -0.216 4.104 4.320 -0.000 0.000 0.215 145 A C 2.260 179.842 177.584 -0.004 0.000 1.186 145 A CA 1.289 53.324 52.037 -0.004 0.000 0.616 145 A CB -0.552 18.446 19.000 -0.003 0.000 0.823 145 A HN 0.462 nan 8.150 nan 0.000 0.442 146 Q N -0.323 119.475 119.800 -0.002 0.000 2.096 146 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 146 Q C 2.147 178.146 176.000 -0.002 0.000 0.982 146 Q CA 1.728 57.529 55.803 -0.002 0.000 0.850 146 Q CB -0.481 28.257 28.738 -0.000 0.000 0.901 146 Q HN 0.477 nan 8.270 nan 0.000 0.422 147 V N 0.791 120.705 119.914 -0.000 0.000 2.261 147 V HA -0.210 3.909 4.120 -0.000 0.000 0.246 147 V C 2.316 178.409 176.094 -0.001 0.000 1.047 147 V CA 2.058 64.358 62.300 0.001 0.000 1.015 147 V CB -1.282 30.544 31.823 0.005 0.000 0.642 147 V HN 0.561 nan 8.190 nan 0.000 0.446 148 G N -0.553 108.245 108.800 -0.003 0.000 2.442 148 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.219 148 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.219 148 G C 1.675 176.569 174.900 -0.009 0.000 1.141 148 G CA 1.625 46.720 45.100 -0.008 0.000 0.763 148 G HN 0.487 nan 8.290 nan 0.000 0.554 149 T N 1.210 115.759 114.554 -0.008 0.000 2.777 149 T HA -0.001 4.349 4.350 -0.000 0.000 0.266 149 T C 2.379 177.073 174.700 -0.009 0.000 1.040 149 T CA 0.849 62.944 62.100 -0.009 0.000 1.141 149 T CB -0.107 68.757 68.868 -0.008 0.000 0.868 149 T HN 0.269 nan 8.240 nan 0.000 0.444 150 I N 1.251 121.817 120.570 -0.007 0.000 2.315 150 I HA -0.133 4.037 4.170 -0.000 0.000 0.248 150 I C 2.534 178.647 176.117 -0.007 0.000 1.117 150 I CA 0.921 62.216 61.300 -0.008 0.000 1.404 150 I CB -0.323 37.673 38.000 -0.007 0.000 1.071 150 I HN 0.188 nan 8.210 nan 0.000 0.419 151 S N 0.963 116.660 115.700 -0.005 0.000 2.406 151 S HA -0.013 4.457 4.470 -0.000 0.000 0.228 151 S C 1.949 176.546 174.600 -0.006 0.000 1.020 151 S CA 1.019 59.218 58.200 -0.002 0.000 0.965 151 S CB -0.195 63.006 63.200 0.002 0.000 0.798 151 S HN 0.506 nan 8.310 nan 0.000 0.488 152 A N 1.238 124.053 122.820 -0.010 0.000 2.276 152 A HA 0.286 4.606 4.320 -0.000 0.000 0.212 152 A C 0.790 178.368 177.584 -0.011 0.000 1.230 152 A CA 0.226 52.256 52.037 -0.012 0.000 0.844 152 A CB -0.744 18.248 19.000 -0.015 0.000 0.860 152 A HN 0.496 nan 8.150 nan 0.000 0.486 153 N N -1.415 117.279 118.700 -0.010 0.000 2.816 153 N HA -0.207 4.533 4.740 -0.000 0.000 0.247 153 N C 0.169 175.672 175.510 -0.012 0.000 1.100 153 N CA 1.065 54.108 53.050 -0.011 0.000 0.687 153 N CB -1.845 36.636 38.487 -0.010 0.000 1.003 153 N HN 0.430 nan 8.380 nan 0.000 0.554 154 S N -1.585 114.108 115.700 -0.012 0.000 3.450 154 S HA -0.210 4.260 4.470 -0.000 0.000 0.288 154 S C -0.475 174.119 174.600 -0.010 0.000 1.256 154 S CA 0.741 58.934 58.200 -0.011 0.000 0.910 154 S CB -1.067 62.126 63.200 -0.012 0.000 1.090 154 S HN 0.716 nan 8.310 nan 0.000 0.630 155 D N 1.349 121.743 120.400 -0.011 0.000 2.441 155 D HA 0.276 4.916 4.640 -0.000 0.000 0.221 155 D C 1.066 177.360 176.300 -0.010 0.000 1.156 155 D CA -0.248 53.746 54.000 -0.010 0.000 0.896 155 D CB 0.549 41.342 40.800 -0.011 0.000 1.028 155 D HN 0.472 nan 8.370 nan 0.000 0.509 156 E N 1.120 121.315 120.200 -0.009 0.000 2.209 156 E HA -0.153 4.197 4.350 -0.000 0.000 0.196 156 E C 1.512 178.107 176.600 -0.009 0.000 0.993 156 E CA 1.173 57.568 56.400 -0.008 0.000 0.819 156 E CB 0.271 29.967 29.700 -0.007 0.000 0.745 156 E HN 0.473 nan 8.360 nan 0.000 0.477 157 T N 0.671 115.220 114.554 -0.009 0.000 2.684 157 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 157 T C 2.105 176.798 174.700 -0.012 0.000 1.036 157 T CA 1.382 63.476 62.100 -0.010 0.000 1.148 157 T CB -0.276 68.585 68.868 -0.010 0.000 0.863 157 T HN 0.011 nan 8.240 nan 0.000 0.436 158 V N 1.491 121.397 119.914 -0.014 0.000 2.343 158 V HA -0.101 4.019 4.120 -0.000 0.000 0.247 158 V C 2.897 178.981 176.094 -0.017 0.000 1.051 158 V CA 1.900 64.189 62.300 -0.018 0.000 1.036 158 V CB -1.505 30.306 31.823 -0.020 0.000 0.654 158 V HN 0.602 nan 8.190 nan 0.000 0.451 159 G N -0.240 108.552 108.800 -0.014 0.000 2.446 159 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.217 159 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.217 159 G C 1.632 176.526 174.900 -0.011 0.000 1.168 159 G CA 1.222 46.315 45.100 -0.011 0.000 0.771 159 G HN 0.500 nan 8.290 nan 0.000 0.551 160 K N -0.030 120.364 120.400 -0.010 0.000 1.991 160 K HA -0.013 4.307 4.320 -0.000 0.000 0.212 160 K C 2.574 179.167 176.600 -0.010 0.000 1.049 160 K CA 1.146 57.428 56.287 -0.009 0.000 0.932 160 K CB -0.401 32.094 32.500 -0.008 0.000 0.717 160 K HN 0.307 nan 8.250 nan 0.000 0.441 161 L N 1.050 122.265 121.223 -0.013 0.000 1.991 161 L HA -0.290 4.049 4.340 -0.000 0.000 0.221 161 L C 2.515 179.375 176.870 -0.016 0.000 1.079 161 L CA 1.747 56.579 54.840 -0.015 0.000 0.778 161 L CB -0.400 41.648 42.059 -0.018 0.000 0.893 161 L HN 0.335 nan 8.230 nan 0.000 0.437 162 I N -0.884 119.675 120.570 -0.019 0.000 2.226 162 I HA -0.316 3.853 4.170 -0.000 0.000 0.245 162 I C 2.738 178.847 176.117 -0.013 0.000 1.100 162 I CA 1.184 62.472 61.300 -0.020 0.000 1.374 162 I CB -0.533 37.453 38.000 -0.023 0.000 1.057 162 I HN 0.277 nan 8.210 nan 0.000 0.413 163 A N 0.709 123.523 122.820 -0.010 0.000 1.877 163 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 163 A C 2.209 179.789 177.584 -0.006 0.000 1.186 163 A CA 1.817 53.850 52.037 -0.006 0.000 0.620 163 A CB -0.621 18.376 19.000 -0.005 0.000 0.822 163 A HN 0.476 nan 8.150 nan 0.000 0.443 164 E N -0.182 120.014 120.200 -0.007 0.000 2.051 164 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 164 E C 2.329 178.926 176.600 -0.006 0.000 0.991 164 E CA 0.960 57.356 56.400 -0.006 0.000 0.799 164 E CB -0.337 29.358 29.700 -0.007 0.000 0.748 164 E HN 0.613 nan 8.360 nan 0.000 0.449 165 A N 1.360 124.175 122.820 -0.009 0.000 1.902 165 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 165 A C 2.182 179.763 177.584 -0.006 0.000 1.181 165 A CA 1.377 53.408 52.037 -0.009 0.000 0.623 165 A CB -0.445 18.547 19.000 -0.013 0.000 0.818 165 A HN 0.141 nan 8.150 nan 0.000 0.443 166 M N -1.078 118.519 119.600 -0.005 0.000 2.296 166 M HA -0.129 4.351 4.480 -0.000 0.000 0.265 166 M C 1.782 178.082 176.300 -0.000 0.000 1.064 166 M CA 1.756 57.055 55.300 -0.002 0.000 1.109 166 M CB -0.441 32.158 32.600 -0.001 0.000 1.396 166 M HN 0.504 nan 8.290 nan 0.000 0.430 167 D N 0.571 120.970 120.400 -0.001 0.000 2.144 167 D HA -0.131 4.509 4.640 -0.000 0.000 0.200 167 D C 2.028 178.328 176.300 -0.000 0.000 0.978 167 D CA 1.132 55.132 54.000 -0.001 0.000 0.833 167 D CB 0.253 41.052 40.800 -0.001 0.000 0.961 167 D HN -0.015 nan 8.370 nan 0.000 0.470 168 K N -0.067 120.333 120.400 -0.001 0.000 2.001 168 K HA -0.054 4.266 4.320 -0.000 0.000 0.208 168 K C 2.067 178.667 176.600 0.000 0.000 1.048 168 K CA 1.412 57.699 56.287 -0.001 0.000 0.932 168 K CB -0.406 32.093 32.500 -0.002 0.000 0.715 168 K HN 0.307 nan 8.250 nan 0.000 0.437 169 V N -3.154 116.760 119.914 0.001 0.000 3.660 169 V HA 0.347 4.467 4.120 -0.000 0.000 0.276 169 V C 0.740 176.837 176.094 0.004 0.000 1.317 169 V CA 0.374 62.675 62.300 0.003 0.000 1.097 169 V CB -0.323 31.502 31.823 0.004 0.000 0.863 169 V HN 0.377 nan 8.190 nan 0.000 0.438 170 G N 1.022 109.824 108.800 0.004 0.000 2.712 170 G HA2 -0.146 3.813 3.960 -0.000 0.000 0.683 170 G HA3 -0.146 3.813 3.960 -0.000 0.000 0.683 170 G C 0.126 175.029 174.900 0.006 0.000 1.320 170 G CA -0.059 45.044 45.100 0.005 0.000 0.847 170 G HN 0.158 nan 8.290 nan 0.000 0.553 171 K N 0.218 120.622 120.400 0.007 0.000 2.103 171 K HA -0.072 4.247 4.320 -0.000 0.000 0.207 171 K C 1.969 178.576 176.600 0.012 0.000 1.048 171 K CA 1.952 58.244 56.287 0.009 0.000 0.930 171 K CB -0.136 32.370 32.500 0.010 0.000 0.716 171 K HN 0.640 nan 8.250 nan 0.000 0.444 172 E N 0.487 120.694 120.200 0.012 0.000 2.489 172 E HA 0.055 4.405 4.350 -0.000 0.000 0.193 172 E C 1.011 177.619 176.600 0.014 0.000 1.057 172 E CA -0.009 56.399 56.400 0.014 0.000 0.866 172 E CB -0.118 29.590 29.700 0.014 0.000 0.916 172 E HN 0.219 nan 8.360 nan 0.000 0.500 173 G N 0.909 109.716 108.800 0.012 0.000 2.667 173 G HA2 0.227 4.187 3.960 -0.000 0.000 0.250 173 G HA3 0.227 4.187 3.960 -0.000 0.000 0.250 173 G C -0.013 174.895 174.900 0.013 0.000 1.212 173 G CA -0.458 44.649 45.100 0.011 0.000 0.874 173 G HN -0.008 nan 8.290 nan 0.000 0.561 174 V N 1.374 121.296 119.914 0.012 0.000 2.383 174 V HA 0.339 4.459 4.120 -0.000 0.000 0.275 174 V C 0.227 176.325 176.094 0.007 0.000 1.036 174 V CA -0.196 62.111 62.300 0.013 0.000 0.889 174 V CB 0.788 32.620 31.823 0.016 0.000 0.985 174 V HN 0.453 nan 8.190 nan 0.000 0.459 175 I N 4.178 124.750 120.570 0.003 0.000 2.433 175 I HA 0.516 4.686 4.170 -0.000 0.000 0.292 175 I C 0.201 176.311 176.117 -0.012 0.000 1.001 175 I CA -0.102 61.194 61.300 -0.007 0.000 1.119 175 I CB 2.209 40.201 38.000 -0.014 0.000 1.289 175 I HN 0.509 nan 8.210 nan 0.000 0.438 176 T N 4.851 119.396 114.554 -0.014 0.000 2.932 176 T HA 0.659 5.009 4.350 -0.000 0.000 0.289 176 T C -0.640 174.045 174.700 -0.025 0.000 1.039 176 T CA -0.527 61.563 62.100 -0.016 0.000 1.024 176 T CB 2.475 71.338 68.868 -0.008 0.000 1.090 176 T HN 0.212 nan 8.240 nan 0.000 0.496 177 V N 2.156 122.053 119.914 -0.028 0.000 2.638 177 V HA 0.561 4.681 4.120 -0.000 0.000 0.306 177 V C -0.569 175.512 176.094 -0.020 0.000 1.052 177 V CA -0.789 61.492 62.300 -0.031 0.000 0.885 177 V CB 1.907 33.701 31.823 -0.048 0.000 0.999 177 V HN 0.911 nan 8.190 nan 0.000 0.424 178 E N 1.654 121.843 120.200 -0.018 0.000 2.433 178 E HA 0.425 4.775 4.350 -0.000 0.000 0.273 178 E C -1.558 175.034 176.600 -0.013 0.000 0.950 178 E CA -1.102 55.290 56.400 -0.013 0.000 0.796 178 E CB 1.799 31.492 29.700 -0.012 0.000 1.330 178 E HN 0.597 nan 8.360 nan 0.000 0.455 179 D N 0.812 121.205 120.400 -0.011 0.000 2.423 179 D HA 0.144 4.784 4.640 -0.000 0.000 0.238 179 D C 0.082 176.375 176.300 -0.010 0.000 1.142 179 D CA 0.429 54.423 54.000 -0.010 0.000 0.884 179 D CB 0.913 41.708 40.800 -0.008 0.000 1.199 179 D HN 0.479 nan 8.370 nan 0.000 0.438 180 G N -0.554 108.240 108.800 -0.010 0.000 2.476 180 G HA2 0.269 4.229 3.960 -0.000 0.000 0.286 180 G HA3 0.269 4.229 3.960 -0.000 0.000 0.286 180 G C 1.112 176.007 174.900 -0.009 0.000 1.177 180 G CA -0.337 44.757 45.100 -0.010 0.000 0.870 180 G HN 0.436 nan 8.290 nan 0.000 0.528 181 T N -1.817 112.732 114.554 -0.008 0.000 3.023 181 T HA 0.401 4.751 4.350 -0.000 0.000 0.266 181 T C 1.204 175.900 174.700 -0.007 0.000 1.093 181 T CA 1.055 63.150 62.100 -0.008 0.000 1.129 181 T CB 0.023 68.886 68.868 -0.007 0.000 0.899 181 T HN 1.374 nan 8.240 nan 0.000 0.491 182 G N 0.464 109.260 108.800 -0.007 0.000 2.393 182 G HA2 0.409 4.369 3.960 -0.000 0.000 0.264 182 G HA3 0.409 4.369 3.960 -0.000 0.000 0.264 182 G C -1.779 173.117 174.900 -0.006 0.000 1.221 182 G CA -0.561 44.535 45.100 -0.006 0.000 0.912 182 G HN 0.308 nan 8.290 nan 0.000 0.483 183 L N 0.876 122.095 121.223 -0.006 0.000 2.397 183 L HA 0.598 4.938 4.340 -0.000 0.000 0.271 183 L C -0.211 176.655 176.870 -0.006 0.000 1.148 183 L CA 0.674 55.511 54.840 -0.006 0.000 0.825 183 L CB 0.284 42.340 42.059 -0.005 0.000 1.117 183 L HN 0.902 nan 8.230 nan 0.000 0.456 184 Q N 2.936 122.732 119.800 -0.007 0.000 2.710 184 Q HA -0.088 4.252 4.340 -0.000 0.000 0.178 184 Q C -1.173 174.822 176.000 -0.008 0.000 1.358 184 Q CA 0.086 55.885 55.803 -0.007 0.000 0.379 184 Q CB -0.118 28.616 28.738 -0.006 0.000 0.558 184 Q HN 0.719 nan 8.270 nan 0.000 0.321 185 D N 2.536 122.931 120.400 -0.009 0.000 2.369 185 D HA 0.233 4.872 4.640 -0.000 0.000 0.241 185 D C 0.048 176.342 176.300 -0.009 0.000 1.271 185 D CA 0.363 54.357 54.000 -0.010 0.000 0.942 185 D CB 0.638 41.432 40.800 -0.011 0.000 1.129 185 D HN 0.365 nan 8.370 nan 0.000 0.476 186 E N -0.540 119.654 120.200 -0.010 0.000 2.321 186 E HA 0.461 4.811 4.350 -0.000 0.000 0.278 186 E C -1.364 175.230 176.600 -0.010 0.000 0.902 186 E CA -0.727 55.668 56.400 -0.009 0.000 0.758 186 E CB 2.394 32.088 29.700 -0.009 0.000 1.213 186 E HN 0.087 nan 8.360 nan 0.000 0.426 187 L N 3.246 124.464 121.223 -0.009 0.000 2.408 187 L HA 0.614 4.954 4.340 -0.000 0.000 0.268 187 L C -2.103 174.762 176.870 -0.007 0.000 0.986 187 L CA -0.250 54.585 54.840 -0.009 0.000 0.820 187 L CB 1.747 43.800 42.059 -0.009 0.000 1.303 187 L HN 0.581 nan 8.230 nan 0.000 0.411 188 D N 3.671 124.067 120.400 -0.007 0.000 2.746 188 D HA 0.195 4.835 4.640 -0.000 0.000 0.211 188 D C -1.257 175.041 176.300 -0.004 0.000 1.242 188 D CA -0.413 53.583 54.000 -0.005 0.000 0.790 188 D CB 1.275 42.072 40.800 -0.005 0.000 1.744 188 D HN 0.303 nan 8.370 nan 0.000 0.520 189 V N 1.074 120.986 119.914 -0.003 0.000 2.455 189 V HA 0.452 4.571 4.120 -0.000 0.000 0.273 189 V C 1.094 177.187 176.094 -0.001 0.000 1.045 189 V CA -0.443 61.856 62.300 -0.001 0.000 0.976 189 V CB 0.707 32.530 31.823 -0.000 0.000 0.993 189 V HN 0.589 nan 8.190 nan 0.000 0.475 190 V N 2.080 121.994 119.914 0.000 0.000 3.182 190 V HA 0.692 4.812 4.120 -0.000 0.000 0.311 190 V C -0.154 175.942 176.094 0.004 0.000 1.221 190 V CA -1.067 61.233 62.300 0.001 0.000 1.060 190 V CB 1.979 33.801 31.823 -0.001 0.000 1.164 190 V HN 0.625 nan 8.190 nan 0.000 0.466 191 E N 1.372 121.574 120.200 0.003 0.000 2.265 191 E HA 0.608 4.958 4.350 -0.000 0.000 0.272 191 E C 0.154 176.760 176.600 0.011 0.000 1.067 191 E CA 0.899 57.303 56.400 0.007 0.000 0.900 191 E CB 0.549 30.252 29.700 0.005 0.000 1.017 191 E HN 1.183 nan 8.360 nan 0.000 0.431 192 G N 1.619 110.429 108.800 0.017 0.000 2.506 192 G HA2 0.545 4.505 3.960 -0.000 0.000 0.292 192 G HA3 0.545 4.505 3.960 -0.000 0.000 0.292 192 G C -1.254 173.670 174.900 0.040 0.000 1.425 192 G CA -0.662 44.454 45.100 0.028 0.000 0.788 192 G HN 0.380 nan 8.290 nan 0.000 0.490 193 M N -0.276 119.361 119.600 0.062 0.000 2.682 193 M HA 0.669 5.148 4.480 -0.000 0.000 0.272 193 M C -2.233 174.139 176.300 0.121 0.000 1.232 193 M CA -0.727 54.626 55.300 0.088 0.000 0.849 193 M CB 2.544 35.203 32.600 0.098 0.000 1.695 193 M HN 0.720 nan 8.290 nan 0.000 0.481 194 Q N 2.800 122.684 119.800 0.139 0.000 2.268 194 Q HA 0.548 4.888 4.340 -0.000 0.000 0.266 194 Q C -2.221 173.894 176.000 0.191 0.000 1.006 194 Q CA -0.646 55.223 55.803 0.109 0.000 0.824 194 Q CB 1.875 30.625 28.738 0.020 0.000 1.306 194 Q HN 0.578 nan 8.270 nan 0.000 0.424 195 F N 0.164 120.116 119.950 0.004 0.000 2.575 195 F HA 0.576 5.103 4.527 -0.000 0.000 0.330 195 F C -0.381 175.420 175.800 0.002 0.000 1.056 195 F CA -1.323 56.680 58.000 0.005 0.000 0.964 195 F CB 0.926 39.930 39.000 0.007 0.000 1.258 195 F HN 0.298 nan 8.300 nan 0.000 0.484 196 D N 2.996 123.468 120.400 0.120 0.000 2.558 196 D HA 0.208 4.848 4.640 -0.000 0.000 0.221 196 D C -0.299 176.011 176.300 0.017 0.000 1.143 196 D CA 0.123 54.130 54.000 0.012 0.000 1.010 196 D CB 0.073 40.900 40.800 0.046 0.000 1.068 196 D HN 0.289 nan 8.370 nan 0.000 0.511 197 R N 0.612 121.041 120.500 -0.117 0.000 2.522 197 R HA 0.462 4.802 4.340 -0.000 0.000 0.283 197 R C 0.177 176.366 176.300 -0.184 0.000 1.074 197 R CA -0.687 55.376 56.100 -0.062 0.000 0.925 197 R CB 2.079 32.464 30.300 0.142 0.000 1.205 197 R HN 0.278 nan 8.270 nan 0.000 0.436 198 G N 1.107 109.802 108.800 -0.176 0.000 2.557 198 G HA2 0.421 4.381 3.960 -0.000 0.000 0.302 198 G HA3 0.421 4.381 3.960 -0.000 0.000 0.302 198 G C -0.623 174.172 174.900 -0.175 0.000 1.311 198 G CA -0.563 44.361 45.100 -0.294 0.000 1.030 198 G HN 0.454 nan 8.290 nan 0.000 0.509 199 Y N -1.021 119.302 120.300 0.039 0.000 2.712 199 Y HA 0.247 4.797 4.550 -0.000 0.000 0.333 199 Y C 1.118 177.122 175.900 0.174 0.000 1.225 199 Y CA -1.004 57.170 58.100 0.124 0.000 1.499 199 Y CB 0.293 38.877 38.460 0.207 0.000 1.288 199 Y HN 0.173 nan 8.280 nan 0.000 0.575 200 L N 2.893 124.368 121.223 0.420 0.000 2.711 200 L HA 0.063 4.403 4.340 -0.000 0.000 0.242 200 L C 0.509 177.617 176.870 0.397 0.000 1.153 200 L CA 0.862 55.908 54.840 0.343 0.000 0.898 200 L CB -0.640 41.591 42.059 0.287 0.000 1.044 200 L HN 0.863 nan 8.230 nan 0.000 0.437 201 S N -2.269 113.748 115.700 0.529 0.000 2.754 201 S HA 0.225 4.695 4.470 -0.000 0.000 0.302 201 S C -2.680 171.945 174.600 0.041 0.000 0.922 201 S CA -1.010 57.348 58.200 0.263 0.000 0.822 201 S CB 0.991 64.210 63.200 0.033 0.000 1.020 201 S HN -0.213 nan 8.310 nan 0.000 0.475 202 P HA 0.368 nan 4.420 nan 0.000 0.330 202 P C 0.267 177.279 177.300 -0.480 0.000 1.377 202 P CA 0.628 63.304 63.100 -0.707 0.000 0.793 202 P CB -0.017 31.302 31.700 -0.635 0.000 1.813 203 Y N -4.832 115.257 120.300 -0.351 0.000 2.902 203 Y HA -0.294 4.256 4.550 0.000 0.000 0.486 203 Y C 1.820 177.600 175.900 -0.200 0.000 1.163 203 Y CA 1.519 59.446 58.100 -0.289 0.000 2.765 203 Y CB -2.981 35.251 38.460 -0.380 0.000 0.870 203 Y HN 0.107 nan 8.280 nan 0.000 0.536 204 F N 0.648 120.580 119.950 -0.030 0.000 2.494 204 F HA 0.001 4.528 4.527 -0.000 0.000 0.298 204 F C 1.377 177.125 175.800 -0.087 0.000 1.106 204 F CA 0.395 58.375 58.000 -0.033 0.000 1.452 204 F CB -0.520 38.472 39.000 -0.013 0.000 1.085 204 F HN -0.019 nan 8.300 nan 0.000 0.569 205 I N 1.987 122.536 120.570 -0.036 0.000 2.598 205 I HA -0.084 4.086 4.170 -0.000 0.000 0.284 205 I C 0.659 176.767 176.117 -0.015 0.000 1.140 205 I CA 0.233 61.485 61.300 -0.080 0.000 1.420 205 I CB 0.384 38.256 38.000 -0.214 0.000 1.387 205 I HN 0.135 nan 8.210 nan 0.000 0.553 206 N N 4.472 123.179 118.700 0.013 0.000 2.171 206 N HA 0.050 4.790 4.740 -0.000 0.000 0.212 206 N C -0.017 175.500 175.510 0.012 0.000 1.184 206 N CA -0.113 52.949 53.050 0.020 0.000 0.888 206 N CB 0.470 38.979 38.487 0.036 0.000 1.038 206 N HN 0.271 nan 8.380 nan 0.000 0.517 207 K N 1.601 122.006 120.400 0.008 0.000 2.800 207 K HA 0.289 4.609 4.320 -0.000 0.000 0.185 207 K C -1.970 174.631 176.600 0.001 0.000 1.082 207 K CA -1.754 54.539 56.287 0.010 0.000 0.978 207 K CB 1.806 34.319 32.500 0.022 0.000 1.364 207 K HN 0.060 nan 8.250 nan 0.000 0.592 208 P HA -0.213 nan 4.420 nan 0.000 0.218 208 P C 0.398 177.689 177.300 -0.014 0.000 1.146 208 P CA 1.450 64.534 63.100 -0.026 0.000 0.813 208 P CB 0.521 32.203 31.700 -0.030 0.000 0.778 209 E N -0.138 120.062 120.200 -0.001 0.000 2.072 209 E HA -0.097 4.252 4.350 -0.000 0.000 0.191 209 E C 1.886 178.495 176.600 0.015 0.000 0.985 209 E CA 1.667 58.070 56.400 0.006 0.000 0.801 209 E CB -1.559 28.148 29.700 0.011 0.000 0.750 209 E HN 0.284 nan 8.360 nan 0.000 0.452 210 T N -0.961 113.608 114.554 0.025 0.000 3.065 210 T HA 0.226 4.576 4.350 -0.000 0.000 0.252 210 T C 1.399 176.118 174.700 0.032 0.000 1.099 210 T CA 0.400 62.526 62.100 0.042 0.000 1.063 210 T CB 0.152 69.057 68.868 0.061 0.000 0.948 210 T HN 0.404 nan 8.240 nan 0.000 0.506 211 G N 1.611 110.422 108.800 0.019 0.000 2.225 211 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.267 211 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.267 211 G C 0.132 175.083 174.900 0.085 0.000 1.024 211 G CA 0.166 45.279 45.100 0.022 0.000 0.784 211 G HN 0.941 nan 8.290 nan 0.000 0.507 212 A N -1.569 121.295 122.820 0.073 0.000 2.387 212 A HA 0.943 5.263 4.320 -0.000 0.000 0.298 212 A C -0.140 177.491 177.584 0.078 0.000 1.165 212 A CA -0.201 51.908 52.037 0.120 0.000 0.814 212 A CB 1.871 20.928 19.000 0.094 0.000 1.357 212 A HN 1.153 nan 8.150 nan 0.000 0.443 213 V N 0.649 120.627 119.914 0.106 0.000 2.483 213 V HA 0.553 4.673 4.120 -0.000 0.000 0.295 213 V C -0.112 176.012 176.094 0.050 0.000 1.035 213 V CA -0.373 61.973 62.300 0.075 0.000 0.896 213 V CB 1.390 33.272 31.823 0.098 0.000 0.986 213 V HN 0.901 nan 8.190 nan 0.000 0.447 214 E N 4.243 124.464 120.200 0.035 0.000 2.255 214 E HA 0.556 4.905 4.350 -0.000 0.000 0.256 214 E C -1.780 174.829 176.600 0.014 0.000 0.887 214 E CA -0.504 55.909 56.400 0.022 0.000 0.782 214 E CB 1.370 31.082 29.700 0.020 0.000 1.214 214 E HN 0.632 nan 8.360 nan 0.000 0.417 215 L N 3.625 124.851 121.223 0.005 0.000 2.341 215 L HA 0.510 4.850 4.340 -0.000 0.000 0.278 215 L C -0.200 176.661 176.870 -0.015 0.000 1.005 215 L CA -0.834 54.004 54.840 -0.002 0.000 0.818 215 L CB 1.849 43.905 42.059 -0.005 0.000 1.259 215 L HN 0.462 nan 8.230 nan 0.000 0.418 216 E N 1.590 121.777 120.200 -0.022 0.000 2.151 216 E HA 0.297 4.647 4.350 -0.000 0.000 0.275 216 E C -0.244 176.317 176.600 -0.065 0.000 0.936 216 E CA -0.565 55.814 56.400 -0.036 0.000 0.777 216 E CB 1.644 31.329 29.700 -0.026 0.000 1.108 216 E HN 0.618 nan 8.360 nan 0.000 0.401 217 S N 1.631 117.279 115.700 -0.087 0.000 3.614 217 S HA -0.123 4.347 4.470 -0.000 0.000 0.360 217 S C -2.060 172.399 174.600 -0.234 0.000 1.023 217 S CA 0.445 58.554 58.200 -0.151 0.000 1.114 217 S CB -1.360 61.754 63.200 -0.142 0.000 0.907 217 S HN 0.517 nan 8.310 nan 0.000 0.470 218 P HA 0.506 nan 4.420 nan 0.000 0.278 218 P C -0.201 176.967 177.300 -0.219 0.000 1.258 218 P CA -0.573 62.434 63.100 -0.154 0.000 0.811 218 P CB 0.522 32.197 31.700 -0.041 0.000 1.063 219 F N 0.068 120.020 119.950 0.002 0.000 2.399 219 F HA 0.431 4.958 4.527 -0.000 0.000 0.334 219 F C 0.813 176.614 175.800 0.002 0.000 1.097 219 F CA -0.432 57.569 58.000 0.003 0.000 1.076 219 F CB 0.838 39.839 39.000 0.001 0.000 1.162 219 F HN 0.030 nan 8.300 nan 0.000 0.495 220 I N 4.544 125.236 120.570 0.204 0.000 2.362 220 I HA 0.260 4.430 4.170 -0.000 0.000 0.289 220 I C -1.095 175.078 176.117 0.093 0.000 0.994 220 I CA -0.963 60.406 61.300 0.116 0.000 1.158 220 I CB 1.701 39.751 38.000 0.083 0.000 1.315 220 I HN 0.283 nan 8.210 nan 0.000 0.451 221 L N 8.349 129.610 121.223 0.064 0.000 2.264 221 L HA 0.460 4.800 4.340 -0.000 0.000 0.289 221 L C -0.881 176.004 176.870 0.025 0.000 1.044 221 L CA 0.016 54.878 54.840 0.036 0.000 0.807 221 L CB 0.704 42.777 42.059 0.023 0.000 1.192 221 L HN 0.451 nan 8.230 nan 0.000 0.425 222 L N 6.546 127.778 121.223 0.014 0.000 2.283 222 L HA 0.688 5.028 4.340 -0.000 0.000 0.281 222 L C -0.061 176.806 176.870 -0.004 0.000 1.033 222 L CA -0.443 54.397 54.840 -0.001 0.000 0.848 222 L CB 0.984 43.037 42.059 -0.011 0.000 1.226 222 L HN 0.796 nan 8.230 nan 0.000 0.429 223 A N 1.848 124.667 122.820 -0.001 0.000 2.311 223 A HA 0.387 4.707 4.320 -0.000 0.000 0.306 223 A C -0.596 176.988 177.584 -0.000 0.000 1.189 223 A CA -0.547 51.490 52.037 0.000 0.000 0.791 223 A CB 0.945 19.949 19.000 0.007 0.000 1.172 223 A HN 0.665 nan 8.150 nan 0.000 0.481 224 D N 2.600 122.998 120.400 -0.004 0.000 2.517 224 D HA 0.458 5.098 4.640 -0.000 0.000 0.220 224 D C -0.246 176.057 176.300 0.005 0.000 1.158 224 D CA 0.211 54.209 54.000 -0.003 0.000 0.992 224 D CB -0.491 40.303 40.800 -0.010 0.000 1.058 224 D HN 0.621 nan 8.370 nan 0.000 0.516 225 K N 0.053 120.460 120.400 0.013 0.000 3.035 225 K HA 0.126 4.446 4.320 -0.000 0.000 0.330 225 K C -1.537 175.077 176.600 0.024 0.000 1.164 225 K CA -0.909 55.388 56.287 0.018 0.000 0.919 225 K CB -0.043 32.465 32.500 0.013 0.000 1.368 225 K HN -0.063 nan 8.250 nan 0.000 0.385 226 K N 1.846 122.262 120.400 0.028 0.000 2.368 226 K HA 0.332 4.651 4.320 -0.000 0.000 0.282 226 K C -0.326 176.292 176.600 0.030 0.000 1.035 226 K CA -0.187 56.120 56.287 0.033 0.000 0.973 226 K CB 0.390 32.910 32.500 0.034 0.000 0.957 226 K HN 0.436 nan 8.250 nan 0.000 0.474 227 I N 2.325 122.916 120.570 0.035 0.000 2.330 227 I HA 0.055 4.225 4.170 -0.000 0.000 0.289 227 I C 0.478 176.617 176.117 0.038 0.000 1.001 227 I CA -0.026 61.294 61.300 0.034 0.000 1.193 227 I CB 1.707 39.728 38.000 0.036 0.000 1.345 227 I HN 0.652 nan 8.210 nan 0.000 0.461 228 S N 3.752 119.470 115.700 0.031 0.000 2.554 228 S HA 0.237 4.707 4.470 -0.000 0.000 0.227 228 S C 0.353 174.969 174.600 0.027 0.000 1.050 228 S CA -0.165 58.053 58.200 0.031 0.000 0.927 228 S CB 0.257 63.472 63.200 0.026 0.000 0.859 228 S HN 0.597 nan 8.310 nan 0.000 0.494 229 N N 1.299 120.013 118.700 0.023 0.000 2.399 229 N HA 0.355 5.095 4.740 -0.000 0.000 0.280 229 N C -0.638 174.884 175.510 0.020 0.000 1.008 229 N CA -0.250 52.811 53.050 0.019 0.000 0.894 229 N CB 1.975 40.470 38.487 0.014 0.000 1.273 229 N HN 0.088 nan 8.380 nan 0.000 0.486 230 I N 1.851 122.434 120.570 0.021 0.000 3.551 230 I HA -0.030 4.140 4.170 -0.000 0.000 0.307 230 I C 1.972 178.098 176.117 0.014 0.000 1.215 230 I CA 0.405 61.718 61.300 0.022 0.000 1.195 230 I CB -0.096 37.920 38.000 0.026 0.000 0.998 230 I HN 0.386 nan 8.210 nan 0.000 0.510 231 R N 0.437 120.944 120.500 0.011 0.000 2.100 231 R HA -0.068 4.272 4.340 -0.000 0.000 0.220 231 R C 1.705 178.008 176.300 0.005 0.000 1.091 231 R CA 1.026 57.130 56.100 0.007 0.000 0.986 231 R CB 0.119 30.422 30.300 0.006 0.000 0.888 231 R HN 0.470 nan 8.270 nan 0.000 0.444 232 E N -0.020 120.184 120.200 0.006 0.000 2.208 232 E HA -0.126 4.224 4.350 -0.000 0.000 0.193 232 E C 1.928 178.528 176.600 0.001 0.000 0.988 232 E CA 0.785 57.187 56.400 0.003 0.000 0.828 232 E CB 0.097 29.800 29.700 0.005 0.000 0.763 232 E HN 0.252 nan 8.360 nan 0.000 0.478 233 M N 0.531 120.134 119.600 0.005 0.000 2.132 233 M HA -0.099 4.381 4.480 -0.000 0.000 0.263 233 M C 2.355 178.654 176.300 -0.002 0.000 1.065 233 M CA 1.193 56.495 55.300 0.004 0.000 1.122 233 M CB -0.934 31.674 32.600 0.014 0.000 1.365 233 M HN 0.172 nan 8.290 nan 0.000 0.411 234 L N 0.427 121.650 121.223 -0.000 0.000 2.040 234 L HA -0.287 4.053 4.340 -0.000 0.000 0.228 234 L C -0.195 176.668 176.870 -0.012 0.000 1.092 234 L CA 2.210 57.048 54.840 -0.004 0.000 0.805 234 L CB -2.832 39.225 42.059 -0.002 0.000 0.905 234 L HN 0.206 nan 8.230 nan 0.000 0.443 235 P HA -0.136 nan 4.420 nan 0.000 0.216 235 P C 1.753 179.030 177.300 -0.037 0.000 1.150 235 P CA 1.636 64.722 63.100 -0.024 0.000 0.837 235 P CB 0.040 31.727 31.700 -0.021 0.000 0.786 236 V N -0.423 119.469 119.914 -0.038 0.000 2.878 236 V HA -0.059 4.061 4.120 -0.000 0.000 0.250 236 V C 2.707 178.768 176.094 -0.056 0.000 1.075 236 V CA 0.899 63.165 62.300 -0.057 0.000 1.096 236 V CB -0.865 30.929 31.823 -0.048 0.000 0.724 236 V HN 0.004 nan 8.190 nan 0.000 0.467 237 L N -0.279 120.927 121.223 -0.029 0.000 2.217 237 L HA -0.070 4.269 4.340 -0.000 0.000 0.211 237 L C 2.440 179.300 176.870 -0.017 0.000 1.107 237 L CA 1.300 56.132 54.840 -0.014 0.000 0.783 237 L CB -0.294 41.767 42.059 0.004 0.000 0.919 237 L HN 0.403 nan 8.230 nan 0.000 0.442 238 E N 0.053 120.238 120.200 -0.024 0.000 2.170 238 E HA -0.079 4.271 4.350 -0.000 0.000 0.191 238 E C 2.260 178.837 176.600 -0.038 0.000 0.981 238 E CA 0.823 57.210 56.400 -0.022 0.000 0.830 238 E CB -0.014 29.675 29.700 -0.019 0.000 0.775 238 E HN 0.431 nan 8.360 nan 0.000 0.470 239 A N 0.982 123.762 122.820 -0.067 0.000 2.067 239 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 239 A C 2.305 179.804 177.584 -0.142 0.000 1.158 239 A CA 0.856 52.828 52.037 -0.107 0.000 0.661 239 A CB -0.169 18.745 19.000 -0.143 0.000 0.801 239 A HN 0.097 nan 8.150 nan 0.000 0.452 240 V N -0.905 118.940 119.914 -0.115 0.000 3.052 240 V HA -0.015 4.105 4.120 -0.000 0.000 0.254 240 V C 2.790 178.901 176.094 0.028 0.000 1.100 240 V CA 1.202 63.461 62.300 -0.068 0.000 1.112 240 V CB -0.437 31.373 31.823 -0.023 0.000 0.738 240 V HN 0.558 nan 8.190 nan 0.000 0.469 241 A N -0.498 122.329 122.820 0.010 0.000 2.015 241 A HA -0.055 4.264 4.320 -0.000 0.000 0.219 241 A C 1.392 178.994 177.584 0.029 0.000 1.163 241 A CA 0.908 52.961 52.037 0.026 0.000 0.646 241 A CB -0.148 18.860 19.000 0.014 0.000 0.806 241 A HN 0.476 nan 8.150 nan 0.000 0.448 242 K N -1.837 118.572 120.400 0.016 0.000 2.118 242 K HA 0.458 4.778 4.320 -0.000 0.000 0.264 242 K C 0.832 177.467 176.600 0.057 0.000 1.000 242 K CA 0.355 56.655 56.287 0.022 0.000 0.929 242 K CB 0.735 33.235 32.500 0.000 0.000 1.021 242 K HN 0.616 nan 8.250 nan 0.000 0.463 243 A N 1.714 124.576 122.820 0.070 0.000 3.396 243 A HA -0.185 4.135 4.320 -0.000 0.000 0.267 243 A C 0.989 178.644 177.584 0.118 0.000 1.139 243 A CA 1.114 53.219 52.037 0.114 0.000 1.115 243 A CB -2.448 16.674 19.000 0.204 0.000 1.133 243 A HN 1.308 nan 8.150 nan 0.000 0.920 244 G N -0.603 108.253 108.800 0.093 0.000 2.396 244 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.288 244 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.288 244 G C -0.020 174.935 174.900 0.091 0.000 0.926 244 G CA 1.554 46.701 45.100 0.078 0.000 1.211 244 G HN 1.091 nan 8.290 nan 0.000 0.496 245 K N 0.545 121.036 120.400 0.151 0.000 2.281 245 K HA 0.546 4.866 4.320 -0.000 0.000 0.242 245 K C -2.148 174.537 176.600 0.142 0.000 0.971 245 K CA -2.062 54.300 56.287 0.124 0.000 0.834 245 K CB 2.582 35.146 32.500 0.107 0.000 1.181 245 K HN 0.084 nan 8.250 nan 0.000 0.435 246 P HA 0.154 nan 4.420 nan 0.000 0.274 246 P C -1.228 176.142 177.300 0.117 0.000 1.256 246 P CA -0.517 62.627 63.100 0.074 0.000 0.795 246 P CB 0.698 32.416 31.700 0.028 0.000 1.038 247 L N 1.518 122.791 121.223 0.084 0.000 2.438 247 L HA 0.515 4.855 4.340 -0.000 0.000 0.270 247 L C -1.518 175.365 176.870 0.021 0.000 0.972 247 L CA -0.947 53.949 54.840 0.092 0.000 0.831 247 L CB 1.597 43.709 42.059 0.088 0.000 1.273 247 L HN 0.163 nan 8.230 nan 0.000 0.405 248 L N 6.314 127.556 121.223 0.031 0.000 2.280 248 L HA 0.613 4.952 4.340 -0.000 0.000 0.287 248 L C -1.141 175.736 176.870 0.011 0.000 1.023 248 L CA -0.190 54.647 54.840 -0.006 0.000 0.819 248 L CB 0.999 43.070 42.059 0.020 0.000 1.212 248 L HN 0.451 nan 8.230 nan 0.000 0.420 249 I N 7.134 127.689 120.570 -0.024 0.000 2.312 249 I HA 0.251 4.421 4.170 -0.000 0.000 0.291 249 I C -0.010 176.124 176.117 0.029 0.000 1.031 249 I CA -0.074 61.227 61.300 0.002 0.000 1.293 249 I CB 0.844 38.838 38.000 -0.011 0.000 1.403 249 I HN 0.591 nan 8.210 nan 0.000 0.484 250 I N 6.223 126.821 120.570 0.046 0.000 2.503 250 I HA 0.440 4.610 4.170 -0.000 0.000 0.277 250 I C 0.451 176.587 176.117 0.031 0.000 1.078 250 I CA -0.158 61.180 61.300 0.063 0.000 1.184 250 I CB 0.879 38.913 38.000 0.058 0.000 1.353 250 I HN 0.631 nan 8.210 nan 0.000 0.490 251 A N 3.825 126.670 122.820 0.041 0.000 2.392 251 A HA 0.448 4.768 4.320 -0.000 0.000 0.283 251 A C 1.059 178.666 177.584 0.039 0.000 1.197 251 A CA -0.476 51.580 52.037 0.031 0.000 0.895 251 A CB 1.127 20.147 19.000 0.033 0.000 1.400 251 A HN 0.636 nan 8.150 nan 0.000 0.461 252 E N -0.918 119.303 120.200 0.035 0.000 2.110 252 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 252 E C -0.478 176.156 176.600 0.057 0.000 0.988 252 E CA 1.533 57.959 56.400 0.044 0.000 0.804 252 E CB 0.164 29.887 29.700 0.039 0.000 0.745 252 E HN 0.586 nan 8.360 nan 0.000 0.458 253 D N -2.102 118.332 120.400 0.056 0.000 2.783 253 D HA 0.113 4.752 4.640 -0.000 0.000 0.253 253 D C -1.925 174.414 176.300 0.064 0.000 1.206 253 D CA -0.462 53.577 54.000 0.065 0.000 0.740 253 D CB 1.736 42.572 40.800 0.060 0.000 1.313 253 D HN -0.142 nan 8.370 nan 0.000 0.427 254 V N 2.500 122.462 119.914 0.079 0.000 2.409 254 V HA 0.475 4.595 4.120 -0.000 0.000 0.290 254 V C -0.101 176.045 176.094 0.086 0.000 1.017 254 V CA -0.609 61.741 62.300 0.084 0.000 0.841 254 V CB 1.468 33.355 31.823 0.106 0.000 1.003 254 V HN 0.394 nan 8.190 nan 0.000 0.426 255 E N 2.455 122.695 120.200 0.066 0.000 2.232 255 E HA 0.636 4.986 4.350 -0.000 0.000 0.264 255 E C 1.215 177.844 176.600 0.048 0.000 0.973 255 E CA -0.179 56.255 56.400 0.056 0.000 0.849 255 E CB 1.751 31.477 29.700 0.043 0.000 1.198 255 E HN 0.698 nan 8.360 nan 0.000 0.407 256 G N 1.839 110.662 108.800 0.038 0.000 3.376 256 G HA2 -0.488 3.472 3.960 -0.000 0.000 0.286 256 G HA3 -0.488 3.472 3.960 -0.000 0.000 0.286 256 G C 1.261 176.174 174.900 0.021 0.000 0.909 256 G CA 1.313 46.428 45.100 0.025 0.000 0.769 256 G HN 0.705 nan 8.290 nan 0.000 1.194 257 E N 0.884 121.094 120.200 0.017 0.000 2.095 257 E HA -0.301 4.049 4.350 -0.000 0.000 0.212 257 E C 2.987 179.600 176.600 0.022 0.000 1.044 257 E CA 2.616 59.025 56.400 0.014 0.000 0.857 257 E CB -0.844 28.864 29.700 0.013 0.000 0.764 257 E HN 0.652 nan 8.360 nan 0.000 0.462 258 A N 0.848 123.689 122.820 0.034 0.000 1.855 258 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 258 A C 2.294 179.921 177.584 0.072 0.000 1.191 258 A CA 1.613 53.679 52.037 0.048 0.000 0.613 258 A CB -0.820 18.210 19.000 0.050 0.000 0.829 258 A HN 0.345 nan 8.150 nan 0.000 0.442 259 L N -0.027 121.247 121.223 0.084 0.000 2.042 259 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 259 L C 2.609 179.522 176.870 0.072 0.000 1.076 259 L CA 2.385 57.300 54.840 0.125 0.000 0.749 259 L CB -0.914 41.216 42.059 0.118 0.000 0.893 259 L HN 0.356 nan 8.230 nan 0.000 0.432 260 A N -1.643 121.187 122.820 0.018 0.000 1.877 260 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 260 A C 2.246 179.809 177.584 -0.035 0.000 1.186 260 A CA 2.220 54.234 52.037 -0.038 0.000 0.620 260 A CB -1.237 17.740 19.000 -0.039 0.000 0.822 260 A HN 0.518 nan 8.150 nan 0.000 0.443 261 T N 0.565 115.120 114.554 0.002 0.000 2.833 261 T HA -0.077 4.273 4.350 -0.000 0.000 0.269 261 T C 1.757 176.479 174.700 0.037 0.000 1.054 261 T CA 1.448 63.553 62.100 0.009 0.000 1.135 261 T CB -0.350 68.530 68.868 0.019 0.000 0.869 261 T HN 0.372 nan 8.240 nan 0.000 0.466 262 L N 0.494 121.771 121.223 0.090 0.000 2.044 262 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 262 L C 2.648 179.628 176.870 0.182 0.000 1.075 262 L CA 0.721 55.672 54.840 0.184 0.000 0.747 262 L CB -0.694 41.548 42.059 0.305 0.000 0.903 262 L HN 0.108 nan 8.230 nan 0.000 0.435 263 V N -0.448 119.472 119.914 0.010 0.000 2.469 263 V HA -0.244 3.876 4.120 -0.000 0.000 0.251 263 V C 2.282 178.263 176.094 -0.187 0.000 1.064 263 V CA 1.365 63.499 62.300 -0.276 0.000 1.066 263 V CB -0.293 31.269 31.823 -0.435 0.000 0.667 263 V HN 0.194 nan 8.190 nan 0.000 0.461 264 V N -0.046 119.800 119.914 -0.112 0.000 2.278 264 V HA -0.179 3.941 4.120 -0.000 0.000 0.238 264 V C 2.051 178.129 176.094 -0.027 0.000 1.039 264 V CA 2.133 64.377 62.300 -0.093 0.000 1.017 264 V CB -0.907 30.868 31.823 -0.079 0.000 0.657 264 V HN 0.531 nan 8.190 nan 0.000 0.462 265 N N 0.587 119.291 118.700 0.006 0.000 2.096 265 N HA -0.276 4.464 4.740 -0.000 0.000 0.195 265 N C 1.846 177.384 175.510 0.047 0.000 1.017 265 N CA 2.159 55.225 53.050 0.027 0.000 0.870 265 N CB -0.231 38.280 38.487 0.040 0.000 1.024 265 N HN 0.724 nan 8.380 nan 0.000 0.434 266 T N -1.182 113.421 114.554 0.082 0.000 2.904 266 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 266 T C 1.611 176.359 174.700 0.080 0.000 1.059 266 T CA 0.576 62.741 62.100 0.109 0.000 1.137 266 T CB -0.134 68.860 68.868 0.210 0.000 0.879 266 T HN 0.148 nan 8.240 nan 0.000 0.467 267 M N 0.477 120.103 119.600 0.044 0.000 2.682 267 M HA 0.255 4.735 4.480 -0.000 0.000 0.235 267 M C 1.305 177.614 176.300 0.015 0.000 1.114 267 M CA 0.464 55.777 55.300 0.021 0.000 1.053 267 M CB -0.119 32.457 32.600 -0.040 0.000 1.599 267 M HN 0.121 nan 8.290 nan 0.000 0.520 268 R N -1.467 119.045 120.500 0.021 0.000 2.549 268 R HA 0.261 4.601 4.340 -0.000 0.000 0.344 268 R C 0.949 177.264 176.300 0.024 0.000 0.979 268 R CA 0.460 56.570 56.100 0.017 0.000 1.140 268 R CB 0.798 31.102 30.300 0.007 0.000 1.377 268 R HN 0.489 nan 8.270 nan 0.000 0.541 269 G N 1.732 110.552 108.800 0.033 0.000 2.184 269 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.264 269 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.264 269 G C 0.377 175.296 174.900 0.032 0.000 0.975 269 G CA 0.130 45.250 45.100 0.033 0.000 0.642 269 G HN 0.314 nan 8.290 nan 0.000 0.536 270 I N 1.434 122.023 120.570 0.032 0.000 2.280 270 I HA 0.387 4.557 4.170 -0.000 0.000 0.287 270 I C 0.581 176.722 176.117 0.040 0.000 1.121 270 I CA -0.395 60.923 61.300 0.030 0.000 1.798 270 I CB -0.234 37.780 38.000 0.024 0.000 1.489 270 I HN 0.119 nan 8.210 nan 0.000 0.805 271 V N 2.523 122.463 119.914 0.044 0.000 3.301 271 V HA -0.192 3.927 4.120 -0.000 0.000 0.474 271 V C 0.031 176.163 176.094 0.064 0.000 0.682 271 V CA -0.111 62.221 62.300 0.052 0.000 2.015 271 V CB -0.867 30.985 31.823 0.050 0.000 2.470 271 V HN 0.629 nan 8.190 nan 0.000 0.499 272 K N 3.906 124.344 120.400 0.064 0.000 2.379 272 K HA 0.679 4.999 4.320 -0.000 0.000 0.284 272 K C -0.326 176.310 176.600 0.059 0.000 1.044 272 K CA -0.022 56.307 56.287 0.070 0.000 0.974 272 K CB 1.239 33.772 32.500 0.055 0.000 0.962 272 K HN 0.594 nan 8.250 nan 0.000 0.474 273 V N 1.098 121.049 119.914 0.063 0.000 2.971 273 V HA 0.845 4.965 4.120 -0.000 0.000 0.309 273 V C -1.120 174.840 176.094 -0.223 0.000 1.130 273 V CA -1.141 61.147 62.300 -0.020 0.000 0.964 273 V CB 2.180 34.016 31.823 0.023 0.000 1.029 273 V HN 0.758 nan 8.190 nan 0.000 0.427 274 A N 2.189 124.751 122.820 -0.429 0.000 2.488 274 A HA 0.996 5.316 4.320 -0.000 0.000 0.298 274 A C -0.697 176.511 177.584 -0.627 0.000 1.044 274 A CA -0.059 51.426 52.037 -0.920 0.000 0.693 274 A CB 1.838 20.576 19.000 -0.437 0.000 1.272 274 A HN 1.748 nan 8.150 nan 0.000 0.402 275 A N 1.016 123.389 122.820 -0.744 0.000 2.374 275 A HA 0.923 5.243 4.320 -0.000 0.000 0.317 275 A C -0.289 177.271 177.584 -0.039 0.000 1.094 275 A CA -0.095 51.810 52.037 -0.219 0.000 0.765 275 A CB 1.386 20.343 19.000 -0.073 0.000 1.268 275 A HN 2.354 nan 8.150 nan 0.000 0.438 276 V N -1.151 118.790 119.914 0.044 0.000 3.147 276 V HA 0.611 4.731 4.120 -0.000 0.000 0.306 276 V C -0.712 175.467 176.094 0.141 0.000 1.209 276 V CA -1.255 61.108 62.300 0.105 0.000 1.023 276 V CB 1.545 33.429 31.823 0.103 0.000 1.059 276 V HN 0.868 nan 8.190 nan 0.000 0.435 277 K N 1.860 122.350 120.400 0.150 0.000 2.237 277 K HA 0.697 5.016 4.320 -0.000 0.000 0.270 277 K C 0.410 177.121 176.600 0.185 0.000 1.015 277 K CA 0.248 56.619 56.287 0.139 0.000 0.949 277 K CB 1.468 34.038 32.500 0.117 0.000 0.976 277 K HN 1.138 nan 8.250 nan 0.000 0.472 278 A N 4.087 126.961 122.820 0.090 0.000 2.425 278 A HA 0.213 4.532 4.320 -0.000 0.000 0.242 278 A C -2.018 175.579 177.584 0.021 0.000 1.077 278 A CA -1.091 50.934 52.037 -0.019 0.000 0.781 278 A CB -0.380 18.585 19.000 -0.058 0.000 1.020 278 A HN 0.483 nan 8.150 nan 0.000 0.494 279 P HA 0.343 nan 4.420 nan 0.000 0.272 279 P C 0.690 178.021 177.300 0.051 0.000 1.223 279 P CA 1.406 64.536 63.100 0.050 0.000 0.784 279 P CB 0.474 32.134 31.700 -0.067 0.000 0.923 280 G N 1.884 110.760 108.800 0.127 0.000 2.749 280 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.242 280 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.242 280 G C -0.694 174.359 174.900 0.255 0.000 1.364 280 G CA 0.114 45.322 45.100 0.180 0.000 0.888 280 G HN 0.749 nan 8.290 nan 0.000 0.566 281 F N -2.160 117.804 119.950 0.025 0.000 2.675 281 F HA 0.845 5.371 4.527 -0.000 0.000 0.324 281 F C 1.118 176.931 175.800 0.021 0.000 1.106 281 F CA 0.130 58.144 58.000 0.023 0.000 0.970 281 F CB 0.933 39.951 39.000 0.030 0.000 1.385 281 F HN 2.408 nan 8.300 nan 0.000 0.489 282 G N 1.236 110.017 108.800 -0.032 0.000 2.591 282 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.298 282 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.298 282 G C 0.414 175.225 174.900 -0.148 0.000 1.195 282 G CA 0.741 45.747 45.100 -0.158 0.000 0.989 282 G HN 0.828 nan 8.290 nan 0.000 0.551 283 D N 1.108 121.396 120.400 -0.187 0.000 2.091 283 D HA -0.054 4.586 4.640 -0.000 0.000 0.199 283 D C 2.563 178.786 176.300 -0.128 0.000 0.980 283 D CA 1.587 55.512 54.000 -0.125 0.000 0.831 283 D CB -0.322 40.414 40.800 -0.106 0.000 0.987 283 D HN 0.702 nan 8.370 nan 0.000 0.460 284 R N 1.256 121.652 120.500 -0.174 0.000 2.200 284 R HA -0.056 4.284 4.340 -0.000 0.000 0.234 284 R C 2.150 178.382 176.300 -0.112 0.000 1.127 284 R CA 0.938 56.954 56.100 -0.141 0.000 0.989 284 R CB -0.359 29.846 30.300 -0.158 0.000 0.869 284 R HN 0.084 nan 8.270 nan 0.000 0.459 285 R N 1.676 122.109 120.500 -0.110 0.000 2.073 285 R HA -0.062 4.278 4.340 -0.000 0.000 0.229 285 R C 1.508 177.766 176.300 -0.070 0.000 1.120 285 R CA 1.554 57.615 56.100 -0.064 0.000 0.967 285 R CB -0.013 30.277 30.300 -0.016 0.000 0.862 285 R HN 0.269 nan 8.270 nan 0.000 0.436 286 K N 0.112 120.474 120.400 -0.064 0.000 2.097 286 K HA -0.040 4.280 4.320 -0.000 0.000 0.205 286 K C 2.140 178.702 176.600 -0.063 0.000 1.050 286 K CA 1.204 57.457 56.287 -0.056 0.000 0.938 286 K CB -0.101 32.372 32.500 -0.045 0.000 0.718 286 K HN 0.213 nan 8.250 nan 0.000 0.442 287 A N 1.502 124.281 122.820 -0.069 0.000 1.877 287 A HA -0.166 4.153 4.320 -0.000 0.000 0.216 287 A C 2.150 179.689 177.584 -0.075 0.000 1.186 287 A CA 1.555 53.552 52.037 -0.067 0.000 0.620 287 A CB -0.462 18.497 19.000 -0.070 0.000 0.822 287 A HN 0.178 nan 8.150 nan 0.000 0.443 288 M N -0.882 118.664 119.600 -0.091 0.000 2.229 288 M HA -0.008 4.471 4.480 -0.000 0.000 0.264 288 M C 2.083 178.298 176.300 -0.143 0.000 1.063 288 M CA 1.003 56.234 55.300 -0.114 0.000 1.114 288 M CB -0.326 32.196 32.600 -0.130 0.000 1.387 288 M HN 0.379 nan 8.290 nan 0.000 0.420 289 L N 0.021 121.165 121.223 -0.131 0.000 2.191 289 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 289 L C 2.563 179.377 176.870 -0.093 0.000 1.103 289 L CA 1.154 55.916 54.840 -0.130 0.000 0.769 289 L CB -0.262 41.741 42.059 -0.093 0.000 0.908 289 L HN 0.336 nan 8.230 nan 0.000 0.438 290 Q N 0.111 119.867 119.800 -0.073 0.000 2.137 290 Q HA -0.181 4.159 4.340 -0.000 0.000 0.198 290 Q C 1.569 177.538 176.000 -0.052 0.000 0.960 290 Q CA 1.614 57.385 55.803 -0.053 0.000 0.847 290 Q CB -0.016 28.696 28.738 -0.044 0.000 0.915 290 Q HN 0.350 nan 8.270 nan 0.000 0.448 291 D N -0.111 120.251 120.400 -0.063 0.000 2.104 291 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 291 D C 1.708 177.977 176.300 -0.051 0.000 0.994 291 D CA 1.497 55.465 54.000 -0.054 0.000 0.830 291 D CB -0.149 40.613 40.800 -0.063 0.000 0.959 291 D HN 0.359 nan 8.370 nan 0.000 0.452 292 I N 0.580 121.102 120.570 -0.080 0.000 2.315 292 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 292 I C 2.385 178.482 176.117 -0.033 0.000 1.117 292 I CA 0.867 62.127 61.300 -0.068 0.000 1.404 292 I CB -0.281 37.639 38.000 -0.135 0.000 1.071 292 I HN -0.044 nan 8.210 nan 0.000 0.419 293 A N 0.824 123.622 122.820 -0.036 0.000 1.858 293 A HA -0.207 4.112 4.320 -0.000 0.000 0.216 293 A C 2.412 179.991 177.584 -0.007 0.000 1.190 293 A CA 2.546 54.573 52.037 -0.016 0.000 0.617 293 A CB -1.173 17.815 19.000 -0.020 0.000 0.827 293 A HN 0.366 nan 8.150 nan 0.000 0.443 294 T N 0.570 115.116 114.554 -0.013 0.000 2.684 294 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 294 T C 1.855 176.553 174.700 -0.002 0.000 1.036 294 T CA 1.387 63.483 62.100 -0.008 0.000 1.148 294 T CB -0.383 68.477 68.868 -0.013 0.000 0.863 294 T HN 0.324 nan 8.240 nan 0.000 0.436 295 L N 1.851 123.073 121.223 -0.003 0.000 2.083 295 L HA -0.082 4.257 4.340 -0.000 0.000 0.209 295 L C 2.342 179.218 176.870 0.010 0.000 1.083 295 L CA 2.430 57.272 54.840 0.004 0.000 0.752 295 L CB -1.344 40.719 42.059 0.007 0.000 0.899 295 L HN 0.481 nan 8.230 nan 0.000 0.433 296 T N -3.832 110.730 114.554 0.013 0.000 3.086 296 T HA 0.239 4.589 4.350 -0.000 0.000 0.250 296 T C 1.236 175.951 174.700 0.024 0.000 1.074 296 T CA 0.400 62.513 62.100 0.020 0.000 0.988 296 T CB -0.150 68.736 68.868 0.030 0.000 0.988 296 T HN 0.580 nan 8.240 nan 0.000 0.530 297 G N 0.415 109.226 108.800 0.019 0.000 2.272 297 G HA2 0.117 4.077 3.960 -0.000 0.000 0.280 297 G HA3 0.117 4.077 3.960 -0.000 0.000 0.280 297 G C 0.253 175.173 174.900 0.033 0.000 1.067 297 G CA -0.177 44.937 45.100 0.023 0.000 0.902 297 G HN 1.065 nan 8.290 nan 0.000 0.500 298 G N -1.688 107.129 108.800 0.027 0.000 3.042 298 G HA2 0.843 4.803 3.960 -0.000 0.000 0.278 298 G HA3 0.843 4.803 3.960 -0.000 0.000 0.278 298 G C -0.593 174.315 174.900 0.013 0.000 1.371 298 G CA 0.098 45.217 45.100 0.030 0.000 1.009 298 G HN 0.674 nan 8.290 nan 0.000 0.523 299 T N 0.331 114.891 114.554 0.010 0.000 2.812 299 T HA 0.439 4.789 4.350 -0.000 0.000 0.282 299 T C -0.153 174.545 174.700 -0.004 0.000 0.990 299 T CA -0.269 61.831 62.100 0.000 0.000 0.960 299 T CB 1.700 70.567 68.868 -0.001 0.000 0.948 299 T HN 0.345 nan 8.240 nan 0.000 0.438 300 V N 4.898 124.806 119.914 -0.010 0.000 2.470 300 V HA 0.218 4.338 4.120 -0.000 0.000 0.276 300 V C 0.474 176.561 176.094 -0.011 0.000 1.040 300 V CA -0.326 61.966 62.300 -0.014 0.000 1.008 300 V CB 0.047 31.857 31.823 -0.022 0.000 0.990 300 V HN 0.778 nan 8.190 nan 0.000 0.477 301 I N 5.764 126.329 120.570 -0.009 0.000 2.278 301 I HA 0.194 4.363 4.170 -0.000 0.000 0.296 301 I C 0.627 176.740 176.117 -0.007 0.000 1.121 301 I CA 0.290 61.586 61.300 -0.007 0.000 1.267 301 I CB 0.393 38.389 38.000 -0.006 0.000 1.447 301 I HN 0.713 nan 8.210 nan 0.000 0.509 302 S N 3.341 119.036 115.700 -0.007 0.000 2.475 302 S HA 0.359 4.828 4.470 -0.000 0.000 0.298 302 S C 0.627 175.225 174.600 -0.004 0.000 1.119 302 S CA -0.847 57.349 58.200 -0.006 0.000 1.085 302 S CB 2.071 65.266 63.200 -0.009 0.000 1.028 302 S HN 0.578 nan 8.310 nan 0.000 0.489 303 E N 1.622 121.821 120.200 -0.001 0.000 2.204 303 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 303 E C 1.456 178.055 176.600 -0.001 0.000 0.989 303 E CA 0.994 57.394 56.400 0.000 0.000 0.824 303 E CB -0.036 29.665 29.700 0.003 0.000 0.756 303 E HN 0.798 nan 8.360 nan 0.000 0.477 304 E N 1.014 121.213 120.200 -0.002 0.000 2.021 304 E HA -0.209 4.141 4.350 -0.000 0.000 0.200 304 E C 1.964 178.562 176.600 -0.004 0.000 1.015 304 E CA 1.180 57.578 56.400 -0.003 0.000 0.824 304 E CB -0.242 29.456 29.700 -0.005 0.000 0.762 304 E HN 0.284 nan 8.360 nan 0.000 0.454 305 I N 0.503 121.070 120.570 -0.005 0.000 3.164 305 I HA -0.076 4.093 4.170 -0.000 0.000 0.278 305 I C 1.013 177.127 176.117 -0.004 0.000 1.320 305 I CA 0.632 61.928 61.300 -0.005 0.000 1.422 305 I CB -0.797 37.199 38.000 -0.007 0.000 1.066 305 I HN 0.298 nan 8.210 nan 0.000 0.503 306 G N 1.724 110.522 108.800 -0.003 0.000 2.291 306 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.271 306 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.271 306 G C -0.053 174.845 174.900 -0.003 0.000 1.099 306 G CA -0.201 44.898 45.100 -0.003 0.000 0.919 306 G HN 0.282 nan 8.290 nan 0.000 0.496 307 M N -0.557 119.041 119.600 -0.004 0.000 2.654 307 M HA 0.670 5.149 4.480 -0.000 0.000 0.310 307 M C 0.257 176.554 176.300 -0.004 0.000 1.211 307 M CA -0.488 54.809 55.300 -0.005 0.000 0.947 307 M CB 1.702 34.299 32.600 -0.006 0.000 1.647 307 M HN 0.241 nan 8.290 nan 0.000 0.481 308 E N 0.762 120.959 120.200 -0.005 0.000 2.314 308 E HA 0.303 4.653 4.350 -0.000 0.000 0.272 308 E C -0.022 176.573 176.600 -0.007 0.000 0.884 308 E CA -0.453 55.944 56.400 -0.005 0.000 0.753 308 E CB 2.367 32.065 29.700 -0.005 0.000 1.213 308 E HN 0.621 nan 8.360 nan 0.000 0.432 309 L N 1.545 122.765 121.223 -0.005 0.000 2.275 309 L HA -0.165 4.175 4.340 -0.000 0.000 0.215 309 L C 1.474 178.337 176.870 -0.012 0.000 1.119 309 L CA 1.163 55.998 54.840 -0.008 0.000 0.790 309 L CB -0.213 41.844 42.059 -0.003 0.000 0.919 309 L HN 0.546 nan 8.230 nan 0.000 0.443 310 E N 0.320 120.515 120.200 -0.010 0.000 2.208 310 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 310 E C 1.395 177.985 176.600 -0.015 0.000 0.988 310 E CA 0.878 57.272 56.400 -0.011 0.000 0.828 310 E CB 0.028 29.724 29.700 -0.008 0.000 0.763 310 E HN 0.325 nan 8.360 nan 0.000 0.478 311 K N 0.200 120.592 120.400 -0.015 0.000 2.446 311 K HA 0.350 4.670 4.320 -0.000 0.000 0.203 311 K C -0.275 176.312 176.600 -0.021 0.000 1.027 311 K CA -0.171 56.106 56.287 -0.016 0.000 1.166 311 K CB 1.025 33.517 32.500 -0.013 0.000 0.869 311 K HN -0.015 nan 8.250 nan 0.000 0.504 312 A N 1.663 124.468 122.820 -0.025 0.000 2.301 312 A HA 0.347 4.667 4.320 -0.000 0.000 0.298 312 A C 0.354 177.909 177.584 -0.048 0.000 1.185 312 A CA -0.425 51.593 52.037 -0.032 0.000 0.830 312 A CB 0.380 19.362 19.000 -0.029 0.000 1.112 312 A HN 0.227 nan 8.150 nan 0.000 0.508 313 T N -0.040 114.481 114.554 -0.055 0.000 2.938 313 T HA 0.516 4.866 4.350 -0.000 0.000 0.285 313 T C 1.156 175.788 174.700 -0.114 0.000 1.028 313 T CA -0.776 61.277 62.100 -0.077 0.000 1.005 313 T CB 0.581 69.414 68.868 -0.058 0.000 1.157 313 T HN 0.347 nan 8.240 nan 0.000 0.550 314 L N 0.092 121.211 121.223 -0.173 0.000 2.129 314 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 314 L C 2.906 179.696 176.870 -0.134 0.000 1.087 314 L CA 1.851 56.520 54.840 -0.286 0.000 0.757 314 L CB -0.598 41.241 42.059 -0.368 0.000 0.896 314 L HN 0.894 nan 8.230 nan 0.000 0.434 315 E N 0.148 120.308 120.200 -0.066 0.000 2.209 315 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 315 E C 1.345 177.944 176.600 -0.002 0.000 0.993 315 E CA 1.266 57.658 56.400 -0.014 0.000 0.819 315 E CB 0.151 29.843 29.700 -0.013 0.000 0.745 315 E HN 0.509 nan 8.360 nan 0.000 0.477 316 D N -0.105 120.284 120.400 -0.019 0.000 2.289 316 D HA -0.027 4.613 4.640 -0.000 0.000 0.207 316 D C 0.150 176.457 176.300 0.011 0.000 0.966 316 D CA 0.162 54.158 54.000 -0.006 0.000 0.868 316 D CB 0.195 40.985 40.800 -0.017 0.000 0.943 316 D HN 0.124 nan 8.370 nan 0.000 0.514 317 L N 1.141 122.371 121.223 0.012 0.000 2.456 317 L HA 0.240 4.580 4.340 -0.000 0.000 0.272 317 L C 1.444 178.397 176.870 0.139 0.000 1.189 317 L CA 0.153 55.035 54.840 0.070 0.000 0.846 317 L CB 0.550 42.638 42.059 0.048 0.000 1.111 317 L HN -0.161 nan 8.230 nan 0.000 0.475 318 G N 1.522 110.399 108.800 0.128 0.000 2.580 318 G HA2 0.523 4.483 3.960 -0.000 0.000 0.278 318 G HA3 0.523 4.483 3.960 -0.000 0.000 0.278 318 G C -0.974 174.003 174.900 0.128 0.000 1.212 318 G CA -0.232 44.930 45.100 0.103 0.000 0.939 318 G HN 0.581 nan 8.290 nan 0.000 0.513 319 Q N -1.709 118.124 119.800 0.056 0.000 2.426 319 Q HA 0.578 4.918 4.340 -0.000 0.000 0.278 319 Q C -1.299 174.681 176.000 -0.033 0.000 1.007 319 Q CA -0.721 55.071 55.803 -0.019 0.000 0.850 319 Q CB 2.167 30.870 28.738 -0.059 0.000 1.427 319 Q HN 1.048 nan 8.270 nan 0.000 0.391 320 A N 2.078 124.859 122.820 -0.064 0.000 2.606 320 A HA 0.423 4.743 4.320 -0.000 0.000 0.293 320 A C -0.619 176.927 177.584 -0.063 0.000 1.082 320 A CA -0.619 51.392 52.037 -0.042 0.000 0.685 320 A CB 1.606 20.599 19.000 -0.011 0.000 1.284 320 A HN 0.815 nan 8.150 nan 0.000 0.408 321 K N -0.474 119.898 120.400 -0.046 0.000 2.211 321 K HA -0.014 4.306 4.320 -0.000 0.000 0.203 321 K C 0.680 177.255 176.600 -0.042 0.000 1.050 321 K CA 1.373 57.631 56.287 -0.049 0.000 0.945 321 K CB 0.110 32.590 32.500 -0.034 0.000 0.732 321 K HN 0.550 nan 8.250 nan 0.000 0.451 322 R N -0.289 120.193 120.500 -0.030 0.000 2.725 322 R HA 0.147 4.487 4.340 -0.000 0.000 0.254 322 R C -2.017 174.277 176.300 -0.010 0.000 1.076 322 R CA -0.556 55.532 56.100 -0.021 0.000 0.940 322 R CB 1.553 31.843 30.300 -0.016 0.000 1.260 322 R HN -0.053 nan 8.270 nan 0.000 0.466 323 V N 0.429 120.339 119.914 -0.007 0.000 2.789 323 V HA 0.874 4.994 4.120 -0.000 0.000 0.311 323 V C -1.307 174.785 176.094 -0.004 0.000 1.073 323 V CA -0.655 61.644 62.300 -0.001 0.000 0.921 323 V CB 2.195 34.022 31.823 0.007 0.000 1.009 323 V HN 0.431 nan 8.190 nan 0.000 0.426 324 V N 5.222 125.129 119.914 -0.012 0.000 2.577 324 V HA 0.590 4.710 4.120 -0.000 0.000 0.303 324 V C -0.382 175.696 176.094 -0.026 0.000 1.042 324 V CA -0.309 61.988 62.300 -0.004 0.000 0.872 324 V CB 1.621 33.447 31.823 0.005 0.000 0.998 324 V HN 0.865 nan 8.190 nan 0.000 0.423 325 I N 4.387 124.963 120.570 0.009 0.000 2.433 325 I HA 0.517 4.687 4.170 -0.000 0.000 0.292 325 I C 0.001 176.164 176.117 0.078 0.000 1.001 325 I CA -0.445 60.858 61.300 0.006 0.000 1.119 325 I CB 1.872 39.903 38.000 0.051 0.000 1.289 325 I HN 0.549 nan 8.210 nan 0.000 0.438 326 N N 4.106 122.785 118.700 -0.035 0.000 2.717 326 N HA 0.245 4.985 4.740 -0.000 0.000 0.314 326 N C 0.903 176.188 175.510 -0.375 0.000 1.324 326 N CA -0.565 52.451 53.050 -0.056 0.000 0.902 326 N CB 0.708 39.134 38.487 -0.102 0.000 1.126 326 N HN 0.532 nan 8.380 nan 0.000 0.579 327 K N 0.196 120.361 120.400 -0.390 0.000 2.155 327 K HA -0.096 4.224 4.320 -0.000 0.000 0.203 327 K C -0.601 175.697 176.600 -0.503 0.000 1.052 327 K CA 1.619 57.500 56.287 -0.676 0.000 0.948 327 K CB 0.027 32.370 32.500 -0.261 0.000 0.728 327 K HN 0.528 nan 8.250 nan 0.000 0.448 328 D N -0.746 119.472 120.400 -0.303 0.000 2.712 328 D HA 0.124 4.764 4.640 -0.000 0.000 0.300 328 D C -0.942 175.252 176.300 -0.178 0.000 1.521 328 D CA -0.414 53.461 54.000 -0.208 0.000 0.790 328 D CB 1.130 41.850 40.800 -0.133 0.000 1.155 328 D HN -0.148 nan 8.370 nan 0.000 0.456 329 T N -0.044 114.383 114.554 -0.212 0.000 3.172 329 T HA 0.493 4.843 4.350 -0.000 0.000 0.320 329 T C -1.231 173.296 174.700 -0.289 0.000 1.085 329 T CA -0.367 61.599 62.100 -0.223 0.000 1.052 329 T CB 1.858 70.641 68.868 -0.142 0.000 1.107 329 T HN -0.100 nan 8.240 nan 0.000 0.458 330 T N 2.555 116.800 114.554 -0.515 0.000 2.792 330 T HA 0.647 4.997 4.350 -0.000 0.000 0.280 330 T C -0.393 174.014 174.700 -0.488 0.000 0.990 330 T CA -0.553 61.193 62.100 -0.591 0.000 0.960 330 T CB 1.516 69.765 68.868 -1.030 0.000 0.939 330 T HN 0.573 nan 8.240 nan 0.000 0.439 331 T N 3.713 118.142 114.554 -0.209 0.000 2.881 331 T HA 0.610 4.960 4.350 -0.000 0.000 0.291 331 T C -0.663 174.032 174.700 -0.009 0.000 0.990 331 T CA -0.688 61.365 62.100 -0.078 0.000 0.976 331 T CB 0.138 68.977 68.868 -0.049 0.000 0.970 331 T HN 0.484 nan 8.240 nan 0.000 0.438 332 I N 6.293 126.895 120.570 0.053 0.000 2.315 332 I HA 0.423 4.593 4.170 -0.000 0.000 0.291 332 I C -0.165 175.974 176.117 0.036 0.000 1.006 332 I CA -0.744 60.592 61.300 0.059 0.000 1.265 332 I CB 1.195 39.258 38.000 0.105 0.000 1.387 332 I HN 0.564 nan 8.210 nan 0.000 0.475 333 I N 5.844 126.425 120.570 0.017 0.000 2.354 333 I HA 0.257 4.427 4.170 -0.000 0.000 0.286 333 I C -0.549 175.569 176.117 0.002 0.000 1.007 333 I CA -0.417 60.888 61.300 0.008 0.000 1.167 333 I CB 1.043 39.044 38.000 0.001 0.000 1.320 333 I HN 0.589 nan 8.210 nan 0.000 0.458 334 D N 4.890 125.292 120.400 0.003 0.000 3.515 334 D HA -0.104 4.536 4.640 -0.000 0.000 0.247 334 D C 0.105 176.403 176.300 -0.004 0.000 1.084 334 D CA 0.912 54.911 54.000 -0.002 0.000 1.030 334 D CB -0.198 40.596 40.800 -0.009 0.000 0.946 334 D HN 0.832 nan 8.370 nan 0.000 0.420 335 G N 0.709 109.511 108.800 0.003 0.000 2.420 335 G HA2 0.424 4.383 3.960 -0.000 0.000 0.284 335 G HA3 0.424 4.383 3.960 -0.000 0.000 0.284 335 G C 1.320 176.220 174.900 -0.001 0.000 1.177 335 G CA -0.464 44.638 45.100 0.003 0.000 0.841 335 G HN 0.402 nan 8.290 nan 0.000 0.527 336 V N 2.099 122.011 119.914 -0.003 0.000 3.444 336 V HA 0.027 4.147 4.120 -0.000 0.000 0.271 336 V C 2.080 178.177 176.094 0.005 0.000 1.188 336 V CA 0.671 62.970 62.300 -0.001 0.000 1.168 336 V CB -1.218 30.604 31.823 -0.001 0.000 0.810 336 V HN 0.807 nan 8.190 nan 0.000 0.500 337 G N 0.915 109.719 108.800 0.007 0.000 2.368 337 G HA2 0.050 4.010 3.960 -0.000 0.000 0.233 337 G HA3 0.050 4.010 3.960 -0.000 0.000 0.233 337 G C 0.023 174.926 174.900 0.004 0.000 1.267 337 G CA -0.215 44.889 45.100 0.006 0.000 0.873 337 G HN 0.289 nan 8.290 nan 0.000 0.539 338 E N 1.606 121.808 120.200 0.004 0.000 2.360 338 E HA 0.032 4.382 4.350 -0.000 0.000 0.269 338 E C 1.283 177.884 176.600 0.001 0.000 1.022 338 E CA -0.416 55.986 56.400 0.002 0.000 0.887 338 E CB 1.016 30.718 29.700 0.003 0.000 0.990 338 E HN 0.554 nan 8.360 nan 0.000 0.426 339 E N 2.088 122.288 120.200 0.000 0.000 2.171 339 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 339 E C 1.585 178.185 176.600 -0.001 0.000 0.997 339 E CA 1.310 57.709 56.400 -0.001 0.000 0.810 339 E CB -0.263 29.437 29.700 -0.001 0.000 0.738 339 E HN 0.549 nan 8.360 nan 0.000 0.467 340 A N 1.809 124.628 122.820 -0.001 0.000 1.841 340 A HA -0.016 4.304 4.320 -0.000 0.000 0.214 340 A C 2.504 180.087 177.584 -0.002 0.000 1.195 340 A CA 2.203 54.239 52.037 -0.002 0.000 0.611 340 A CB -0.921 18.078 19.000 -0.001 0.000 0.835 340 A HN 0.287 nan 8.150 nan 0.000 0.443 341 A N 0.045 122.864 122.820 -0.002 0.000 1.873 341 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 341 A C 2.168 179.749 177.584 -0.004 0.000 1.193 341 A CA 1.813 53.849 52.037 -0.003 0.000 0.629 341 A CB -0.823 18.176 19.000 -0.001 0.000 0.826 341 A HN 0.518 nan 8.150 nan 0.000 0.447 342 I N -1.216 119.352 120.570 -0.003 0.000 2.127 342 I HA -0.294 3.875 4.170 -0.000 0.000 0.241 342 I C 2.781 178.895 176.117 -0.005 0.000 1.075 342 I CA 1.909 63.207 61.300 -0.004 0.000 1.334 342 I CB -0.395 37.604 38.000 -0.002 0.000 1.040 342 I HN 0.334 nan 8.210 nan 0.000 0.405 343 Q N 1.034 120.831 119.800 -0.004 0.000 2.226 343 Q HA -0.111 4.229 4.340 -0.000 0.000 0.204 343 Q C 2.011 178.007 176.000 -0.006 0.000 0.975 343 Q CA 1.667 57.467 55.803 -0.005 0.000 0.866 343 Q CB -0.582 28.154 28.738 -0.004 0.000 0.915 343 Q HN 0.536 nan 8.270 nan 0.000 0.440 344 G N -0.392 108.405 108.800 -0.006 0.000 2.403 344 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.216 344 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.216 344 G C 1.549 176.443 174.900 -0.010 0.000 1.154 344 G CA 0.705 45.800 45.100 -0.007 0.000 0.784 344 G HN 0.282 nan 8.290 nan 0.000 0.538 345 R N 0.395 120.889 120.500 -0.011 0.000 2.115 345 R HA 0.041 4.380 4.340 -0.000 0.000 0.230 345 R C 2.470 178.761 176.300 -0.015 0.000 1.111 345 R CA 1.187 57.278 56.100 -0.014 0.000 0.976 345 R CB -0.809 29.482 30.300 -0.016 0.000 0.870 345 R HN 0.203 nan 8.270 nan 0.000 0.445 346 V N 0.870 120.777 119.914 -0.013 0.000 2.490 346 V HA -0.182 3.938 4.120 -0.000 0.000 0.250 346 V C 2.326 178.413 176.094 -0.013 0.000 1.061 346 V CA 1.742 64.035 62.300 -0.013 0.000 1.064 346 V CB -0.934 30.883 31.823 -0.009 0.000 0.670 346 V HN 0.505 nan 8.190 nan 0.000 0.461 347 A N -0.171 122.642 122.820 -0.011 0.000 1.858 347 A HA -0.279 4.040 4.320 -0.000 0.000 0.216 347 A C 2.198 179.775 177.584 -0.013 0.000 1.190 347 A CA 1.965 53.995 52.037 -0.011 0.000 0.617 347 A CB -0.513 18.482 19.000 -0.009 0.000 0.827 347 A HN 0.607 nan 8.150 nan 0.000 0.443 348 Q N -0.253 119.539 119.800 -0.014 0.000 2.014 348 Q HA -0.173 4.167 4.340 -0.000 0.000 0.207 348 Q C 2.076 178.065 176.000 -0.019 0.000 0.993 348 Q CA 1.844 57.637 55.803 -0.016 0.000 0.850 348 Q CB -0.496 28.232 28.738 -0.018 0.000 0.916 348 Q HN 0.721 nan 8.270 nan 0.000 0.417 349 I N 0.359 120.916 120.570 -0.022 0.000 2.315 349 I HA -0.296 3.874 4.170 -0.000 0.000 0.251 349 I C 2.575 178.678 176.117 -0.024 0.000 1.125 349 I CA 1.216 62.501 61.300 -0.026 0.000 1.392 349 I CB -0.308 37.675 38.000 -0.028 0.000 1.065 349 I HN 0.170 nan 8.210 nan 0.000 0.424 350 R N 0.230 120.719 120.500 -0.019 0.000 2.193 350 R HA -0.115 4.225 4.340 -0.000 0.000 0.213 350 R C 2.345 178.636 176.300 -0.015 0.000 1.055 350 R CA 0.706 56.796 56.100 -0.016 0.000 0.995 350 R CB 0.084 30.377 30.300 -0.013 0.000 0.893 350 R HN 0.299 nan 8.270 nan 0.000 0.459 351 Q N 0.107 119.898 119.800 -0.015 0.000 2.096 351 Q HA -0.097 4.243 4.340 -0.000 0.000 0.197 351 Q C 1.896 177.887 176.000 -0.015 0.000 0.964 351 Q CA 1.171 56.966 55.803 -0.013 0.000 0.838 351 Q CB 0.180 28.910 28.738 -0.012 0.000 0.906 351 Q HN 0.409 nan 8.270 nan 0.000 0.444 352 Q N 0.358 120.147 119.800 -0.019 0.000 2.152 352 Q HA -0.152 4.188 4.340 -0.000 0.000 0.206 352 Q C 2.208 178.195 176.000 -0.021 0.000 0.985 352 Q CA 1.094 56.884 55.803 -0.021 0.000 0.863 352 Q CB -0.423 28.298 28.738 -0.028 0.000 0.904 352 Q HN 0.459 nan 8.270 nan 0.000 0.422 353 I N 1.152 121.709 120.570 -0.022 0.000 2.335 353 I HA -0.257 3.913 4.170 -0.000 0.000 0.251 353 I C 2.199 178.308 176.117 -0.014 0.000 1.129 353 I CA 1.044 62.332 61.300 -0.021 0.000 1.402 353 I CB -0.291 37.697 38.000 -0.020 0.000 1.069 353 I HN 0.133 nan 8.210 nan 0.000 0.424 354 E N 1.171 121.365 120.200 -0.011 0.000 2.028 354 E HA -0.167 4.183 4.350 -0.000 0.000 0.190 354 E C 1.779 178.375 176.600 -0.006 0.000 0.984 354 E CA 1.117 57.512 56.400 -0.008 0.000 0.800 354 E CB -0.394 29.302 29.700 -0.007 0.000 0.758 354 E HN 0.571 nan 8.360 nan 0.000 0.448 355 E N 1.049 121.244 120.200 -0.008 0.000 2.526 355 E HA 0.100 4.450 4.350 -0.000 0.000 0.198 355 E C 0.089 176.686 176.600 -0.005 0.000 1.091 355 E CA -0.031 56.365 56.400 -0.006 0.000 0.880 355 E CB 0.014 29.710 29.700 -0.008 0.000 0.873 355 E HN 0.064 nan 8.360 nan 0.000 0.527 356 A N 1.611 124.428 122.820 -0.006 0.000 2.444 356 A HA 0.088 4.408 4.320 -0.000 0.000 0.273 356 A C 1.304 178.890 177.584 0.005 0.000 1.136 356 A CA -0.170 51.865 52.037 -0.003 0.000 0.799 356 A CB -0.005 18.990 19.000 -0.008 0.000 1.081 356 A HN 0.222 nan 8.150 nan 0.000 0.509 357 T N -0.369 114.191 114.554 0.010 0.000 3.129 357 T HA 0.285 4.635 4.350 -0.000 0.000 0.251 357 T C 0.681 175.394 174.700 0.022 0.000 1.117 357 T CA 0.602 62.710 62.100 0.013 0.000 1.034 357 T CB -0.196 68.680 68.868 0.012 0.000 0.968 357 T HN 0.730 nan 8.240 nan 0.000 0.526 358 S N -1.068 114.650 115.700 0.030 0.000 2.651 358 S HA 0.398 4.867 4.470 -0.000 0.000 0.279 358 S C -0.184 174.446 174.600 0.051 0.000 1.148 358 S CA -0.679 57.550 58.200 0.048 0.000 0.837 358 S CB 1.749 64.993 63.200 0.073 0.000 1.138 358 S HN 0.091 nan 8.310 nan 0.000 0.478 359 D N 0.571 121.012 120.400 0.070 0.000 2.110 359 D HA -0.045 4.595 4.640 -0.000 0.000 0.202 359 D C 1.427 177.780 176.300 0.089 0.000 0.975 359 D CA 1.161 55.201 54.000 0.066 0.000 0.839 359 D CB -0.333 40.508 40.800 0.067 0.000 0.996 359 D HN 0.640 nan 8.370 nan 0.000 0.464 360 Y N 2.541 122.844 120.300 0.004 0.000 2.102 360 Y HA -0.273 4.277 4.550 -0.000 0.000 0.280 360 Y C 1.513 177.413 175.900 -0.001 0.000 1.178 360 Y CA 2.112 60.215 58.100 0.005 0.000 1.146 360 Y CB -0.434 38.030 38.460 0.008 0.000 0.968 360 Y HN -0.098 nan 8.280 nan 0.000 0.504 361 D N -0.697 119.706 120.400 0.006 0.000 2.218 361 D HA -0.147 4.493 4.640 -0.000 0.000 0.204 361 D C 2.212 178.444 176.300 -0.113 0.000 0.976 361 D CA 1.411 55.357 54.000 -0.091 0.000 0.853 361 D CB -0.235 40.571 40.800 0.010 0.000 0.939 361 D HN 0.339 nan 8.370 nan 0.000 0.481 362 R N 0.488 120.948 120.500 -0.066 0.000 2.062 362 R HA -0.079 4.261 4.340 -0.000 0.000 0.226 362 R C 1.804 178.056 176.300 -0.079 0.000 1.125 362 R CA 0.859 56.926 56.100 -0.054 0.000 0.966 362 R CB 0.173 30.461 30.300 -0.020 0.000 0.861 362 R HN 0.094 nan 8.270 nan 0.000 0.433 363 E N 1.056 121.199 120.200 -0.095 0.000 2.049 363 E HA -0.231 4.119 4.350 -0.000 0.000 0.198 363 E C 1.830 178.346 176.600 -0.140 0.000 1.007 363 E CA 1.129 57.470 56.400 -0.098 0.000 0.809 363 E CB -0.197 29.448 29.700 -0.091 0.000 0.749 363 E HN 0.202 nan 8.360 nan 0.000 0.450 364 K N 0.797 121.046 120.400 -0.252 0.000 2.103 364 K HA -0.079 4.240 4.320 -0.000 0.000 0.207 364 K C 2.424 178.937 176.600 -0.145 0.000 1.048 364 K CA 0.701 56.842 56.287 -0.243 0.000 0.930 364 K CB -0.528 31.737 32.500 -0.390 0.000 0.716 364 K HN 0.208 nan 8.250 nan 0.000 0.444 365 L N 1.028 122.176 121.223 -0.124 0.000 2.093 365 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 365 L C 2.581 179.415 176.870 -0.060 0.000 1.085 365 L CA 0.976 55.767 54.840 -0.082 0.000 0.755 365 L CB -0.356 41.663 42.059 -0.067 0.000 0.904 365 L HN 0.172 nan 8.230 nan 0.000 0.435 366 Q N 0.096 119.862 119.800 -0.057 0.000 2.124 366 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 366 Q C 2.006 177.986 176.000 -0.033 0.000 0.977 366 Q CA 1.343 57.123 55.803 -0.038 0.000 0.850 366 Q CB -0.123 28.595 28.738 -0.033 0.000 0.901 366 Q HN 0.600 nan 8.270 nan 0.000 0.429 367 E N 0.484 120.658 120.200 -0.043 0.000 2.077 367 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 367 E C 2.123 178.710 176.600 -0.022 0.000 0.989 367 E CA 0.797 57.179 56.400 -0.029 0.000 0.800 367 E CB -0.039 29.639 29.700 -0.036 0.000 0.746 367 E HN 0.278 nan 8.360 nan 0.000 0.452 368 R N 0.403 120.882 120.500 -0.034 0.000 2.096 368 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 368 R C 2.653 178.940 176.300 -0.021 0.000 1.127 368 R CA 1.527 57.609 56.100 -0.030 0.000 0.968 368 R CB -0.471 29.803 30.300 -0.044 0.000 0.861 368 R HN 0.192 nan 8.270 nan 0.000 0.440 369 V N -1.779 118.122 119.914 -0.022 0.000 2.453 369 V HA -0.018 4.102 4.120 -0.000 0.000 0.247 369 V C 2.328 178.417 176.094 -0.008 0.000 1.048 369 V CA 1.484 63.774 62.300 -0.015 0.000 1.049 369 V CB -0.965 30.848 31.823 -0.017 0.000 0.672 369 V HN 0.235 nan 8.190 nan 0.000 0.457 370 A N 0.895 123.711 122.820 -0.007 0.000 1.892 370 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 370 A C 2.346 179.934 177.584 0.006 0.000 1.188 370 A CA 2.531 54.568 52.037 -0.001 0.000 0.631 370 A CB -0.650 18.350 19.000 -0.000 0.000 0.822 370 A HN 0.615 nan 8.150 nan 0.000 0.447 371 K N -1.177 119.229 120.400 0.010 0.000 1.985 371 K HA -0.116 4.204 4.320 -0.000 0.000 0.210 371 K C 1.956 178.566 176.600 0.017 0.000 1.047 371 K CA 1.418 57.717 56.287 0.021 0.000 0.932 371 K CB -0.418 32.100 32.500 0.030 0.000 0.716 371 K HN 0.310 nan 8.250 nan 0.000 0.439 372 L N 0.902 122.130 121.223 0.007 0.000 1.970 372 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 372 L C 2.311 179.184 176.870 0.004 0.000 1.071 372 L CA 2.024 56.866 54.840 0.004 0.000 0.751 372 L CB -0.884 41.172 42.059 -0.005 0.000 0.889 372 L HN 0.192 nan 8.230 nan 0.000 0.432 373 A N -1.238 121.582 122.820 0.001 0.000 1.968 373 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 373 A C 2.309 179.895 177.584 0.003 0.000 1.169 373 A CA 1.293 53.330 52.037 0.000 0.000 0.638 373 A CB -1.255 17.744 19.000 -0.002 0.000 0.812 373 A HN 0.494 nan 8.150 nan 0.000 0.446 374 G N -0.890 107.913 108.800 0.005 0.000 2.418 374 G HA2 0.314 4.274 3.960 -0.000 0.000 0.217 374 G HA3 0.314 4.274 3.960 -0.000 0.000 0.217 374 G C 1.251 176.156 174.900 0.008 0.000 1.158 374 G CA 0.938 46.042 45.100 0.007 0.000 0.771 374 G HN 1.697 nan 8.290 nan 0.000 0.545 375 G N -1.764 107.043 108.800 0.011 0.000 2.584 375 G HA2 0.031 3.991 3.960 -0.000 0.000 0.229 375 G HA3 0.031 3.991 3.960 -0.000 0.000 0.229 375 G C -0.671 174.237 174.900 0.014 0.000 1.320 375 G CA -0.159 44.948 45.100 0.011 0.000 0.891 375 G HN 1.168 nan 8.290 nan 0.000 0.573 376 V N 0.304 120.224 119.914 0.010 0.000 2.655 376 V HA 0.682 4.801 4.120 -0.000 0.000 0.301 376 V C 0.643 176.739 176.094 0.003 0.000 1.082 376 V CA -0.053 62.252 62.300 0.009 0.000 0.899 376 V CB 1.211 33.041 31.823 0.011 0.000 1.014 376 V HN 2.248 nan 8.190 nan 0.000 0.429 377 A N 4.374 127.195 122.820 0.001 0.000 2.425 377 A HA 0.694 5.013 4.320 -0.000 0.000 0.249 377 A C -0.363 177.217 177.584 -0.006 0.000 1.084 377 A CA -0.121 51.914 52.037 -0.003 0.000 0.781 377 A CB 0.631 19.628 19.000 -0.004 0.000 1.019 377 A HN 0.889 nan 8.150 nan 0.000 0.490 378 V N 4.430 124.340 119.914 -0.007 0.000 2.409 378 V HA 0.280 4.400 4.120 -0.000 0.000 0.290 378 V C -0.340 175.747 176.094 -0.012 0.000 1.017 378 V CA -0.105 62.190 62.300 -0.010 0.000 0.841 378 V CB 1.250 33.068 31.823 -0.008 0.000 1.003 378 V HN 0.734 nan 8.190 nan 0.000 0.426 379 I N 4.762 125.322 120.570 -0.016 0.000 2.297 379 I HA 0.386 4.556 4.170 -0.000 0.000 0.291 379 I C 0.225 176.332 176.117 -0.018 0.000 1.033 379 I CA -0.382 60.907 61.300 -0.018 0.000 1.253 379 I CB 1.096 39.082 38.000 -0.024 0.000 1.396 379 I HN 0.469 nan 8.210 nan 0.000 0.476 380 K N 5.568 125.959 120.400 -0.015 0.000 2.253 380 K HA 0.418 4.738 4.320 -0.000 0.000 0.277 380 K C -0.788 175.804 176.600 -0.014 0.000 1.053 380 K CA -0.530 55.748 56.287 -0.014 0.000 0.892 380 K CB 1.602 34.095 32.500 -0.012 0.000 1.102 380 K HN 0.337 nan 8.250 nan 0.000 0.469 381 V N 3.167 123.072 119.914 -0.015 0.000 2.455 381 V HA 0.228 4.347 4.120 -0.000 0.000 0.273 381 V C 0.881 176.967 176.094 -0.012 0.000 1.045 381 V CA -0.579 61.712 62.300 -0.015 0.000 0.976 381 V CB 0.945 32.758 31.823 -0.017 0.000 0.993 381 V HN 0.876 nan 8.190 nan 0.000 0.475 382 G N 3.045 111.838 108.800 -0.011 0.000 2.462 382 G HA2 0.817 4.777 3.960 -0.000 0.000 0.319 382 G HA3 0.817 4.777 3.960 -0.000 0.000 0.319 382 G C -0.467 174.428 174.900 -0.009 0.000 1.171 382 G CA 0.099 45.193 45.100 -0.009 0.000 0.920 382 G HN 1.291 nan 8.290 nan 0.000 0.499 383 A N -1.034 121.781 122.820 -0.008 0.000 2.544 383 A HA 0.734 5.053 4.320 -0.000 0.000 0.291 383 A C 0.631 178.211 177.584 -0.006 0.000 1.055 383 A CA 0.404 52.437 52.037 -0.007 0.000 0.651 383 A CB 0.374 19.369 19.000 -0.007 0.000 1.296 383 A HN 1.851 nan 8.150 nan 0.000 0.431 384 A N -0.380 122.437 122.820 -0.006 0.000 1.970 384 A HA 0.452 4.772 4.320 -0.000 0.000 0.216 384 A C 1.249 178.831 177.584 -0.005 0.000 1.170 384 A CA 2.269 54.303 52.037 -0.005 0.000 0.645 384 A CB -0.467 18.530 19.000 -0.005 0.000 0.816 384 A HN 2.253 nan 8.150 nan 0.000 0.447 385 T N -4.563 109.989 114.554 -0.005 0.000 2.906 385 T HA 0.455 4.805 4.350 -0.000 0.000 0.295 385 T C 0.457 175.154 174.700 -0.005 0.000 1.075 385 T CA 0.064 62.162 62.100 -0.004 0.000 1.005 385 T CB 1.856 70.722 68.868 -0.004 0.000 1.136 385 T HN 0.224 nan 8.240 nan 0.000 0.498 386 E N 0.420 120.618 120.200 -0.004 0.000 2.077 386 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 386 E C 1.858 178.456 176.600 -0.004 0.000 0.989 386 E CA 1.528 57.926 56.400 -0.004 0.000 0.800 386 E CB -0.230 29.468 29.700 -0.004 0.000 0.746 386 E HN 0.568 nan 8.360 nan 0.000 0.452 387 V N 1.509 121.421 119.914 -0.004 0.000 2.233 387 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 387 V C 2.192 178.284 176.094 -0.004 0.000 1.050 387 V CA 2.395 64.693 62.300 -0.003 0.000 1.010 387 V CB -0.781 31.041 31.823 -0.003 0.000 0.637 387 V HN 0.304 nan 8.190 nan 0.000 0.444 388 E N -0.302 119.895 120.200 -0.004 0.000 2.085 388 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 388 E C 2.214 178.810 176.600 -0.006 0.000 0.994 388 E CA 1.575 57.972 56.400 -0.005 0.000 0.801 388 E CB -0.302 29.395 29.700 -0.005 0.000 0.743 388 E HN 0.456 nan 8.360 nan 0.000 0.453 389 M N 1.329 120.926 119.600 -0.006 0.000 2.065 389 M HA -0.199 4.281 4.480 -0.000 0.000 0.259 389 M C 1.837 178.133 176.300 -0.008 0.000 1.069 389 M CA 1.682 56.977 55.300 -0.007 0.000 1.110 389 M CB -0.276 32.320 32.600 -0.007 0.000 1.328 389 M HN -0.113 nan 8.290 nan 0.000 0.405 390 K N 0.231 120.627 120.400 -0.006 0.000 2.103 390 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 390 K C 1.960 178.556 176.600 -0.006 0.000 1.048 390 K CA 1.203 57.487 56.287 -0.005 0.000 0.930 390 K CB -0.643 31.855 32.500 -0.003 0.000 0.716 390 K HN 0.473 nan 8.250 nan 0.000 0.444 391 E N 1.590 121.787 120.200 -0.006 0.000 2.017 391 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 391 E C 1.949 178.544 176.600 -0.008 0.000 0.997 391 E CA 1.349 57.745 56.400 -0.006 0.000 0.804 391 E CB -0.018 29.679 29.700 -0.005 0.000 0.757 391 E HN 0.171 nan 8.360 nan 0.000 0.448 392 K N 0.840 121.234 120.400 -0.010 0.000 2.152 392 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 392 K C 2.326 178.916 176.600 -0.017 0.000 1.048 392 K CA 1.480 57.760 56.287 -0.013 0.000 0.933 392 K CB -0.096 32.396 32.500 -0.012 0.000 0.721 392 K HN -0.038 nan 8.250 nan 0.000 0.447 393 K N 0.159 120.550 120.400 -0.016 0.000 2.032 393 K HA -0.158 4.162 4.320 -0.000 0.000 0.209 393 K C 1.943 178.530 176.600 -0.023 0.000 1.048 393 K CA 1.356 57.632 56.287 -0.020 0.000 0.927 393 K CB -0.187 32.304 32.500 -0.015 0.000 0.712 393 K HN 0.205 nan 8.250 nan 0.000 0.441 394 A N 1.394 124.205 122.820 -0.015 0.000 1.902 394 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 394 A C 2.092 179.666 177.584 -0.017 0.000 1.181 394 A CA 1.352 53.383 52.037 -0.011 0.000 0.623 394 A CB -0.436 18.563 19.000 -0.002 0.000 0.818 394 A HN 0.326 nan 8.150 nan 0.000 0.443 395 R N -0.765 119.725 120.500 -0.017 0.000 2.115 395 R HA -0.050 4.289 4.340 -0.000 0.000 0.230 395 R C 2.004 178.284 176.300 -0.034 0.000 1.111 395 R CA 1.298 57.386 56.100 -0.019 0.000 0.976 395 R CB -0.409 29.882 30.300 -0.015 0.000 0.870 395 R HN 0.412 nan 8.270 nan 0.000 0.445 396 V N 1.071 120.961 119.914 -0.041 0.000 2.307 396 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 396 V C 1.962 177.998 176.094 -0.098 0.000 1.045 396 V CA 1.735 64.002 62.300 -0.056 0.000 1.024 396 V CB -0.369 31.425 31.823 -0.048 0.000 0.651 396 V HN 0.329 nan 8.190 nan 0.000 0.449 397 E N -0.316 119.819 120.200 -0.108 0.000 2.085 397 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 397 E C 2.045 178.473 176.600 -0.286 0.000 0.994 397 E CA 1.514 57.794 56.400 -0.200 0.000 0.801 397 E CB -0.145 29.488 29.700 -0.112 0.000 0.743 397 E HN 0.577 nan 8.360 nan 0.000 0.453 398 D N -0.058 120.278 120.400 -0.106 0.000 2.084 398 D HA -0.097 4.542 4.640 -0.000 0.000 0.196 398 D C 1.966 178.245 176.300 -0.036 0.000 0.985 398 D CA 1.210 55.199 54.000 -0.019 0.000 0.826 398 D CB -0.069 40.743 40.800 0.020 0.000 0.978 398 D HN 0.117 nan 8.370 nan 0.000 0.456 399 A N 0.836 123.629 122.820 -0.046 0.000 2.024 399 A HA -0.180 4.139 4.320 -0.000 0.000 0.220 399 A C 2.137 179.693 177.584 -0.048 0.000 1.164 399 A CA 0.961 52.978 52.037 -0.032 0.000 0.643 399 A CB -0.564 18.417 19.000 -0.031 0.000 0.806 399 A HN 0.255 nan 8.150 nan 0.000 0.451 400 L N -0.716 120.438 121.223 -0.116 0.000 2.005 400 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 400 L C 2.416 179.242 176.870 -0.073 0.000 1.072 400 L CA 2.180 56.943 54.840 -0.130 0.000 0.744 400 L CB -0.843 41.086 42.059 -0.217 0.000 0.895 400 L HN 0.516 nan 8.230 nan 0.000 0.433 401 H N -0.251 118.818 119.070 -0.001 0.000 2.352 401 H HA -0.085 4.471 4.556 -0.000 0.000 0.299 401 H C 2.143 177.472 175.328 0.002 0.000 1.097 401 H CA 1.409 57.457 56.048 -0.000 0.000 1.311 401 H CB -0.796 28.965 29.762 -0.001 0.000 1.377 401 H HN 0.491 nan 8.280 nan 0.000 0.504 402 A N 0.675 123.568 122.820 0.122 0.000 1.851 402 A HA -0.201 4.118 4.320 -0.000 0.000 0.216 402 A C 2.675 180.286 177.584 0.045 0.000 1.195 402 A CA 2.601 54.679 52.037 0.068 0.000 0.622 402 A CB -1.104 17.921 19.000 0.042 0.000 0.831 402 A HN 0.460 nan 8.150 nan 0.000 0.444 403 T N -0.588 113.983 114.554 0.028 0.000 2.788 403 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 403 T C 2.119 176.834 174.700 0.025 0.000 1.044 403 T CA 1.264 63.375 62.100 0.018 0.000 1.139 403 T CB -0.257 68.614 68.868 0.004 0.000 0.867 403 T HN 0.279 nan 8.240 nan 0.000 0.454 404 R N 1.245 121.768 120.500 0.037 0.000 2.091 404 R HA 0.050 4.390 4.340 -0.000 0.000 0.238 404 R C 2.561 178.886 176.300 0.041 0.000 1.136 404 R CA 1.688 57.813 56.100 0.043 0.000 0.959 404 R CB -0.974 29.369 30.300 0.072 0.000 0.856 404 R HN 0.461 nan 8.270 nan 0.000 0.437 405 A N -0.046 122.802 122.820 0.046 0.000 1.970 405 A HA 0.065 4.384 4.320 -0.000 0.000 0.216 405 A C 2.269 179.870 177.584 0.028 0.000 1.170 405 A CA 1.365 53.424 52.037 0.037 0.000 0.645 405 A CB -0.378 18.646 19.000 0.040 0.000 0.816 405 A HN 0.360 nan 8.150 nan 0.000 0.447 406 A N -0.491 122.344 122.820 0.026 0.000 1.898 406 A HA 0.030 4.349 4.320 -0.000 0.000 0.216 406 A C 2.144 179.738 177.584 0.017 0.000 1.181 406 A CA 1.622 53.671 52.037 0.020 0.000 0.620 406 A CB -0.822 18.188 19.000 0.017 0.000 0.819 406 A HN 0.341 nan 8.150 nan 0.000 0.442 407 V N 0.125 120.050 119.914 0.017 0.000 2.490 407 V HA -0.242 3.877 4.120 -0.000 0.000 0.250 407 V C 2.365 178.468 176.094 0.015 0.000 1.061 407 V CA 2.229 64.538 62.300 0.015 0.000 1.064 407 V CB -0.682 31.149 31.823 0.015 0.000 0.670 407 V HN 0.630 nan 8.190 nan 0.000 0.461 408 E N -0.378 119.833 120.200 0.018 0.000 2.112 408 E HA -0.118 4.232 4.350 -0.000 0.000 0.190 408 E C 1.436 178.045 176.600 0.015 0.000 0.979 408 E CA 1.127 57.537 56.400 0.017 0.000 0.814 408 E CB 0.117 29.828 29.700 0.020 0.000 0.762 408 E HN 0.654 nan 8.360 nan 0.000 0.460 409 E N -0.988 119.220 120.200 0.015 0.000 2.801 409 E HA 0.219 4.569 4.350 -0.000 0.000 0.212 409 E C 0.069 176.677 176.600 0.013 0.000 0.963 409 E CA 0.088 56.495 56.400 0.013 0.000 1.247 409 E CB 1.695 31.402 29.700 0.012 0.000 1.076 409 E HN 0.233 nan 8.360 nan 0.000 0.504 410 G N 1.114 109.922 108.800 0.013 0.000 2.681 410 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.220 410 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.220 410 G C -0.264 174.645 174.900 0.014 0.000 1.353 410 G CA -0.431 44.676 45.100 0.013 0.000 0.872 410 G HN 0.565 nan 8.290 nan 0.000 0.557 411 V N -2.741 117.181 119.914 0.013 0.000 3.040 411 V HA 0.990 5.110 4.120 -0.000 0.000 0.312 411 V C 0.573 176.676 176.094 0.014 0.000 1.115 411 V CA 0.151 62.459 62.300 0.013 0.000 0.998 411 V CB 1.300 33.130 31.823 0.012 0.000 1.042 411 V HN 2.474 nan 8.190 nan 0.000 0.433 412 V N -1.160 118.763 119.914 0.014 0.000 3.167 412 V HA 1.016 5.136 4.120 -0.000 0.000 0.310 412 V C 0.455 176.556 176.094 0.013 0.000 1.207 412 V CA -0.752 61.557 62.300 0.016 0.000 1.059 412 V CB 1.202 33.035 31.823 0.016 0.000 1.079 412 V HN 2.102 nan 8.190 nan 0.000 0.446 413 A N 0.519 123.348 122.820 0.015 0.000 2.546 413 A HA 0.644 4.964 4.320 -0.000 0.000 0.243 413 A C 0.831 178.416 177.584 0.002 0.000 1.063 413 A CA 0.696 52.737 52.037 0.007 0.000 0.757 413 A CB -0.513 18.493 19.000 0.011 0.000 0.991 413 A HN 1.944 nan 8.150 nan 0.000 0.503 414 G N 0.570 109.366 108.800 -0.007 0.000 2.574 414 G HA2 0.519 4.479 3.960 -0.000 0.000 0.248 414 G HA3 0.519 4.479 3.960 -0.000 0.000 0.248 414 G C 1.143 176.035 174.900 -0.013 0.000 1.422 414 G CA -0.083 45.012 45.100 -0.008 0.000 1.051 414 G HN 2.216 nan 8.290 nan 0.000 0.560 415 G N -1.934 106.857 108.800 -0.014 0.000 2.187 415 G HA2 0.196 4.156 3.960 -0.000 0.000 0.261 415 G HA3 0.196 4.156 3.960 -0.000 0.000 0.261 415 G C 1.526 176.429 174.900 0.005 0.000 1.000 415 G CA 1.307 46.400 45.100 -0.012 0.000 0.718 415 G HN 2.471 nan 8.290 nan 0.000 0.519 416 G N -2.371 106.432 108.800 0.006 0.000 2.162 416 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.260 416 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.260 416 G C 1.757 176.665 174.900 0.014 0.000 0.976 416 G CA 1.836 46.943 45.100 0.012 0.000 0.655 416 G HN 2.224 nan 8.290 nan 0.000 0.533 417 V N -1.688 118.232 119.914 0.011 0.000 2.951 417 V HA 0.487 4.606 4.120 -0.000 0.000 0.255 417 V C 2.659 178.766 176.094 0.022 0.000 1.088 417 V CA 1.810 64.120 62.300 0.015 0.000 1.109 417 V CB -0.267 31.557 31.823 0.002 0.000 0.724 417 V HN 1.331 nan 8.190 nan 0.000 0.471 418 A N 0.858 123.689 122.820 0.019 0.000 1.877 418 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 418 A C 2.212 179.809 177.584 0.023 0.000 1.186 418 A CA 2.256 54.306 52.037 0.022 0.000 0.620 418 A CB -0.733 18.278 19.000 0.018 0.000 0.822 418 A HN 0.587 nan 8.150 nan 0.000 0.443 419 L N -0.988 120.246 121.223 0.019 0.000 2.083 419 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 419 L C 2.516 179.399 176.870 0.021 0.000 1.083 419 L CA 1.314 56.164 54.840 0.018 0.000 0.752 419 L CB -0.326 41.742 42.059 0.016 0.000 0.899 419 L HN 0.467 nan 8.230 nan 0.000 0.433 420 I N -0.469 120.115 120.570 0.023 0.000 2.439 420 I HA -0.277 3.893 4.170 -0.000 0.000 0.251 420 I C 2.764 178.902 176.117 0.034 0.000 1.139 420 I CA 0.762 62.078 61.300 0.027 0.000 1.438 420 I CB 0.043 38.060 38.000 0.028 0.000 1.085 420 I HN 0.195 nan 8.210 nan 0.000 0.427 421 R N 0.419 120.943 120.500 0.040 0.000 2.066 421 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 421 R C 2.034 178.356 176.300 0.036 0.000 1.131 421 R CA 2.010 58.138 56.100 0.048 0.000 0.955 421 R CB -1.062 29.270 30.300 0.054 0.000 0.851 421 R HN 0.203 nan 8.270 nan 0.000 0.432 422 V N 0.968 120.899 119.914 0.029 0.000 2.332 422 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 422 V C 2.312 178.418 176.094 0.019 0.000 1.055 422 V CA 2.032 64.345 62.300 0.022 0.000 1.038 422 V CB -0.838 30.995 31.823 0.017 0.000 0.651 422 V HN 0.582 nan 8.190 nan 0.000 0.450 423 A N 0.342 123.173 122.820 0.019 0.000 1.902 423 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 423 A C 2.548 180.143 177.584 0.018 0.000 1.181 423 A CA 2.240 54.286 52.037 0.016 0.000 0.623 423 A CB -0.880 18.129 19.000 0.016 0.000 0.818 423 A HN 0.713 nan 8.150 nan 0.000 0.443 424 S N 0.003 115.717 115.700 0.024 0.000 2.419 424 S HA -0.185 4.285 4.470 -0.000 0.000 0.235 424 S C 1.661 176.273 174.600 0.021 0.000 1.019 424 S CA 1.618 59.833 58.200 0.025 0.000 0.982 424 S CB -0.394 62.827 63.200 0.034 0.000 0.789 424 S HN 0.621 nan 8.310 nan 0.000 0.490 425 K N 0.523 120.936 120.400 0.020 0.000 2.365 425 K HA 0.260 4.579 4.320 -0.000 0.000 0.197 425 K C 0.969 177.576 176.600 0.012 0.000 1.042 425 K CA 0.445 56.742 56.287 0.017 0.000 0.987 425 K CB -0.148 32.363 32.500 0.018 0.000 0.779 425 K HN 0.431 nan 8.250 nan 0.000 0.484 426 L N 0.478 121.708 121.223 0.011 0.000 2.728 426 L HA 0.203 4.543 4.340 -0.000 0.000 0.235 426 L C 1.802 178.676 176.870 0.007 0.000 1.197 426 L CA -0.326 54.519 54.840 0.008 0.000 0.992 426 L CB 0.012 42.075 42.059 0.007 0.000 1.263 426 L HN 0.050 nan 8.230 nan 0.000 0.484 427 A N 0.150 122.975 122.820 0.008 0.000 1.948 427 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 427 A C 1.653 179.240 177.584 0.005 0.000 1.177 427 A CA 1.797 53.838 52.037 0.007 0.000 0.636 427 A CB -0.191 18.814 19.000 0.008 0.000 0.815 427 A HN 0.382 nan 8.150 nan 0.000 0.449 428 D N -1.031 119.372 120.400 0.005 0.000 2.339 428 D HA 0.151 4.791 4.640 -0.000 0.000 0.217 428 D C 0.184 176.486 176.300 0.003 0.000 1.050 428 D CA -0.208 53.794 54.000 0.004 0.000 0.856 428 D CB -0.085 40.717 40.800 0.003 0.000 0.922 428 D HN 0.338 nan 8.370 nan 0.000 0.518 429 L N 1.934 123.159 121.223 0.003 0.000 2.455 429 L HA 0.113 4.452 4.340 -0.000 0.000 0.272 429 L C 0.123 176.994 176.870 0.002 0.000 1.174 429 L CA 0.481 55.322 54.840 0.003 0.000 0.869 429 L CB 0.156 42.217 42.059 0.003 0.000 1.130 429 L HN -0.210 nan 8.230 nan 0.000 0.474 430 R N 3.267 123.768 120.500 0.001 0.000 2.867 430 R HA 0.718 5.058 4.340 -0.000 0.000 0.268 430 R C -0.240 176.060 176.300 0.001 0.000 1.014 430 R CA -0.387 55.714 56.100 0.001 0.000 0.946 430 R CB 1.495 31.796 30.300 0.001 0.000 1.208 430 R HN 0.813 nan 8.270 nan 0.000 0.477 431 G N -0.350 108.451 108.800 0.001 0.000 2.971 431 G HA2 0.216 4.176 3.960 -0.000 0.000 0.235 431 G HA3 0.216 4.176 3.960 -0.000 0.000 0.235 431 G C 0.081 174.981 174.900 0.000 0.000 1.351 431 G CA -0.278 44.822 45.100 0.000 0.000 1.039 431 G HN 0.421 nan 8.290 nan 0.000 0.563 432 Q N -0.655 119.145 119.800 0.000 0.000 2.311 432 Q HA 0.089 4.429 4.340 -0.000 0.000 0.203 432 Q C 0.261 176.261 176.000 0.001 0.000 0.954 432 Q CA 1.069 56.872 55.803 0.000 0.000 0.885 432 Q CB 0.048 28.786 28.738 0.000 0.000 0.963 432 Q HN 0.624 nan 8.270 nan 0.000 0.471 433 N N -2.206 116.494 118.700 0.001 0.000 3.039 433 N HA 0.054 4.794 4.740 -0.000 0.000 0.257 433 N C -0.089 175.422 175.510 0.001 0.000 1.497 433 N CA -0.543 52.507 53.050 0.001 0.000 0.861 433 N CB 0.518 39.006 38.487 0.001 0.000 1.479 433 N HN -0.309 nan 8.380 nan 0.000 0.547 434 E N -0.287 119.914 120.200 0.001 0.000 2.077 434 E HA -0.130 4.219 4.350 -0.000 0.000 0.193 434 E C 0.501 177.102 176.600 0.002 0.000 0.989 434 E CA 1.592 57.992 56.400 0.001 0.000 0.800 434 E CB -0.380 29.321 29.700 0.001 0.000 0.746 434 E HN 0.596 nan 8.360 nan 0.000 0.452 435 D N 0.207 120.608 120.400 0.002 0.000 2.104 435 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 435 D C 1.939 178.240 176.300 0.002 0.000 0.994 435 D CA 1.131 55.132 54.000 0.002 0.000 0.830 435 D CB -0.213 40.588 40.800 0.003 0.000 0.959 435 D HN 0.404 nan 8.370 nan 0.000 0.452 436 Q N 0.247 120.048 119.800 0.002 0.000 2.124 436 Q HA -0.110 4.230 4.340 -0.000 0.000 0.202 436 Q C 1.895 177.896 176.000 0.002 0.000 0.977 436 Q CA 0.674 56.478 55.803 0.002 0.000 0.850 436 Q CB -0.084 28.655 28.738 0.001 0.000 0.901 436 Q HN 0.271 nan 8.270 nan 0.000 0.429 437 N N 0.328 119.029 118.700 0.002 0.000 2.120 437 N HA -0.128 4.612 4.740 -0.000 0.000 0.188 437 N C 1.921 177.432 175.510 0.002 0.000 1.024 437 N CA 1.093 54.144 53.050 0.002 0.000 0.852 437 N CB -0.311 38.177 38.487 0.002 0.000 1.003 437 N HN 0.060 nan 8.380 nan 0.000 0.424 438 V N 0.978 120.894 119.914 0.002 0.000 2.343 438 V HA -0.159 3.961 4.120 -0.000 0.000 0.247 438 V C 2.472 178.568 176.094 0.003 0.000 1.051 438 V CA 2.004 64.305 62.300 0.003 0.000 1.036 438 V CB -1.252 30.573 31.823 0.003 0.000 0.654 438 V HN 0.342 nan 8.190 nan 0.000 0.451 439 G N -0.003 108.799 108.800 0.003 0.000 2.440 439 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.218 439 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.218 439 G C 1.564 176.466 174.900 0.003 0.000 1.154 439 G CA 1.144 46.246 45.100 0.004 0.000 0.767 439 G HN 0.492 nan 8.290 nan 0.000 0.552 440 I N 0.295 120.867 120.570 0.003 0.000 2.226 440 I HA -0.148 4.022 4.170 -0.000 0.000 0.245 440 I C 2.688 178.807 176.117 0.004 0.000 1.100 440 I CA 1.044 62.346 61.300 0.003 0.000 1.374 440 I CB -0.144 37.857 38.000 0.002 0.000 1.057 440 I HN 0.034 nan 8.210 nan 0.000 0.413 441 K N 0.566 120.968 120.400 0.004 0.000 2.097 441 K HA -0.057 4.262 4.320 -0.000 0.000 0.205 441 K C 2.147 178.750 176.600 0.005 0.000 1.050 441 K CA 0.922 57.212 56.287 0.004 0.000 0.938 441 K CB -0.603 31.899 32.500 0.004 0.000 0.718 441 K HN 0.212 nan 8.250 nan 0.000 0.442 442 V N 1.732 121.648 119.914 0.005 0.000 2.287 442 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 442 V C 2.491 178.588 176.094 0.006 0.000 1.053 442 V CA 2.086 64.389 62.300 0.005 0.000 1.027 442 V CB -0.789 31.038 31.823 0.005 0.000 0.646 442 V HN 0.294 nan 8.190 nan 0.000 0.447 443 A N -0.322 122.501 122.820 0.006 0.000 1.873 443 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 443 A C 2.198 179.786 177.584 0.007 0.000 1.186 443 A CA 1.726 53.766 52.037 0.006 0.000 0.616 443 A CB -0.557 18.445 19.000 0.004 0.000 0.823 443 A HN 0.492 nan 8.150 nan 0.000 0.442 444 L N -1.304 119.923 121.223 0.006 0.000 2.083 444 L HA -0.181 4.158 4.340 -0.000 0.000 0.209 444 L C 2.844 179.719 176.870 0.008 0.000 1.083 444 L CA 1.593 56.438 54.840 0.008 0.000 0.752 444 L CB -0.514 41.549 42.059 0.008 0.000 0.899 444 L HN 0.409 nan 8.230 nan 0.000 0.433 445 R N 0.009 120.513 120.500 0.007 0.000 2.075 445 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 445 R C 2.394 178.698 176.300 0.008 0.000 1.126 445 R CA 1.333 57.438 56.100 0.007 0.000 0.963 445 R CB -0.228 30.076 30.300 0.006 0.000 0.858 445 R HN 0.347 nan 8.270 nan 0.000 0.435 446 A N 0.525 123.350 122.820 0.008 0.000 1.972 446 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 446 A C 2.014 179.604 177.584 0.010 0.000 1.169 446 A CA 1.219 53.261 52.037 0.009 0.000 0.635 446 A CB -0.368 18.638 19.000 0.010 0.000 0.810 446 A HN 0.288 nan 8.150 nan 0.000 0.446 447 M N -0.582 119.024 119.600 0.011 0.000 2.629 447 M HA -0.120 4.360 4.480 -0.000 0.000 0.257 447 M C 1.365 177.673 176.300 0.012 0.000 1.071 447 M CA 1.015 56.322 55.300 0.012 0.000 1.077 447 M CB -0.213 32.394 32.600 0.012 0.000 1.423 447 M HN 0.469 nan 8.290 nan 0.000 0.508 448 E N -0.097 120.109 120.200 0.011 0.000 2.400 448 E HA 0.059 4.408 4.350 -0.000 0.000 0.195 448 E C 2.064 178.668 176.600 0.007 0.000 1.012 448 E CA 0.343 56.748 56.400 0.009 0.000 0.875 448 E CB 0.142 29.847 29.700 0.008 0.000 0.859 448 E HN 0.482 nan 8.360 nan 0.000 0.498 449 A N 2.478 125.302 122.820 0.008 0.000 1.869 449 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 449 A C -0.357 177.232 177.584 0.007 0.000 1.203 449 A CA 1.541 53.582 52.037 0.007 0.000 0.638 449 A CB -1.582 17.423 19.000 0.009 0.000 0.831 449 A HN 0.124 nan 8.150 nan 0.000 0.450 450 P HA -0.198 nan 4.420 nan 0.000 0.213 450 P C 1.880 179.186 177.300 0.011 0.000 1.170 450 P CA 1.199 64.306 63.100 0.011 0.000 0.902 450 P CB -0.175 31.532 31.700 0.013 0.000 0.789 451 L N -0.893 120.337 121.223 0.011 0.000 1.990 451 L HA -0.258 4.082 4.340 -0.000 0.000 0.213 451 L C 2.537 179.410 176.870 0.004 0.000 1.072 451 L CA 1.883 56.731 54.840 0.013 0.000 0.755 451 L CB -0.378 41.687 42.059 0.011 0.000 0.889 451 L HN -0.153 nan 8.230 nan 0.000 0.432 452 R N -0.701 119.797 120.500 -0.003 0.000 2.096 452 R HA -0.284 4.056 4.340 -0.000 0.000 0.240 452 R C 2.302 178.599 176.300 -0.004 0.000 1.139 452 R CA 2.109 58.203 56.100 -0.011 0.000 0.952 452 R CB -0.421 29.875 30.300 -0.008 0.000 0.854 452 R HN 0.404 nan 8.270 nan 0.000 0.436 453 Q N 0.905 120.706 119.800 0.002 0.000 2.050 453 Q HA -0.116 4.224 4.340 -0.000 0.000 0.202 453 Q C 1.856 177.862 176.000 0.009 0.000 0.980 453 Q CA 1.652 57.457 55.803 0.005 0.000 0.840 453 Q CB -0.185 28.557 28.738 0.006 0.000 0.898 453 Q HN 0.374 nan 8.270 nan 0.000 0.424 454 I N -0.661 119.918 120.570 0.015 0.000 2.163 454 I HA -0.297 3.873 4.170 -0.000 0.000 0.243 454 I C 2.065 178.204 176.117 0.038 0.000 1.085 454 I CA 1.180 62.495 61.300 0.025 0.000 1.347 454 I CB -0.410 37.609 38.000 0.032 0.000 1.044 454 I HN 0.090 nan 8.210 nan 0.000 0.408 455 V N 0.616 120.550 119.914 0.033 0.000 2.407 455 V HA -0.260 3.859 4.120 -0.000 0.000 0.248 455 V C 2.357 178.458 176.094 0.013 0.000 1.055 455 V CA 1.523 63.839 62.300 0.027 0.000 1.049 455 V CB -0.476 31.310 31.823 -0.061 0.000 0.662 455 V HN 0.353 nan 8.190 nan 0.000 0.455 456 L N 0.751 121.976 121.223 0.004 0.000 2.046 456 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 456 L C 2.179 179.055 176.870 0.010 0.000 1.077 456 L CA 1.928 56.770 54.840 0.003 0.000 0.747 456 L CB -0.820 41.239 42.059 0.000 0.000 0.896 456 L HN 0.301 nan 8.230 nan 0.000 0.432 457 N N -1.077 117.631 118.700 0.013 0.000 2.289 457 N HA -0.165 4.574 4.740 -0.000 0.000 0.184 457 N C 1.729 177.249 175.510 0.017 0.000 1.016 457 N CA 1.597 54.655 53.050 0.012 0.000 0.872 457 N CB -0.753 37.740 38.487 0.011 0.000 0.973 457 N HN 0.421 nan 8.380 nan 0.000 0.433 458 C N -0.550 118.767 119.300 0.028 0.000 2.522 458 C HA 0.255 4.714 4.460 -0.000 0.000 0.271 458 C C 1.576 176.586 174.990 0.033 0.000 1.425 458 C CA 0.347 59.387 59.018 0.037 0.000 1.751 458 C CB -1.225 26.558 27.740 0.071 0.000 1.775 458 C HN 0.627 nan 8.230 nan 0.000 0.557 459 G N 1.156 109.971 108.800 0.024 0.000 2.149 459 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.235 459 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.235 459 G C -0.313 174.598 174.900 0.020 0.000 1.018 459 G CA 0.116 45.227 45.100 0.018 0.000 0.728 459 G HN 0.508 nan 8.290 nan 0.000 0.508 460 E N -0.175 120.035 120.200 0.016 0.000 2.316 460 E HA 0.440 4.790 4.350 -0.000 0.000 0.258 460 E C -0.005 176.583 176.600 -0.021 0.000 0.952 460 E CA -0.864 55.538 56.400 0.003 0.000 0.818 460 E CB 0.840 30.541 29.700 0.001 0.000 1.260 460 E HN 0.440 nan 8.360 nan 0.000 0.416 461 E N 1.781 121.961 120.200 -0.033 0.000 2.052 461 E HA 0.113 4.463 4.350 -0.000 0.000 0.283 461 E C -1.714 174.850 176.600 -0.059 0.000 1.071 461 E CA -1.569 54.811 56.400 -0.034 0.000 0.851 461 E CB 0.808 30.494 29.700 -0.022 0.000 1.066 461 E HN 0.109 nan 8.360 nan 0.000 0.396 462 P HA -0.234 nan 4.420 nan 0.000 0.216 462 P C 1.021 178.292 177.300 -0.050 0.000 1.157 462 P CA 1.275 64.342 63.100 -0.055 0.000 0.880 462 P CB 0.307 31.989 31.700 -0.030 0.000 0.791 463 S N -0.775 114.906 115.700 -0.032 0.000 2.370 463 S HA -0.127 4.342 4.470 -0.000 0.000 0.226 463 S C 2.018 176.603 174.600 -0.024 0.000 1.033 463 S CA 1.459 59.646 58.200 -0.022 0.000 1.011 463 S CB -1.354 61.837 63.200 -0.014 0.000 0.852 463 S HN -0.033 nan 8.310 nan 0.000 0.457 464 V N 1.582 121.478 119.914 -0.031 0.000 2.261 464 V HA -0.141 3.979 4.120 -0.000 0.000 0.246 464 V C 2.380 178.460 176.094 -0.025 0.000 1.047 464 V CA 1.519 63.804 62.300 -0.025 0.000 1.015 464 V CB -0.876 30.934 31.823 -0.021 0.000 0.642 464 V HN 0.346 nan 8.190 nan 0.000 0.446 465 V N 0.428 120.295 119.914 -0.079 0.000 2.295 465 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 465 V C 2.756 178.831 176.094 -0.032 0.000 1.049 465 V CA 2.045 64.271 62.300 -0.123 0.000 1.024 465 V CB -1.280 30.250 31.823 -0.489 0.000 0.648 465 V HN 0.554 nan 8.190 nan 0.000 0.447 466 A N 0.331 123.125 122.820 -0.044 0.000 1.908 466 A HA -0.324 3.995 4.320 -0.000 0.000 0.218 466 A C 2.076 179.675 177.584 0.024 0.000 1.181 466 A CA 2.548 54.581 52.037 -0.006 0.000 0.627 466 A CB -0.895 18.098 19.000 -0.011 0.000 0.818 466 A HN 0.606 nan 8.150 nan 0.000 0.445 467 N N -0.714 117.996 118.700 0.015 0.000 2.058 467 N HA -0.121 4.619 4.740 -0.000 0.000 0.191 467 N C 1.769 177.302 175.510 0.039 0.000 1.037 467 N CA 2.324 55.386 53.050 0.020 0.000 0.848 467 N CB -0.485 38.004 38.487 0.004 0.000 1.021 467 N HN 0.419 nan 8.380 nan 0.000 0.422 468 T N -0.217 114.362 114.554 0.042 0.000 2.684 468 T HA -0.112 4.237 4.350 -0.000 0.000 0.267 468 T C 1.981 176.784 174.700 0.170 0.000 1.036 468 T CA 1.422 63.545 62.100 0.039 0.000 1.148 468 T CB -0.545 68.264 68.868 -0.098 0.000 0.863 468 T HN 0.014 nan 8.240 nan 0.000 0.436 469 V N 1.516 121.555 119.914 0.209 0.000 2.332 469 V HA -0.201 3.918 4.120 -0.000 0.000 0.248 469 V C 2.479 178.689 176.094 0.192 0.000 1.055 469 V CA 1.613 64.037 62.300 0.208 0.000 1.038 469 V CB -0.511 31.381 31.823 0.115 0.000 0.651 469 V HN 0.477 nan 8.190 nan 0.000 0.450 470 K N 0.093 120.565 120.400 0.120 0.000 2.152 470 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 470 K C 2.192 178.849 176.600 0.095 0.000 1.048 470 K CA 1.349 57.691 56.287 0.092 0.000 0.933 470 K CB -0.558 31.975 32.500 0.055 0.000 0.721 470 K HN 0.591 nan 8.250 nan 0.000 0.447 471 G N 1.113 109.974 108.800 0.101 0.000 2.422 471 G HA2 -0.119 3.840 3.960 -0.000 0.000 0.218 471 G HA3 -0.119 3.840 3.960 -0.000 0.000 0.218 471 G C 0.861 175.796 174.900 0.059 0.000 1.140 471 G CA 0.728 45.865 45.100 0.062 0.000 0.775 471 G HN 0.386 nan 8.290 nan 0.000 0.545 472 G N -0.765 108.135 108.800 0.166 0.000 2.525 472 G HA2 0.451 4.411 3.960 -0.000 0.000 0.276 472 G HA3 0.451 4.411 3.960 -0.000 0.000 0.276 472 G C -0.721 174.244 174.900 0.109 0.000 1.388 472 G CA -0.277 44.871 45.100 0.081 0.000 1.050 472 G HN 0.201 nan 8.290 nan 0.000 0.520 473 D N -2.089 118.369 120.400 0.097 0.000 2.559 473 D HA 0.500 5.140 4.640 -0.000 0.000 0.250 473 D C 0.863 177.238 176.300 0.125 0.000 1.135 473 D CA 0.585 54.637 54.000 0.087 0.000 0.955 473 D CB 1.669 42.483 40.800 0.024 0.000 1.442 473 D HN 0.840 nan 8.370 nan 0.000 0.471 474 G N 1.141 109.994 108.800 0.088 0.000 2.627 474 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.312 474 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.312 474 G C 0.306 175.270 174.900 0.106 0.000 1.299 474 G CA 0.520 45.670 45.100 0.083 0.000 0.989 474 G HN 0.584 nan 8.290 nan 0.000 0.547 475 N N 0.129 118.890 118.700 0.102 0.000 2.375 475 N HA 0.322 5.062 4.740 -0.000 0.000 0.220 475 N C -0.033 175.553 175.510 0.127 0.000 1.170 475 N CA 0.076 53.181 53.050 0.091 0.000 0.833 475 N CB 0.102 38.624 38.487 0.059 0.000 1.069 475 N HN 0.537 nan 8.380 nan 0.000 0.479 476 Y N 0.580 120.912 120.300 0.054 0.000 2.359 476 Y HA 0.534 5.084 4.550 -0.000 0.000 0.334 476 Y C 0.700 176.664 175.900 0.107 0.000 1.058 476 Y CA -0.249 57.898 58.100 0.078 0.000 1.244 476 Y CB 0.167 38.673 38.460 0.077 0.000 1.187 476 Y HN 0.052 nan 8.280 nan 0.000 0.510 477 G N 4.087 112.593 108.800 -0.490 0.000 2.846 477 G HA2 0.241 4.200 3.960 -0.000 0.000 0.299 477 G HA3 0.241 4.200 3.960 -0.000 0.000 0.299 477 G C -2.382 172.308 174.900 -0.349 0.000 1.242 477 G CA -0.879 43.999 45.100 -0.369 0.000 0.800 477 G HN 0.563 nan 8.290 nan 0.000 0.538 478 Y N 1.492 121.558 120.300 -0.390 0.000 2.328 478 Y HA 0.569 5.119 4.550 -0.000 0.000 0.336 478 Y C -0.188 175.498 175.900 -0.357 0.000 0.960 478 Y CA -1.364 56.387 58.100 -0.581 0.000 1.134 478 Y CB 1.591 39.667 38.460 -0.639 0.000 1.166 478 Y HN 0.397 nan 8.280 nan 0.000 0.464 479 N N 5.109 123.350 118.700 -0.764 0.000 2.508 479 N HA 0.128 4.868 4.740 -0.000 0.000 0.253 479 N C 0.692 175.666 175.510 -0.894 0.000 1.145 479 N CA 0.685 53.383 53.050 -0.586 0.000 0.973 479 N CB 1.080 39.332 38.487 -0.393 0.000 1.305 479 N HN 0.943 nan 8.380 nan 0.000 0.506 480 A N 3.799 126.233 122.820 -0.643 0.000 1.986 480 A HA -0.155 4.164 4.320 -0.000 0.000 0.220 480 A C 2.099 179.512 177.584 -0.285 0.000 1.171 480 A CA 1.906 53.692 52.037 -0.418 0.000 0.640 480 A CB -0.572 18.396 19.000 -0.053 0.000 0.811 480 A HN 0.695 nan 8.150 nan 0.000 0.451 481 A N -0.809 121.868 122.820 -0.238 0.000 1.930 481 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 481 A C 2.230 179.720 177.584 -0.158 0.000 1.175 481 A CA 2.312 54.257 52.037 -0.153 0.000 0.627 481 A CB -0.759 18.170 19.000 -0.119 0.000 0.815 481 A HN 0.888 nan 8.150 nan 0.000 0.443 482 T N -4.332 110.087 114.554 -0.226 0.000 3.040 482 T HA 0.279 4.629 4.350 -0.000 0.000 0.266 482 T C 0.223 174.803 174.700 -0.200 0.000 1.005 482 T CA 0.665 62.661 62.100 -0.173 0.000 0.906 482 T CB -0.213 68.570 68.868 -0.142 0.000 1.082 482 T HN 0.557 nan 8.240 nan 0.000 0.531 483 E N 0.897 120.875 120.200 -0.370 0.000 2.722 483 E HA -0.141 4.209 4.350 -0.000 0.000 0.265 483 E C -0.860 175.609 176.600 -0.218 0.000 1.081 483 E CA 0.610 56.820 56.400 -0.317 0.000 0.781 483 E CB -1.126 28.576 29.700 0.005 0.000 1.372 483 E HN 0.612 nan 8.360 nan 0.000 0.423 484 E N 0.106 120.104 120.200 -0.337 0.000 2.179 484 E HA 0.353 4.703 4.350 -0.000 0.000 0.275 484 E C -0.477 176.018 176.600 -0.174 0.000 0.945 484 E CA -0.546 55.785 56.400 -0.115 0.000 0.792 484 E CB 0.801 30.461 29.700 -0.067 0.000 1.125 484 E HN 0.064 nan 8.360 nan 0.000 0.397 485 Y N 0.362 120.680 120.300 0.031 0.000 2.320 485 Y HA 0.602 5.152 4.550 -0.000 0.000 0.324 485 Y C 1.176 177.106 175.900 0.050 0.000 1.190 485 Y CA 0.306 58.403 58.100 -0.004 0.000 1.215 485 Y CB 1.874 40.397 38.460 0.105 0.000 1.221 485 Y HN 0.665 nan 8.280 nan 0.000 0.486 486 G N 1.109 109.978 108.800 0.115 0.000 2.335 486 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.291 486 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.291 486 G C -1.766 173.235 174.900 0.168 0.000 1.261 486 G CA -1.181 44.060 45.100 0.234 0.000 0.871 486 G HN 0.505 nan 8.290 nan 0.000 0.491 487 N N 1.152 119.944 118.700 0.153 0.000 2.411 487 N HA 0.108 4.848 4.740 -0.000 0.000 0.259 487 N C 1.708 177.240 175.510 0.036 0.000 1.103 487 N CA -0.477 52.640 53.050 0.112 0.000 0.954 487 N CB 0.826 39.371 38.487 0.096 0.000 1.085 487 N HN 0.361 nan 8.380 nan 0.000 0.485 488 M N 3.574 123.179 119.600 0.009 0.000 2.106 488 M HA -0.188 4.292 4.480 -0.000 0.000 0.259 488 M C 1.694 177.989 176.300 -0.010 0.000 1.068 488 M CA 1.213 56.499 55.300 -0.023 0.000 1.100 488 M CB -0.651 31.933 32.600 -0.027 0.000 1.351 488 M HN 0.561 nan 8.290 nan 0.000 0.404 489 I N 0.418 120.993 120.570 0.008 0.000 2.179 489 I HA -0.272 3.898 4.170 -0.000 0.000 0.242 489 I C 1.921 178.042 176.117 0.006 0.000 1.088 489 I CA 1.479 62.783 61.300 0.008 0.000 1.357 489 I CB -1.659 36.350 38.000 0.016 0.000 1.051 489 I HN 0.243 nan 8.210 nan 0.000 0.409 490 D N 0.773 121.181 120.400 0.014 0.000 2.144 490 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 490 D C 2.167 178.467 176.300 0.001 0.000 0.984 490 D CA 1.164 55.171 54.000 0.012 0.000 0.834 490 D CB -0.201 40.613 40.800 0.023 0.000 0.955 490 D HN 0.342 nan 8.370 nan 0.000 0.465 491 M N -0.436 119.159 119.600 -0.008 0.000 2.682 491 M HA 0.121 4.600 4.480 -0.000 0.000 0.235 491 M C 0.982 177.264 176.300 -0.030 0.000 1.114 491 M CA 0.499 55.784 55.300 -0.025 0.000 1.053 491 M CB 0.229 32.802 32.600 -0.047 0.000 1.599 491 M HN 0.051 nan 8.290 nan 0.000 0.520 492 G N 2.098 110.886 108.800 -0.020 0.000 2.198 492 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.260 492 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.260 492 G C -0.036 174.849 174.900 -0.025 0.000 1.025 492 G CA -0.106 44.982 45.100 -0.019 0.000 0.769 492 G HN 0.554 nan 8.290 nan 0.000 0.507 493 I N 0.760 121.312 120.570 -0.031 0.000 2.460 493 I HA 0.504 4.674 4.170 -0.000 0.000 0.277 493 I C 0.244 176.347 176.117 -0.024 0.000 1.057 493 I CA -0.903 60.376 61.300 -0.036 0.000 1.179 493 I CB 0.496 38.459 38.000 -0.060 0.000 1.329 493 I HN 0.218 nan 8.210 nan 0.000 0.478 494 L N 2.864 124.079 121.223 -0.014 0.000 2.322 494 L HA 0.825 5.165 4.340 -0.000 0.000 0.252 494 L C -1.109 175.761 176.870 0.000 0.000 1.055 494 L CA -0.688 54.149 54.840 -0.005 0.000 0.849 494 L CB 1.408 43.467 42.059 0.000 0.000 1.446 494 L HN 0.030 nan 8.230 nan 0.000 0.416 495 D N -0.818 119.585 120.400 0.006 0.000 2.857 495 D HA 0.429 5.068 4.640 -0.000 0.000 0.227 495 D C -2.831 173.477 176.300 0.014 0.000 1.192 495 D CA -1.080 52.926 54.000 0.010 0.000 0.857 495 D CB 2.784 43.591 40.800 0.011 0.000 1.645 495 D HN 0.359 nan 8.370 nan 0.000 0.482 496 P HA 0.074 nan 4.420 nan 0.000 0.267 496 P C 0.880 178.192 177.300 0.019 0.000 1.205 496 P CA 0.102 63.213 63.100 0.019 0.000 0.765 496 P CB 0.616 32.331 31.700 0.025 0.000 0.828 497 T N 2.561 117.125 114.554 0.016 0.000 2.760 497 T HA -0.237 4.113 4.350 -0.000 0.000 0.269 497 T C 1.601 176.310 174.700 0.016 0.000 1.047 497 T CA 1.395 63.504 62.100 0.015 0.000 1.139 497 T CB -0.276 68.599 68.868 0.013 0.000 0.855 497 T HN 0.500 nan 8.240 nan 0.000 0.471 498 K N 0.884 121.295 120.400 0.018 0.000 2.097 498 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 498 K C 2.441 179.059 176.600 0.030 0.000 1.049 498 K CA 1.421 57.721 56.287 0.021 0.000 0.933 498 K CB -0.244 32.271 32.500 0.024 0.000 0.717 498 K HN 0.384 nan 8.250 nan 0.000 0.442 499 V N -0.974 118.958 119.914 0.031 0.000 2.379 499 V HA -0.146 3.974 4.120 -0.000 0.000 0.245 499 V C 1.819 177.936 176.094 0.039 0.000 1.044 499 V CA 2.166 64.489 62.300 0.038 0.000 1.036 499 V CB -0.791 31.050 31.823 0.031 0.000 0.664 499 V HN 0.232 nan 8.190 nan 0.000 0.453 500 T N 0.547 115.118 114.554 0.027 0.000 2.708 500 T HA -0.164 4.186 4.350 -0.000 0.000 0.266 500 T C 1.988 176.700 174.700 0.021 0.000 1.037 500 T CA 2.207 64.321 62.100 0.024 0.000 1.146 500 T CB -0.404 68.475 68.868 0.018 0.000 0.865 500 T HN 0.611 nan 8.240 nan 0.000 0.435 501 R N 0.874 121.382 120.500 0.013 0.000 2.083 501 R HA -0.121 4.218 4.340 -0.000 0.000 0.237 501 R C 2.574 178.867 176.300 -0.012 0.000 1.137 501 R CA 1.913 58.010 56.100 -0.004 0.000 0.951 501 R CB -0.420 29.874 30.300 -0.011 0.000 0.851 501 R HN 0.243 nan 8.270 nan 0.000 0.434 502 S N 0.483 116.195 115.700 0.020 0.000 2.348 502 S HA -0.158 4.311 4.470 -0.000 0.000 0.221 502 S C 2.048 176.736 174.600 0.147 0.000 1.033 502 S CA 1.242 59.483 58.200 0.068 0.000 1.010 502 S CB -0.402 62.901 63.200 0.172 0.000 0.891 502 S HN 0.596 nan 8.310 nan 0.000 0.442 503 A N 1.440 124.335 122.820 0.125 0.000 1.892 503 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 503 A C 2.163 179.801 177.584 0.089 0.000 1.188 503 A CA 1.773 53.880 52.037 0.117 0.000 0.631 503 A CB -0.884 18.155 19.000 0.066 0.000 0.822 503 A HN 0.411 nan 8.150 nan 0.000 0.447 504 L N -0.193 121.055 121.223 0.042 0.000 1.994 504 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 504 L C 2.597 179.466 176.870 -0.002 0.000 1.071 504 L CA 2.503 57.355 54.840 0.019 0.000 0.745 504 L CB -0.889 41.172 42.059 0.003 0.000 0.892 504 L HN 0.538 nan 8.230 nan 0.000 0.431 505 Q N -1.715 118.051 119.800 -0.057 0.000 2.061 505 Q HA -0.257 4.083 4.340 -0.000 0.000 0.204 505 Q C 2.208 178.125 176.000 -0.139 0.000 0.984 505 Q CA 2.169 57.889 55.803 -0.139 0.000 0.846 505 Q CB -0.440 28.144 28.738 -0.257 0.000 0.902 505 Q HN 0.512 nan 8.270 nan 0.000 0.421 506 Y N 0.316 120.614 120.300 -0.003 0.000 2.181 506 Y HA -0.195 4.355 4.550 -0.000 0.000 0.288 506 Y C 2.404 178.303 175.900 -0.003 0.000 1.146 506 Y CA 0.953 59.051 58.100 -0.004 0.000 1.164 506 Y CB -0.708 37.748 38.460 -0.007 0.000 0.982 506 Y HN 0.144 nan 8.280 nan 0.000 0.515 507 A N 0.022 122.932 122.820 0.150 0.000 1.858 507 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 507 A C 2.482 180.100 177.584 0.056 0.000 1.190 507 A CA 2.025 54.113 52.037 0.086 0.000 0.617 507 A CB -1.366 17.670 19.000 0.059 0.000 0.827 507 A HN 0.380 nan 8.150 nan 0.000 0.443 508 A N -0.749 122.091 122.820 0.034 0.000 1.978 508 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 508 A C 2.444 180.039 177.584 0.019 0.000 1.170 508 A CA 2.304 54.351 52.037 0.017 0.000 0.636 508 A CB -0.881 18.119 19.000 -0.002 0.000 0.810 508 A HN 0.620 nan 8.150 nan 0.000 0.448 509 S N -0.941 114.776 115.700 0.029 0.000 2.338 509 S HA -0.132 4.338 4.470 -0.000 0.000 0.218 509 S C 1.980 176.608 174.600 0.046 0.000 1.032 509 S CA 1.690 59.910 58.200 0.035 0.000 0.999 509 S CB -0.617 62.617 63.200 0.057 0.000 0.905 509 S HN 0.596 nan 8.310 nan 0.000 0.439 510 V N 1.829 121.782 119.914 0.064 0.000 2.427 510 V HA 0.026 4.146 4.120 -0.000 0.000 0.248 510 V C 2.589 178.704 176.094 0.035 0.000 1.051 510 V CA 1.989 64.318 62.300 0.049 0.000 1.048 510 V CB -1.075 30.778 31.823 0.050 0.000 0.666 510 V HN 0.598 nan 8.190 nan 0.000 0.456 511 A N 0.133 122.973 122.820 0.033 0.000 1.902 511 A HA -0.038 4.282 4.320 -0.000 0.000 0.217 511 A C 2.376 179.972 177.584 0.020 0.000 1.181 511 A CA 1.864 53.916 52.037 0.024 0.000 0.623 511 A CB -1.425 17.588 19.000 0.022 0.000 0.818 511 A HN 0.657 nan 8.150 nan 0.000 0.443 512 G N -0.300 108.512 108.800 0.019 0.000 2.422 512 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.218 512 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.218 512 G C 1.549 176.459 174.900 0.017 0.000 1.146 512 G CA 0.999 46.108 45.100 0.015 0.000 0.769 512 G HN 0.428 nan 8.290 nan 0.000 0.547 513 L N -0.330 120.905 121.223 0.021 0.000 2.027 513 L HA -0.037 4.303 4.340 -0.000 0.000 0.206 513 L C 3.128 180.010 176.870 0.021 0.000 1.074 513 L CA 1.036 55.889 54.840 0.021 0.000 0.745 513 L CB -0.334 41.740 42.059 0.024 0.000 0.898 513 L HN 0.246 nan 8.230 nan 0.000 0.433 514 M N -0.508 119.105 119.600 0.021 0.000 2.086 514 M HA -0.228 4.252 4.480 -0.000 0.000 0.261 514 M C 2.317 178.628 176.300 0.019 0.000 1.067 514 M CA 1.844 57.156 55.300 0.021 0.000 1.116 514 M CB -0.388 32.225 32.600 0.021 0.000 1.348 514 M HN 0.188 nan 8.290 nan 0.000 0.407 515 I N 0.141 120.722 120.570 0.017 0.000 2.423 515 I HA -0.240 3.929 4.170 -0.000 0.000 0.254 515 I C 1.678 177.805 176.117 0.016 0.000 1.151 515 I CA 1.512 62.821 61.300 0.015 0.000 1.421 515 I CB -0.575 37.433 38.000 0.013 0.000 1.079 515 I HN 0.416 nan 8.210 nan 0.000 0.431 516 T N -3.231 111.334 114.554 0.018 0.000 3.251 516 T HA 0.173 4.523 4.350 -0.000 0.000 0.259 516 T C 0.421 175.135 174.700 0.023 0.000 0.998 516 T CA -0.325 61.786 62.100 0.019 0.000 0.905 516 T CB -0.325 68.553 68.868 0.017 0.000 1.067 516 T HN -0.068 nan 8.240 nan 0.000 0.569 517 T N 2.008 116.576 114.554 0.024 0.000 2.795 517 T HA 0.366 4.716 4.350 -0.000 0.000 0.282 517 T C 0.500 175.219 174.700 0.032 0.000 0.980 517 T CA -0.565 61.550 62.100 0.026 0.000 1.012 517 T CB 1.727 70.609 68.868 0.023 0.000 0.936 517 T HN 0.083 nan 8.240 nan 0.000 0.457 518 E N 0.560 120.787 120.200 0.044 0.000 2.465 518 E HA 0.185 4.535 4.350 -0.000 0.000 0.209 518 E C 0.041 176.691 176.600 0.083 0.000 0.951 518 E CA 0.124 56.569 56.400 0.076 0.000 0.997 518 E CB 0.760 30.521 29.700 0.101 0.000 1.025 518 E HN 0.559 nan 8.360 nan 0.000 0.500 519 C N 0.534 119.841 119.300 0.012 0.000 2.985 519 C HA 0.689 5.149 4.460 -0.000 0.000 0.314 519 C C -1.350 173.578 174.990 -0.102 0.000 1.215 519 C CA -0.588 58.351 59.018 -0.131 0.000 1.414 519 C CB 0.572 28.240 27.740 -0.120 0.000 1.842 519 C HN 0.129 nan 8.230 nan 0.000 0.477 520 M N 4.942 124.463 119.600 -0.132 0.000 2.327 520 M HA 0.548 5.028 4.480 -0.000 0.000 0.298 520 M C -1.197 175.159 176.300 0.094 0.000 1.065 520 M CA -0.538 54.794 55.300 0.053 0.000 0.916 520 M CB 2.101 34.851 32.600 0.250 0.000 1.630 520 M HN 0.363 nan 8.290 nan 0.000 0.442 521 V N 1.574 121.506 119.914 0.029 0.000 2.444 521 V HA 0.727 4.847 4.120 -0.000 0.000 0.294 521 V C -0.251 175.789 176.094 -0.091 0.000 1.022 521 V CA -0.366 61.928 62.300 -0.011 0.000 0.850 521 V CB 1.873 33.678 31.823 -0.031 0.000 0.992 521 V HN 0.954 nan 8.190 nan 0.000 0.426 522 T N 2.404 116.854 114.554 -0.174 0.000 2.812 522 T HA 0.460 4.809 4.350 -0.000 0.000 0.294 522 T C -1.041 173.544 174.700 -0.193 0.000 1.159 522 T CA -0.520 61.415 62.100 -0.275 0.000 1.008 522 T CB 1.905 70.416 68.868 -0.595 0.000 1.289 522 T HN 0.674 nan 8.240 nan 0.000 0.514 523 D N 0.984 121.282 120.400 -0.170 0.000 2.344 523 D HA 0.416 5.056 4.640 -0.000 0.000 0.244 523 D C -0.383 175.857 176.300 -0.101 0.000 1.134 523 D CA -0.256 53.680 54.000 -0.106 0.000 0.930 523 D CB 0.414 41.164 40.800 -0.084 0.000 1.175 523 D HN 0.161 nan 8.370 nan 0.000 0.437 524 L N 2.941 124.133 121.223 -0.052 0.000 2.367 524 L HA 0.261 4.601 4.340 -0.000 0.000 0.275 524 L C -1.438 175.413 176.870 -0.032 0.000 1.129 524 L CA -1.262 53.562 54.840 -0.027 0.000 0.839 524 L CB -0.318 41.737 42.059 -0.006 0.000 1.133 524 L HN 0.416 nan 8.230 nan 0.000 0.453 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.087 63.100 -0.021 0.000 0.800 525 P CB 0.000 31.698 31.700 -0.004 0.000 0.726