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 1gru_1_C 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 TDLPK 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 0.000 177.578 177.584 -0.011 0.000 1.274 2 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 2 A CB 0.000 18.989 19.000 -0.019 0.000 0.831 3 A N 1.440 124.256 122.820 -0.006 0.000 2.540 3 A HA 0.514 4.834 4.320 0.000 0.000 0.239 3 A C 0.371 177.953 177.584 -0.003 0.000 1.061 3 A CA 0.427 52.464 52.037 0.001 0.000 0.758 3 A CB -0.100 18.903 19.000 0.006 0.000 0.991 3 A HN 0.639 nan 8.150 nan 0.000 0.502 4 K N 0.775 121.178 120.400 0.005 0.000 2.267 4 K HA 0.513 4.833 4.320 0.000 0.000 0.236 4 K C -1.074 175.545 176.600 0.032 0.000 1.030 4 K CA -0.601 55.688 56.287 0.002 0.000 0.930 4 K CB 1.015 33.517 32.500 0.002 0.000 1.182 4 K HN 0.702 nan 8.250 nan 0.000 0.474 5 D N 0.951 121.381 120.400 0.051 0.000 2.402 5 D HA 0.201 4.841 4.640 0.000 0.000 0.252 5 D C -1.207 175.263 176.300 0.282 0.000 1.294 5 D CA -0.547 53.544 54.000 0.152 0.000 0.948 5 D CB 0.780 41.672 40.800 0.152 0.000 1.202 5 D HN 0.257 nan 8.370 nan 0.000 0.561 6 V N 1.104 121.129 119.914 0.186 0.000 2.509 6 V HA 0.685 4.805 4.120 0.000 0.000 0.284 6 V C -0.335 175.775 176.094 0.028 0.000 1.047 6 V CA -0.358 61.990 62.300 0.080 0.000 0.952 6 V CB 1.399 33.183 31.823 -0.066 0.000 0.988 6 V HN 0.336 nan 8.190 nan 0.000 0.469 7 K N 4.129 124.422 120.400 -0.179 0.000 2.443 7 K HA 0.659 4.979 4.320 0.000 0.000 0.252 7 K C -1.617 174.847 176.600 -0.227 0.000 0.933 7 K CA -0.334 55.821 56.287 -0.221 0.000 0.792 7 K CB 2.131 34.229 32.500 -0.669 0.000 1.185 7 K HN 0.660 nan 8.250 nan 0.000 0.425 8 F N 0.289 120.175 119.950 -0.106 0.000 2.518 8 F HA 0.505 5.032 4.527 0.000 0.000 0.338 8 F C 1.522 177.277 175.800 -0.075 0.000 1.065 8 F CA -0.119 57.840 58.000 -0.068 0.000 1.012 8 F CB 0.497 39.473 39.000 -0.040 0.000 1.297 8 F HN 0.791 nan 8.300 nan 0.000 0.489 9 G N 1.178 110.085 108.800 0.179 0.000 2.551 9 G HA2 -0.500 3.460 3.960 0.000 0.000 0.383 9 G HA3 -0.500 3.460 3.960 0.000 0.000 0.383 9 G C 1.022 175.935 174.900 0.022 0.000 1.370 9 G CA 1.080 46.225 45.100 0.075 0.000 0.940 9 G HN 0.941 nan 8.290 nan 0.000 0.524 10 N N 0.238 118.944 118.700 0.009 0.000 2.073 10 N HA -0.196 4.544 4.740 0.000 0.000 0.199 10 N C 1.746 177.239 175.510 -0.028 0.000 1.023 10 N CA 2.877 55.922 53.050 -0.008 0.000 0.880 10 N CB -0.380 38.103 38.487 -0.008 0.000 1.052 10 N HN 0.584 nan 8.380 nan 0.000 0.449 11 D N -0.040 120.338 120.400 -0.037 0.000 2.156 11 D HA -0.230 4.410 4.640 0.000 0.000 0.190 11 D C 1.936 178.161 176.300 -0.125 0.000 0.998 11 D CA 1.989 55.944 54.000 -0.076 0.000 0.842 11 D CB -1.132 39.615 40.800 -0.088 0.000 0.974 11 D HN 0.474 nan 8.370 nan 0.000 0.447 12 A N 1.166 123.887 122.820 -0.166 0.000 1.881 12 A HA -0.322 3.998 4.320 0.000 0.000 0.219 12 A C 2.182 179.704 177.584 -0.103 0.000 1.215 12 A CA 2.531 54.432 52.037 -0.225 0.000 0.648 12 A CB -0.776 18.115 19.000 -0.181 0.000 0.832 12 A HN 0.195 nan 8.150 nan 0.000 0.455 13 R N -0.964 119.505 120.500 -0.052 0.000 2.115 13 R HA -0.171 4.169 4.340 0.000 0.000 0.239 13 R C 2.113 178.404 176.300 -0.016 0.000 1.133 13 R CA 1.831 57.918 56.100 -0.021 0.000 0.935 13 R CB -1.094 29.200 30.300 -0.010 0.000 0.853 13 R HN 0.419 nan 8.270 nan 0.000 0.433 14 V N 1.939 121.839 119.914 -0.023 0.000 2.220 14 V HA -0.356 3.764 4.120 0.000 0.000 0.250 14 V C 2.443 178.534 176.094 -0.005 0.000 1.056 14 V CA 1.941 64.233 62.300 -0.014 0.000 1.016 14 V CB -0.539 31.272 31.823 -0.020 0.000 0.639 14 V HN 0.329 nan 8.190 nan 0.000 0.446 15 K N -0.628 119.763 120.400 -0.016 0.000 2.034 15 K HA -0.280 4.040 4.320 0.000 0.000 0.214 15 K C 2.169 178.799 176.600 0.049 0.000 1.051 15 K CA 2.367 58.667 56.287 0.022 0.000 0.931 15 K CB -0.757 31.753 32.500 0.016 0.000 0.715 15 K HN 0.514 nan 8.250 nan 0.000 0.446 16 M N 0.698 120.323 119.600 0.043 0.000 2.108 16 M HA -0.233 4.247 4.480 0.000 0.000 0.257 16 M C 2.140 178.461 176.300 0.035 0.000 1.071 16 M CA 1.499 56.831 55.300 0.052 0.000 1.093 16 M CB -0.123 32.500 32.600 0.038 0.000 1.345 16 M HN 0.117 nan 8.290 nan 0.000 0.403 17 L N 0.565 121.801 121.223 0.022 0.000 2.056 17 L HA -0.148 4.192 4.340 0.000 0.000 0.207 17 L C 2.298 179.179 176.870 0.018 0.000 1.078 17 L CA 1.822 56.672 54.840 0.017 0.000 0.749 17 L CB -0.673 41.392 42.059 0.010 0.000 0.901 17 L HN 0.262 nan 8.230 nan 0.000 0.433 18 R N -0.404 120.108 120.500 0.020 0.000 2.091 18 R HA -0.119 4.221 4.340 0.000 0.000 0.238 18 R C 2.223 178.537 176.300 0.023 0.000 1.136 18 R CA 1.200 57.312 56.100 0.020 0.000 0.959 18 R CB -1.214 29.100 30.300 0.023 0.000 0.856 18 R HN 0.570 nan 8.270 nan 0.000 0.437 19 G N 1.179 109.998 108.800 0.031 0.000 2.480 19 G HA2 -0.264 3.696 3.960 0.000 0.000 0.216 19 G HA3 -0.264 3.696 3.960 0.000 0.000 0.216 19 G C 1.538 176.450 174.900 0.021 0.000 1.200 19 G CA 1.190 46.308 45.100 0.030 0.000 0.782 19 G HN 0.136 nan 8.290 nan 0.000 0.554 20 V N 1.637 121.563 119.914 0.020 0.000 2.250 20 V HA -0.338 3.782 4.120 0.000 0.000 0.250 20 V C 2.530 178.631 176.094 0.012 0.000 1.060 20 V CA 2.407 64.716 62.300 0.015 0.000 1.030 20 V CB -1.067 30.765 31.823 0.015 0.000 0.643 20 V HN 0.501 nan 8.190 nan 0.000 0.445 21 N N 0.010 118.716 118.700 0.012 0.000 2.037 21 N HA -0.209 4.531 4.740 0.000 0.000 0.196 21 N C 1.756 177.270 175.510 0.007 0.000 1.034 21 N CA 1.715 54.770 53.050 0.009 0.000 0.861 21 N CB -0.394 38.099 38.487 0.008 0.000 1.039 21 N HN 0.343 nan 8.380 nan 0.000 0.427 22 V N 2.121 122.040 119.914 0.008 0.000 2.231 22 V HA -0.255 3.865 4.120 0.000 0.000 0.250 22 V C 2.302 178.399 176.094 0.004 0.000 1.058 22 V CA 1.512 63.816 62.300 0.006 0.000 1.022 22 V CB -0.837 30.991 31.823 0.008 0.000 0.640 22 V HN 0.385 nan 8.190 nan 0.000 0.445 23 L N 0.633 121.859 121.223 0.005 0.000 1.944 23 L HA -0.219 4.121 4.340 0.000 0.000 0.218 23 L C 2.609 179.481 176.870 0.003 0.000 1.075 23 L CA 2.999 57.840 54.840 0.003 0.000 0.767 23 L CB -1.737 40.325 42.059 0.004 0.000 0.890 23 L HN 0.353 nan 8.230 nan 0.000 0.434 24 A N 0.185 123.007 122.820 0.005 0.000 1.873 24 A HA -0.355 3.965 4.320 0.000 0.000 0.219 24 A C 1.900 179.486 177.584 0.003 0.000 1.269 24 A CA 2.610 54.650 52.037 0.005 0.000 0.671 24 A CB -1.362 17.642 19.000 0.006 0.000 0.842 24 A HN 0.646 nan 8.150 nan 0.000 0.460 25 D N -0.275 120.126 120.400 0.002 0.000 2.170 25 D HA -0.150 4.490 4.640 0.000 0.000 0.193 25 D C 2.020 178.320 176.300 -0.001 0.000 1.004 25 D CA 1.893 55.894 54.000 0.001 0.000 0.860 25 D CB -0.536 40.265 40.800 0.001 0.000 0.931 25 D HN 0.538 nan 8.370 nan 0.000 0.448 26 A N -0.077 122.742 122.820 -0.002 0.000 2.119 26 A HA -0.011 4.309 4.320 0.000 0.000 0.217 26 A C 2.262 179.844 177.584 -0.004 0.000 1.153 26 A CA 0.699 52.733 52.037 -0.004 0.000 0.692 26 A CB 0.009 19.006 19.000 -0.005 0.000 0.799 26 A HN 0.187 nan 8.150 nan 0.000 0.458 27 V N -0.568 119.344 119.914 -0.002 0.000 3.125 27 V HA -0.080 4.040 4.120 0.000 0.000 0.249 27 V C 2.106 178.199 176.094 -0.002 0.000 1.113 27 V CA 1.174 63.472 62.300 -0.003 0.000 1.106 27 V CB -0.279 31.544 31.823 -0.001 0.000 0.768 27 V HN 0.462 nan 8.190 nan 0.000 0.468 28 K N 1.166 121.565 120.400 -0.001 0.000 2.001 28 K HA -0.211 4.109 4.320 0.000 0.000 0.214 28 K C 2.184 178.783 176.600 -0.002 0.000 1.050 28 K CA 2.066 58.352 56.287 -0.001 0.000 0.934 28 K CB -0.950 31.550 32.500 -0.001 0.000 0.718 28 K HN 0.482 nan 8.250 nan 0.000 0.443 29 V N 0.563 120.475 119.914 -0.003 0.000 2.467 29 V HA -0.275 3.845 4.120 0.000 0.000 0.266 29 V C 1.796 177.888 176.094 -0.004 0.000 1.124 29 V CA 2.398 64.696 62.300 -0.004 0.000 1.121 29 V CB -1.828 29.992 31.823 -0.005 0.000 0.695 29 V HN 0.522 nan 8.190 nan 0.000 0.466 30 T N -2.193 112.358 114.554 -0.005 0.000 3.260 30 T HA 0.579 4.929 4.350 0.000 0.000 0.254 30 T C -0.301 174.396 174.700 -0.004 0.000 0.951 30 T CA -0.311 61.785 62.100 -0.005 0.000 0.918 30 T CB 0.013 68.877 68.868 -0.007 0.000 1.098 30 T HN 0.433 nan 8.240 nan 0.000 0.563 31 L N 1.694 122.916 121.223 -0.002 0.000 2.307 31 L HA 0.785 5.125 4.340 0.000 0.000 0.284 31 L C 0.452 177.322 176.870 -0.000 0.000 1.023 31 L CA 0.987 55.827 54.840 -0.001 0.000 0.810 31 L CB 0.747 42.806 42.059 0.001 0.000 1.231 31 L HN 0.675 nan 8.230 nan 0.000 0.423 32 G N 4.782 113.582 108.800 -0.001 0.000 2.757 32 G HA2 -0.154 3.806 3.960 0.000 0.000 0.638 32 G HA3 -0.154 3.806 3.960 0.000 0.000 0.638 32 G C -2.245 172.652 174.900 -0.005 0.000 1.344 32 G CA -0.289 44.810 45.100 -0.001 0.000 0.855 32 G HN 0.578 nan 8.290 nan 0.000 0.537 33 P HA -0.081 nan 4.420 nan 0.000 0.216 33 P C 1.105 178.399 177.300 -0.009 0.000 1.150 33 P CA 1.632 64.724 63.100 -0.012 0.000 0.837 33 P CB 0.041 31.728 31.700 -0.021 0.000 0.786 34 K N 0.282 120.679 120.400 -0.005 0.000 2.504 34 K HA 0.188 4.508 4.320 0.000 0.000 0.199 34 K C 1.210 177.808 176.600 -0.002 0.000 1.028 34 K CA -0.294 55.992 56.287 -0.003 0.000 1.164 34 K CB -0.140 32.362 32.500 0.004 0.000 0.877 34 K HN 0.120 nan 8.250 nan 0.000 0.508 35 G N 1.076 109.874 108.800 -0.003 0.000 2.594 35 G HA2 0.112 4.072 3.960 0.000 0.000 0.243 35 G HA3 0.112 4.072 3.960 0.000 0.000 0.243 35 G C -0.167 174.730 174.900 -0.005 0.000 1.229 35 G CA -0.368 44.730 45.100 -0.004 0.000 0.843 35 G HN 0.207 nan 8.290 nan 0.000 0.578 36 R N 0.029 120.525 120.500 -0.005 0.000 2.943 36 R HA 0.366 4.706 4.340 0.000 0.000 0.246 36 R C -0.462 175.834 176.300 -0.008 0.000 1.201 36 R CA -0.995 55.102 56.100 -0.006 0.000 1.056 36 R CB 1.104 31.400 30.300 -0.006 0.000 1.243 36 R HN 0.474 nan 8.270 nan 0.000 0.498 37 N N -0.330 118.365 118.700 -0.009 0.000 2.477 37 N HA 0.464 5.204 4.740 0.000 0.000 0.284 37 N C -1.005 174.498 175.510 -0.012 0.000 1.182 37 N CA -0.433 52.611 53.050 -0.010 0.000 0.949 37 N CB 1.890 40.370 38.487 -0.011 0.000 1.204 37 N HN 0.111 nan 8.380 nan 0.000 0.526 38 V N 0.474 120.380 119.914 -0.014 0.000 2.914 38 V HA 0.504 4.624 4.120 0.000 0.000 0.314 38 V C -0.318 175.764 176.094 -0.021 0.000 1.084 38 V CA -0.818 61.472 62.300 -0.016 0.000 0.963 38 V CB 2.331 34.145 31.823 -0.015 0.000 1.025 38 V HN 0.283 nan 8.190 nan 0.000 0.432 39 V N 4.258 124.157 119.914 -0.025 0.000 2.448 39 V HA 0.499 4.619 4.120 0.000 0.000 0.295 39 V C -0.446 175.623 176.094 -0.042 0.000 1.025 39 V CA -0.491 61.789 62.300 -0.033 0.000 0.859 39 V CB 1.658 33.461 31.823 -0.035 0.000 0.988 39 V HN 0.611 nan 8.190 nan 0.000 0.431 40 L N 3.606 124.797 121.223 -0.052 0.000 2.272 40 L HA 0.522 4.862 4.340 0.000 0.000 0.289 40 L C -0.019 176.783 176.870 -0.113 0.000 1.032 40 L CA -0.446 54.353 54.840 -0.069 0.000 0.810 40 L CB 1.517 43.544 42.059 -0.053 0.000 1.205 40 L HN 0.612 nan 8.230 nan 0.000 0.422 41 D N 3.247 123.567 120.400 -0.133 0.000 2.358 41 D HA 0.325 4.965 4.640 0.000 0.000 0.244 41 D C -0.778 175.316 176.300 -0.343 0.000 1.163 41 D CA 0.092 53.982 54.000 -0.183 0.000 0.945 41 D CB 0.867 41.583 40.800 -0.140 0.000 1.152 41 D HN 0.380 nan 8.370 nan 0.000 0.451 42 K N 0.458 120.586 120.400 -0.454 0.000 2.589 42 K HA 0.155 4.475 4.320 0.000 0.000 0.253 42 K C 0.341 176.557 176.600 -0.639 0.000 0.974 42 K CA -0.427 55.267 56.287 -0.989 0.000 0.835 42 K CB 1.710 33.555 32.500 -1.092 0.000 1.272 42 K HN 0.432 nan 8.250 nan 0.000 0.444 43 S N 2.448 117.846 115.700 -0.503 0.000 2.382 43 S HA -0.146 4.324 4.470 0.000 0.000 0.228 43 S C 1.639 176.321 174.600 0.137 0.000 1.027 43 S CA 0.848 59.029 58.200 -0.032 0.000 0.991 43 S CB -0.520 62.773 63.200 0.155 0.000 0.823 43 S HN 0.468 nan 8.310 nan 0.000 0.469 44 F N 3.036 122.981 119.950 -0.008 0.000 2.123 44 F HA 0.157 4.684 4.527 0.000 0.000 0.302 44 F C 2.244 178.040 175.800 -0.006 0.000 1.251 44 F CA 0.409 58.404 58.000 -0.007 0.000 1.236 44 F CB -1.771 37.224 39.000 -0.009 0.000 0.927 44 F HN 0.457 nan 8.300 nan 0.000 0.554 45 G N -1.416 107.493 108.800 0.180 0.000 3.341 45 G HA2 0.591 4.551 3.960 0.000 0.000 0.177 45 G HA3 0.591 4.551 3.960 0.000 0.000 0.177 45 G C -0.760 174.133 174.900 -0.011 0.000 1.236 45 G CA -0.032 45.109 45.100 0.068 0.000 0.888 45 G HN 0.596 nan 8.290 nan 0.000 0.644 46 A N 0.190 123.003 122.820 -0.012 0.000 2.304 46 A HA 0.705 5.025 4.320 0.000 0.000 0.271 46 A C -2.204 175.339 177.584 -0.068 0.000 1.091 46 A CA -0.815 51.200 52.037 -0.036 0.000 0.812 46 A CB -0.046 18.942 19.000 -0.018 0.000 1.056 46 A HN 0.365 nan 8.150 nan 0.000 0.489 47 P HA 0.217 nan 4.420 nan 0.000 0.269 47 P C -0.247 177.014 177.300 -0.065 0.000 1.217 47 P CA 0.206 63.249 63.100 -0.096 0.000 0.783 47 P CB 0.464 32.116 31.700 -0.079 0.000 0.898 48 T N 1.990 116.504 114.554 -0.067 0.000 2.824 48 T HA 0.545 4.896 4.350 0.000 0.000 0.280 48 T C -0.020 174.661 174.700 -0.032 0.000 0.995 48 T CA -0.304 61.773 62.100 -0.038 0.000 1.009 48 T CB 0.131 68.982 68.868 -0.029 0.000 0.955 48 T HN 0.160 nan 8.240 nan 0.000 0.452 49 I N 2.967 123.524 120.570 -0.021 0.000 2.390 49 I HA 0.417 4.587 4.170 0.000 0.000 0.283 49 I C 0.340 176.449 176.117 -0.013 0.000 1.016 49 I CA -0.476 60.813 61.300 -0.018 0.000 1.151 49 I CB 1.509 39.500 38.000 -0.015 0.000 1.293 49 I HN 0.481 nan 8.210 nan 0.000 0.458 50 T N 3.850 118.396 114.554 -0.014 0.000 2.864 50 T HA 0.390 4.740 4.350 0.000 0.000 0.289 50 T C 0.066 174.759 174.700 -0.012 0.000 1.082 50 T CA -0.478 61.615 62.100 -0.012 0.000 1.009 50 T CB 2.185 71.046 68.868 -0.011 0.000 1.234 50 T HN 0.690 nan 8.240 nan 0.000 0.526 51 K N 0.672 121.066 120.400 -0.011 0.000 2.483 51 K HA 0.203 4.523 4.320 0.000 0.000 0.206 51 K C -0.445 176.147 176.600 -0.012 0.000 1.086 51 K CA -0.236 56.044 56.287 -0.011 0.000 1.052 51 K CB 0.433 32.928 32.500 -0.009 0.000 0.904 51 K HN 0.471 nan 8.250 nan 0.000 0.557 52 D N 0.448 120.839 120.400 -0.015 0.000 2.374 52 D HA 0.102 4.742 4.640 0.000 0.000 0.240 52 D C 1.177 177.467 176.300 -0.016 0.000 1.229 52 D CA 0.140 54.128 54.000 -0.019 0.000 0.895 52 D CB 1.115 41.900 40.800 -0.024 0.000 1.046 52 D HN 0.329 nan 8.370 nan 0.000 0.498 53 G N 2.991 111.783 108.800 -0.014 0.000 2.624 53 G HA2 -0.324 3.636 3.960 0.000 0.000 0.221 53 G HA3 -0.324 3.636 3.960 0.000 0.000 0.221 53 G C 1.547 176.440 174.900 -0.011 0.000 1.169 53 G CA 1.030 46.124 45.100 -0.010 0.000 0.771 53 G HN 0.497 nan 8.290 nan 0.000 0.598 54 V N 0.493 120.398 119.914 -0.016 0.000 2.407 54 V HA -0.161 3.959 4.120 0.000 0.000 0.248 54 V C 2.982 179.067 176.094 -0.016 0.000 1.055 54 V CA 2.857 65.146 62.300 -0.018 0.000 1.049 54 V CB -0.492 31.316 31.823 -0.026 0.000 0.662 54 V HN 0.378 nan 8.190 nan 0.000 0.455 55 S N -0.402 115.289 115.700 -0.016 0.000 2.365 55 S HA -0.202 4.268 4.470 0.000 0.000 0.225 55 S C 1.814 176.410 174.600 -0.006 0.000 1.039 55 S CA 1.787 59.981 58.200 -0.010 0.000 1.033 55 S CB -0.339 62.855 63.200 -0.010 0.000 0.887 55 S HN 0.508 nan 8.310 nan 0.000 0.447 56 V N 1.964 121.873 119.914 -0.009 0.000 2.223 56 V HA -0.216 3.904 4.120 0.000 0.000 0.244 56 V C 2.602 178.692 176.094 -0.006 0.000 1.045 56 V CA 1.666 63.961 62.300 -0.008 0.000 1.000 56 V CB -1.463 30.355 31.823 -0.009 0.000 0.635 56 V HN 0.546 nan 8.190 nan 0.000 0.445 57 A N 0.458 123.274 122.820 -0.006 0.000 1.883 57 A HA -0.423 3.897 4.320 0.000 0.000 0.226 57 A C 2.214 179.795 177.584 -0.005 0.000 1.512 57 A CA 3.242 55.276 52.037 -0.006 0.000 0.738 57 A CB -1.036 17.959 19.000 -0.008 0.000 0.848 57 A HN 0.577 nan 8.150 nan 0.000 0.477 58 R N -0.856 119.641 120.500 -0.005 0.000 2.165 58 R HA -0.207 4.133 4.340 0.000 0.000 0.254 58 R C 1.824 178.127 176.300 0.005 0.000 1.153 58 R CA 1.635 57.734 56.100 -0.001 0.000 0.971 58 R CB -0.543 29.758 30.300 0.001 0.000 0.878 58 R HN 0.599 nan 8.270 nan 0.000 0.449 59 E N 0.375 120.579 120.200 0.006 0.000 2.472 59 E HA -0.047 4.303 4.350 0.000 0.000 0.200 59 E C 0.343 176.943 176.600 0.001 0.000 1.046 59 E CA 0.467 56.872 56.400 0.007 0.000 0.871 59 E CB 0.063 29.762 29.700 -0.001 0.000 0.806 59 E HN 0.253 nan 8.360 nan 0.000 0.533 60 I N 1.711 122.280 120.570 -0.001 0.000 2.352 60 I HA 0.190 4.360 4.170 0.000 0.000 0.290 60 I C 0.349 176.464 176.117 -0.003 0.000 1.036 60 I CA -0.121 61.177 61.300 -0.003 0.000 1.336 60 I CB 0.428 38.426 38.000 -0.003 0.000 1.407 60 I HN -0.099 nan 8.210 nan 0.000 0.497 61 E N 5.938 126.136 120.200 -0.003 0.000 2.263 61 E HA 0.500 4.850 4.350 0.000 0.000 0.268 61 E C -1.741 174.856 176.600 -0.005 0.000 0.884 61 E CA -0.701 55.696 56.400 -0.005 0.000 0.766 61 E CB 1.971 31.668 29.700 -0.005 0.000 1.196 61 E HN 0.245 nan 8.360 nan 0.000 0.416 62 L N 3.237 124.457 121.223 -0.006 0.000 2.344 62 L HA 0.303 4.643 4.340 0.000 0.000 0.272 62 L C 1.394 178.259 176.870 -0.008 0.000 1.035 62 L CA 0.140 54.978 54.840 -0.003 0.000 0.807 62 L CB 1.312 43.374 42.059 0.006 0.000 1.237 62 L HN 0.768 nan 8.230 nan 0.000 0.442 63 E N 0.236 120.434 120.200 -0.004 0.000 2.072 63 E HA -0.154 4.196 4.350 0.000 0.000 0.190 63 E C -0.226 176.368 176.600 -0.010 0.000 0.982 63 E CA 0.443 56.838 56.400 -0.008 0.000 0.803 63 E CB 0.274 29.973 29.700 -0.002 0.000 0.755 63 E HN 0.757 nan 8.360 nan 0.000 0.453 64 D N 0.608 121.013 120.400 0.009 0.000 2.412 64 D HA -0.056 4.584 4.640 0.000 0.000 0.257 64 D C 0.958 177.248 176.300 -0.015 0.000 1.217 64 D CA 0.024 54.040 54.000 0.026 0.000 0.897 64 D CB 0.712 41.555 40.800 0.072 0.000 1.132 64 D HN -0.108 nan 8.370 nan 0.000 0.493 65 K N 3.282 123.621 120.400 -0.102 0.000 2.074 65 K HA -0.179 4.141 4.320 0.000 0.000 0.209 65 K C 1.614 178.058 176.600 -0.260 0.000 1.048 65 K CA 1.339 57.475 56.287 -0.250 0.000 0.926 65 K CB -0.355 31.876 32.500 -0.449 0.000 0.713 65 K HN 0.538 nan 8.250 nan 0.000 0.444 66 F N 1.270 121.214 119.950 -0.010 0.000 2.187 66 F HA -0.025 4.502 4.527 0.000 0.000 0.295 66 F C 2.397 178.192 175.800 -0.009 0.000 1.091 66 F CA 0.868 58.861 58.000 -0.012 0.000 1.308 66 F CB -0.495 38.499 39.000 -0.010 0.000 1.030 66 F HN 0.099 nan 8.300 nan 0.000 0.487 67 E N 0.127 120.435 120.200 0.181 0.000 2.110 67 E HA -0.262 4.088 4.350 0.000 0.000 0.193 67 E C 1.879 178.513 176.600 0.057 0.000 0.988 67 E CA 1.333 57.792 56.400 0.099 0.000 0.804 67 E CB -0.296 29.447 29.700 0.072 0.000 0.745 67 E HN 0.317 nan 8.360 nan 0.000 0.458 68 N N 0.553 119.271 118.700 0.031 0.000 2.043 68 N HA -0.186 4.554 4.740 0.000 0.000 0.193 68 N C 1.763 177.275 175.510 0.003 0.000 1.037 68 N CA 1.540 54.592 53.050 0.002 0.000 0.851 68 N CB -0.028 38.443 38.487 -0.026 0.000 1.027 68 N HN 0.053 nan 8.380 nan 0.000 0.422 69 M N -0.394 119.207 119.600 0.002 0.000 2.088 69 M HA -0.153 4.327 4.480 0.000 0.000 0.256 69 M C 2.272 178.586 176.300 0.023 0.000 1.071 69 M CA 2.038 57.343 55.300 0.008 0.000 1.097 69 M CB -1.036 31.581 32.600 0.028 0.000 1.315 69 M HN 0.393 nan 8.290 nan 0.000 0.406 70 G N -0.269 108.557 108.800 0.044 0.000 2.469 70 G HA2 -0.202 3.758 3.960 0.000 0.000 0.219 70 G HA3 -0.202 3.758 3.960 0.000 0.000 0.219 70 G C 1.599 176.511 174.900 0.021 0.000 1.150 70 G CA 1.271 46.392 45.100 0.035 0.000 0.763 70 G HN 0.588 nan 8.290 nan 0.000 0.561 71 A N -0.259 122.572 122.820 0.018 0.000 1.898 71 A HA -0.036 4.284 4.320 0.000 0.000 0.216 71 A C 2.355 179.941 177.584 0.003 0.000 1.181 71 A CA 1.828 53.871 52.037 0.010 0.000 0.620 71 A CB -0.360 18.645 19.000 0.008 0.000 0.819 71 A HN 0.303 nan 8.150 nan 0.000 0.442 72 Q N -0.789 119.010 119.800 -0.000 0.000 2.291 72 Q HA -0.100 4.240 4.340 0.000 0.000 0.206 72 Q C 1.986 177.982 176.000 -0.007 0.000 0.976 72 Q CA 1.256 57.055 55.803 -0.007 0.000 0.875 72 Q CB -0.337 28.393 28.738 -0.013 0.000 0.927 72 Q HN 0.784 nan 8.270 nan 0.000 0.450 73 M N -0.633 118.966 119.600 -0.001 0.000 2.240 73 M HA -0.103 4.377 4.480 0.000 0.000 0.257 73 M C 2.274 178.574 176.300 -0.000 0.000 1.107 73 M CA 0.991 56.290 55.300 -0.001 0.000 1.169 73 M CB -0.455 32.149 32.600 0.006 0.000 1.307 73 M HN 0.035 nan 8.290 nan 0.000 0.447 74 V N -0.120 119.797 119.914 0.006 0.000 2.370 74 V HA -0.326 3.794 4.120 0.000 0.000 0.252 74 V C 2.145 178.240 176.094 0.001 0.000 1.068 74 V CA 2.320 64.624 62.300 0.008 0.000 1.061 74 V CB -1.519 30.310 31.823 0.011 0.000 0.656 74 V HN 0.541 nan 8.190 nan 0.000 0.455 75 K N 0.700 121.098 120.400 -0.003 0.000 2.173 75 K HA -0.326 3.994 4.320 0.000 0.000 0.207 75 K C 2.255 178.844 176.600 -0.019 0.000 1.046 75 K CA 2.272 58.553 56.287 -0.009 0.000 0.929 75 K CB -0.249 32.244 32.500 -0.011 0.000 0.720 75 K HN 0.745 nan 8.250 nan 0.000 0.453 76 E N 0.185 120.371 120.200 -0.024 0.000 2.208 76 E HA -0.135 4.215 4.350 0.000 0.000 0.193 76 E C 1.894 178.460 176.600 -0.057 0.000 0.988 76 E CA 0.885 57.258 56.400 -0.046 0.000 0.828 76 E CB 0.105 29.775 29.700 -0.049 0.000 0.763 76 E HN 0.316 nan 8.360 nan 0.000 0.478 77 V N 0.242 120.143 119.914 -0.021 0.000 2.270 77 V HA -0.168 3.952 4.120 0.000 0.000 0.245 77 V C 2.256 178.355 176.094 0.009 0.000 1.043 77 V CA 2.070 64.376 62.300 0.009 0.000 1.014 77 V CB -0.678 31.177 31.823 0.055 0.000 0.645 77 V HN 0.305 nan 8.190 nan 0.000 0.447 78 A N -0.150 122.674 122.820 0.007 0.000 1.986 78 A HA -0.242 4.078 4.320 0.000 0.000 0.220 78 A C 2.585 180.160 177.584 -0.015 0.000 1.171 78 A CA 2.766 54.807 52.037 0.005 0.000 0.640 78 A CB -1.146 17.854 19.000 -0.001 0.000 0.811 78 A HN 0.782 nan 8.150 nan 0.000 0.451 79 S N -1.000 114.676 115.700 -0.039 0.000 2.329 79 S HA -0.144 4.326 4.470 0.000 0.000 0.215 79 S C 2.217 176.757 174.600 -0.101 0.000 1.031 79 S CA 1.511 59.674 58.200 -0.062 0.000 0.985 79 S CB -0.320 62.839 63.200 -0.067 0.000 0.917 79 S HN 0.394 nan 8.310 nan 0.000 0.441 80 K N 1.553 121.841 120.400 -0.188 0.000 2.074 80 K HA -0.031 4.289 4.320 0.000 0.000 0.209 80 K C 2.233 178.662 176.600 -0.285 0.000 1.048 80 K CA 1.563 57.620 56.287 -0.383 0.000 0.926 80 K CB -1.227 30.819 32.500 -0.757 0.000 0.713 80 K HN 0.443 nan 8.250 nan 0.000 0.444 81 A N 1.260 124.042 122.820 -0.063 0.000 1.948 81 A HA -0.237 4.083 4.320 0.000 0.000 0.220 81 A C 2.080 179.724 177.584 0.100 0.000 1.177 81 A CA 2.125 54.284 52.037 0.204 0.000 0.636 81 A CB -0.729 18.371 19.000 0.166 0.000 0.815 81 A HN 0.614 nan 8.150 nan 0.000 0.449 82 N N -0.939 117.770 118.700 0.014 0.000 2.216 82 N HA -0.140 4.600 4.740 0.000 0.000 0.183 82 N C 0.867 176.376 175.510 -0.003 0.000 1.017 82 N CA 1.067 54.111 53.050 -0.010 0.000 0.861 82 N CB -0.086 38.379 38.487 -0.037 0.000 0.986 82 N HN 0.436 nan 8.380 nan 0.000 0.428 83 D N 0.716 121.106 120.400 -0.016 0.000 2.183 83 D HA -0.074 4.566 4.640 0.000 0.000 0.203 83 D C 1.794 178.123 176.300 0.048 0.000 0.969 83 D CA 0.594 54.591 54.000 -0.004 0.000 0.842 83 D CB -0.088 40.683 40.800 -0.048 0.000 0.957 83 D HN 0.355 nan 8.370 nan 0.000 0.484 84 A N 1.034 123.911 122.820 0.095 0.000 1.841 84 A HA 0.156 4.476 4.320 0.000 0.000 0.214 84 A C 1.846 179.512 177.584 0.136 0.000 1.195 84 A CA 2.031 54.177 52.037 0.183 0.000 0.611 84 A CB -0.076 19.177 19.000 0.423 0.000 0.835 84 A HN 0.236 nan 8.150 nan 0.000 0.443 85 A N -2.392 120.500 122.820 0.120 0.000 2.543 85 A HA 0.491 4.811 4.320 0.000 0.000 0.279 85 A C 1.183 178.817 177.584 0.084 0.000 0.917 85 A CA 0.801 52.903 52.037 0.108 0.000 1.036 85 A CB -0.774 18.278 19.000 0.088 0.000 1.227 85 A HN 1.937 nan 8.150 nan 0.000 0.503 86 G N 0.257 109.073 108.800 0.027 0.000 2.450 86 G HA2 -0.099 3.861 3.960 0.000 0.000 0.302 86 G HA3 -0.099 3.861 3.960 0.000 0.000 0.302 86 G C -0.126 174.695 174.900 -0.132 0.000 0.957 86 G CA 1.190 46.204 45.100 -0.144 0.000 1.005 86 G HN 0.905 nan 8.290 nan 0.000 0.514 87 D N -2.666 117.711 120.400 -0.037 0.000 2.912 87 D HA 0.490 5.130 4.640 0.000 0.000 0.263 87 D C 0.833 177.139 176.300 0.009 0.000 1.152 87 D CA 1.148 55.135 54.000 -0.020 0.000 0.728 87 D CB 0.217 41.014 40.800 -0.005 0.000 1.337 87 D HN 1.308 nan 8.370 nan 0.000 0.435 88 G N 0.587 109.391 108.800 0.007 0.000 2.176 88 G HA2 -0.343 3.617 3.960 0.000 0.000 0.253 88 G HA3 -0.343 3.617 3.960 0.000 0.000 0.253 88 G C 1.132 176.045 174.900 0.021 0.000 0.979 88 G CA 1.649 46.758 45.100 0.016 0.000 0.641 88 G HN 1.074 nan 8.290 nan 0.000 0.530 89 T N -0.905 113.658 114.554 0.016 0.000 2.565 89 T HA -0.257 4.093 4.350 0.000 0.000 0.265 89 T C 2.241 176.949 174.700 0.015 0.000 1.082 89 T CA 2.946 65.056 62.100 0.017 0.000 1.173 89 T CB -1.366 67.501 68.868 -0.002 0.000 0.864 89 T HN 0.573 nan 8.240 nan 0.000 0.425 90 T N 2.040 116.597 114.554 0.006 0.000 2.597 90 T HA -0.190 4.160 4.350 0.000 0.000 0.267 90 T C 2.294 177.000 174.700 0.010 0.000 1.053 90 T CA 2.270 64.373 62.100 0.005 0.000 1.165 90 T CB -1.413 67.455 68.868 0.001 0.000 0.863 90 T HN 0.615 nan 8.240 nan 0.000 0.427 91 T N 2.254 116.814 114.554 0.011 0.000 2.624 91 T HA -0.176 4.174 4.350 0.000 0.000 0.268 91 T C 2.359 177.070 174.700 0.018 0.000 1.041 91 T CA 1.521 63.628 62.100 0.012 0.000 1.159 91 T CB -0.884 67.990 68.868 0.011 0.000 0.863 91 T HN 0.496 nan 8.240 nan 0.000 0.434 92 A N 1.587 124.424 122.820 0.028 0.000 1.869 92 A HA -0.236 4.084 4.320 0.000 0.000 0.218 92 A C 2.582 180.187 177.584 0.035 0.000 1.203 92 A CA 2.674 54.736 52.037 0.041 0.000 0.638 92 A CB -1.647 17.396 19.000 0.071 0.000 0.831 92 A HN 0.505 nan 8.150 nan 0.000 0.450 93 T N -0.107 114.464 114.554 0.029 0.000 2.620 93 T HA -0.237 4.113 4.350 0.000 0.000 0.267 93 T C 1.847 176.558 174.700 0.018 0.000 1.044 93 T CA 2.038 64.151 62.100 0.022 0.000 1.161 93 T CB -0.868 68.008 68.868 0.014 0.000 0.862 93 T HN 0.200 nan 8.240 nan 0.000 0.438 94 V N 1.582 121.504 119.914 0.014 0.000 2.250 94 V HA -0.241 3.879 4.120 0.000 0.000 0.250 94 V C 2.536 178.637 176.094 0.012 0.000 1.060 94 V CA 1.936 64.243 62.300 0.011 0.000 1.030 94 V CB -0.852 30.976 31.823 0.008 0.000 0.643 94 V HN 0.463 nan 8.190 nan 0.000 0.445 95 L N -0.285 120.947 121.223 0.014 0.000 2.042 95 L HA -0.224 4.116 4.340 0.000 0.000 0.210 95 L C 2.732 179.612 176.870 0.016 0.000 1.076 95 L CA 1.677 56.525 54.840 0.014 0.000 0.749 95 L CB -0.916 41.152 42.059 0.015 0.000 0.893 95 L HN 0.402 nan 8.230 nan 0.000 0.432 96 A N 0.101 122.933 122.820 0.021 0.000 1.841 96 A HA -0.334 3.986 4.320 0.000 0.000 0.216 96 A C 2.166 179.760 177.584 0.016 0.000 1.199 96 A CA 2.057 54.107 52.037 0.022 0.000 0.621 96 A CB -0.856 18.159 19.000 0.026 0.000 0.835 96 A HN 0.465 nan 8.150 nan 0.000 0.445 97 Q N 0.213 120.021 119.800 0.014 0.000 2.084 97 Q HA -0.262 4.078 4.340 0.000 0.000 0.215 97 Q C 1.933 177.939 176.000 0.010 0.000 1.020 97 Q CA 3.497 59.306 55.803 0.011 0.000 0.887 97 Q CB -0.964 27.779 28.738 0.009 0.000 0.975 97 Q HN 0.626 nan 8.270 nan 0.000 0.413 98 A N 0.257 123.083 122.820 0.009 0.000 1.851 98 A HA -0.165 4.155 4.320 0.000 0.000 0.216 98 A C 2.311 179.901 177.584 0.009 0.000 1.195 98 A CA 1.851 53.893 52.037 0.008 0.000 0.622 98 A CB -0.963 18.041 19.000 0.007 0.000 0.831 98 A HN 0.543 nan 8.150 nan 0.000 0.444 99 I N -0.238 120.339 120.570 0.011 0.000 2.118 99 I HA -0.308 3.862 4.170 0.000 0.000 0.241 99 I C 2.399 178.522 176.117 0.011 0.000 1.070 99 I CA 1.716 63.022 61.300 0.011 0.000 1.327 99 I CB -0.463 37.545 38.000 0.014 0.000 1.034 99 I HN 0.340 nan 8.210 nan 0.000 0.405 100 I N 0.284 120.862 120.570 0.012 0.000 2.208 100 I HA -0.295 3.875 4.170 0.000 0.000 0.245 100 I C 2.580 178.702 176.117 0.009 0.000 1.097 100 I CA 1.622 62.929 61.300 0.012 0.000 1.363 100 I CB -0.777 37.230 38.000 0.013 0.000 1.051 100 I HN 0.283 nan 8.210 nan 0.000 0.413 101 T N 0.389 114.948 114.554 0.008 0.000 2.580 101 T HA -0.200 4.150 4.350 0.000 0.000 0.265 101 T C 1.836 176.540 174.700 0.006 0.000 1.063 101 T CA 1.499 63.603 62.100 0.007 0.000 1.170 101 T CB -0.278 68.594 68.868 0.006 0.000 0.863 101 T HN 0.297 nan 8.240 nan 0.000 0.418 102 E N 0.776 120.979 120.200 0.006 0.000 2.038 102 E HA -0.096 4.254 4.350 0.000 0.000 0.195 102 E C 2.563 179.167 176.600 0.006 0.000 1.000 102 E CA 1.412 57.815 56.400 0.005 0.000 0.803 102 E CB -1.151 28.552 29.700 0.005 0.000 0.750 102 E HN 0.568 nan 8.360 nan 0.000 0.448 103 G N 1.860 110.664 108.800 0.007 0.000 2.553 103 G HA2 -0.285 3.675 3.960 0.000 0.000 0.218 103 G HA3 -0.285 3.675 3.960 0.000 0.000 0.218 103 G C 1.777 176.681 174.900 0.007 0.000 1.195 103 G CA 1.245 46.349 45.100 0.008 0.000 0.779 103 G HN 0.206 nan 8.290 nan 0.000 0.577 104 L N 0.247 121.474 121.223 0.007 0.000 2.013 104 L HA -0.147 4.193 4.340 0.000 0.000 0.212 104 L C 2.865 179.738 176.870 0.005 0.000 1.073 104 L CA 1.891 56.734 54.840 0.006 0.000 0.753 104 L CB -0.494 41.568 42.059 0.005 0.000 0.890 104 L HN 0.280 nan 8.230 nan 0.000 0.432 105 K N 0.301 120.704 120.400 0.004 0.000 2.113 105 K HA -0.227 4.093 4.320 0.000 0.000 0.208 105 K C 1.983 178.585 176.600 0.003 0.000 1.047 105 K CA 1.594 57.883 56.287 0.003 0.000 0.928 105 K CB -0.064 32.438 32.500 0.003 0.000 0.716 105 K HN 0.326 nan 8.250 nan 0.000 0.446 106 A N 0.135 122.957 122.820 0.004 0.000 2.067 106 A HA -0.001 4.319 4.320 0.000 0.000 0.217 106 A C 2.011 179.598 177.584 0.005 0.000 1.156 106 A CA 0.803 52.842 52.037 0.004 0.000 0.683 106 A CB -0.009 18.994 19.000 0.005 0.000 0.808 106 A HN 0.158 nan 8.150 nan 0.000 0.455 107 V N -0.334 119.583 119.914 0.005 0.000 2.488 107 V HA -0.135 3.985 4.120 0.000 0.000 0.246 107 V C 2.943 179.040 176.094 0.005 0.000 1.046 107 V CA 1.565 63.869 62.300 0.006 0.000 1.053 107 V CB -1.017 30.811 31.823 0.008 0.000 0.679 107 V HN 0.546 nan 8.190 nan 0.000 0.458 108 A N 0.316 123.138 122.820 0.004 0.000 2.019 108 A HA -0.032 4.288 4.320 0.000 0.000 0.219 108 A C 2.316 179.901 177.584 0.002 0.000 1.164 108 A CA 1.709 53.747 52.037 0.002 0.000 0.644 108 A CB -0.569 18.431 19.000 0.001 0.000 0.805 108 A HN 0.559 nan 8.150 nan 0.000 0.449 109 A N -1.687 121.134 122.820 0.002 0.000 2.168 109 A HA 0.362 4.682 4.320 0.000 0.000 0.215 109 A C 1.775 179.360 177.584 0.002 0.000 1.152 109 A CA 1.413 53.451 52.037 0.002 0.000 0.716 109 A CB -0.836 18.165 19.000 0.002 0.000 0.794 109 A HN 1.907 nan 8.150 nan 0.000 0.465 110 G N -1.988 106.814 108.800 0.003 0.000 2.131 110 G HA2 -0.185 3.775 3.960 0.000 0.000 0.201 110 G HA3 -0.185 3.775 3.960 0.000 0.000 0.201 110 G C 0.012 174.914 174.900 0.004 0.000 1.000 110 G CA 0.182 45.283 45.100 0.003 0.000 0.680 110 G HN 0.365 nan 8.290 nan 0.000 0.514 111 M N 0.026 119.629 119.600 0.005 0.000 2.471 111 M HA 0.378 4.858 4.480 0.000 0.000 0.309 111 M C 0.599 176.903 176.300 0.007 0.000 1.186 111 M CA -0.887 54.416 55.300 0.005 0.000 1.008 111 M CB 0.866 33.469 32.600 0.005 0.000 1.551 111 M HN 0.171 nan 8.290 nan 0.000 0.477 112 N N 1.592 120.297 118.700 0.007 0.000 2.420 112 N HA 0.156 4.896 4.740 0.000 0.000 0.262 112 N C -2.281 173.234 175.510 0.009 0.000 1.144 112 N CA -1.360 51.695 53.050 0.008 0.000 0.952 112 N CB 0.912 39.404 38.487 0.008 0.000 1.081 112 N HN 0.194 nan 8.380 nan 0.000 0.480 113 P HA -0.164 nan 4.420 nan 0.000 0.215 113 P C 1.322 178.628 177.300 0.011 0.000 1.153 113 P CA 1.065 64.171 63.100 0.011 0.000 0.853 113 P CB 0.085 31.793 31.700 0.012 0.000 0.788 114 M N -0.443 119.163 119.600 0.011 0.000 2.202 114 M HA -0.167 4.313 4.480 0.000 0.000 0.262 114 M C 1.164 177.470 176.300 0.010 0.000 1.063 114 M CA 1.795 57.101 55.300 0.011 0.000 1.097 114 M CB -1.061 31.546 32.600 0.011 0.000 1.382 114 M HN -0.173 nan 8.290 nan 0.000 0.413 115 D N -0.747 119.659 120.400 0.009 0.000 2.162 115 D HA -0.040 4.600 4.640 0.000 0.000 0.203 115 D C 2.093 178.397 176.300 0.008 0.000 0.967 115 D CA 0.959 54.964 54.000 0.008 0.000 0.840 115 D CB -0.182 40.622 40.800 0.007 0.000 0.972 115 D HN 0.372 nan 8.370 nan 0.000 0.482 116 L N 1.007 122.235 121.223 0.008 0.000 2.013 116 L HA -0.220 4.120 4.340 0.000 0.000 0.212 116 L C 2.588 179.464 176.870 0.009 0.000 1.073 116 L CA 1.318 56.163 54.840 0.008 0.000 0.753 116 L CB -0.439 41.625 42.059 0.008 0.000 0.890 116 L HN 0.010 nan 8.230 nan 0.000 0.432 117 K N 0.314 120.720 120.400 0.010 0.000 2.001 117 K HA -0.222 4.098 4.320 0.000 0.000 0.214 117 K C 2.303 178.909 176.600 0.010 0.000 1.050 117 K CA 1.565 57.858 56.287 0.011 0.000 0.934 117 K CB -0.040 32.467 32.500 0.012 0.000 0.718 117 K HN 0.190 nan 8.250 nan 0.000 0.443 118 R N -0.335 120.170 120.500 0.009 0.000 2.097 118 R HA -0.141 4.199 4.340 0.000 0.000 0.236 118 R C 2.553 178.857 176.300 0.007 0.000 1.135 118 R CA 1.567 57.672 56.100 0.009 0.000 0.934 118 R CB -1.038 29.267 30.300 0.008 0.000 0.846 118 R HN 0.458 nan 8.270 nan 0.000 0.431 119 G N 1.788 110.593 108.800 0.007 0.000 2.556 119 G HA2 -0.289 3.671 3.960 0.000 0.000 0.220 119 G HA3 -0.289 3.671 3.960 0.000 0.000 0.220 119 G C 1.512 176.415 174.900 0.006 0.000 1.156 119 G CA 1.235 46.339 45.100 0.006 0.000 0.766 119 G HN 0.212 nan 8.290 nan 0.000 0.583 120 I N 0.778 121.352 120.570 0.007 0.000 2.113 120 I HA -0.165 4.005 4.170 0.000 0.000 0.238 120 I C 2.500 178.621 176.117 0.007 0.000 1.070 120 I CA 1.503 62.807 61.300 0.007 0.000 1.332 120 I CB -0.419 37.586 38.000 0.010 0.000 1.044 120 I HN 0.106 nan 8.210 nan 0.000 0.402 121 D N 1.097 121.502 120.400 0.008 0.000 2.154 121 D HA -0.285 4.355 4.640 0.000 0.000 0.190 121 D C 2.025 178.327 176.300 0.004 0.000 1.003 121 D CA 1.779 55.784 54.000 0.008 0.000 0.849 121 D CB -0.330 40.476 40.800 0.010 0.000 0.942 121 D HN 0.340 nan 8.370 nan 0.000 0.446 122 K N 0.906 121.309 120.400 0.004 0.000 1.991 122 K HA -0.173 4.147 4.320 0.000 0.000 0.212 122 K C 2.203 178.803 176.600 0.001 0.000 1.049 122 K CA 1.649 57.938 56.287 0.003 0.000 0.932 122 K CB -0.243 32.259 32.500 0.004 0.000 0.717 122 K HN 0.027 nan 8.250 nan 0.000 0.441 123 A N 0.614 123.435 122.820 0.002 0.000 1.971 123 A HA -0.202 4.118 4.320 0.000 0.000 0.222 123 A C 2.247 179.830 177.584 -0.001 0.000 1.182 123 A CA 2.209 54.247 52.037 0.001 0.000 0.649 123 A CB -0.819 18.183 19.000 0.003 0.000 0.818 123 A HN 0.251 nan 8.150 nan 0.000 0.458 124 V N -0.997 118.915 119.914 -0.002 0.000 2.302 124 V HA -0.181 3.939 4.120 0.000 0.000 0.243 124 V C 2.680 178.768 176.094 -0.011 0.000 1.036 124 V CA 2.305 64.601 62.300 -0.007 0.000 1.020 124 V CB -1.261 30.558 31.823 -0.008 0.000 0.657 124 V HN 0.604 nan 8.190 nan 0.000 0.453 125 T N 0.789 115.339 114.554 -0.008 0.000 2.721 125 T HA -0.285 4.064 4.350 0.000 0.000 0.268 125 T C 1.988 176.683 174.700 -0.008 0.000 1.038 125 T CA 1.906 64.001 62.100 -0.008 0.000 1.145 125 T CB -0.467 68.399 68.868 -0.004 0.000 0.858 125 T HN 0.576 nan 8.240 nan 0.000 0.459 126 A N 1.337 124.154 122.820 -0.005 0.000 1.873 126 A HA 0.230 4.550 4.320 0.000 0.000 0.215 126 A C 2.695 180.276 177.584 -0.005 0.000 1.186 126 A CA 1.736 53.771 52.037 -0.004 0.000 0.616 126 A CB -1.160 17.839 19.000 -0.001 0.000 0.823 126 A HN 0.518 nan 8.150 nan 0.000 0.442 127 A N -0.492 122.324 122.820 -0.006 0.000 1.978 127 A HA -0.009 4.311 4.320 0.000 0.000 0.220 127 A C 2.207 179.784 177.584 -0.012 0.000 1.170 127 A CA 1.869 53.901 52.037 -0.007 0.000 0.636 127 A CB -0.843 18.152 19.000 -0.009 0.000 0.810 127 A HN 0.383 nan 8.150 nan 0.000 0.448 128 V N 0.125 120.029 119.914 -0.017 0.000 2.270 128 V HA -0.200 3.920 4.120 0.000 0.000 0.245 128 V C 2.538 178.622 176.094 -0.015 0.000 1.043 128 V CA 1.991 64.278 62.300 -0.022 0.000 1.014 128 V CB -0.791 31.015 31.823 -0.030 0.000 0.645 128 V HN 0.499 nan 8.190 nan 0.000 0.447 129 E N 0.033 120.227 120.200 -0.011 0.000 2.086 129 E HA -0.244 4.106 4.350 0.000 0.000 0.200 129 E C 2.230 178.827 176.600 -0.005 0.000 1.012 129 E CA 1.295 57.691 56.400 -0.007 0.000 0.812 129 E CB -0.470 29.227 29.700 -0.004 0.000 0.743 129 E HN 0.565 nan 8.360 nan 0.000 0.453 130 E N 0.641 120.839 120.200 -0.004 0.000 2.108 130 E HA -0.200 4.150 4.350 0.000 0.000 0.203 130 E C 2.397 178.996 176.600 -0.001 0.000 1.022 130 E CA 0.920 57.319 56.400 -0.001 0.000 0.823 130 E CB -0.446 29.254 29.700 -0.000 0.000 0.744 130 E HN 0.333 nan 8.360 nan 0.000 0.456 131 L N 0.383 121.603 121.223 -0.005 0.000 2.027 131 L HA -0.164 4.176 4.340 0.000 0.000 0.206 131 L C 2.463 179.331 176.870 -0.004 0.000 1.074 131 L CA 1.273 56.110 54.840 -0.005 0.000 0.745 131 L CB -0.554 41.498 42.059 -0.012 0.000 0.898 131 L HN 0.059 nan 8.230 nan 0.000 0.433 132 K N 0.352 120.748 120.400 -0.007 0.000 2.286 132 K HA -0.191 4.129 4.320 0.000 0.000 0.203 132 K C 2.146 178.745 176.600 -0.001 0.000 1.045 132 K CA 1.280 57.564 56.287 -0.005 0.000 0.935 132 K CB -0.251 32.245 32.500 -0.006 0.000 0.737 132 K HN 0.353 nan 8.250 nan 0.000 0.460 133 A N 1.088 123.908 122.820 0.000 0.000 1.832 133 A HA -0.112 4.208 4.320 0.000 0.000 0.214 133 A C 1.948 179.535 177.584 0.004 0.000 1.204 133 A CA 1.096 53.134 52.037 0.003 0.000 0.606 133 A CB -0.490 18.512 19.000 0.003 0.000 0.849 133 A HN 0.096 nan 8.150 nan 0.000 0.445 134 L N 0.582 121.808 121.223 0.006 0.000 2.265 134 L HA -0.007 4.333 4.340 0.000 0.000 0.215 134 L C 1.686 178.560 176.870 0.007 0.000 1.117 134 L CA 1.065 55.910 54.840 0.008 0.000 0.782 134 L CB -0.985 41.080 42.059 0.011 0.000 0.914 134 L HN 0.306 nan 8.230 nan 0.000 0.441 135 S N -0.011 115.691 115.700 0.004 0.000 2.546 135 S HA 0.307 4.777 4.470 0.000 0.000 0.290 135 S C -0.236 174.368 174.600 0.005 0.000 1.290 135 S CA -0.431 57.772 58.200 0.004 0.000 1.069 135 S CB 0.132 63.333 63.200 0.002 0.000 0.846 135 S HN 0.137 nan 8.310 nan 0.000 0.495 136 V N 3.289 123.207 119.914 0.006 0.000 2.789 136 V HA 0.718 4.838 4.120 0.000 0.000 0.311 136 V C -2.937 173.161 176.094 0.006 0.000 1.073 136 V CA -2.832 59.471 62.300 0.007 0.000 0.921 136 V CB 1.217 33.044 31.823 0.008 0.000 1.009 136 V HN 0.655 nan 8.190 nan 0.000 0.426 137 P HA 0.140 nan 4.420 nan 0.000 0.263 137 P C -0.469 176.834 177.300 0.006 0.000 1.195 137 P CA 0.163 63.267 63.100 0.005 0.000 0.762 137 P CB 0.259 31.962 31.700 0.005 0.000 0.799 138 C N 4.208 123.512 119.300 0.006 0.000 2.206 138 C HA 0.414 4.874 4.460 0.000 0.000 0.324 138 C C 1.491 176.484 174.990 0.005 0.000 1.120 138 C CA 0.418 59.440 59.018 0.006 0.000 1.546 138 C CB -1.549 26.195 27.740 0.007 0.000 2.023 138 C HN 0.706 nan 8.230 nan 0.000 0.448 139 S N 2.451 118.154 115.700 0.004 0.000 2.665 139 S HA 0.142 4.612 4.470 0.000 0.000 0.240 139 S C 0.085 174.686 174.600 0.003 0.000 1.081 139 S CA 0.189 58.392 58.200 0.003 0.000 0.887 139 S CB -0.495 62.707 63.200 0.003 0.000 0.805 139 S HN 0.859 nan 8.310 nan 0.000 0.486 140 D N 1.831 122.233 120.400 0.003 0.000 2.382 140 D HA 0.370 5.010 4.640 0.000 0.000 0.240 140 D C 0.783 177.085 176.300 0.002 0.000 1.146 140 D CA -0.154 53.847 54.000 0.002 0.000 0.897 140 D CB 0.730 41.531 40.800 0.003 0.000 1.197 140 D HN 0.004 nan 8.370 nan 0.000 0.432 141 S N 0.320 116.021 115.700 0.002 0.000 2.419 141 S HA -0.182 4.288 4.470 0.000 0.000 0.233 141 S C 1.560 176.161 174.600 0.002 0.000 1.016 141 S CA 0.860 59.061 58.200 0.002 0.000 0.974 141 S CB -0.324 62.877 63.200 0.001 0.000 0.786 141 S HN 0.593 nan 8.310 nan 0.000 0.492 142 K N 1.692 122.093 120.400 0.002 0.000 1.973 142 K HA -0.119 4.201 4.320 0.000 0.000 0.212 142 K C 2.338 178.940 176.600 0.002 0.000 1.047 142 K CA 1.317 57.605 56.287 0.002 0.000 0.937 142 K CB -0.498 32.003 32.500 0.001 0.000 0.721 142 K HN 0.257 nan 8.250 nan 0.000 0.440 143 A N 1.751 124.573 122.820 0.003 0.000 1.884 143 A HA -0.237 4.083 4.320 0.000 0.000 0.219 143 A C 2.182 179.768 177.584 0.004 0.000 1.197 143 A CA 2.157 54.196 52.037 0.004 0.000 0.637 143 A CB -0.925 18.078 19.000 0.005 0.000 0.827 143 A HN 0.451 nan 8.150 nan 0.000 0.450 144 I N -0.438 120.135 120.570 0.005 0.000 2.151 144 I HA -0.354 3.816 4.170 0.000 0.000 0.243 144 I C 2.997 179.118 176.117 0.006 0.000 1.080 144 I CA 1.352 62.655 61.300 0.006 0.000 1.339 144 I CB -0.549 37.454 38.000 0.005 0.000 1.039 144 I HN 0.407 nan 8.210 nan 0.000 0.409 145 A N 0.074 122.897 122.820 0.004 0.000 1.978 145 A HA -0.264 4.056 4.320 0.000 0.000 0.220 145 A C 2.215 179.801 177.584 0.003 0.000 1.170 145 A CA 1.601 53.641 52.037 0.004 0.000 0.636 145 A CB -0.625 18.376 19.000 0.002 0.000 0.810 145 A HN 0.529 nan 8.150 nan 0.000 0.448 146 Q N -0.501 119.300 119.800 0.003 0.000 2.224 146 Q HA -0.097 4.244 4.340 0.000 0.000 0.203 146 Q C 2.119 178.121 176.000 0.003 0.000 0.970 146 Q CA 1.631 57.435 55.803 0.001 0.000 0.865 146 Q CB -0.344 28.394 28.738 0.000 0.000 0.922 146 Q HN 0.795 nan 8.270 nan 0.000 0.445 147 V N -3.722 116.196 119.914 0.006 0.000 2.599 147 V HA 0.135 4.255 4.120 0.000 0.000 0.245 147 V C 1.956 178.057 176.094 0.012 0.000 1.046 147 V CA 1.536 63.842 62.300 0.009 0.000 1.065 147 V CB -0.969 30.862 31.823 0.013 0.000 0.703 147 V HN 0.221 nan 8.190 nan 0.000 0.464 148 G N 0.609 109.417 108.800 0.014 0.000 2.421 148 G HA2 -0.205 3.755 3.960 0.000 0.000 0.216 148 G HA3 -0.205 3.755 3.960 0.000 0.000 0.216 148 G C 1.563 176.470 174.900 0.012 0.000 1.171 148 G CA 1.653 46.763 45.100 0.017 0.000 0.775 148 G HN 0.470 nan 8.290 nan 0.000 0.543 149 T N 1.162 115.719 114.554 0.006 0.000 2.665 149 T HA -0.186 4.164 4.350 0.000 0.000 0.268 149 T C 2.295 176.994 174.700 -0.000 0.000 1.035 149 T CA 1.357 63.458 62.100 0.002 0.000 1.151 149 T CB -0.206 68.662 68.868 -0.001 0.000 0.862 149 T HN 0.162 nan 8.240 nan 0.000 0.438 150 I N 0.748 121.318 120.570 -0.001 0.000 2.286 150 I HA -0.116 4.054 4.170 0.000 0.000 0.248 150 I C 2.575 178.691 176.117 -0.000 0.000 1.115 150 I CA 1.187 62.484 61.300 -0.004 0.000 1.392 150 I CB -0.456 37.541 38.000 -0.004 0.000 1.065 150 I HN 0.133 nan 8.210 nan 0.000 0.418 151 S N 0.332 116.035 115.700 0.006 0.000 2.383 151 S HA 0.039 4.509 4.470 0.000 0.000 0.227 151 S C 1.649 176.252 174.600 0.006 0.000 1.026 151 S CA 0.700 58.905 58.200 0.008 0.000 0.981 151 S CB -0.471 62.740 63.200 0.018 0.000 0.818 151 S HN 0.488 nan 8.310 nan 0.000 0.472 152 A N 1.723 124.547 122.820 0.007 0.000 3.135 152 A HA 0.355 4.675 4.320 0.000 0.000 0.253 152 A C 0.527 178.111 177.584 -0.000 0.000 1.638 152 A CA -0.176 51.864 52.037 0.005 0.000 1.295 152 A CB -1.627 17.378 19.000 0.008 0.000 1.106 152 A HN 0.758 nan 8.150 nan 0.000 0.648 153 N N 0.844 119.542 118.700 -0.003 0.000 2.704 153 N HA -0.275 4.465 4.740 0.000 0.000 0.259 153 N C 0.045 175.550 175.510 -0.008 0.000 0.957 153 N CA 0.564 53.611 53.050 -0.006 0.000 0.804 153 N CB -0.541 37.942 38.487 -0.007 0.000 0.917 153 N HN 0.645 nan 8.380 nan 0.000 0.545 154 S N -1.221 114.473 115.700 -0.009 0.000 3.576 154 S HA -0.180 4.290 4.470 0.000 0.000 0.294 154 S C -0.574 174.021 174.600 -0.009 0.000 1.224 154 S CA 0.686 58.879 58.200 -0.012 0.000 0.866 154 S CB -0.936 62.254 63.200 -0.017 0.000 1.017 154 S HN 0.691 nan 8.310 nan 0.000 0.597 155 D N 1.159 121.556 120.400 -0.005 0.000 2.443 155 D HA 0.304 4.944 4.640 0.000 0.000 0.221 155 D C 1.110 177.409 176.300 -0.002 0.000 1.097 155 D CA -0.352 53.646 54.000 -0.003 0.000 0.865 155 D CB 0.662 41.461 40.800 -0.001 0.000 1.034 155 D HN 0.450 nan 8.370 nan 0.000 0.511 156 E N 1.258 121.455 120.200 -0.004 0.000 2.058 156 E HA -0.167 4.183 4.350 0.000 0.000 0.194 156 E C 1.571 178.170 176.600 -0.001 0.000 0.997 156 E CA 1.376 57.775 56.400 -0.003 0.000 0.801 156 E CB 0.118 29.815 29.700 -0.005 0.000 0.746 156 E HN 0.471 nan 8.360 nan 0.000 0.450 157 T N 1.031 115.585 114.554 -0.001 0.000 2.714 157 T HA -0.190 4.160 4.350 0.000 0.000 0.268 157 T C 1.999 176.701 174.700 0.002 0.000 1.036 157 T CA 1.415 63.515 62.100 0.000 0.000 1.148 157 T CB -0.272 68.596 68.868 0.000 0.000 0.856 157 T HN -0.010 nan 8.240 nan 0.000 0.462 158 V N 1.205 121.121 119.914 0.004 0.000 2.231 158 V HA 0.010 4.130 4.120 0.000 0.000 0.240 158 V C 2.928 179.026 176.094 0.007 0.000 1.039 158 V CA 1.831 64.135 62.300 0.007 0.000 0.998 158 V CB -1.574 30.254 31.823 0.009 0.000 0.639 158 V HN 0.519 nan 8.190 nan 0.000 0.451 159 G N 0.510 109.314 108.800 0.006 0.000 2.556 159 G HA2 -0.430 3.530 3.960 0.000 0.000 0.220 159 G HA3 -0.430 3.530 3.960 0.000 0.000 0.220 159 G C 1.549 176.452 174.900 0.004 0.000 1.156 159 G CA 1.801 46.904 45.100 0.006 0.000 0.766 159 G HN 0.490 nan 8.290 nan 0.000 0.583 160 K N 0.293 120.695 120.400 0.003 0.000 1.987 160 K HA -0.096 4.224 4.320 0.000 0.000 0.216 160 K C 2.346 178.947 176.600 0.002 0.000 1.051 160 K CA 1.485 57.773 56.287 0.002 0.000 0.942 160 K CB -1.034 31.466 32.500 0.000 0.000 0.722 160 K HN 0.224 nan 8.250 nan 0.000 0.444 161 L N 0.961 122.186 121.223 0.003 0.000 1.971 161 L HA -0.114 4.226 4.340 0.000 0.000 0.215 161 L C 2.326 179.198 176.870 0.003 0.000 1.072 161 L CA 1.839 56.681 54.840 0.003 0.000 0.758 161 L CB -0.645 41.416 42.059 0.004 0.000 0.889 161 L HN 0.393 nan 8.230 nan 0.000 0.433 162 I N -0.773 119.800 120.570 0.005 0.000 2.113 162 I HA -0.413 3.757 4.170 0.000 0.000 0.242 162 I C 2.601 178.719 176.117 0.003 0.000 1.064 162 I CA 1.492 62.795 61.300 0.005 0.000 1.320 162 I CB -0.849 37.156 38.000 0.009 0.000 1.028 162 I HN 0.395 nan 8.210 nan 0.000 0.406 163 A N 0.559 123.381 122.820 0.003 0.000 1.903 163 A HA -0.292 4.028 4.320 0.000 0.000 0.219 163 A C 2.191 179.776 177.584 0.001 0.000 1.191 163 A CA 2.240 54.278 52.037 0.002 0.000 0.638 163 A CB -0.781 18.220 19.000 0.002 0.000 0.823 163 A HN 0.533 nan 8.150 nan 0.000 0.451 164 E N -0.421 119.779 120.200 0.000 0.000 2.012 164 E HA -0.162 4.188 4.350 0.000 0.000 0.197 164 E C 2.448 179.047 176.600 -0.001 0.000 1.007 164 E CA 1.015 57.414 56.400 -0.001 0.000 0.816 164 E CB -0.452 29.248 29.700 -0.001 0.000 0.762 164 E HN 0.608 nan 8.360 nan 0.000 0.451 165 A N 1.879 124.698 122.820 -0.001 0.000 1.870 165 A HA -0.315 4.005 4.320 0.000 0.000 0.219 165 A C 2.304 179.886 177.584 -0.003 0.000 1.224 165 A CA 2.558 54.594 52.037 -0.002 0.000 0.650 165 A CB -0.916 18.082 19.000 -0.002 0.000 0.836 165 A HN 0.202 nan 8.150 nan 0.000 0.454 166 M N -1.250 118.348 119.600 -0.004 0.000 2.089 166 M HA -0.243 4.237 4.480 0.000 0.000 0.257 166 M C 1.937 178.235 176.300 -0.003 0.000 1.071 166 M CA 2.287 57.585 55.300 -0.004 0.000 1.096 166 M CB -0.908 31.690 32.600 -0.003 0.000 1.330 166 M HN 0.597 nan 8.290 nan 0.000 0.403 167 D N 0.003 120.402 120.400 -0.002 0.000 2.311 167 D HA -0.142 4.498 4.640 0.000 0.000 0.212 167 D C 1.751 178.049 176.300 -0.003 0.000 0.972 167 D CA 1.278 55.277 54.000 -0.002 0.000 0.887 167 D CB 0.277 41.076 40.800 -0.001 0.000 0.915 167 D HN 0.111 nan 8.370 nan 0.000 0.497 168 K N -0.600 119.798 120.400 -0.003 0.000 2.183 168 K HA 0.092 4.412 4.320 0.000 0.000 0.218 168 K C 1.970 178.568 176.600 -0.004 0.000 1.025 168 K CA 1.030 57.315 56.287 -0.004 0.000 0.944 168 K CB -0.655 31.843 32.500 -0.004 0.000 0.936 168 K HN 0.004 nan 8.250 nan 0.000 0.460 169 V N -0.981 118.931 119.914 -0.004 0.000 2.909 169 V HA 0.009 4.129 4.120 0.000 0.000 0.265 169 V C 1.068 177.160 176.094 -0.004 0.000 1.128 169 V CA 1.348 63.646 62.300 -0.004 0.000 1.149 169 V CB -1.872 29.948 31.823 -0.004 0.000 0.725 169 V HN 0.509 nan 8.190 nan 0.000 0.511 170 G N 0.295 109.093 108.800 -0.004 0.000 2.545 170 G HA2 -0.228 3.732 3.960 0.000 0.000 0.216 170 G HA3 -0.228 3.732 3.960 0.000 0.000 0.216 170 G C 0.190 175.088 174.900 -0.003 0.000 1.314 170 G CA 0.229 45.328 45.100 -0.003 0.000 0.906 170 G HN 0.398 nan 8.290 nan 0.000 0.563 171 K N 0.324 120.722 120.400 -0.002 0.000 2.166 171 K HA 0.157 4.477 4.320 0.000 0.000 0.201 171 K C 1.830 178.429 176.600 -0.003 0.000 1.052 171 K CA 1.340 57.626 56.287 -0.002 0.000 0.969 171 K CB 0.221 32.720 32.500 -0.001 0.000 0.761 171 K HN 0.531 nan 8.250 nan 0.000 0.459 172 E N 0.925 121.124 120.200 -0.001 0.000 2.476 172 E HA 0.074 4.424 4.350 0.000 0.000 0.196 172 E C 0.369 176.969 176.600 -0.001 0.000 1.029 172 E CA -0.447 55.953 56.400 -0.000 0.000 0.896 172 E CB 0.828 30.530 29.700 0.002 0.000 1.012 172 E HN 0.199 nan 8.360 nan 0.000 0.475 173 G N 1.016 109.815 108.800 -0.003 0.000 2.527 173 G HA2 0.288 4.248 3.960 0.000 0.000 0.248 173 G HA3 0.288 4.248 3.960 0.000 0.000 0.248 173 G C 0.081 174.978 174.900 -0.005 0.000 1.231 173 G CA -0.399 44.700 45.100 -0.003 0.000 0.838 173 G HN -0.047 nan 8.290 nan 0.000 0.570 174 V N 1.719 121.632 119.914 -0.003 0.000 2.716 174 V HA 0.570 4.690 4.120 0.000 0.000 0.304 174 V C 0.229 176.318 176.094 -0.008 0.000 1.053 174 V CA -0.481 61.816 62.300 -0.006 0.000 0.984 174 V CB 1.529 33.353 31.823 0.003 0.000 1.021 174 V HN 0.579 nan 8.190 nan 0.000 0.467 175 I N 2.761 123.321 120.570 -0.016 0.000 2.571 175 I HA 0.553 4.723 4.170 0.000 0.000 0.289 175 I C -0.432 175.675 176.117 -0.017 0.000 1.115 175 I CA -0.292 60.999 61.300 -0.015 0.000 1.045 175 I CB 2.446 40.433 38.000 -0.021 0.000 1.238 175 I HN 0.789 nan 8.210 nan 0.000 0.424 176 T N 2.256 116.808 114.554 -0.004 0.000 2.903 176 T HA 0.679 5.029 4.350 0.000 0.000 0.299 176 T C -1.080 173.626 174.700 0.010 0.000 1.093 176 T CA -0.866 61.236 62.100 0.003 0.000 1.002 176 T CB 2.337 71.211 68.868 0.010 0.000 1.127 176 T HN 0.320 nan 8.240 nan 0.000 0.488 177 V N 1.390 121.315 119.914 0.018 0.000 2.459 177 V HA 0.729 4.849 4.120 0.000 0.000 0.295 177 V C -1.073 175.033 176.094 0.020 0.000 1.029 177 V CA -0.344 61.969 62.300 0.021 0.000 0.874 177 V CB 1.285 33.125 31.823 0.029 0.000 0.985 177 V HN 1.078 nan 8.190 nan 0.000 0.438 178 E N 3.730 123.940 120.200 0.017 0.000 2.393 178 E HA 0.429 4.779 4.350 0.000 0.000 0.273 178 E C -1.604 175.004 176.600 0.013 0.000 0.918 178 E CA -0.978 55.431 56.400 0.015 0.000 0.773 178 E CB 1.609 31.317 29.700 0.014 0.000 1.275 178 E HN 0.662 nan 8.360 nan 0.000 0.451 179 D N 1.381 121.789 120.400 0.012 0.000 2.458 179 D HA 0.142 4.782 4.640 0.000 0.000 0.243 179 D C 0.210 176.515 176.300 0.009 0.000 1.146 179 D CA 0.405 54.411 54.000 0.010 0.000 0.877 179 D CB 1.089 41.895 40.800 0.010 0.000 1.176 179 D HN 0.498 nan 8.370 nan 0.000 0.461 180 G N 0.475 109.280 108.800 0.008 0.000 2.557 180 G HA2 0.313 4.273 3.960 0.000 0.000 0.292 180 G HA3 0.313 4.273 3.960 0.000 0.000 0.292 180 G C 1.104 176.008 174.900 0.006 0.000 1.237 180 G CA -0.043 45.061 45.100 0.007 0.000 0.978 180 G HN 0.433 nan 8.290 nan 0.000 0.498 181 T N -1.709 112.848 114.554 0.005 0.000 2.815 181 T HA 0.234 4.584 4.350 0.000 0.000 0.244 181 T C 1.836 176.538 174.700 0.003 0.000 1.040 181 T CA 1.040 63.142 62.100 0.004 0.000 1.176 181 T CB -0.891 67.979 68.868 0.003 0.000 0.880 181 T HN 0.773 nan 8.240 nan 0.000 0.414 182 G N 0.923 109.725 108.800 0.003 0.000 2.393 182 G HA2 0.368 4.328 3.960 0.000 0.000 0.268 182 G HA3 0.368 4.328 3.960 0.000 0.000 0.268 182 G C 0.587 175.488 174.900 0.002 0.000 1.472 182 G CA -0.091 45.010 45.100 0.002 0.000 1.059 182 G HN 0.495 nan 8.290 nan 0.000 0.555 183 L N -0.776 120.448 121.223 0.002 0.000 2.731 183 L HA 0.219 4.559 4.340 0.000 0.000 0.240 183 L C 0.450 177.321 176.870 0.002 0.000 1.120 183 L CA 0.048 54.889 54.840 0.002 0.000 0.913 183 L CB 0.174 42.233 42.059 0.001 0.000 1.213 183 L HN 0.322 nan 8.230 nan 0.000 0.515 184 Q N 0.320 120.121 119.800 0.002 0.000 2.230 184 Q HA 0.249 4.589 4.340 0.000 0.000 0.248 184 Q C -0.667 175.335 176.000 0.002 0.000 0.915 184 Q CA -0.310 55.494 55.803 0.001 0.000 0.900 184 Q CB 1.036 29.774 28.738 0.001 0.000 1.229 184 Q HN -0.032 nan 8.270 nan 0.000 0.439 185 D N 1.521 121.922 120.400 0.003 0.000 2.345 185 D HA 0.123 4.763 4.640 0.000 0.000 0.247 185 D C -0.529 175.773 176.300 0.003 0.000 1.108 185 D CA 0.084 54.087 54.000 0.004 0.000 0.894 185 D CB 1.047 41.850 40.800 0.004 0.000 1.203 185 D HN 0.472 nan 8.370 nan 0.000 0.430 186 E N 1.135 121.337 120.200 0.004 0.000 2.292 186 E HA 0.357 4.707 4.350 0.000 0.000 0.272 186 E C -1.715 174.887 176.600 0.003 0.000 0.881 186 E CA -0.856 55.546 56.400 0.003 0.000 0.754 186 E CB 1.753 31.454 29.700 0.002 0.000 1.201 186 E HN 0.117 nan 8.360 nan 0.000 0.425 187 L N 4.054 125.278 121.223 0.002 0.000 2.287 187 L HA 0.506 4.846 4.340 0.000 0.000 0.287 187 L C -1.524 175.346 176.870 0.000 0.000 1.022 187 L CA -0.231 54.609 54.840 0.002 0.000 0.814 187 L CB 1.312 43.371 42.059 0.001 0.000 1.217 187 L HN 0.434 nan 8.230 nan 0.000 0.420 188 D N 4.215 124.616 120.400 0.001 0.000 2.278 188 D HA 0.524 5.164 4.640 0.000 0.000 0.245 188 D C -0.943 175.357 176.300 -0.001 0.000 1.052 188 D CA -0.003 53.996 54.000 -0.000 0.000 0.834 188 D CB 2.444 43.245 40.800 0.001 0.000 1.194 188 D HN 0.277 nan 8.370 nan 0.000 0.481 189 V N 2.407 122.319 119.914 -0.003 0.000 2.376 189 V HA 0.227 4.347 4.120 0.000 0.000 0.287 189 V C 0.160 176.251 176.094 -0.006 0.000 1.015 189 V CA -0.895 61.402 62.300 -0.004 0.000 0.834 189 V CB 1.777 33.597 31.823 -0.005 0.000 1.001 189 V HN 0.289 nan 8.190 nan 0.000 0.428 190 V N 4.589 124.500 119.914 -0.005 0.000 2.555 190 V HA 0.265 4.385 4.120 0.000 0.000 0.286 190 V C 0.346 176.433 176.094 -0.012 0.000 1.044 190 V CA -0.278 62.017 62.300 -0.009 0.000 1.026 190 V CB 1.077 32.897 31.823 -0.004 0.000 0.981 190 V HN 0.765 nan 8.190 nan 0.000 0.480 191 E N 3.523 123.712 120.200 -0.018 0.000 2.134 191 E HA 0.559 4.909 4.350 0.000 0.000 0.278 191 E C 0.698 177.281 176.600 -0.028 0.000 0.959 191 E CA 0.735 57.122 56.400 -0.021 0.000 0.783 191 E CB 1.485 31.173 29.700 -0.021 0.000 1.095 191 E HN 0.936 nan 8.360 nan 0.000 0.399 192 G N 3.069 111.854 108.800 -0.026 0.000 2.514 192 G HA2 -0.301 3.659 3.960 0.000 0.000 0.265 192 G HA3 -0.301 3.659 3.960 0.000 0.000 0.265 192 G C -0.287 174.590 174.900 -0.038 0.000 1.150 192 G CA 0.239 45.320 45.100 -0.032 0.000 0.959 192 G HN 0.467 nan 8.290 nan 0.000 0.556 193 M N 1.388 120.953 119.600 -0.058 0.000 2.294 193 M HA 0.762 5.242 4.480 0.000 0.000 0.335 193 M C -0.370 175.851 176.300 -0.132 0.000 1.079 193 M CA -0.353 54.900 55.300 -0.078 0.000 0.982 193 M CB 1.437 33.987 32.600 -0.082 0.000 1.651 193 M HN 1.073 nan 8.290 nan 0.000 0.437 194 Q N 3.749 123.467 119.800 -0.138 0.000 2.721 194 Q HA 0.516 4.856 4.340 0.000 0.000 0.282 194 Q C -2.207 173.752 176.000 -0.069 0.000 0.932 194 Q CA -0.648 55.032 55.803 -0.206 0.000 0.816 194 Q CB 1.459 30.131 28.738 -0.110 0.000 1.506 194 Q HN 0.711 nan 8.270 nan 0.000 0.399 195 F N -0.042 119.909 119.950 0.001 0.000 2.894 195 F HA 0.527 5.054 4.527 0.000 0.000 0.332 195 F C -0.527 175.276 175.800 0.004 0.000 1.192 195 F CA -1.306 56.697 58.000 0.006 0.000 0.980 195 F CB 0.072 39.078 39.000 0.011 0.000 1.448 195 F HN 0.461 nan 8.300 nan 0.000 0.514 196 D N -0.321 120.288 120.400 0.348 0.000 3.134 196 D HA 0.336 4.976 4.640 0.000 0.000 0.248 196 D C 0.140 176.466 176.300 0.043 0.000 1.273 196 D CA 0.087 54.177 54.000 0.150 0.000 0.904 196 D CB -0.426 40.407 40.800 0.055 0.000 1.089 196 D HN 0.877 nan 8.370 nan 0.000 0.478 197 R N -0.040 120.557 120.500 0.162 0.000 2.476 197 R HA 0.675 5.015 4.340 0.000 0.000 0.305 197 R C 0.245 176.661 176.300 0.193 0.000 0.965 197 R CA -0.397 55.730 56.100 0.045 0.000 0.867 197 R CB 0.968 31.116 30.300 -0.253 0.000 1.176 197 R HN 0.303 nan 8.270 nan 0.000 0.447 198 G N 0.476 109.346 108.800 0.116 0.000 2.532 198 G HA2 0.538 4.498 3.960 0.000 0.000 0.291 198 G HA3 0.538 4.498 3.960 0.000 0.000 0.291 198 G C -0.421 174.606 174.900 0.212 0.000 1.349 198 G CA -0.272 44.891 45.100 0.105 0.000 1.038 198 G HN 0.961 nan 8.290 nan 0.000 0.518 199 Y N -0.503 119.840 120.300 0.072 0.000 2.310 199 Y HA 0.588 5.138 4.550 0.000 0.000 0.326 199 Y C 0.516 176.455 175.900 0.065 0.000 1.151 199 Y CA -2.375 55.767 58.100 0.071 0.000 1.195 199 Y CB 0.848 39.349 38.460 0.070 0.000 1.210 199 Y HN 0.120 nan 8.280 nan 0.000 0.483 200 L N 2.379 123.699 121.223 0.162 0.000 2.209 200 L HA 0.034 4.374 4.340 0.000 0.000 0.207 200 L C 1.299 178.147 176.870 -0.036 0.000 1.094 200 L CA 1.348 56.223 54.840 0.058 0.000 0.790 200 L CB -0.846 41.245 42.059 0.053 0.000 0.932 200 L HN 0.743 nan 8.230 nan 0.000 0.447 201 S N 0.146 115.785 115.700 -0.100 0.000 3.170 201 S HA 0.283 4.753 4.470 0.000 0.000 0.257 201 S C -1.602 172.700 174.600 -0.497 0.000 1.284 201 S CA -1.199 56.932 58.200 -0.114 0.000 0.973 201 S CB 0.153 63.328 63.200 -0.042 0.000 1.330 201 S HN 0.066 nan 8.310 nan 0.000 0.493 202 P HA -0.208 nan 4.420 nan 0.000 0.216 202 P C 0.705 177.688 177.300 -0.529 0.000 1.150 202 P CA 1.334 63.760 63.100 -1.124 0.000 0.843 202 P CB -0.212 31.170 31.700 -0.529 0.000 0.787 203 Y N -0.151 119.971 120.300 -0.297 0.000 2.298 203 Y HA -0.116 4.434 4.550 0.000 0.000 0.287 203 Y C 2.545 178.395 175.900 -0.083 0.000 1.164 203 Y CA 0.912 58.934 58.100 -0.130 0.000 1.229 203 Y CB -2.237 36.167 38.460 -0.092 0.000 0.977 203 Y HN -0.109 nan 8.280 nan 0.000 0.538 204 F N 1.563 121.544 119.950 0.052 0.000 2.783 204 F HA 0.400 4.927 4.527 0.000 0.000 0.338 204 F C 0.332 176.260 175.800 0.214 0.000 1.178 204 F CA -0.758 57.301 58.000 0.099 0.000 1.343 204 F CB -1.813 37.237 39.000 0.083 0.000 1.496 204 F HN -0.021 nan 8.300 nan 0.000 0.583 205 I N 1.856 122.555 120.570 0.215 0.000 2.315 205 I HA 0.124 4.294 4.170 0.000 0.000 0.291 205 I C 1.116 177.312 176.117 0.133 0.000 1.006 205 I CA -0.410 61.041 61.300 0.252 0.000 1.265 205 I CB 1.013 39.143 38.000 0.217 0.000 1.387 205 I HN 0.536 nan 8.210 nan 0.000 0.475 206 N N 6.619 125.381 118.700 0.104 0.000 2.097 206 N HA -0.095 4.645 4.740 0.000 0.000 0.184 206 N C 1.399 176.936 175.510 0.045 0.000 1.082 206 N CA 1.373 54.461 53.050 0.063 0.000 0.909 206 N CB 0.220 38.733 38.487 0.044 0.000 1.051 206 N HN 0.586 nan 8.380 nan 0.000 0.449 207 K N 0.464 120.881 120.400 0.028 0.000 2.057 207 K HA 0.145 4.465 4.320 0.000 0.000 0.209 207 K C -1.546 175.064 176.600 0.016 0.000 1.028 207 K CA -0.113 56.185 56.287 0.019 0.000 0.950 207 K CB -1.001 31.504 32.500 0.008 0.000 0.784 207 K HN 0.206 nan 8.250 nan 0.000 0.448 208 P HA 0.060 nan 4.420 nan 0.000 0.273 208 P C -0.831 176.474 177.300 0.008 0.000 1.250 208 P CA -0.032 63.069 63.100 0.003 0.000 0.793 208 P CB 0.697 32.392 31.700 -0.008 0.000 1.011 209 E N -0.558 119.645 120.200 0.005 0.000 2.869 209 E HA 0.290 4.640 4.350 0.000 0.000 0.258 209 E C 0.409 177.008 176.600 -0.002 0.000 1.354 209 E CA 0.025 56.431 56.400 0.010 0.000 1.065 209 E CB -0.591 29.113 29.700 0.007 0.000 1.215 209 E HN 0.428 nan 8.360 nan 0.000 0.659 210 T N -0.788 113.767 114.554 0.003 0.000 5.888 210 T HA -0.141 4.209 4.350 0.000 0.000 0.275 210 T C 0.802 175.481 174.700 -0.036 0.000 2.123 210 T CA 1.194 63.287 62.100 -0.012 0.000 3.523 210 T CB -1.735 67.117 68.868 -0.027 0.000 1.240 210 T HN 1.140 nan 8.240 nan 0.000 1.133 211 G N 0.147 108.949 108.800 0.004 0.000 2.142 211 G HA2 0.123 4.083 3.960 0.000 0.000 0.225 211 G HA3 0.123 4.083 3.960 0.000 0.000 0.225 211 G C 0.134 174.923 174.900 -0.185 0.000 1.015 211 G CA 0.280 45.371 45.100 -0.015 0.000 0.716 211 G HN 1.932 nan 8.290 nan 0.000 0.508 212 A N 0.203 122.981 122.820 -0.070 0.000 2.489 212 A HA 0.582 4.902 4.320 0.000 0.000 0.289 212 A C 0.755 178.326 177.584 -0.021 0.000 1.216 212 A CA 0.469 52.466 52.037 -0.067 0.000 0.883 212 A CB 0.260 19.238 19.000 -0.036 0.000 1.110 212 A HN 1.233 nan 8.150 nan 0.000 0.523 213 V N 3.217 123.106 119.914 -0.042 0.000 2.481 213 V HA 0.354 4.474 4.120 0.000 0.000 0.286 213 V C 0.359 176.452 176.094 -0.003 0.000 1.042 213 V CA -0.311 62.000 62.300 0.019 0.000 0.928 213 V CB 1.259 33.112 31.823 0.050 0.000 0.986 213 V HN 0.894 nan 8.190 nan 0.000 0.462 214 E N 4.185 124.391 120.200 0.010 0.000 3.352 214 E HA 0.300 4.650 4.350 0.000 0.000 0.254 214 E C -1.149 175.449 176.600 -0.004 0.000 1.229 214 E CA -0.330 56.066 56.400 -0.006 0.000 0.949 214 E CB 1.220 30.914 29.700 -0.009 0.000 1.373 214 E HN 0.576 nan 8.360 nan 0.000 0.392 215 L N 2.220 123.441 121.223 -0.003 0.000 2.515 215 L HA 0.118 4.458 4.340 0.000 0.000 0.281 215 L C 0.600 177.450 176.870 -0.033 0.000 1.131 215 L CA -0.044 54.792 54.840 -0.007 0.000 0.905 215 L CB -0.268 41.793 42.059 0.003 0.000 1.246 215 L HN 0.299 nan 8.230 nan 0.000 0.463 216 E N 3.591 123.771 120.200 -0.034 0.000 2.265 216 E HA 0.007 4.357 4.350 0.000 0.000 0.272 216 E C 0.606 177.155 176.600 -0.085 0.000 1.067 216 E CA 0.255 56.625 56.400 -0.051 0.000 0.900 216 E CB 0.442 30.119 29.700 -0.037 0.000 1.017 216 E HN 0.525 nan 8.360 nan 0.000 0.431 217 S N 4.330 119.963 115.700 -0.111 0.000 3.711 217 S HA -0.102 4.368 4.470 0.000 0.000 0.374 217 S C -2.254 172.173 174.600 -0.289 0.000 0.969 217 S CA 0.290 58.381 58.200 -0.182 0.000 1.198 217 S CB -0.997 62.100 63.200 -0.172 0.000 0.903 217 S HN 0.600 nan 8.310 nan 0.000 0.493 218 P HA 0.438 nan 4.420 nan 0.000 0.277 218 P C -0.282 176.813 177.300 -0.342 0.000 1.276 218 P CA -0.419 62.554 63.100 -0.213 0.000 0.788 218 P CB 0.313 31.972 31.700 -0.069 0.000 1.114 219 F N -0.531 119.421 119.950 0.004 0.000 2.477 219 F HA 0.342 4.869 4.527 0.000 0.000 0.335 219 F C 0.396 176.200 175.800 0.006 0.000 1.130 219 F CA -0.697 57.305 58.000 0.004 0.000 0.948 219 F CB 0.792 39.795 39.000 0.005 0.000 1.154 219 F HN 0.007 nan 8.300 nan 0.000 0.439 220 I N 4.461 125.137 120.570 0.176 0.000 2.472 220 I HA 0.351 4.521 4.170 0.000 0.000 0.290 220 I C -0.672 175.506 176.117 0.103 0.000 1.016 220 I CA -0.506 60.858 61.300 0.107 0.000 1.348 220 I CB 1.075 39.112 38.000 0.061 0.000 1.417 220 I HN 0.325 nan 8.210 nan 0.000 0.521 221 L N 7.261 128.534 121.223 0.082 0.000 2.409 221 L HA 0.671 5.011 4.340 0.000 0.000 0.272 221 L C -1.507 175.397 176.870 0.056 0.000 0.980 221 L CA -0.458 54.420 54.840 0.062 0.000 0.826 221 L CB 1.380 43.472 42.059 0.055 0.000 1.268 221 L HN 0.322 nan 8.230 nan 0.000 0.407 222 L N 5.049 126.299 121.223 0.045 0.000 2.362 222 L HA 0.987 5.327 4.340 0.000 0.000 0.275 222 L C 0.069 176.955 176.870 0.027 0.000 0.998 222 L CA -0.090 54.776 54.840 0.043 0.000 0.820 222 L CB 1.452 43.538 42.059 0.045 0.000 1.270 222 L HN 0.777 nan 8.230 nan 0.000 0.415 223 A N 1.168 124.002 122.820 0.022 0.000 2.539 223 A HA 0.867 5.187 4.320 0.000 0.000 0.272 223 A C -0.971 176.612 177.584 -0.001 0.000 1.286 223 A CA -0.371 51.671 52.037 0.008 0.000 0.792 223 A CB 1.006 20.010 19.000 0.006 0.000 1.355 223 A HN 0.664 nan 8.150 nan 0.000 0.472 224 D N -0.400 119.994 120.400 -0.011 0.000 2.837 224 D HA 0.506 5.146 4.640 0.000 0.000 0.340 224 D C -0.163 176.120 176.300 -0.029 0.000 1.451 224 D CA 0.944 54.930 54.000 -0.023 0.000 0.798 224 D CB 0.967 41.752 40.800 -0.025 0.000 1.169 224 D HN 0.837 nan 8.370 nan 0.000 0.449 225 K N -0.738 119.648 120.400 -0.023 0.000 2.685 225 K HA 0.733 5.053 4.320 0.000 0.000 0.290 225 K C -0.296 176.294 176.600 -0.017 0.000 1.018 225 K CA -0.506 55.767 56.287 -0.024 0.000 0.860 225 K CB 0.169 32.656 32.500 -0.021 0.000 1.498 225 K HN 0.126 nan 8.250 nan 0.000 0.390 226 K N 0.143 120.532 120.400 -0.018 0.000 2.140 226 K HA 0.813 5.133 4.320 0.000 0.000 0.237 226 K C 0.169 176.763 176.600 -0.009 0.000 1.045 226 K CA 0.720 56.999 56.287 -0.012 0.000 0.896 226 K CB 0.143 32.635 32.500 -0.013 0.000 1.122 226 K HN 0.904 nan 8.250 nan 0.000 0.503 227 I N 0.637 121.203 120.570 -0.007 0.000 2.926 227 I HA 0.280 4.450 4.170 0.000 0.000 0.295 227 I C 1.423 177.535 176.117 -0.009 0.000 1.463 227 I CA 0.094 61.390 61.300 -0.007 0.000 0.892 227 I CB 0.592 38.589 38.000 -0.004 0.000 1.874 227 I HN 0.816 nan 8.210 nan 0.000 0.620 228 S N 2.413 118.107 115.700 -0.010 0.000 2.396 228 S HA -0.054 4.416 4.470 0.000 0.000 0.204 228 S C 1.667 176.259 174.600 -0.014 0.000 1.060 228 S CA 1.684 59.877 58.200 -0.012 0.000 1.098 228 S CB -0.552 62.642 63.200 -0.011 0.000 1.022 228 S HN 0.537 nan 8.310 nan 0.000 0.413 229 N N 0.026 118.719 118.700 -0.013 0.000 2.230 229 N HA 0.500 5.240 4.740 0.000 0.000 0.202 229 N C 1.202 176.704 175.510 -0.013 0.000 1.119 229 N CA 0.723 53.765 53.050 -0.013 0.000 0.851 229 N CB -0.649 37.830 38.487 -0.013 0.000 0.990 229 N HN 0.962 nan 8.380 nan 0.000 0.497 230 I N -0.290 120.273 120.570 -0.012 0.000 3.528 230 I HA 0.393 4.563 4.170 0.000 0.000 0.298 230 I C 2.601 178.711 176.117 -0.012 0.000 1.281 230 I CA 1.144 62.437 61.300 -0.011 0.000 1.269 230 I CB -2.480 35.514 38.000 -0.011 0.000 1.013 230 I HN 0.773 nan 8.210 nan 0.000 0.512 231 R N 0.911 121.403 120.500 -0.013 0.000 2.267 231 R HA -0.124 4.216 4.340 0.000 0.000 0.259 231 R C 1.318 177.611 176.300 -0.013 0.000 1.192 231 R CA 2.029 58.121 56.100 -0.013 0.000 1.013 231 R CB -2.224 28.067 30.300 -0.016 0.000 0.877 231 R HN 1.691 nan 8.270 nan 0.000 0.474 232 E N 0.122 120.315 120.200 -0.012 0.000 2.585 232 E HA 0.354 4.704 4.350 0.000 0.000 0.252 232 E C 0.852 177.444 176.600 -0.013 0.000 0.981 232 E CA 0.933 57.325 56.400 -0.013 0.000 0.943 232 E CB -0.668 29.024 29.700 -0.012 0.000 0.923 232 E HN 1.335 nan 8.360 nan 0.000 0.486 233 M N -0.697 118.895 119.600 -0.014 0.000 5.720 233 M HA 0.007 4.487 4.480 0.000 0.000 0.685 233 M C 0.389 176.678 176.300 -0.018 0.000 2.399 233 M CA -0.055 55.236 55.300 -0.015 0.000 0.334 233 M CB -0.994 31.599 32.600 -0.013 0.000 1.967 233 M HN 0.334 nan 8.290 nan 0.000 0.745 234 L N 2.137 123.350 121.223 -0.016 0.000 2.197 234 L HA -0.053 4.287 4.340 0.000 0.000 0.215 234 L C -0.475 176.382 176.870 -0.022 0.000 1.095 234 L CA 2.639 57.469 54.840 -0.017 0.000 0.764 234 L CB -2.137 39.913 42.059 -0.015 0.000 0.897 234 L HN 0.403 nan 8.230 nan 0.000 0.436 235 P HA -0.167 nan 4.420 nan 0.000 0.213 235 P C 1.879 179.154 177.300 -0.041 0.000 1.170 235 P CA 1.684 64.766 63.100 -0.030 0.000 0.898 235 P CB -0.035 31.648 31.700 -0.028 0.000 0.787 236 V N 0.876 120.765 119.914 -0.043 0.000 2.324 236 V HA -0.239 3.881 4.120 0.000 0.000 0.250 236 V C 2.832 178.891 176.094 -0.060 0.000 1.060 236 V CA 1.701 63.966 62.300 -0.059 0.000 1.042 236 V CB -1.471 30.324 31.823 -0.046 0.000 0.650 236 V HN 0.035 nan 8.190 nan 0.000 0.450 237 L N 0.560 121.761 121.223 -0.036 0.000 1.937 237 L HA -0.210 4.130 4.340 0.000 0.000 0.213 237 L C 2.967 179.822 176.870 -0.026 0.000 1.077 237 L CA 2.565 57.391 54.840 -0.022 0.000 0.758 237 L CB -0.915 41.137 42.059 -0.012 0.000 0.888 237 L HN 0.430 nan 8.230 nan 0.000 0.433 238 E N 0.012 120.198 120.200 -0.023 0.000 2.233 238 E HA -0.291 4.059 4.350 0.000 0.000 0.199 238 E C 1.960 178.541 176.600 -0.031 0.000 1.004 238 E CA 1.759 58.147 56.400 -0.020 0.000 0.819 238 E CB -1.183 28.506 29.700 -0.019 0.000 0.738 238 E HN 0.795 nan 8.360 nan 0.000 0.478 239 A N 0.046 122.833 122.820 -0.055 0.000 1.933 239 A HA 0.055 4.375 4.320 0.000 0.000 0.218 239 A C 2.675 180.197 177.584 -0.103 0.000 1.175 239 A CA 1.844 53.830 52.037 -0.086 0.000 0.628 239 A CB -0.182 18.744 19.000 -0.122 0.000 0.814 239 A HN 0.556 nan 8.150 nan 0.000 0.444 240 V N -0.743 119.116 119.914 -0.092 0.000 2.599 240 V HA -0.035 4.085 4.120 0.000 0.000 0.245 240 V C 2.933 179.055 176.094 0.047 0.000 1.046 240 V CA 1.201 63.481 62.300 -0.034 0.000 1.065 240 V CB -1.060 30.780 31.823 0.027 0.000 0.703 240 V HN 0.562 nan 8.190 nan 0.000 0.464 241 A N 0.538 123.372 122.820 0.024 0.000 1.948 241 A HA -0.295 4.025 4.320 0.000 0.000 0.220 241 A C 2.324 179.926 177.584 0.029 0.000 1.177 241 A CA 2.358 54.413 52.037 0.029 0.000 0.636 241 A CB -0.473 18.535 19.000 0.013 0.000 0.815 241 A HN 0.404 nan 8.150 nan 0.000 0.449 242 K N 0.161 120.570 120.400 0.016 0.000 2.007 242 K HA 0.011 4.331 4.320 0.000 0.000 0.206 242 K C 2.084 178.707 176.600 0.038 0.000 1.047 242 K CA 1.584 57.880 56.287 0.016 0.000 0.937 242 K CB -0.745 31.753 32.500 -0.003 0.000 0.718 242 K HN 0.330 nan 8.250 nan 0.000 0.438 243 A N 0.310 123.163 122.820 0.054 0.000 2.125 243 A HA 0.035 4.355 4.320 0.000 0.000 0.219 243 A C 1.372 179.037 177.584 0.135 0.000 1.156 243 A CA 1.588 53.695 52.037 0.117 0.000 0.671 243 A CB -0.879 18.241 19.000 0.200 0.000 0.794 243 A HN 0.638 nan 8.150 nan 0.000 0.459 244 G N -0.952 107.915 108.800 0.110 0.000 2.273 244 G HA2 -0.245 3.715 3.960 0.000 0.000 0.280 244 G HA3 -0.245 3.715 3.960 0.000 0.000 0.280 244 G C -0.030 174.929 174.900 0.098 0.000 1.047 244 G CA 0.680 45.832 45.100 0.086 0.000 0.869 244 G HN 0.457 nan 8.290 nan 0.000 0.502 245 K N 0.330 120.832 120.400 0.170 0.000 2.259 245 K HA 0.524 4.844 4.320 0.000 0.000 0.249 245 K C -2.152 174.522 176.600 0.123 0.000 0.942 245 K CA -2.040 54.312 56.287 0.108 0.000 0.816 245 K CB 2.520 35.039 32.500 0.032 0.000 1.155 245 K HN 0.118 nan 8.250 nan 0.000 0.428 246 P HA 0.106 nan 4.420 nan 0.000 0.271 246 P C -0.625 176.733 177.300 0.096 0.000 1.233 246 P CA -0.455 62.676 63.100 0.051 0.000 0.789 246 P CB 0.815 32.520 31.700 0.009 0.000 0.951 247 L N 2.439 123.723 121.223 0.101 0.000 2.408 247 L HA 0.442 4.782 4.340 0.000 0.000 0.268 247 L C -1.082 175.843 176.870 0.092 0.000 0.986 247 L CA -1.065 53.853 54.840 0.129 0.000 0.820 247 L CB 1.868 44.009 42.059 0.136 0.000 1.303 247 L HN 0.297 nan 8.230 nan 0.000 0.411 248 L N 5.186 126.463 121.223 0.091 0.000 2.329 248 L HA 0.614 4.954 4.340 0.000 0.000 0.279 248 L C -1.137 175.782 176.870 0.083 0.000 1.014 248 L CA -0.383 54.503 54.840 0.077 0.000 0.814 248 L CB 1.866 43.957 42.059 0.053 0.000 1.257 248 L HN 0.535 nan 8.230 nan 0.000 0.424 249 I N 5.200 125.821 120.570 0.086 0.000 2.646 249 I HA 0.572 4.742 4.170 0.000 0.000 0.299 249 I C -0.277 175.899 176.117 0.098 0.000 1.036 249 I CA -0.331 61.018 61.300 0.081 0.000 1.074 249 I CB 2.108 40.147 38.000 0.066 0.000 1.258 249 I HN 0.407 nan 8.210 nan 0.000 0.430 250 I N 3.689 124.312 120.570 0.088 0.000 2.692 250 I HA 0.858 5.028 4.170 0.000 0.000 0.293 250 I C -0.395 175.758 176.117 0.061 0.000 1.200 250 I CA -0.404 60.957 61.300 0.101 0.000 1.036 250 I CB 1.962 40.045 38.000 0.139 0.000 1.258 250 I HN 0.817 nan 8.210 nan 0.000 0.421 251 A N 3.963 126.808 122.820 0.041 0.000 2.351 251 A HA 0.417 4.737 4.320 0.000 0.000 0.296 251 A C -0.076 177.503 177.584 -0.007 0.000 1.028 251 A CA -0.484 51.561 52.037 0.013 0.000 0.575 251 A CB 0.348 19.355 19.000 0.011 0.000 1.461 251 A HN 0.569 nan 8.150 nan 0.000 0.589 252 E N 0.030 120.217 120.200 -0.021 0.000 2.130 252 E HA 0.106 4.456 4.350 0.000 0.000 0.196 252 E C 0.350 176.937 176.600 -0.022 0.000 0.998 252 E CA 2.384 58.764 56.400 -0.034 0.000 0.806 252 E CB -0.010 29.665 29.700 -0.041 0.000 0.738 252 E HN 0.698 nan 8.360 nan 0.000 0.459 253 D N -3.498 116.897 120.400 -0.009 0.000 2.943 253 D HA 0.140 4.780 4.640 0.000 0.000 0.331 253 D C -1.914 174.390 176.300 0.006 0.000 1.375 253 D CA -0.355 53.645 54.000 -0.000 0.000 0.746 253 D CB 0.498 41.295 40.800 -0.005 0.000 1.322 253 D HN -0.222 nan 8.370 nan 0.000 0.454 254 V N 1.144 121.063 119.914 0.009 0.000 2.697 254 V HA 0.470 4.590 4.120 0.000 0.000 0.300 254 V C -0.792 175.303 176.094 0.002 0.000 1.115 254 V CA -0.770 61.534 62.300 0.007 0.000 0.912 254 V CB 1.544 33.376 31.823 0.015 0.000 1.024 254 V HN 0.512 nan 8.190 nan 0.000 0.431 255 E N 2.090 122.287 120.200 -0.005 0.000 2.318 255 E HA 0.520 4.870 4.350 0.000 0.000 0.265 255 E C 1.379 177.967 176.600 -0.019 0.000 1.069 255 E CA 0.554 56.948 56.400 -0.010 0.000 0.893 255 E CB 1.334 31.028 29.700 -0.011 0.000 1.076 255 E HN 0.705 nan 8.360 nan 0.000 0.414 256 G N 1.488 110.274 108.800 -0.025 0.000 2.469 256 G HA2 -0.363 3.597 3.960 0.000 0.000 0.220 256 G HA3 -0.363 3.597 3.960 0.000 0.000 0.220 256 G C 1.272 176.141 174.900 -0.052 0.000 1.136 256 G CA 0.904 45.976 45.100 -0.046 0.000 0.759 256 G HN 0.597 nan 8.290 nan 0.000 0.562 257 E N 1.101 121.278 120.200 -0.037 0.000 2.086 257 E HA -0.275 4.075 4.350 0.000 0.000 0.205 257 E C 2.706 179.283 176.600 -0.038 0.000 1.027 257 E CA 1.825 58.204 56.400 -0.035 0.000 0.830 257 E CB -0.471 29.215 29.700 -0.025 0.000 0.751 257 E HN 0.358 nan 8.360 nan 0.000 0.456 258 A N 0.927 123.727 122.820 -0.032 0.000 1.854 258 A HA -0.070 4.250 4.320 0.000 0.000 0.214 258 A C 2.562 180.121 177.584 -0.042 0.000 1.192 258 A CA 1.241 53.261 52.037 -0.029 0.000 0.611 258 A CB -0.774 18.215 19.000 -0.018 0.000 0.832 258 A HN 0.281 nan 8.150 nan 0.000 0.442 259 L N -0.392 120.801 121.223 -0.049 0.000 1.956 259 L HA -0.275 4.065 4.340 0.000 0.000 0.216 259 L C 3.091 179.887 176.870 -0.123 0.000 1.073 259 L CA 1.427 56.221 54.840 -0.075 0.000 0.762 259 L CB -1.019 40.995 42.059 -0.076 0.000 0.889 259 L HN 0.455 nan 8.230 nan 0.000 0.433 260 A N -0.138 122.597 122.820 -0.141 0.000 1.877 260 A HA -0.410 3.910 4.320 0.000 0.000 0.218 260 A C 2.405 179.909 177.584 -0.134 0.000 1.301 260 A CA 3.488 55.422 52.037 -0.171 0.000 0.699 260 A CB -1.564 17.362 19.000 -0.123 0.000 0.844 260 A HN 0.495 nan 8.150 nan 0.000 0.464 261 T N -1.145 113.357 114.554 -0.087 0.000 2.653 261 T HA -0.237 4.113 4.350 0.000 0.000 0.268 261 T C 1.787 176.452 174.700 -0.059 0.000 1.035 261 T CA 2.170 64.233 62.100 -0.063 0.000 1.154 261 T CB -0.578 68.264 68.868 -0.043 0.000 0.862 261 T HN 0.534 nan 8.240 nan 0.000 0.441 262 L N 1.382 122.571 121.223 -0.057 0.000 2.021 262 L HA -0.079 4.261 4.340 0.000 0.000 0.215 262 L C 2.552 179.394 176.870 -0.047 0.000 1.074 262 L CA 1.878 56.694 54.840 -0.040 0.000 0.760 262 L CB -1.155 40.884 42.059 -0.034 0.000 0.889 262 L HN 0.275 nan 8.230 nan 0.000 0.433 263 V N -0.824 119.036 119.914 -0.090 0.000 2.215 263 V HA -0.377 3.743 4.120 0.000 0.000 0.249 263 V C 2.503 178.566 176.094 -0.053 0.000 1.054 263 V CA 2.201 64.443 62.300 -0.098 0.000 1.012 263 V CB -1.058 30.625 31.823 -0.235 0.000 0.639 263 V HN 0.385 nan 8.190 nan 0.000 0.448 264 V N 0.708 120.584 119.914 -0.063 0.000 2.380 264 V HA -0.296 3.824 4.120 0.000 0.000 0.251 264 V C 2.329 178.413 176.094 -0.017 0.000 1.063 264 V CA 2.230 64.509 62.300 -0.034 0.000 1.055 264 V CB -1.060 30.740 31.823 -0.038 0.000 0.657 264 V HN 0.579 nan 8.190 nan 0.000 0.455 265 N N 0.848 119.537 118.700 -0.018 0.000 2.043 265 N HA -0.174 4.566 4.740 0.000 0.000 0.193 265 N C 2.140 177.653 175.510 0.005 0.000 1.037 265 N CA 2.467 55.513 53.050 -0.006 0.000 0.851 265 N CB -0.641 37.843 38.487 -0.006 0.000 1.027 265 N HN 0.732 nan 8.380 nan 0.000 0.422 266 T N -1.053 113.506 114.554 0.008 0.000 2.833 266 T HA -0.079 4.271 4.350 0.000 0.000 0.269 266 T C 2.024 176.737 174.700 0.022 0.000 1.054 266 T CA 0.907 63.019 62.100 0.021 0.000 1.135 266 T CB -0.085 68.800 68.868 0.028 0.000 0.869 266 T HN -0.096 nan 8.240 nan 0.000 0.466 267 M N 2.026 121.636 119.600 0.016 0.000 2.091 267 M HA 0.151 4.631 4.480 0.000 0.000 0.259 267 M C 3.133 179.443 176.300 0.016 0.000 1.076 267 M CA 2.378 57.690 55.300 0.019 0.000 1.111 267 M CB -1.300 31.309 32.600 0.014 0.000 1.291 267 M HN 0.401 nan 8.290 nan 0.000 0.417 268 R N 0.105 120.611 120.500 0.010 0.000 2.316 268 R HA 0.141 4.481 4.340 0.000 0.000 0.232 268 R C 1.667 177.973 176.300 0.011 0.000 1.137 268 R CA 1.674 57.779 56.100 0.009 0.000 1.012 268 R CB -2.139 28.163 30.300 0.004 0.000 0.859 268 R HN 0.933 nan 8.270 nan 0.000 0.474 269 G N -1.266 107.542 108.800 0.014 0.000 2.134 269 G HA2 -0.205 3.755 3.960 0.000 0.000 0.209 269 G HA3 -0.205 3.755 3.960 0.000 0.000 0.209 269 G C 0.957 175.867 174.900 0.016 0.000 0.993 269 G CA 0.330 45.440 45.100 0.016 0.000 0.669 269 G HN 0.496 nan 8.290 nan 0.000 0.519 270 I N -0.337 120.241 120.570 0.014 0.000 2.193 270 I HA 0.131 4.301 4.170 0.000 0.000 0.240 270 I C 1.203 177.332 176.117 0.021 0.000 1.084 270 I CA 1.829 63.138 61.300 0.014 0.000 1.365 270 I CB -0.040 37.964 38.000 0.008 0.000 1.064 270 I HN 0.492 nan 8.210 nan 0.000 0.410 271 V N -1.439 118.489 119.914 0.024 0.000 2.674 271 V HA 0.314 4.434 4.120 0.000 0.000 0.279 271 V C -0.762 175.355 176.094 0.037 0.000 1.051 271 V CA -1.139 61.181 62.300 0.034 0.000 0.912 271 V CB 0.797 32.641 31.823 0.033 0.000 1.044 271 V HN 0.100 nan 8.190 nan 0.000 0.464 272 K N 3.433 123.858 120.400 0.041 0.000 2.382 272 K HA 0.642 4.962 4.320 0.000 0.000 0.286 272 K C -0.461 176.170 176.600 0.052 0.000 1.062 272 K CA 0.048 56.361 56.287 0.042 0.000 1.000 272 K CB 1.232 33.755 32.500 0.038 0.000 0.954 272 K HN 0.669 nan 8.250 nan 0.000 0.470 273 V N 0.662 120.608 119.914 0.053 0.000 3.112 273 V HA 0.857 4.977 4.120 0.000 0.000 0.310 273 V C -1.064 175.071 176.094 0.068 0.000 1.364 273 V CA -1.024 61.312 62.300 0.061 0.000 1.058 273 V CB 2.050 33.906 31.823 0.055 0.000 1.079 273 V HN 0.862 nan 8.190 nan 0.000 0.463 274 A N -0.079 122.787 122.820 0.076 0.000 2.517 274 A HA 0.959 5.279 4.320 0.000 0.000 0.296 274 A C -1.285 176.359 177.584 0.100 0.000 0.983 274 A CA 0.042 52.136 52.037 0.094 0.000 0.634 274 A CB 0.786 19.873 19.000 0.144 0.000 1.341 274 A HN 2.456 nan 8.150 nan 0.000 0.438 275 A N -0.548 122.339 122.820 0.112 0.000 2.594 275 A HA 0.946 5.266 4.320 0.000 0.000 0.295 275 A C -0.674 176.996 177.584 0.143 0.000 1.071 275 A CA -0.013 52.092 52.037 0.113 0.000 0.685 275 A CB 1.248 20.296 19.000 0.079 0.000 1.285 275 A HN 2.431 nan 8.150 nan 0.000 0.405 276 V N -0.859 119.148 119.914 0.155 0.000 2.876 276 V HA 0.708 4.828 4.120 0.000 0.000 0.312 276 V C -0.142 176.027 176.094 0.124 0.000 1.085 276 V CA -0.968 61.433 62.300 0.168 0.000 0.945 276 V CB 1.467 33.432 31.823 0.236 0.000 1.017 276 V HN 1.143 nan 8.190 nan 0.000 0.428 277 K N 2.257 122.694 120.400 0.061 0.000 2.286 277 K HA 0.575 4.895 4.320 0.000 0.000 0.256 277 K C 0.633 177.193 176.600 -0.067 0.000 0.999 277 K CA 0.451 56.738 56.287 -0.000 0.000 0.908 277 K CB 0.994 33.477 32.500 -0.030 0.000 0.981 277 K HN 1.198 nan 8.250 nan 0.000 0.500 278 A N 3.231 125.999 122.820 -0.088 0.000 2.372 278 A HA 0.244 4.564 4.320 0.000 0.000 0.271 278 A C -1.758 175.606 177.584 -0.366 0.000 1.470 278 A CA -0.918 51.030 52.037 -0.149 0.000 0.827 278 A CB -0.817 18.157 19.000 -0.044 0.000 1.405 278 A HN 0.731 nan 8.150 nan 0.000 0.536 279 P HA -0.011 nan 4.420 nan 0.000 0.203 279 P C 1.102 178.292 177.300 -0.184 0.000 0.967 279 P CA 2.288 65.212 63.100 -0.293 0.000 0.946 279 P CB 0.009 31.646 31.700 -0.104 0.000 0.690 280 G N -3.052 105.706 108.800 -0.071 0.000 2.704 280 G HA2 0.152 4.112 3.960 0.000 0.000 0.151 280 G HA3 0.152 4.112 3.960 0.000 0.000 0.151 280 G C -0.631 174.303 174.900 0.057 0.000 1.372 280 G CA -0.021 45.074 45.100 -0.009 0.000 0.765 280 G HN 0.246 nan 8.290 nan 0.000 0.680 281 F N 2.534 122.453 119.950 -0.051 0.000 2.380 281 F HA 0.567 5.094 4.527 0.000 0.000 0.325 281 F C 1.577 177.355 175.800 -0.035 0.000 1.136 281 F CA 0.213 58.189 58.000 -0.040 0.000 1.171 281 F CB 1.511 40.487 39.000 -0.040 0.000 1.230 281 F HN 0.327 nan 8.300 nan 0.000 0.554 282 G N 1.985 110.017 108.800 -1.280 0.000 2.721 282 G HA2 -0.325 3.635 3.960 0.000 0.000 0.218 282 G HA3 -0.325 3.635 3.960 0.000 0.000 0.218 282 G C 1.172 175.808 174.900 -0.439 0.000 1.265 282 G CA 1.269 45.856 45.100 -0.854 0.000 0.796 282 G HN 0.743 nan 8.290 nan 0.000 0.620 283 D N 0.005 120.207 120.400 -0.331 0.000 2.218 283 D HA -0.068 4.572 4.640 0.000 0.000 0.204 283 D C 2.281 178.632 176.300 0.085 0.000 0.976 283 D CA 0.650 54.664 54.000 0.024 0.000 0.853 283 D CB -0.079 40.843 40.800 0.202 0.000 0.939 283 D HN 0.365 nan 8.370 nan 0.000 0.481 284 R N 1.513 122.120 120.500 0.178 0.000 2.127 284 R HA -0.162 4.178 4.340 0.000 0.000 0.219 284 R C 2.547 178.872 176.300 0.042 0.000 1.133 284 R CA 1.502 57.678 56.100 0.126 0.000 0.890 284 R CB -0.150 30.262 30.300 0.186 0.000 0.804 284 R HN 0.075 nan 8.270 nan 0.000 0.443 285 R N 0.939 121.446 120.500 0.012 0.000 2.179 285 R HA -0.249 4.091 4.340 0.000 0.000 0.238 285 R C 2.174 178.472 176.300 -0.002 0.000 1.119 285 R CA 2.409 58.502 56.100 -0.013 0.000 0.915 285 R CB -0.967 29.304 30.300 -0.049 0.000 0.870 285 R HN 0.319 nan 8.270 nan 0.000 0.432 286 K N 0.695 121.080 120.400 -0.025 0.000 2.089 286 K HA -0.181 4.139 4.320 0.000 0.000 0.210 286 K C 2.409 179.010 176.600 0.003 0.000 1.048 286 K CA 1.828 58.104 56.287 -0.018 0.000 0.926 286 K CB -0.429 32.046 32.500 -0.041 0.000 0.714 286 K HN 0.459 nan 8.250 nan 0.000 0.448 287 A N 1.141 123.967 122.820 0.009 0.000 1.978 287 A HA -0.115 4.205 4.320 0.000 0.000 0.220 287 A C 1.264 178.863 177.584 0.026 0.000 1.170 287 A CA 1.198 53.246 52.037 0.018 0.000 0.636 287 A CB -0.300 18.715 19.000 0.025 0.000 0.810 287 A HN 0.231 nan 8.150 nan 0.000 0.448 288 M N -0.090 119.530 119.600 0.034 0.000 2.131 288 M HA 0.499 4.979 4.480 0.000 0.000 0.345 288 M C -0.244 176.094 176.300 0.063 0.000 1.060 288 M CA 0.082 55.413 55.300 0.052 0.000 1.011 288 M CB 0.940 33.582 32.600 0.070 0.000 1.328 288 M HN 0.299 nan 8.290 nan 0.000 0.396 289 L N -0.274 120.979 121.223 0.051 0.000 1.465 289 L HA -0.030 4.310 4.340 0.000 0.000 0.144 289 L C 1.528 178.421 176.870 0.039 0.000 1.333 289 L CA 0.046 54.919 54.840 0.053 0.000 1.203 289 L CB -0.307 41.777 42.059 0.042 0.000 2.504 289 L HN 0.393 nan 8.230 nan 0.000 0.485 290 Q N 1.817 121.634 119.800 0.029 0.000 2.062 290 Q HA -0.264 4.076 4.340 0.000 0.000 0.209 290 Q C 1.343 177.357 176.000 0.024 0.000 0.996 290 Q CA 2.526 58.343 55.803 0.023 0.000 0.859 290 Q CB -0.890 27.859 28.738 0.017 0.000 0.920 290 Q HN 0.728 nan 8.270 nan 0.000 0.415 291 D N 0.856 121.271 120.400 0.026 0.000 2.137 291 D HA -0.232 4.408 4.640 0.000 0.000 0.189 291 D C 1.712 178.026 176.300 0.023 0.000 0.998 291 D CA 1.778 55.792 54.000 0.024 0.000 0.839 291 D CB -0.708 40.109 40.800 0.029 0.000 0.962 291 D HN 0.330 nan 8.370 nan 0.000 0.446 292 I N 1.016 121.605 120.570 0.031 0.000 2.091 292 I HA -0.336 3.834 4.170 0.000 0.000 0.239 292 I C 2.691 178.821 176.117 0.021 0.000 1.061 292 I CA 1.503 62.818 61.300 0.025 0.000 1.317 292 I CB -0.701 37.326 38.000 0.045 0.000 1.031 292 I HN 0.179 nan 8.210 nan 0.000 0.401 293 A N 1.376 124.213 122.820 0.029 0.000 1.836 293 A HA -0.321 3.999 4.320 0.000 0.000 0.215 293 A C 2.470 180.068 177.584 0.022 0.000 1.214 293 A CA 3.576 55.630 52.037 0.028 0.000 0.636 293 A CB -1.639 17.378 19.000 0.028 0.000 0.847 293 A HN 0.559 nan 8.150 nan 0.000 0.451 294 T N -1.048 113.518 114.554 0.020 0.000 2.736 294 T HA -0.314 4.036 4.350 0.000 0.000 0.265 294 T C 1.784 176.492 174.700 0.013 0.000 1.031 294 T CA 1.961 64.071 62.100 0.016 0.000 1.155 294 T CB -0.913 67.963 68.868 0.014 0.000 0.849 294 T HN 0.414 nan 8.240 nan 0.000 0.471 295 L N 1.584 122.814 121.223 0.011 0.000 1.994 295 L HA -0.101 4.239 4.340 0.000 0.000 0.208 295 L C 2.850 179.722 176.870 0.003 0.000 1.071 295 L CA 2.284 57.126 54.840 0.004 0.000 0.745 295 L CB -0.796 41.262 42.059 -0.001 0.000 0.892 295 L HN 0.617 nan 8.230 nan 0.000 0.431 296 T N -2.994 111.564 114.554 0.007 0.000 3.148 296 T HA 0.201 4.551 4.350 0.000 0.000 0.253 296 T C 1.110 175.824 174.700 0.023 0.000 1.134 296 T CA 0.318 62.424 62.100 0.009 0.000 1.051 296 T CB -0.182 68.693 68.868 0.013 0.000 0.959 296 T HN 0.666 nan 8.240 nan 0.000 0.525 297 G N 0.320 109.134 108.800 0.023 0.000 2.401 297 G HA2 0.175 4.135 3.960 0.000 0.000 0.283 297 G HA3 0.175 4.135 3.960 0.000 0.000 0.283 297 G C 0.117 175.040 174.900 0.040 0.000 1.117 297 G CA -0.406 44.711 45.100 0.029 0.000 1.051 297 G HN 0.999 nan 8.290 nan 0.000 0.510 298 G N -1.170 107.651 108.800 0.035 0.000 2.600 298 G HA2 0.784 4.744 3.960 0.000 0.000 0.303 298 G HA3 0.784 4.744 3.960 0.000 0.000 0.303 298 G C -0.322 174.594 174.900 0.027 0.000 1.253 298 G CA -0.025 45.098 45.100 0.039 0.000 0.974 298 G HN 0.691 nan 8.290 nan 0.000 0.483 299 T N 1.339 115.906 114.554 0.023 0.000 3.053 299 T HA 0.343 4.693 4.350 0.000 0.000 0.363 299 T C 0.404 175.112 174.700 0.013 0.000 1.239 299 T CA -0.231 61.877 62.100 0.014 0.000 1.071 299 T CB 0.764 69.636 68.868 0.007 0.000 1.089 299 T HN 0.381 nan 8.240 nan 0.000 0.527 300 V N 4.199 124.123 119.914 0.016 0.000 2.752 300 V HA 0.001 4.121 4.120 0.000 0.000 0.306 300 V C 0.872 176.971 176.094 0.008 0.000 1.099 300 V CA 0.219 62.527 62.300 0.015 0.000 1.240 300 V CB 0.049 31.880 31.823 0.015 0.000 0.887 300 V HN 0.750 nan 8.190 nan 0.000 0.499 301 I N 4.877 125.451 120.570 0.006 0.000 2.278 301 I HA 0.085 4.255 4.170 0.000 0.000 0.296 301 I C 0.981 177.096 176.117 -0.003 0.000 1.121 301 I CA 0.042 61.342 61.300 0.000 0.000 1.267 301 I CB 0.885 38.884 38.000 -0.001 0.000 1.447 301 I HN 0.797 nan 8.210 nan 0.000 0.509 302 S N 4.646 120.344 115.700 -0.004 0.000 3.988 302 S HA -0.047 4.423 4.470 0.000 0.000 0.180 302 S C 1.389 175.983 174.600 -0.010 0.000 1.242 302 S CA -0.393 57.802 58.200 -0.007 0.000 0.947 302 S CB -0.184 63.012 63.200 -0.006 0.000 1.519 302 S HN 0.696 nan 8.310 nan 0.000 0.439 303 E N 2.073 122.266 120.200 -0.012 0.000 2.284 303 E HA -0.265 4.085 4.350 0.000 0.000 0.200 303 E C 0.959 177.550 176.600 -0.015 0.000 1.008 303 E CA 1.577 57.969 56.400 -0.014 0.000 0.829 303 E CB -0.034 29.657 29.700 -0.016 0.000 0.744 303 E HN 0.919 nan 8.360 nan 0.000 0.491 304 E N -0.772 119.418 120.200 -0.016 0.000 2.340 304 E HA 0.046 4.396 4.350 0.000 0.000 0.194 304 E C 0.780 177.372 176.600 -0.013 0.000 0.996 304 E CA 0.052 56.442 56.400 -0.017 0.000 0.869 304 E CB 0.339 30.026 29.700 -0.021 0.000 0.835 304 E HN 0.166 nan 8.360 nan 0.000 0.493 305 I N -0.594 119.969 120.570 -0.011 0.000 4.883 305 I HA 0.171 4.341 4.170 0.000 0.000 0.180 305 I C 1.568 177.681 176.117 -0.008 0.000 1.223 305 I CA -0.417 60.878 61.300 -0.009 0.000 1.616 305 I CB -0.577 37.419 38.000 -0.007 0.000 1.401 305 I HN -0.150 nan 8.210 nan 0.000 0.487 306 G N 1.168 109.964 108.800 -0.007 0.000 3.356 306 G HA2 0.361 4.321 3.960 0.000 0.000 0.239 306 G HA3 0.361 4.321 3.960 0.000 0.000 0.239 306 G C -0.078 174.818 174.900 -0.007 0.000 1.252 306 G CA 0.286 45.382 45.100 -0.006 0.000 1.611 306 G HN 0.237 nan 8.290 nan 0.000 0.580 307 M N -1.046 118.549 119.600 -0.008 0.000 2.644 307 M HA 0.470 4.950 4.480 0.000 0.000 0.273 307 M C -0.993 175.301 176.300 -0.010 0.000 1.253 307 M CA -0.664 54.631 55.300 -0.009 0.000 0.852 307 M CB 2.519 35.114 32.600 -0.008 0.000 1.708 307 M HN 0.148 nan 8.290 nan 0.000 0.471 308 E N -0.187 120.006 120.200 -0.010 0.000 2.421 308 E HA 0.480 4.830 4.350 0.000 0.000 0.265 308 E C -0.637 175.956 176.600 -0.011 0.000 0.990 308 E CA -0.935 55.459 56.400 -0.011 0.000 0.874 308 E CB 1.297 30.991 29.700 -0.011 0.000 1.646 308 E HN 0.310 nan 8.360 nan 0.000 0.451 309 L N 0.949 122.165 121.223 -0.012 0.000 1.877 309 L HA -0.200 4.140 4.340 0.000 0.000 0.239 309 L C 1.866 178.727 176.870 -0.014 0.000 1.081 309 L CA 1.638 56.471 54.840 -0.012 0.000 0.878 309 L CB -0.867 41.185 42.059 -0.012 0.000 0.909 309 L HN 0.566 nan 8.230 nan 0.000 0.434 310 E N -0.125 120.066 120.200 -0.015 0.000 2.253 310 E HA -0.218 4.132 4.350 0.000 0.000 0.202 310 E C 0.914 177.502 176.600 -0.020 0.000 1.014 310 E CA 0.816 57.205 56.400 -0.019 0.000 0.823 310 E CB -0.531 29.158 29.700 -0.018 0.000 0.736 310 E HN 0.107 nan 8.360 nan 0.000 0.478 311 K N 1.220 121.610 120.400 -0.017 0.000 1.964 311 K HA 0.127 4.447 4.320 0.000 0.000 0.206 311 K C -1.040 175.550 176.600 -0.018 0.000 1.151 311 K CA 0.630 56.907 56.287 -0.016 0.000 1.269 311 K CB -1.234 31.258 32.500 -0.013 0.000 1.112 311 K HN 0.149 nan 8.250 nan 0.000 0.231 312 A N 1.879 124.685 122.820 -0.023 0.000 2.449 312 A HA 0.222 4.542 4.320 0.000 0.000 0.304 312 A C -0.511 177.049 177.584 -0.040 0.000 1.004 312 A CA -0.804 51.217 52.037 -0.027 0.000 0.871 312 A CB 0.254 19.240 19.000 -0.023 0.000 1.092 312 A HN 0.317 nan 8.150 nan 0.000 0.364 313 T N 2.916 117.443 114.554 -0.045 0.000 2.874 313 T HA 0.444 4.794 4.350 0.000 0.000 0.281 313 T C 1.943 176.585 174.700 -0.097 0.000 0.994 313 T CA 0.166 62.227 62.100 -0.064 0.000 1.015 313 T CB 0.548 69.383 68.868 -0.054 0.000 1.028 313 T HN 1.472 nan 8.240 nan 0.000 0.523 314 L N 0.969 122.104 121.223 -0.146 0.000 2.187 314 L HA -0.087 4.253 4.340 0.000 0.000 0.213 314 L C 1.988 178.704 176.870 -0.257 0.000 1.100 314 L CA 1.494 56.175 54.840 -0.265 0.000 0.765 314 L CB -1.619 40.229 42.059 -0.352 0.000 0.904 314 L HN 0.662 nan 8.230 nan 0.000 0.437 315 E N -0.444 119.673 120.200 -0.139 0.000 2.208 315 E HA -0.163 4.187 4.350 0.000 0.000 0.193 315 E C 1.603 178.188 176.600 -0.026 0.000 0.988 315 E CA 1.115 57.476 56.400 -0.065 0.000 0.828 315 E CB -0.961 28.721 29.700 -0.031 0.000 0.763 315 E HN 0.513 nan 8.360 nan 0.000 0.478 316 D N 1.156 121.535 120.400 -0.036 0.000 2.133 316 D HA -0.111 4.529 4.640 0.000 0.000 0.195 316 D C 0.757 177.064 176.300 0.011 0.000 0.997 316 D CA 0.676 54.670 54.000 -0.011 0.000 0.840 316 D CB -0.206 40.584 40.800 -0.017 0.000 0.947 316 D HN 0.243 nan 8.370 nan 0.000 0.452 317 L N 0.599 121.822 121.223 0.001 0.000 2.536 317 L HA 0.027 4.367 4.340 0.000 0.000 0.294 317 L C 1.376 178.320 176.870 0.123 0.000 1.257 317 L CA 0.123 55.000 54.840 0.061 0.000 0.850 317 L CB 0.095 42.187 42.059 0.056 0.000 1.105 317 L HN -0.040 nan 8.230 nan 0.000 0.517 318 G N 0.922 109.801 108.800 0.131 0.000 2.491 318 G HA2 0.604 4.564 3.960 0.000 0.000 0.327 318 G HA3 0.604 4.564 3.960 0.000 0.000 0.327 318 G C -1.106 173.875 174.900 0.134 0.000 1.189 318 G CA -0.393 44.772 45.100 0.109 0.000 0.956 318 G HN 0.519 nan 8.290 nan 0.000 0.491 319 Q N -1.347 118.491 119.800 0.063 0.000 2.423 319 Q HA 0.775 5.115 4.340 0.000 0.000 0.278 319 Q C -0.455 175.518 176.000 -0.045 0.000 1.097 319 Q CA -0.429 55.362 55.803 -0.019 0.000 0.809 319 Q CB 2.476 31.176 28.738 -0.062 0.000 1.391 319 Q HN 0.955 nan 8.270 nan 0.000 0.428 320 A N 0.631 123.400 122.820 -0.084 0.000 2.594 320 A HA 0.469 4.789 4.320 0.000 0.000 0.295 320 A C -0.178 177.353 177.584 -0.087 0.000 1.071 320 A CA -0.716 51.279 52.037 -0.071 0.000 0.685 320 A CB 1.146 20.110 19.000 -0.059 0.000 1.285 320 A HN 0.641 nan 8.150 nan 0.000 0.405 321 K N -0.072 120.286 120.400 -0.070 0.000 2.032 321 K HA -0.160 4.160 4.320 0.000 0.000 0.218 321 K C 1.131 177.688 176.600 -0.072 0.000 1.054 321 K CA 2.206 58.453 56.287 -0.067 0.000 0.941 321 K CB 0.035 32.504 32.500 -0.051 0.000 0.720 321 K HN 0.644 nan 8.250 nan 0.000 0.449 322 R N -1.303 119.158 120.500 -0.064 0.000 2.921 322 R HA 0.256 4.596 4.340 0.000 0.000 0.268 322 R C -1.873 174.393 176.300 -0.057 0.000 1.008 322 R CA -0.446 55.619 56.100 -0.059 0.000 0.876 322 R CB 1.198 31.469 30.300 -0.048 0.000 1.395 322 R HN 0.010 nan 8.270 nan 0.000 0.443 323 V N -1.708 118.177 119.914 -0.049 0.000 3.202 323 V HA 0.853 4.973 4.120 0.000 0.000 0.306 323 V C -1.503 174.561 176.094 -0.050 0.000 1.283 323 V CA -0.704 61.563 62.300 -0.056 0.000 1.065 323 V CB 2.166 33.959 31.823 -0.049 0.000 1.079 323 V HN 0.417 nan 8.190 nan 0.000 0.448 324 V N 2.194 122.070 119.914 -0.063 0.000 2.655 324 V HA 0.678 4.798 4.120 0.000 0.000 0.301 324 V C -1.187 174.859 176.094 -0.080 0.000 1.082 324 V CA -0.045 62.217 62.300 -0.063 0.000 0.899 324 V CB 1.381 33.167 31.823 -0.062 0.000 1.014 324 V HN 0.826 nan 8.190 nan 0.000 0.429 325 I N 5.327 125.837 120.570 -0.100 0.000 2.730 325 I HA 0.638 4.808 4.170 0.000 0.000 0.298 325 I C -0.010 175.914 176.117 -0.322 0.000 1.089 325 I CA -0.306 60.899 61.300 -0.157 0.000 1.041 325 I CB 2.285 40.218 38.000 -0.111 0.000 1.235 325 I HN 0.757 nan 8.210 nan 0.000 0.423 326 N N 2.986 121.469 118.700 -0.361 0.000 3.369 326 N HA 0.366 5.106 4.740 0.000 0.000 0.362 326 N C -0.123 175.062 175.510 -0.541 0.000 1.523 326 N CA -0.661 52.118 53.050 -0.451 0.000 0.684 326 N CB 0.601 38.970 38.487 -0.197 0.000 1.796 326 N HN 0.241 nan 8.380 nan 0.000 0.641 327 K N -0.341 119.912 120.400 -0.244 0.000 2.476 327 K HA 0.261 4.581 4.320 0.000 0.000 0.196 327 K C -0.536 176.084 176.600 0.034 0.000 1.025 327 K CA 0.419 56.707 56.287 0.002 0.000 1.138 327 K CB 0.099 32.663 32.500 0.105 0.000 0.860 327 K HN 0.409 nan 8.250 nan 0.000 0.515 328 D N -1.501 118.895 120.400 -0.006 0.000 2.337 328 D HA 0.045 4.685 4.640 0.000 0.000 0.349 328 D C -0.303 176.032 176.300 0.058 0.000 1.123 328 D CA 0.246 54.265 54.000 0.032 0.000 0.887 328 D CB 1.155 41.969 40.800 0.024 0.000 1.396 328 D HN -0.059 nan 8.370 nan 0.000 0.510 329 T N 0.061 114.642 114.554 0.045 0.000 2.868 329 T HA 0.560 4.910 4.350 0.000 0.000 0.306 329 T C -0.844 173.901 174.700 0.074 0.000 1.224 329 T CA -0.291 61.874 62.100 0.108 0.000 1.012 329 T CB 2.809 71.716 68.868 0.065 0.000 1.221 329 T HN -0.286 nan 8.240 nan 0.000 0.499 330 T N 1.788 116.399 114.554 0.096 0.000 2.909 330 T HA 0.775 5.125 4.350 0.000 0.000 0.299 330 T C -0.984 173.564 174.700 -0.254 0.000 1.073 330 T CA -0.637 61.419 62.100 -0.074 0.000 0.999 330 T CB 1.959 70.808 68.868 -0.031 0.000 1.098 330 T HN 0.622 nan 8.240 nan 0.000 0.477 331 T N 1.955 116.385 114.554 -0.206 0.000 2.916 331 T HA 0.565 4.915 4.350 0.000 0.000 0.305 331 T C -0.800 173.801 174.700 -0.164 0.000 1.119 331 T CA -0.590 61.390 62.100 -0.201 0.000 1.008 331 T CB 1.161 69.956 68.868 -0.121 0.000 1.129 331 T HN 0.466 nan 8.240 nan 0.000 0.480 332 I N 3.121 123.596 120.570 -0.159 0.000 2.328 332 I HA 0.322 4.492 4.170 0.000 0.000 0.287 332 I C 1.367 177.434 176.117 -0.083 0.000 1.012 332 I CA -0.630 60.602 61.300 -0.115 0.000 1.195 332 I CB 1.240 39.172 38.000 -0.114 0.000 1.350 332 I HN 0.702 nan 8.210 nan 0.000 0.464 333 I N 3.691 124.220 120.570 -0.069 0.000 2.118 333 I HA -0.205 3.965 4.170 0.000 0.000 0.241 333 I C 0.399 176.486 176.117 -0.050 0.000 1.070 333 I CA 1.703 62.970 61.300 -0.055 0.000 1.327 333 I CB -0.013 37.957 38.000 -0.050 0.000 1.034 333 I HN 0.654 nan 8.210 nan 0.000 0.405 334 D N -0.297 120.072 120.400 -0.051 0.000 2.301 334 D HA 0.167 4.807 4.640 0.000 0.000 0.187 334 D C -0.528 175.747 176.300 -0.041 0.000 1.264 334 D CA -0.087 53.888 54.000 -0.042 0.000 0.849 334 D CB 0.746 41.525 40.800 -0.036 0.000 1.828 334 D HN 0.117 nan 8.370 nan 0.000 0.526 335 G N 2.098 110.877 108.800 -0.036 0.000 2.391 335 G HA2 0.398 4.358 3.960 0.000 0.000 0.305 335 G HA3 0.398 4.358 3.960 0.000 0.000 0.305 335 G C 0.530 175.419 174.900 -0.019 0.000 1.072 335 G CA -0.379 44.705 45.100 -0.027 0.000 1.016 335 G HN 0.372 nan 8.290 nan 0.000 0.418 336 V N 2.765 122.668 119.914 -0.020 0.000 2.450 336 V HA 0.322 4.442 4.120 0.000 0.000 0.264 336 V C 1.142 177.235 176.094 -0.002 0.000 0.996 336 V CA 0.830 63.123 62.300 -0.012 0.000 1.138 336 V CB -0.333 31.481 31.823 -0.014 0.000 1.051 336 V HN 0.807 nan 8.190 nan 0.000 0.470 337 G N 3.693 112.492 108.800 -0.002 0.000 2.704 337 G HA2 0.490 4.450 3.960 0.000 0.000 0.280 337 G HA3 0.490 4.450 3.960 0.000 0.000 0.280 337 G C -0.565 174.336 174.900 0.001 0.000 1.499 337 G CA -0.659 44.443 45.100 0.003 0.000 1.146 337 G HN 0.625 nan 8.290 nan 0.000 0.558 338 E N 1.235 121.437 120.200 0.003 0.000 2.641 338 E HA -0.103 4.247 4.350 0.000 0.000 0.272 338 E C 0.527 177.128 176.600 0.002 0.000 0.990 338 E CA 0.430 56.831 56.400 0.002 0.000 0.971 338 E CB 1.089 30.791 29.700 0.004 0.000 0.967 338 E HN 0.513 nan 8.360 nan 0.000 0.464 339 E N 1.463 121.663 120.200 0.001 0.000 2.152 339 E HA -0.131 4.219 4.350 0.000 0.000 0.192 339 E C 1.826 178.427 176.600 0.002 0.000 0.983 339 E CA 1.125 57.525 56.400 0.001 0.000 0.818 339 E CB -0.232 29.468 29.700 0.000 0.000 0.758 339 E HN 0.593 nan 8.360 nan 0.000 0.467 340 A N 1.039 123.860 122.820 0.003 0.000 1.948 340 A HA -0.193 4.127 4.320 0.000 0.000 0.220 340 A C 2.310 179.896 177.584 0.004 0.000 1.177 340 A CA 2.131 54.170 52.037 0.003 0.000 0.636 340 A CB -0.725 18.277 19.000 0.004 0.000 0.815 340 A HN 0.299 nan 8.150 nan 0.000 0.449 341 A N -0.196 122.627 122.820 0.005 0.000 1.855 341 A HA 0.097 4.417 4.320 0.000 0.000 0.213 341 A C 2.086 179.673 177.584 0.005 0.000 1.195 341 A CA 1.115 53.156 52.037 0.006 0.000 0.610 341 A CB -0.557 18.447 19.000 0.007 0.000 0.837 341 A HN 0.455 nan 8.150 nan 0.000 0.444 342 I N -0.474 120.098 120.570 0.004 0.000 2.032 342 I HA -0.349 3.821 4.170 0.000 0.000 0.231 342 I C 2.689 178.808 176.117 0.004 0.000 1.035 342 I CA 1.881 63.183 61.300 0.003 0.000 1.312 342 I CB -0.742 37.259 38.000 0.001 0.000 1.041 342 I HN 0.265 nan 8.210 nan 0.000 0.390 343 Q N 1.049 120.850 119.800 0.003 0.000 2.268 343 Q HA -0.157 4.183 4.340 0.000 0.000 0.210 343 Q C 2.082 178.085 176.000 0.005 0.000 0.988 343 Q CA 1.735 57.540 55.803 0.004 0.000 0.883 343 Q CB -0.983 27.757 28.738 0.003 0.000 0.911 343 Q HN 0.684 nan 8.270 nan 0.000 0.430 344 G N 0.266 109.069 108.800 0.005 0.000 2.484 344 G HA2 -0.273 3.687 3.960 0.000 0.000 0.215 344 G HA3 -0.273 3.687 3.960 0.000 0.000 0.215 344 G C 1.365 176.269 174.900 0.006 0.000 1.219 344 G CA 0.363 45.467 45.100 0.005 0.000 0.791 344 G HN 0.155 nan 8.290 nan 0.000 0.550 345 R N 0.135 120.639 120.500 0.007 0.000 2.249 345 R HA -0.039 4.301 4.340 0.000 0.000 0.230 345 R C 2.501 178.806 176.300 0.009 0.000 1.121 345 R CA 0.724 56.830 56.100 0.009 0.000 0.997 345 R CB -0.577 29.729 30.300 0.010 0.000 0.867 345 R HN 0.407 nan 8.270 nan 0.000 0.465 346 V N -0.051 119.867 119.914 0.007 0.000 2.374 346 V HA -0.057 4.063 4.120 0.000 0.000 0.241 346 V C 2.486 178.584 176.094 0.007 0.000 1.034 346 V CA 1.404 63.708 62.300 0.007 0.000 1.037 346 V CB -0.845 30.982 31.823 0.006 0.000 0.682 346 V HN 0.240 nan 8.190 nan 0.000 0.463 347 A N 1.412 124.236 122.820 0.006 0.000 1.927 347 A HA -0.328 3.992 4.320 0.000 0.000 0.220 347 A C 2.094 179.682 177.584 0.007 0.000 1.185 347 A CA 2.449 54.490 52.037 0.006 0.000 0.639 347 A CB -0.676 18.327 19.000 0.005 0.000 0.820 347 A HN 0.758 nan 8.150 nan 0.000 0.451 348 Q N -0.034 119.770 119.800 0.007 0.000 2.541 348 Q HA 0.136 4.476 4.340 0.000 0.000 0.215 348 Q C 1.164 177.169 176.000 0.008 0.000 0.977 348 Q CA 1.370 57.177 55.803 0.007 0.000 0.934 348 Q CB -0.735 28.007 28.738 0.007 0.000 0.988 348 Q HN 0.699 nan 8.270 nan 0.000 0.521 349 I N -0.440 120.135 120.570 0.009 0.000 3.603 349 I HA 0.030 4.200 4.170 0.000 0.000 0.297 349 I C 1.582 177.705 176.117 0.009 0.000 1.269 349 I CA -0.221 61.085 61.300 0.009 0.000 1.361 349 I CB -0.010 37.996 38.000 0.010 0.000 1.063 349 I HN 0.121 nan 8.210 nan 0.000 0.448 350 R N 0.852 121.357 120.500 0.008 0.000 2.127 350 R HA -0.204 4.136 4.340 0.000 0.000 0.238 350 R C 2.098 178.403 176.300 0.009 0.000 1.134 350 R CA 1.226 57.331 56.100 0.008 0.000 0.975 350 R CB -0.566 29.739 30.300 0.008 0.000 0.865 350 R HN 0.350 nan 8.270 nan 0.000 0.447 351 Q N 1.159 120.964 119.800 0.009 0.000 2.137 351 Q HA -0.063 4.277 4.340 0.000 0.000 0.198 351 Q C 1.843 177.849 176.000 0.009 0.000 0.960 351 Q CA 1.433 57.242 55.803 0.009 0.000 0.847 351 Q CB 0.028 28.770 28.738 0.008 0.000 0.915 351 Q HN 0.395 nan 8.270 nan 0.000 0.448 352 Q N -0.003 119.802 119.800 0.009 0.000 2.020 352 Q HA -0.135 4.205 4.340 0.000 0.000 0.202 352 Q C 2.067 178.074 176.000 0.011 0.000 0.982 352 Q CA 1.734 57.542 55.803 0.009 0.000 0.838 352 Q CB -0.253 28.491 28.738 0.009 0.000 0.899 352 Q HN 0.414 nan 8.270 nan 0.000 0.423 353 I N 1.532 122.109 120.570 0.012 0.000 2.053 353 I HA -0.286 3.884 4.170 0.000 0.000 0.227 353 I C 1.060 177.186 176.117 0.015 0.000 1.017 353 I CA 1.158 62.466 61.300 0.013 0.000 1.315 353 I CB -0.750 37.257 38.000 0.012 0.000 1.036 353 I HN 0.347 nan 8.210 nan 0.000 0.386 354 E N 2.725 122.933 120.200 0.013 0.000 2.026 354 E HA -0.004 4.346 4.350 0.000 0.000 0.249 354 E C -0.318 176.291 176.600 0.015 0.000 1.273 354 E CA 0.158 56.567 56.400 0.014 0.000 0.991 354 E CB -0.140 29.567 29.700 0.013 0.000 1.076 354 E HN 0.259 nan 8.360 nan 0.000 0.438 355 E N 2.189 122.399 120.200 0.017 0.000 2.248 355 E HA 0.404 4.754 4.350 0.000 0.000 0.267 355 E C -0.465 176.147 176.600 0.020 0.000 0.877 355 E CA -0.715 55.695 56.400 0.017 0.000 0.759 355 E CB 1.597 31.308 29.700 0.017 0.000 1.182 355 E HN 0.402 nan 8.360 nan 0.000 0.418 356 A N 3.221 126.052 122.820 0.018 0.000 2.223 356 A HA 0.091 4.411 4.320 0.000 0.000 0.222 356 A C 0.747 178.344 177.584 0.022 0.000 1.317 356 A CA 0.895 52.944 52.037 0.019 0.000 0.985 356 A CB -0.484 18.526 19.000 0.016 0.000 0.858 356 A HN 0.600 nan 8.150 nan 0.000 0.496 357 T N -2.363 112.206 114.554 0.026 0.000 3.019 357 T HA 0.091 4.441 4.350 0.000 0.000 0.247 357 T C 1.530 176.257 174.700 0.044 0.000 0.992 357 T CA 0.791 62.910 62.100 0.033 0.000 1.036 357 T CB 0.153 69.039 68.868 0.029 0.000 1.063 357 T HN 0.660 nan 8.240 nan 0.000 0.476 358 S N 1.186 116.910 115.700 0.040 0.000 4.077 358 S HA -0.301 4.169 4.470 0.000 0.000 0.529 358 S C 0.242 174.879 174.600 0.062 0.000 1.462 358 S CA 2.101 60.327 58.200 0.045 0.000 3.796 358 S CB -1.724 61.500 63.200 0.040 0.000 1.681 358 S HN 0.671 nan 8.310 nan 0.000 0.458 359 D N 0.131 120.571 120.400 0.067 0.000 2.383 359 D HA 0.241 4.881 4.640 0.000 0.000 0.252 359 D C 0.867 177.274 176.300 0.177 0.000 1.166 359 D CA 0.638 54.688 54.000 0.083 0.000 0.879 359 D CB 0.450 41.278 40.800 0.046 0.000 1.164 359 D HN 0.574 nan 8.370 nan 0.000 0.462 360 Y N 2.440 122.741 120.300 0.002 0.000 3.297 360 Y HA -0.385 4.165 4.550 0.000 0.000 0.442 360 Y C 1.094 176.993 175.900 -0.001 0.000 1.265 360 Y CA 1.819 59.918 58.100 -0.003 0.000 2.337 360 Y CB -1.662 36.792 38.460 -0.009 0.000 0.876 360 Y HN 0.632 nan 8.280 nan 0.000 0.487 361 D N -0.266 120.219 120.400 0.140 0.000 2.096 361 D HA -0.036 4.604 4.640 0.000 0.000 0.214 361 D C 1.894 178.220 176.300 0.044 0.000 0.974 361 D CA 1.891 55.917 54.000 0.044 0.000 0.890 361 D CB -0.231 40.593 40.800 0.039 0.000 1.016 361 D HN 0.417 nan 8.370 nan 0.000 0.447 362 R N 0.350 120.879 120.500 0.048 0.000 2.397 362 R HA -0.078 4.262 4.340 0.000 0.000 0.213 362 R C 1.768 178.095 176.300 0.044 0.000 1.102 362 R CA 0.688 56.811 56.100 0.038 0.000 1.040 362 R CB -0.188 30.132 30.300 0.034 0.000 0.844 362 R HN 0.498 nan 8.270 nan 0.000 0.478 363 E N 1.115 121.356 120.200 0.069 0.000 2.022 363 E HA -0.086 4.264 4.350 0.000 0.000 0.193 363 E C 1.492 178.130 176.600 0.063 0.000 0.969 363 E CA 0.656 57.102 56.400 0.077 0.000 0.834 363 E CB -0.015 29.767 29.700 0.136 0.000 0.798 363 E HN 0.172 nan 8.360 nan 0.000 0.467 364 K N 1.068 121.511 120.400 0.072 0.000 2.360 364 K HA -0.096 4.224 4.320 0.000 0.000 0.201 364 K C 2.090 178.706 176.600 0.025 0.000 1.046 364 K CA 0.444 56.756 56.287 0.043 0.000 0.940 364 K CB -0.051 32.455 32.500 0.010 0.000 0.748 364 K HN 0.139 nan 8.250 nan 0.000 0.465 365 L N 0.619 121.855 121.223 0.022 0.000 1.971 365 L HA -0.214 4.126 4.340 0.000 0.000 0.208 365 L C 1.940 178.822 176.870 0.020 0.000 1.083 365 L CA 1.335 56.186 54.840 0.017 0.000 0.753 365 L CB -0.157 41.911 42.059 0.015 0.000 0.893 365 L HN 0.048 nan 8.230 nan 0.000 0.436 366 Q N 0.284 120.096 119.800 0.020 0.000 2.325 366 Q HA -0.294 4.046 4.340 0.000 0.000 0.211 366 Q C 1.732 177.743 176.000 0.018 0.000 0.988 366 Q CA 1.789 57.602 55.803 0.016 0.000 0.887 366 Q CB -0.373 28.373 28.738 0.013 0.000 0.915 366 Q HN 0.565 nan 8.270 nan 0.000 0.440 367 E N 0.196 120.410 120.200 0.024 0.000 2.005 367 E HA -0.263 4.087 4.350 0.000 0.000 0.198 367 E C 2.028 178.645 176.600 0.028 0.000 1.010 367 E CA 1.189 57.606 56.400 0.028 0.000 0.825 367 E CB -0.097 29.625 29.700 0.037 0.000 0.769 367 E HN 0.265 nan 8.360 nan 0.000 0.456 368 R N 0.229 120.748 120.500 0.032 0.000 2.096 368 R HA -0.180 4.160 4.340 0.000 0.000 0.240 368 R C 2.356 178.669 176.300 0.023 0.000 1.139 368 R CA 1.778 57.898 56.100 0.033 0.000 0.952 368 R CB -0.450 29.870 30.300 0.034 0.000 0.854 368 R HN 0.181 nan 8.270 nan 0.000 0.436 369 V N 1.173 121.098 119.914 0.019 0.000 2.277 369 V HA -0.341 3.779 4.120 0.000 0.000 0.253 369 V C 2.564 178.664 176.094 0.011 0.000 1.067 369 V CA 2.216 64.525 62.300 0.013 0.000 1.047 369 V CB -1.007 30.823 31.823 0.012 0.000 0.649 369 V HN 0.587 nan 8.190 nan 0.000 0.447 370 A N -0.642 122.185 122.820 0.011 0.000 1.930 370 A HA -0.191 4.129 4.320 0.000 0.000 0.217 370 A C 2.246 179.833 177.584 0.006 0.000 1.175 370 A CA 1.767 53.808 52.037 0.008 0.000 0.627 370 A CB -0.394 18.611 19.000 0.008 0.000 0.815 370 A HN 0.571 nan 8.150 nan 0.000 0.443 371 K N -0.472 119.934 120.400 0.011 0.000 2.432 371 K HA 0.197 4.517 4.320 0.000 0.000 0.196 371 K C 0.876 177.477 176.600 0.002 0.000 1.038 371 K CA 0.348 56.639 56.287 0.007 0.000 0.986 371 K CB -0.083 32.427 32.500 0.017 0.000 0.782 371 K HN 0.439 nan 8.250 nan 0.000 0.485 372 L N -0.607 120.620 121.223 0.006 0.000 2.611 372 L HA 0.160 4.500 4.340 0.000 0.000 0.229 372 L C 1.184 178.054 176.870 -0.000 0.000 1.137 372 L CA 0.074 54.916 54.840 0.004 0.000 0.901 372 L CB 0.285 42.349 42.059 0.009 0.000 1.098 372 L HN 0.131 nan 8.230 nan 0.000 0.456 373 A N -1.338 121.481 122.820 -0.002 0.000 1.902 373 A HA 0.245 4.565 4.320 0.000 0.000 0.171 373 A C 1.031 178.612 177.584 -0.004 0.000 2.094 373 A CA 0.337 52.372 52.037 -0.003 0.000 1.626 373 A CB -0.846 18.153 19.000 -0.001 0.000 1.568 373 A HN 0.247 nan 8.150 nan 0.000 0.280 374 G N -0.187 108.611 108.800 -0.002 0.000 2.666 374 G HA2 0.570 4.530 3.960 0.000 0.000 0.207 374 G HA3 0.570 4.530 3.960 0.000 0.000 0.207 374 G C 0.419 175.317 174.900 -0.004 0.000 1.481 374 G CA 0.083 45.181 45.100 -0.003 0.000 1.071 374 G HN 1.423 nan 8.290 nan 0.000 0.572 375 G N -2.436 106.362 108.800 -0.003 0.000 2.642 375 G HA2 0.528 4.488 3.960 0.000 0.000 0.293 375 G HA3 0.528 4.488 3.960 0.000 0.000 0.293 375 G C -1.785 173.114 174.900 -0.001 0.000 1.341 375 G CA -0.345 44.753 45.100 -0.004 0.000 0.916 375 G HN 0.669 nan 8.290 nan 0.000 0.474 376 V N 0.272 120.186 119.914 -0.000 0.000 2.459 376 V HA 0.790 4.910 4.120 0.000 0.000 0.295 376 V C 0.303 176.398 176.094 0.002 0.000 1.029 376 V CA -0.509 61.793 62.300 0.004 0.000 0.874 376 V CB 1.214 33.042 31.823 0.010 0.000 0.985 376 V HN 1.199 nan 8.190 nan 0.000 0.438 377 A N 4.350 127.171 122.820 0.002 0.000 2.401 377 A HA 0.954 5.274 4.320 0.000 0.000 0.310 377 A C -1.168 176.418 177.584 0.003 0.000 1.075 377 A CA -0.592 51.446 52.037 0.001 0.000 0.746 377 A CB 2.008 21.007 19.000 -0.002 0.000 1.277 377 A HN 0.670 nan 8.150 nan 0.000 0.425 378 V N 2.530 122.447 119.914 0.004 0.000 2.841 378 V HA 0.490 4.610 4.120 0.000 0.000 0.310 378 V C -0.628 175.469 176.094 0.006 0.000 1.090 378 V CA -0.275 62.029 62.300 0.007 0.000 0.930 378 V CB 1.870 33.699 31.823 0.009 0.000 1.014 378 V HN 0.811 nan 8.190 nan 0.000 0.425 379 I N 3.280 123.855 120.570 0.008 0.000 2.562 379 I HA 0.534 4.704 4.170 0.000 0.000 0.301 379 I C -0.356 175.767 176.117 0.010 0.000 1.003 379 I CA -0.785 60.520 61.300 0.008 0.000 1.127 379 I CB 2.162 40.167 38.000 0.010 0.000 1.304 379 I HN 0.481 nan 8.210 nan 0.000 0.446 380 K N 4.807 125.212 120.400 0.008 0.000 2.413 380 K HA 0.514 4.834 4.320 0.000 0.000 0.257 380 K C -1.151 175.454 176.600 0.008 0.000 0.946 380 K CA -0.684 55.608 56.287 0.008 0.000 0.823 380 K CB 2.408 34.911 32.500 0.007 0.000 1.109 380 K HN 0.253 nan 8.250 nan 0.000 0.427 381 V N 2.146 122.066 119.914 0.009 0.000 2.583 381 V HA 0.257 4.377 4.120 0.000 0.000 0.287 381 V C 0.829 176.927 176.094 0.007 0.000 1.051 381 V CA -0.567 61.738 62.300 0.009 0.000 1.010 381 V CB 1.273 33.102 31.823 0.010 0.000 0.988 381 V HN 0.907 nan 8.190 nan 0.000 0.478 382 G N 2.790 111.593 108.800 0.005 0.000 2.377 382 G HA2 0.699 4.659 3.960 0.000 0.000 0.299 382 G HA3 0.699 4.659 3.960 0.000 0.000 0.299 382 G C -0.459 174.443 174.900 0.003 0.000 1.150 382 G CA 0.166 45.269 45.100 0.004 0.000 0.847 382 G HN 1.351 nan 8.290 nan 0.000 0.501 383 A N 0.434 123.256 122.820 0.003 0.000 2.583 383 A HA 0.717 5.037 4.320 0.000 0.000 0.298 383 A C 0.514 178.100 177.584 0.002 0.000 1.055 383 A CA 0.339 52.378 52.037 0.002 0.000 0.714 383 A CB 0.626 19.628 19.000 0.003 0.000 1.277 383 A HN 1.768 nan 8.150 nan 0.000 0.406 384 A N 1.020 123.840 122.820 0.001 0.000 1.854 384 A HA 0.360 4.680 4.320 0.000 0.000 0.214 384 A C 1.581 179.165 177.584 0.001 0.000 1.192 384 A CA 2.442 54.479 52.037 0.001 0.000 0.611 384 A CB -0.846 18.154 19.000 0.000 0.000 0.832 384 A HN 1.980 nan 8.150 nan 0.000 0.442 385 T N -3.633 110.921 114.554 0.001 0.000 2.888 385 T HA 0.441 4.791 4.350 0.000 0.000 0.283 385 T C 0.735 175.437 174.700 0.002 0.000 1.013 385 T CA 0.234 62.335 62.100 0.001 0.000 0.938 385 T CB 1.373 70.241 68.868 -0.000 0.000 1.298 385 T HN 0.319 nan 8.240 nan 0.000 0.580 386 E N -0.636 119.565 120.200 0.003 0.000 2.244 386 E HA 0.007 4.357 4.350 0.000 0.000 0.196 386 E C 2.015 178.618 176.600 0.004 0.000 0.939 386 E CA 0.515 56.918 56.400 0.005 0.000 0.884 386 E CB 0.136 29.840 29.700 0.007 0.000 0.850 386 E HN 0.548 nan 8.360 nan 0.000 0.481 387 V N -0.824 119.091 119.914 0.001 0.000 3.305 387 V HA -0.049 4.071 4.120 0.000 0.000 0.269 387 V C 1.766 177.859 176.094 -0.001 0.000 1.157 387 V CA 1.797 64.096 62.300 -0.001 0.000 1.157 387 V CB -0.205 31.615 31.823 -0.005 0.000 0.772 387 V HN 0.231 nan 8.190 nan 0.000 0.498 388 E N 0.012 120.212 120.200 0.000 0.000 2.132 388 E HA -0.075 4.275 4.350 0.000 0.000 0.193 388 E C 2.047 178.648 176.600 0.002 0.000 0.951 388 E CA 0.789 57.189 56.400 -0.000 0.000 0.843 388 E CB -0.078 29.622 29.700 -0.000 0.000 0.807 388 E HN 0.469 nan 8.360 nan 0.000 0.467 389 M N 1.438 121.040 119.600 0.004 0.000 2.260 389 M HA -0.159 4.321 4.480 0.000 0.000 0.261 389 M C 1.517 177.821 176.300 0.007 0.000 1.066 389 M CA 1.489 56.792 55.300 0.006 0.000 1.082 389 M CB 0.040 32.644 32.600 0.007 0.000 1.388 389 M HN -0.058 nan 8.290 nan 0.000 0.419 390 K N -0.314 120.090 120.400 0.006 0.000 1.979 390 K HA -0.175 4.145 4.320 0.000 0.000 0.213 390 K C 1.886 178.488 176.600 0.005 0.000 1.036 390 K CA 1.652 57.943 56.287 0.007 0.000 0.954 390 K CB -0.839 31.665 32.500 0.007 0.000 0.743 390 K HN 0.303 nan 8.250 nan 0.000 0.443 391 E N 1.920 122.121 120.200 0.002 0.000 2.095 391 E HA -0.301 4.049 4.350 0.000 0.000 0.212 391 E C 1.895 178.495 176.600 0.001 0.000 1.044 391 E CA 2.266 58.666 56.400 -0.001 0.000 0.857 391 E CB -0.209 29.489 29.700 -0.003 0.000 0.764 391 E HN 0.146 nan 8.360 nan 0.000 0.462 392 K N 0.754 121.155 120.400 0.002 0.000 1.971 392 K HA -0.200 4.120 4.320 0.000 0.000 0.221 392 K C 2.195 178.800 176.600 0.008 0.000 1.050 392 K CA 2.413 58.703 56.287 0.004 0.000 0.967 392 K CB -0.591 31.912 32.500 0.005 0.000 0.733 392 K HN 0.154 nan 8.250 nan 0.000 0.445 393 K N -0.397 120.010 120.400 0.010 0.000 2.228 393 K HA -0.215 4.105 4.320 0.000 0.000 0.205 393 K C 1.754 178.364 176.600 0.018 0.000 1.045 393 K CA 1.360 57.657 56.287 0.015 0.000 0.931 393 K CB -0.278 32.231 32.500 0.015 0.000 0.727 393 K HN 0.316 nan 8.250 nan 0.000 0.458 394 A N 1.527 124.353 122.820 0.010 0.000 1.828 394 A HA -0.181 4.139 4.320 0.000 0.000 0.215 394 A C 2.027 179.613 177.584 0.003 0.000 1.203 394 A CA 1.653 53.692 52.037 0.003 0.000 0.614 394 A CB -0.636 18.361 19.000 -0.005 0.000 0.844 394 A HN 0.346 nan 8.150 nan 0.000 0.445 395 R N -0.560 119.941 120.500 0.001 0.000 2.113 395 R HA -0.176 4.164 4.340 0.000 0.000 0.244 395 R C 1.988 178.300 176.300 0.019 0.000 1.142 395 R CA 1.725 57.827 56.100 0.002 0.000 0.953 395 R CB -1.093 29.208 30.300 0.002 0.000 0.860 395 R HN 0.400 nan 8.270 nan 0.000 0.438 396 V N 1.533 121.462 119.914 0.024 0.000 2.313 396 V HA -0.320 3.800 4.120 0.000 0.000 0.253 396 V C 2.162 178.295 176.094 0.066 0.000 1.070 396 V CA 2.207 64.529 62.300 0.036 0.000 1.057 396 V CB -0.583 31.259 31.823 0.031 0.000 0.653 396 V HN 0.423 nan 8.190 nan 0.000 0.450 397 E N -0.303 119.946 120.200 0.083 0.000 2.047 397 E HA -0.209 4.141 4.350 0.000 0.000 0.191 397 E C 1.987 178.745 176.600 0.263 0.000 0.987 397 E CA 1.304 57.814 56.400 0.183 0.000 0.799 397 E CB -0.290 29.517 29.700 0.179 0.000 0.752 397 E HN 0.623 nan 8.360 nan 0.000 0.449 398 D N 0.990 121.425 120.400 0.059 0.000 2.177 398 D HA -0.259 4.381 4.640 0.000 0.000 0.189 398 D C 1.906 178.273 176.300 0.111 0.000 1.002 398 D CA 1.912 55.912 54.000 -0.000 0.000 0.845 398 D CB -0.590 40.196 40.800 -0.024 0.000 0.960 398 D HN 0.204 nan 8.370 nan 0.000 0.447 399 A N 1.104 123.972 122.820 0.080 0.000 1.892 399 A HA -0.199 4.121 4.320 0.000 0.000 0.218 399 A C 2.169 179.810 177.584 0.095 0.000 1.188 399 A CA 1.491 53.570 52.037 0.070 0.000 0.631 399 A CB -0.930 18.096 19.000 0.044 0.000 0.822 399 A HN 0.326 nan 8.150 nan 0.000 0.447 400 L N -0.616 120.677 121.223 0.116 0.000 2.051 400 L HA -0.275 4.065 4.340 0.000 0.000 0.214 400 L C 2.303 179.196 176.870 0.040 0.000 1.076 400 L CA 3.003 57.883 54.840 0.068 0.000 0.758 400 L CB -1.405 40.688 42.059 0.057 0.000 0.890 400 L HN 0.603 nan 8.230 nan 0.000 0.433 401 H N -0.304 118.771 119.070 0.009 0.000 2.284 401 H HA 0.027 4.583 4.556 0.000 0.000 0.304 401 H C 2.239 177.574 175.328 0.011 0.000 1.069 401 H CA 1.445 57.500 56.048 0.011 0.000 1.327 401 H CB -0.670 29.099 29.762 0.013 0.000 1.387 401 H HN 0.443 nan 8.280 nan 0.000 0.498 402 A N 0.632 123.548 122.820 0.161 0.000 1.873 402 A HA -0.349 3.971 4.320 0.000 0.000 0.219 402 A C 2.596 180.213 177.584 0.055 0.000 1.269 402 A CA 3.672 55.759 52.037 0.083 0.000 0.671 402 A CB -1.643 17.392 19.000 0.059 0.000 0.842 402 A HN 0.684 nan 8.150 nan 0.000 0.460 403 T N -2.033 112.547 114.554 0.043 0.000 2.592 403 T HA -0.317 4.033 4.350 0.000 0.000 0.267 403 T C 1.914 176.624 174.700 0.017 0.000 1.060 403 T CA 1.696 63.811 62.100 0.024 0.000 1.167 403 T CB -0.604 68.274 68.868 0.016 0.000 0.863 403 T HN 0.473 nan 8.240 nan 0.000 0.431 404 R N 1.924 122.430 120.500 0.010 0.000 2.113 404 R HA -0.068 4.272 4.340 0.000 0.000 0.244 404 R C 2.925 179.233 176.300 0.014 0.000 1.142 404 R CA 1.844 57.944 56.100 -0.001 0.000 0.953 404 R CB -1.435 28.849 30.300 -0.026 0.000 0.860 404 R HN 0.671 nan 8.270 nan 0.000 0.438 405 A N 0.665 123.502 122.820 0.030 0.000 1.968 405 A HA 0.043 4.363 4.320 0.000 0.000 0.217 405 A C 2.368 179.965 177.584 0.022 0.000 1.169 405 A CA 1.479 53.535 52.037 0.032 0.000 0.638 405 A CB -0.378 18.650 19.000 0.047 0.000 0.812 405 A HN 0.369 nan 8.150 nan 0.000 0.446 406 A N -0.400 122.433 122.820 0.021 0.000 1.898 406 A HA 0.046 4.366 4.320 0.000 0.000 0.216 406 A C 2.204 179.795 177.584 0.011 0.000 1.181 406 A CA 1.658 53.704 52.037 0.015 0.000 0.620 406 A CB -0.871 18.138 19.000 0.015 0.000 0.819 406 A HN 0.341 nan 8.150 nan 0.000 0.442 407 V N 1.337 121.257 119.914 0.010 0.000 2.261 407 V HA -0.310 3.810 4.120 0.000 0.000 0.246 407 V C 2.568 178.666 176.094 0.007 0.000 1.047 407 V CA 2.408 64.712 62.300 0.007 0.000 1.015 407 V CB -1.077 30.749 31.823 0.005 0.000 0.642 407 V HN 0.911 nan 8.190 nan 0.000 0.446 408 E N 0.413 120.618 120.200 0.009 0.000 2.274 408 E HA -0.200 4.150 4.350 0.000 0.000 0.194 408 E C 1.765 178.370 176.600 0.008 0.000 0.996 408 E CA 1.457 57.862 56.400 0.009 0.000 0.840 408 E CB -0.046 29.660 29.700 0.011 0.000 0.772 408 E HN 0.718 nan 8.360 nan 0.000 0.491 409 E N 0.282 120.487 120.200 0.009 0.000 2.714 409 E HA 0.211 4.561 4.350 0.000 0.000 0.219 409 E C 0.207 176.809 176.600 0.005 0.000 0.979 409 E CA 0.274 56.677 56.400 0.006 0.000 1.092 409 E CB 0.673 30.376 29.700 0.005 0.000 1.049 409 E HN 0.356 nan 8.360 nan 0.000 0.487 410 G N 0.207 109.011 108.800 0.006 0.000 2.752 410 G HA2 -0.238 3.722 3.960 0.000 0.000 0.234 410 G HA3 -0.238 3.722 3.960 0.000 0.000 0.234 410 G C -0.202 174.702 174.900 0.006 0.000 1.367 410 G CA -0.294 44.809 45.100 0.006 0.000 0.879 410 G HN 0.738 nan 8.290 nan 0.000 0.563 411 V N -3.366 116.552 119.914 0.006 0.000 3.181 411 V HA 0.990 5.110 4.120 0.000 0.000 0.308 411 V C 0.534 176.632 176.094 0.007 0.000 1.214 411 V CA 0.093 62.397 62.300 0.007 0.000 1.053 411 V CB 1.224 33.052 31.823 0.008 0.000 1.069 411 V HN 2.520 nan 8.190 nan 0.000 0.441 412 V N -2.425 117.493 119.914 0.007 0.000 3.181 412 V HA 1.017 5.137 4.120 0.000 0.000 0.308 412 V C 0.309 176.409 176.094 0.010 0.000 1.214 412 V CA -0.716 61.590 62.300 0.009 0.000 1.053 412 V CB 1.286 33.113 31.823 0.007 0.000 1.069 412 V HN 2.195 nan 8.190 nan 0.000 0.441 413 A N 0.923 123.751 122.820 0.014 0.000 2.524 413 A HA 0.662 4.982 4.320 0.000 0.000 0.250 413 A C 0.949 178.540 177.584 0.011 0.000 1.078 413 A CA 0.608 52.654 52.037 0.015 0.000 0.761 413 A CB -0.445 18.570 19.000 0.024 0.000 1.012 413 A HN 1.996 nan 8.150 nan 0.000 0.500 414 G N 1.160 109.964 108.800 0.005 0.000 2.481 414 G HA2 0.464 4.424 3.960 0.000 0.000 0.251 414 G HA3 0.464 4.424 3.960 0.000 0.000 0.251 414 G C 1.278 176.180 174.900 0.003 0.000 1.492 414 G CA 0.056 45.158 45.100 0.003 0.000 1.060 414 G HN 2.244 nan 8.290 nan 0.000 0.553 415 G N -1.994 106.807 108.800 0.001 0.000 2.180 415 G HA2 0.180 4.140 3.960 0.000 0.000 0.263 415 G HA3 0.180 4.140 3.960 0.000 0.000 0.263 415 G C 1.514 176.423 174.900 0.014 0.000 0.989 415 G CA 1.278 46.383 45.100 0.008 0.000 0.692 415 G HN 2.474 nan 8.290 nan 0.000 0.526 416 G N -2.209 106.597 108.800 0.011 0.000 2.249 416 G HA2 -0.063 3.897 3.960 0.000 0.000 0.273 416 G HA3 -0.063 3.897 3.960 0.000 0.000 0.273 416 G C 1.297 176.207 174.900 0.016 0.000 1.036 416 G CA 1.413 46.520 45.100 0.012 0.000 0.824 416 G HN 1.830 nan 8.290 nan 0.000 0.504 417 V N -0.449 119.476 119.914 0.019 0.000 2.446 417 V HA 0.300 4.420 4.120 0.000 0.000 0.244 417 V C 2.900 179.010 176.094 0.027 0.000 1.039 417 V CA 2.243 64.559 62.300 0.027 0.000 1.045 417 V CB -0.338 31.503 31.823 0.029 0.000 0.681 417 V HN 1.190 nan 8.190 nan 0.000 0.459 418 A N 0.272 123.104 122.820 0.021 0.000 1.869 418 A HA -0.246 4.074 4.320 0.000 0.000 0.218 418 A C 2.118 179.711 177.584 0.016 0.000 1.203 418 A CA 2.569 54.617 52.037 0.018 0.000 0.638 418 A CB -0.921 18.086 19.000 0.012 0.000 0.831 418 A HN 0.515 nan 8.150 nan 0.000 0.450 419 L N -0.745 120.485 121.223 0.012 0.000 1.955 419 L HA -0.155 4.185 4.340 0.000 0.000 0.213 419 L C 2.455 179.333 176.870 0.014 0.000 1.072 419 L CA 2.070 56.916 54.840 0.009 0.000 0.755 419 L CB -0.592 41.471 42.059 0.006 0.000 0.888 419 L HN 0.539 nan 8.230 nan 0.000 0.432 420 I N -1.306 119.275 120.570 0.017 0.000 2.300 420 I HA -0.402 3.768 4.170 0.000 0.000 0.252 420 I C 2.674 178.807 176.117 0.026 0.000 1.119 420 I CA 1.162 62.475 61.300 0.021 0.000 1.384 420 I CB -0.042 37.974 38.000 0.026 0.000 1.062 420 I HN 0.248 nan 8.210 nan 0.000 0.426 421 R N 0.480 120.997 120.500 0.029 0.000 2.064 421 R HA -0.135 4.205 4.340 0.000 0.000 0.228 421 R C 2.307 178.621 176.300 0.023 0.000 1.144 421 R CA 2.149 58.268 56.100 0.033 0.000 0.932 421 R CB -1.187 29.135 30.300 0.037 0.000 0.833 421 R HN 0.442 nan 8.270 nan 0.000 0.429 422 V N 0.066 119.990 119.914 0.017 0.000 2.660 422 V HA -0.164 3.956 4.120 0.000 0.000 0.257 422 V C 1.873 177.973 176.094 0.011 0.000 1.088 422 V CA 2.071 64.378 62.300 0.012 0.000 1.106 422 V CB -0.913 30.914 31.823 0.007 0.000 0.686 422 V HN 0.356 nan 8.190 nan 0.000 0.481 423 A N 1.583 124.410 122.820 0.012 0.000 1.858 423 A HA -0.158 4.162 4.320 0.000 0.000 0.216 423 A C 2.659 180.250 177.584 0.011 0.000 1.190 423 A CA 2.663 54.706 52.037 0.011 0.000 0.617 423 A CB -1.260 17.747 19.000 0.011 0.000 0.827 423 A HN 1.082 nan 8.150 nan 0.000 0.443 424 S N 0.207 115.916 115.700 0.015 0.000 2.383 424 S HA -0.225 4.245 4.470 0.000 0.000 0.229 424 S C 1.765 176.372 174.600 0.012 0.000 1.030 424 S CA 1.620 59.829 58.200 0.014 0.000 1.002 424 S CB -0.481 62.731 63.200 0.019 0.000 0.829 424 S HN 0.594 nan 8.310 nan 0.000 0.467 425 K N 0.834 121.241 120.400 0.012 0.000 2.280 425 K HA 0.098 4.418 4.320 0.000 0.000 0.202 425 K C 1.207 177.812 176.600 0.007 0.000 1.047 425 K CA 1.024 57.316 56.287 0.009 0.000 0.942 425 K CB -0.338 32.167 32.500 0.009 0.000 0.739 425 K HN 0.471 nan 8.250 nan 0.000 0.457 426 L N -0.371 120.856 121.223 0.007 0.000 2.818 426 L HA 0.222 4.562 4.340 0.000 0.000 0.243 426 L C 1.728 178.601 176.870 0.005 0.000 1.185 426 L CA -0.326 54.517 54.840 0.005 0.000 0.988 426 L CB 0.202 42.263 42.059 0.004 0.000 1.292 426 L HN 0.004 nan 8.230 nan 0.000 0.519 427 A N 0.065 122.889 122.820 0.006 0.000 2.084 427 A HA -0.200 4.120 4.320 0.000 0.000 0.221 427 A C 1.481 179.067 177.584 0.004 0.000 1.161 427 A CA 1.704 53.744 52.037 0.005 0.000 0.653 427 A CB -0.227 18.776 19.000 0.006 0.000 0.802 427 A HN 0.410 nan 8.150 nan 0.000 0.457 428 D N -1.253 119.150 120.400 0.004 0.000 2.440 428 D HA 0.180 4.820 4.640 0.000 0.000 0.216 428 D C -0.106 176.196 176.300 0.003 0.000 1.150 428 D CA -0.335 53.667 54.000 0.003 0.000 0.832 428 D CB 0.188 40.990 40.800 0.003 0.000 0.992 428 D HN 0.323 nan 8.370 nan 0.000 0.502 429 L N 1.995 123.220 121.223 0.003 0.000 2.410 429 L HA 0.172 4.512 4.340 0.000 0.000 0.273 429 L C 0.099 176.971 176.870 0.003 0.000 1.152 429 L CA 0.438 55.280 54.840 0.003 0.000 0.855 429 L CB 0.154 42.215 42.059 0.003 0.000 1.129 429 L HN -0.201 nan 8.230 nan 0.000 0.463 430 R N 3.033 123.535 120.500 0.003 0.000 2.888 430 R HA 0.799 5.139 4.340 0.000 0.000 0.264 430 R C -0.432 175.870 176.300 0.003 0.000 1.045 430 R CA -0.492 55.610 56.100 0.003 0.000 0.962 430 R CB 1.520 31.822 30.300 0.003 0.000 1.210 430 R HN 0.814 nan 8.270 nan 0.000 0.479 431 G N -0.586 108.216 108.800 0.003 0.000 3.015 431 G HA2 0.259 4.219 3.960 0.000 0.000 0.281 431 G HA3 0.259 4.219 3.960 0.000 0.000 0.281 431 G C 0.062 174.964 174.900 0.004 0.000 1.386 431 G CA -0.432 44.671 45.100 0.004 0.000 0.959 431 G HN 0.409 nan 8.290 nan 0.000 0.522 432 Q N -0.441 119.362 119.800 0.004 0.000 2.248 432 Q HA -0.105 4.235 4.340 0.000 0.000 0.208 432 Q C 0.885 176.887 176.000 0.004 0.000 0.984 432 Q CA 1.648 57.453 55.803 0.004 0.000 0.875 432 Q CB -0.111 28.629 28.738 0.004 0.000 0.910 432 Q HN 0.618 nan 8.270 nan 0.000 0.433 433 N N -1.788 116.915 118.700 0.004 0.000 3.204 433 N HA 0.012 4.752 4.740 0.000 0.000 0.285 433 N C 0.268 175.780 175.510 0.004 0.000 1.536 433 N CA -0.327 52.725 53.050 0.004 0.000 0.832 433 N CB 0.961 39.450 38.487 0.004 0.000 1.645 433 N HN -0.209 nan 8.380 nan 0.000 0.586 434 E N 0.484 120.686 120.200 0.003 0.000 2.015 434 E HA -0.110 4.240 4.350 0.000 0.000 0.191 434 E C 0.581 177.183 176.600 0.004 0.000 0.991 434 E CA 1.849 58.251 56.400 0.003 0.000 0.802 434 E CB -0.651 29.050 29.700 0.003 0.000 0.759 434 E HN 0.587 nan 8.360 nan 0.000 0.447 435 D N 0.398 120.800 120.400 0.004 0.000 2.154 435 D HA -0.238 4.402 4.640 0.000 0.000 0.190 435 D C 2.022 178.325 176.300 0.005 0.000 1.003 435 D CA 1.777 55.780 54.000 0.005 0.000 0.849 435 D CB -0.331 40.472 40.800 0.005 0.000 0.942 435 D HN 0.330 nan 8.370 nan 0.000 0.446 436 Q N -0.327 119.476 119.800 0.005 0.000 2.152 436 Q HA -0.154 4.186 4.340 0.000 0.000 0.206 436 Q C 1.815 177.818 176.000 0.005 0.000 0.985 436 Q CA 1.062 56.868 55.803 0.005 0.000 0.863 436 Q CB -0.039 28.702 28.738 0.005 0.000 0.904 436 Q HN 0.359 nan 8.270 nan 0.000 0.422 437 N N -0.279 118.423 118.700 0.004 0.000 2.166 437 N HA -0.124 4.616 4.740 0.000 0.000 0.186 437 N C 1.870 177.382 175.510 0.004 0.000 1.019 437 N CA 1.103 54.155 53.050 0.004 0.000 0.856 437 N CB -0.279 38.210 38.487 0.003 0.000 0.993 437 N HN 0.075 nan 8.380 nan 0.000 0.426 438 V N 1.252 121.168 119.914 0.004 0.000 2.261 438 V HA -0.156 3.964 4.120 0.000 0.000 0.246 438 V C 2.586 178.683 176.094 0.005 0.000 1.047 438 V CA 2.078 64.380 62.300 0.004 0.000 1.015 438 V CB -1.400 30.426 31.823 0.004 0.000 0.642 438 V HN 0.322 nan 8.190 nan 0.000 0.446 439 G N -0.081 108.722 108.800 0.005 0.000 2.503 439 G HA2 -0.276 3.684 3.960 0.000 0.000 0.221 439 G HA3 -0.276 3.684 3.960 0.000 0.000 0.221 439 G C 1.520 176.424 174.900 0.006 0.000 1.131 439 G CA 1.417 46.520 45.100 0.006 0.000 0.756 439 G HN 0.498 nan 8.290 nan 0.000 0.572 440 I N -0.201 120.372 120.570 0.005 0.000 2.110 440 I HA -0.087 4.083 4.170 0.000 0.000 0.236 440 I C 2.750 178.870 176.117 0.005 0.000 1.068 440 I CA 1.241 62.544 61.300 0.005 0.000 1.333 440 I CB -0.267 37.735 38.000 0.004 0.000 1.054 440 I HN 0.003 nan 8.210 nan 0.000 0.402 441 K N 0.860 121.263 120.400 0.004 0.000 2.089 441 K HA -0.177 4.143 4.320 0.000 0.000 0.210 441 K C 1.870 178.473 176.600 0.005 0.000 1.048 441 K CA 1.258 57.548 56.287 0.004 0.000 0.926 441 K CB -0.809 31.693 32.500 0.004 0.000 0.714 441 K HN 0.145 nan 8.250 nan 0.000 0.448 442 V N 0.482 120.399 119.914 0.005 0.000 2.219 442 V HA -0.346 3.774 4.120 0.000 0.000 0.248 442 V C 2.224 178.322 176.094 0.006 0.000 1.053 442 V CA 2.219 64.522 62.300 0.005 0.000 1.009 442 V CB -1.021 30.806 31.823 0.006 0.000 0.636 442 V HN 0.454 nan 8.190 nan 0.000 0.445 443 A N -0.061 122.762 122.820 0.006 0.000 1.869 443 A HA -0.250 4.070 4.320 0.000 0.000 0.218 443 A C 2.205 179.792 177.584 0.005 0.000 1.203 443 A CA 2.462 54.503 52.037 0.006 0.000 0.638 443 A CB -0.825 18.178 19.000 0.005 0.000 0.831 443 A HN 0.523 nan 8.150 nan 0.000 0.450 444 L N -1.357 119.869 121.223 0.005 0.000 2.021 444 L HA -0.280 4.060 4.340 0.000 0.000 0.215 444 L C 2.827 179.701 176.870 0.006 0.000 1.074 444 L CA 2.099 56.943 54.840 0.005 0.000 0.760 444 L CB -0.643 41.419 42.059 0.006 0.000 0.889 444 L HN 0.449 nan 8.230 nan 0.000 0.433 445 R N 0.147 120.651 120.500 0.006 0.000 2.096 445 R HA -0.224 4.116 4.340 0.000 0.000 0.240 445 R C 2.337 178.640 176.300 0.005 0.000 1.139 445 R CA 1.742 57.845 56.100 0.005 0.000 0.952 445 R CB -0.356 29.947 30.300 0.005 0.000 0.854 445 R HN 0.408 nan 8.270 nan 0.000 0.436 446 A N 0.527 123.351 122.820 0.005 0.000 2.070 446 A HA -0.146 4.174 4.320 0.000 0.000 0.220 446 A C 1.996 179.584 177.584 0.006 0.000 1.159 446 A CA 1.403 53.443 52.037 0.006 0.000 0.656 446 A CB -0.410 18.595 19.000 0.007 0.000 0.800 446 A HN 0.363 nan 8.150 nan 0.000 0.453 447 M N -0.556 119.047 119.600 0.006 0.000 2.700 447 M HA -0.074 4.406 4.480 0.000 0.000 0.249 447 M C 1.013 177.317 176.300 0.007 0.000 1.082 447 M CA 0.892 56.195 55.300 0.006 0.000 1.077 447 M CB -0.345 32.259 32.600 0.006 0.000 1.477 447 M HN 0.441 nan 8.290 nan 0.000 0.529 448 E N 0.527 120.731 120.200 0.006 0.000 2.474 448 E HA 0.098 4.448 4.350 0.000 0.000 0.194 448 E C 2.007 178.609 176.600 0.003 0.000 1.041 448 E CA 0.195 56.599 56.400 0.006 0.000 0.874 448 E CB 0.151 29.854 29.700 0.005 0.000 0.914 448 E HN 0.483 nan 8.360 nan 0.000 0.498 449 A N 2.449 125.271 122.820 0.003 0.000 1.841 449 A HA -0.135 4.185 4.320 0.000 0.000 0.216 449 A C -0.316 177.269 177.584 0.002 0.000 1.199 449 A CA 1.310 53.348 52.037 0.002 0.000 0.621 449 A CB -1.541 17.462 19.000 0.004 0.000 0.835 449 A HN 0.104 nan 8.150 nan 0.000 0.445 450 P HA -0.212 nan 4.420 nan 0.000 0.215 450 P C 1.816 179.119 177.300 0.004 0.000 1.163 450 P CA 1.261 64.364 63.100 0.005 0.000 0.894 450 P CB -0.137 31.567 31.700 0.006 0.000 0.791 451 L N -0.131 121.095 121.223 0.005 0.000 1.956 451 L HA -0.233 4.107 4.340 0.000 0.000 0.216 451 L C 2.496 179.363 176.870 -0.006 0.000 1.073 451 L CA 2.035 56.877 54.840 0.005 0.000 0.762 451 L CB -0.520 41.543 42.059 0.006 0.000 0.889 451 L HN -0.059 nan 8.230 nan 0.000 0.433 452 R N -1.048 119.445 120.500 -0.012 0.000 2.357 452 R HA -0.128 4.212 4.340 0.000 0.000 0.202 452 R C 1.882 178.171 176.300 -0.018 0.000 1.047 452 R CA 0.541 56.627 56.100 -0.023 0.000 1.034 452 R CB -0.295 29.991 30.300 -0.023 0.000 0.875 452 R HN 0.450 nan 8.270 nan 0.000 0.473 453 Q N 1.383 121.178 119.800 -0.009 0.000 2.165 453 Q HA 0.103 4.443 4.340 0.000 0.000 0.197 453 Q C 2.093 178.090 176.000 -0.005 0.000 0.952 453 Q CA 0.985 56.784 55.803 -0.006 0.000 0.848 453 Q CB 0.019 28.756 28.738 -0.002 0.000 0.931 453 Q HN 0.418 nan 8.270 nan 0.000 0.470 454 I N 0.105 120.675 120.570 -0.000 0.000 2.151 454 I HA -0.320 3.850 4.170 0.000 0.000 0.243 454 I C 2.294 178.417 176.117 0.010 0.000 1.080 454 I CA 1.143 62.448 61.300 0.008 0.000 1.339 454 I CB -0.472 37.539 38.000 0.018 0.000 1.039 454 I HN -0.017 nan 8.210 nan 0.000 0.409 455 V N 0.525 120.435 119.914 -0.006 0.000 2.255 455 V HA -0.288 3.832 4.120 0.000 0.000 0.247 455 V C 2.396 178.474 176.094 -0.028 0.000 1.051 455 V CA 1.655 63.934 62.300 -0.035 0.000 1.018 455 V CB -0.590 31.168 31.823 -0.108 0.000 0.641 455 V HN 0.339 nan 8.190 nan 0.000 0.445 456 L N 0.704 121.912 121.223 -0.026 0.000 2.187 456 L HA -0.133 4.207 4.340 0.000 0.000 0.213 456 L C 1.822 178.687 176.870 -0.009 0.000 1.100 456 L CA 1.806 56.634 54.840 -0.019 0.000 0.765 456 L CB -1.264 40.785 42.059 -0.017 0.000 0.904 456 L HN 0.436 nan 8.230 nan 0.000 0.437 457 N N -2.297 116.401 118.700 -0.004 0.000 2.501 457 N HA -0.059 4.681 4.740 0.000 0.000 0.195 457 N C 0.658 176.171 175.510 0.005 0.000 1.213 457 N CA 0.306 53.356 53.050 0.000 0.000 0.864 457 N CB -0.037 38.451 38.487 0.001 0.000 0.999 457 N HN 0.339 nan 8.380 nan 0.000 0.454 458 C N -0.482 118.822 119.300 0.006 0.000 3.386 458 C HA 0.311 4.771 4.460 0.000 0.000 0.279 458 C C 1.454 176.449 174.990 0.008 0.000 1.508 458 C CA -0.572 58.456 59.018 0.016 0.000 1.801 458 C CB -0.468 27.297 27.740 0.042 0.000 2.798 458 C HN 0.528 nan 8.230 nan 0.000 0.605 459 G N 2.234 111.033 108.800 -0.001 0.000 2.305 459 G HA2 -0.218 3.742 3.960 0.000 0.000 0.287 459 G HA3 -0.218 3.742 3.960 0.000 0.000 0.287 459 G C -0.369 174.526 174.900 -0.009 0.000 1.036 459 G CA 0.526 45.624 45.100 -0.004 0.000 0.887 459 G HN 0.702 nan 8.290 nan 0.000 0.505 460 E N -0.187 120.000 120.200 -0.022 0.000 2.343 460 E HA 0.324 4.674 4.350 0.000 0.000 0.270 460 E C -0.366 176.198 176.600 -0.061 0.000 0.895 460 E CA -1.096 55.279 56.400 -0.042 0.000 0.767 460 E CB 1.119 30.781 29.700 -0.064 0.000 1.248 460 E HN 0.246 nan 8.360 nan 0.000 0.440 461 E N 2.347 122.511 120.200 -0.060 0.000 2.603 461 E HA -0.036 4.314 4.350 0.000 0.000 0.242 461 E C -1.971 174.582 176.600 -0.080 0.000 1.083 461 E CA -0.937 55.430 56.400 -0.055 0.000 0.950 461 E CB 0.044 29.719 29.700 -0.042 0.000 0.952 461 E HN 0.281 nan 8.360 nan 0.000 0.498 462 P HA -0.167 nan 4.420 nan 0.000 0.216 462 P C 1.479 178.747 177.300 -0.055 0.000 1.153 462 P CA 1.383 64.444 63.100 -0.065 0.000 0.848 462 P CB 0.221 31.898 31.700 -0.040 0.000 0.787 463 S N -1.356 114.322 115.700 -0.037 0.000 2.406 463 S HA -0.079 4.391 4.470 0.000 0.000 0.228 463 S C 2.023 176.608 174.600 -0.024 0.000 1.020 463 S CA 0.968 59.153 58.200 -0.025 0.000 0.965 463 S CB -1.630 61.560 63.200 -0.016 0.000 0.798 463 S HN -0.068 nan 8.310 nan 0.000 0.488 464 V N 1.781 121.676 119.914 -0.032 0.000 2.270 464 V HA -0.122 3.998 4.120 0.000 0.000 0.245 464 V C 2.606 178.691 176.094 -0.015 0.000 1.043 464 V CA 1.501 63.788 62.300 -0.021 0.000 1.014 464 V CB -0.724 31.088 31.823 -0.019 0.000 0.645 464 V HN 0.411 nan 8.190 nan 0.000 0.447 465 V N 0.291 120.167 119.914 -0.063 0.000 2.215 465 V HA -0.329 3.791 4.120 0.000 0.000 0.246 465 V C 2.740 178.844 176.094 0.016 0.000 1.047 465 V CA 2.351 64.613 62.300 -0.062 0.000 0.999 465 V CB -1.448 30.176 31.823 -0.332 0.000 0.635 465 V HN 0.566 nan 8.190 nan 0.000 0.450 466 A N 0.497 123.304 122.820 -0.022 0.000 1.935 466 A HA -0.413 3.907 4.320 0.000 0.000 0.224 466 A C 2.013 179.613 177.584 0.027 0.000 1.324 466 A CA 2.814 54.855 52.037 0.007 0.000 0.686 466 A CB -1.158 17.838 19.000 -0.006 0.000 0.837 466 A HN 0.682 nan 8.150 nan 0.000 0.481 467 N N -0.567 118.143 118.700 0.015 0.000 2.007 467 N HA -0.198 4.542 4.740 0.000 0.000 0.197 467 N C 2.103 177.629 175.510 0.027 0.000 1.050 467 N CA 2.890 55.950 53.050 0.016 0.000 0.856 467 N CB -1.313 37.176 38.487 0.004 0.000 1.050 467 N HN 0.791 nan 8.380 nan 0.000 0.423 468 T N -0.156 114.404 114.554 0.010 0.000 2.653 468 T HA -0.137 4.213 4.350 0.000 0.000 0.268 468 T C 2.136 176.884 174.700 0.080 0.000 1.035 468 T CA 1.947 64.031 62.100 -0.027 0.000 1.154 468 T CB -0.925 67.803 68.868 -0.233 0.000 0.862 468 T HN 0.000 nan 8.240 nan 0.000 0.441 469 V N 1.918 121.889 119.914 0.096 0.000 2.407 469 V HA -0.133 3.987 4.120 0.000 0.000 0.248 469 V C 2.791 178.976 176.094 0.153 0.000 1.055 469 V CA 2.043 64.412 62.300 0.114 0.000 1.049 469 V CB -0.617 31.261 31.823 0.092 0.000 0.662 469 V HN 0.574 nan 8.190 nan 0.000 0.455 470 K N 0.154 120.613 120.400 0.098 0.000 2.366 470 K HA 0.010 4.330 4.320 0.000 0.000 0.198 470 K C 2.156 178.804 176.600 0.080 0.000 1.044 470 K CA 0.958 57.293 56.287 0.080 0.000 0.973 470 K CB -0.324 32.204 32.500 0.046 0.000 0.767 470 K HN 0.558 nan 8.250 nan 0.000 0.475 471 G N 1.449 110.300 108.800 0.086 0.000 2.448 471 G HA2 -0.090 3.870 3.960 0.000 0.000 0.218 471 G HA3 -0.090 3.870 3.960 0.000 0.000 0.218 471 G C 0.829 175.756 174.900 0.045 0.000 1.135 471 G CA 0.506 45.635 45.100 0.048 0.000 0.784 471 G HN 0.343 nan 8.290 nan 0.000 0.543 472 G N -0.465 108.433 108.800 0.163 0.000 2.570 472 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 -0.878 174.080 174.900 0.097 0.000 1.346 472 G CA -0.225 44.939 45.100 0.108 0.000 1.034 472 G HN 0.277 nan 8.290 nan 0.000 0.512 473 D N -2.611 117.831 120.400 0.070 0.000 2.687 473 D HA 0.542 5.182 4.640 0.000 0.000 0.264 473 D C 1.134 177.495 176.300 0.100 0.000 1.091 473 D CA 0.390 54.426 54.000 0.061 0.000 1.123 473 D CB 0.680 41.484 40.800 0.008 0.000 1.407 473 D HN 0.743 nan 8.370 nan 0.000 0.591 474 G N 0.454 109.294 108.800 0.067 0.000 2.685 474 G HA2 -0.418 3.542 3.960 0.000 0.000 0.357 474 G HA3 -0.418 3.542 3.960 0.000 0.000 0.357 474 G C 0.281 175.238 174.900 0.095 0.000 1.272 474 G CA 0.873 46.014 45.100 0.068 0.000 0.972 474 G HN 0.672 nan 8.290 nan 0.000 0.550 475 N N -0.046 118.715 118.700 0.101 0.000 2.295 475 N HA 0.208 4.948 4.740 0.000 0.000 0.221 475 N C -0.098 175.508 175.510 0.160 0.000 1.129 475 N CA -0.292 52.820 53.050 0.103 0.000 0.836 475 N CB 0.316 38.845 38.487 0.071 0.000 1.040 475 N HN 0.438 nan 8.380 nan 0.000 0.494 476 Y N 1.960 122.290 120.300 0.051 0.000 2.526 476 Y HA 0.312 4.862 4.550 0.000 0.000 0.330 476 Y C 0.484 176.451 175.900 0.111 0.000 1.156 476 Y CA -0.049 58.096 58.100 0.076 0.000 1.419 476 Y CB 0.323 38.819 38.460 0.061 0.000 1.250 476 Y HN 0.041 nan 8.280 nan 0.000 0.540 477 G N 4.716 113.368 108.800 -0.246 0.000 2.673 477 G HA2 0.286 4.246 3.960 0.000 0.000 0.292 477 G HA3 0.286 4.246 3.960 0.000 0.000 0.292 477 G C -2.440 172.367 174.900 -0.154 0.000 1.450 477 G CA -1.003 43.993 45.100 -0.174 0.000 0.837 477 G HN 0.628 nan 8.290 nan 0.000 0.505 478 Y N 1.728 121.890 120.300 -0.230 0.000 2.319 478 Y HA 0.513 5.063 4.550 0.000 0.000 0.328 478 Y C 0.246 175.974 175.900 -0.287 0.000 1.133 478 Y CA -0.658 57.182 58.100 -0.434 0.000 1.265 478 Y CB 1.291 39.443 38.460 -0.515 0.000 1.218 478 Y HN 0.443 nan 8.280 nan 0.000 0.508 479 N N 4.727 122.902 118.700 -0.874 0.000 2.546 479 N HA 0.230 4.970 4.740 0.000 0.000 0.238 479 N C 0.270 175.289 175.510 -0.819 0.000 0.984 479 N CA 0.442 53.142 53.050 -0.582 0.000 0.935 479 N CB 1.362 39.605 38.487 -0.407 0.000 1.122 479 N HN 0.929 nan 8.380 nan 0.000 0.510 480 A N 3.965 126.551 122.820 -0.391 0.000 1.908 480 A HA -0.130 4.190 4.320 0.000 0.000 0.218 480 A C 2.087 179.574 177.584 -0.162 0.000 1.181 480 A CA 2.029 53.983 52.037 -0.138 0.000 0.627 480 A CB -0.739 18.287 19.000 0.043 0.000 0.818 480 A HN 0.714 nan 8.150 nan 0.000 0.445 481 A N -0.521 122.205 122.820 -0.156 0.000 1.877 481 A HA -0.120 4.200 4.320 0.000 0.000 0.216 481 A C 2.400 179.903 177.584 -0.135 0.000 1.186 481 A CA 2.627 54.596 52.037 -0.113 0.000 0.620 481 A CB -1.255 17.690 19.000 -0.091 0.000 0.822 481 A HN 0.870 nan 8.150 nan 0.000 0.443 482 T N -3.616 110.817 114.554 -0.202 0.000 3.065 482 T HA 0.187 4.537 4.350 0.000 0.000 0.252 482 T C 0.359 174.921 174.700 -0.229 0.000 1.099 482 T CA 0.776 62.768 62.100 -0.181 0.000 1.063 482 T CB -0.345 68.419 68.868 -0.172 0.000 0.948 482 T HN 0.593 nan 8.240 nan 0.000 0.506 483 E N 1.562 121.535 120.200 -0.378 0.000 2.476 483 E HA -0.174 4.176 4.350 0.000 0.000 0.251 483 E C -0.418 175.933 176.600 -0.415 0.000 1.130 483 E CA 0.839 57.013 56.400 -0.376 0.000 0.736 483 E CB -1.672 27.993 29.700 -0.059 0.000 1.298 483 E HN 0.977 nan 8.360 nan 0.000 0.400 484 E N -0.998 118.797 120.200 -0.674 0.000 2.352 484 E HA 0.430 4.780 4.350 0.000 0.000 0.280 484 E C -0.737 175.601 176.600 -0.436 0.000 0.930 484 E CA -0.948 55.230 56.400 -0.369 0.000 0.765 484 E CB 0.816 30.453 29.700 -0.105 0.000 1.219 484 E HN 0.028 nan 8.360 nan 0.000 0.434 485 Y N 1.178 121.432 120.300 -0.077 0.000 2.258 485 Y HA 0.644 5.194 4.550 0.000 0.000 0.345 485 Y C 1.383 177.274 175.900 -0.015 0.000 1.303 485 Y CA 1.214 59.254 58.100 -0.100 0.000 1.537 485 Y CB 0.920 39.324 38.460 -0.093 0.000 1.383 485 Y HN 0.938 nan 8.280 nan 0.000 0.606 486 G N -0.134 108.772 108.800 0.176 0.000 2.350 486 G HA2 -0.054 3.906 3.960 0.000 0.000 0.276 486 G HA3 -0.054 3.906 3.960 0.000 0.000 0.276 486 G C -1.779 173.230 174.900 0.183 0.000 1.313 486 G CA -1.140 44.100 45.100 0.233 0.000 0.903 486 G HN 0.608 nan 8.290 nan 0.000 0.490 487 N N 1.182 119.964 118.700 0.137 0.000 2.408 487 N HA 0.180 4.920 4.740 0.000 0.000 0.257 487 N C 1.822 177.360 175.510 0.047 0.000 1.064 487 N CA -0.526 52.586 53.050 0.103 0.000 0.952 487 N CB 0.818 39.354 38.487 0.082 0.000 1.093 487 N HN 0.401 nan 8.380 nan 0.000 0.490 488 M N 3.375 122.996 119.600 0.036 0.000 2.149 488 M HA -0.170 4.310 4.480 0.000 0.000 0.261 488 M C 1.491 177.796 176.300 0.009 0.000 1.064 488 M CA 1.089 56.394 55.300 0.007 0.000 1.102 488 M CB -0.543 32.062 32.600 0.008 0.000 1.369 488 M HN 0.540 nan 8.290 nan 0.000 0.408 489 I N 0.414 120.996 120.570 0.020 0.000 2.193 489 I HA -0.213 3.957 4.170 0.000 0.000 0.240 489 I C 1.847 177.971 176.117 0.012 0.000 1.084 489 I CA 1.247 62.556 61.300 0.015 0.000 1.365 489 I CB -1.504 36.507 38.000 0.019 0.000 1.064 489 I HN 0.251 nan 8.210 nan 0.000 0.410 490 D N 0.663 121.073 120.400 0.017 0.000 2.265 490 D HA -0.163 4.477 4.640 0.000 0.000 0.208 490 D C 2.088 178.391 176.300 0.006 0.000 0.977 490 D CA 1.062 55.070 54.000 0.014 0.000 0.871 490 D CB -0.042 40.771 40.800 0.021 0.000 0.925 490 D HN 0.393 nan 8.370 nan 0.000 0.485 491 M N -0.917 118.683 119.600 0.001 0.000 2.495 491 M HA 0.157 4.637 4.480 0.000 0.000 0.237 491 M C 1.153 177.444 176.300 -0.015 0.000 1.131 491 M CA 0.408 55.700 55.300 -0.013 0.000 1.032 491 M CB 0.644 33.228 32.600 -0.027 0.000 1.513 491 M HN -0.001 nan 8.290 nan 0.000 0.488 492 G N 2.311 111.106 108.800 -0.008 0.000 2.160 492 G HA2 -0.243 3.717 3.960 0.000 0.000 0.251 492 G HA3 -0.243 3.717 3.960 0.000 0.000 0.251 492 G C 0.077 174.972 174.900 -0.010 0.000 1.008 492 G CA -0.166 44.930 45.100 -0.007 0.000 0.724 492 G HN 0.550 nan 8.290 nan 0.000 0.514 493 I N 1.561 122.123 120.570 -0.012 0.000 2.243 493 I HA 0.314 4.484 4.170 0.000 0.000 0.289 493 I C 0.668 176.782 176.117 -0.006 0.000 1.140 493 I CA -0.337 60.954 61.300 -0.015 0.000 1.289 493 I CB 0.008 37.992 38.000 -0.026 0.000 1.498 493 I HN 0.040 nan 8.210 nan 0.000 0.561 494 L N 3.297 124.519 121.223 -0.002 0.000 2.322 494 L HA 0.579 4.919 4.340 0.000 0.000 0.279 494 L C -0.683 176.189 176.870 0.004 0.000 1.036 494 L CA -0.805 54.036 54.840 0.003 0.000 0.807 494 L CB 1.210 43.272 42.059 0.005 0.000 1.226 494 L HN 0.251 nan 8.230 nan 0.000 0.433 495 D N 3.261 123.665 120.400 0.006 0.000 2.408 495 D HA 0.292 4.932 4.640 0.000 0.000 0.243 495 D C -2.447 173.857 176.300 0.008 0.000 1.075 495 D CA -1.433 52.571 54.000 0.007 0.000 0.832 495 D CB 1.940 42.743 40.800 0.005 0.000 1.162 495 D HN 0.274 nan 8.370 nan 0.000 0.515 496 P HA -0.041 nan 4.420 nan 0.000 0.261 496 P C 0.851 178.155 177.300 0.007 0.000 1.203 496 P CA 0.005 63.112 63.100 0.012 0.000 0.767 496 P CB 0.716 32.428 31.700 0.020 0.000 0.785 497 T N 3.451 118.007 114.554 0.004 0.000 2.635 497 T HA -0.270 4.080 4.350 0.000 0.000 0.265 497 T C 1.674 176.369 174.700 -0.009 0.000 1.058 497 T CA 2.158 64.257 62.100 -0.002 0.000 1.162 497 T CB -0.483 68.384 68.868 -0.002 0.000 0.859 497 T HN 0.522 nan 8.240 nan 0.000 0.449 498 K N 0.754 121.151 120.400 -0.005 0.000 2.089 498 K HA -0.186 4.134 4.320 0.000 0.000 0.210 498 K C 2.419 179.009 176.600 -0.017 0.000 1.048 498 K CA 2.025 58.305 56.287 -0.010 0.000 0.926 498 K CB -0.428 32.076 32.500 0.006 0.000 0.714 498 K HN 0.436 nan 8.250 nan 0.000 0.448 499 V N -1.201 118.713 119.914 -0.001 0.000 2.270 499 V HA -0.179 3.941 4.120 0.000 0.000 0.245 499 V C 1.932 178.016 176.094 -0.016 0.000 1.043 499 V CA 2.285 64.587 62.300 0.003 0.000 1.014 499 V CB -1.284 30.550 31.823 0.017 0.000 0.645 499 V HN 0.300 nan 8.190 nan 0.000 0.447 500 T N 0.535 115.081 114.554 -0.013 0.000 2.721 500 T HA -0.240 4.110 4.350 0.000 0.000 0.268 500 T C 2.074 176.750 174.700 -0.039 0.000 1.038 500 T CA 2.326 64.415 62.100 -0.018 0.000 1.145 500 T CB -0.480 68.382 68.868 -0.011 0.000 0.858 500 T HN 0.551 nan 8.240 nan 0.000 0.459 501 R N 0.911 121.378 120.500 -0.055 0.000 2.062 501 R HA 0.011 4.351 4.340 0.000 0.000 0.229 501 R C 2.523 178.726 176.300 -0.162 0.000 1.128 501 R CA 1.547 57.594 56.100 -0.087 0.000 0.960 501 R CB -0.662 29.592 30.300 -0.077 0.000 0.855 501 R HN 0.320 nan 8.270 nan 0.000 0.432 502 S N 1.215 116.801 115.700 -0.191 0.000 2.356 502 S HA -0.128 4.342 4.470 0.000 0.000 0.223 502 S C 2.123 176.543 174.600 -0.299 0.000 1.032 502 S CA 1.289 59.250 58.200 -0.398 0.000 1.005 502 S CB -0.390 62.665 63.200 -0.242 0.000 0.867 502 S HN 0.549 nan 8.310 nan 0.000 0.449 503 A N 2.312 125.081 122.820 -0.085 0.000 1.884 503 A HA -0.137 4.183 4.320 0.000 0.000 0.219 503 A C 2.121 179.694 177.584 -0.018 0.000 1.197 503 A CA 1.588 53.625 52.037 -0.001 0.000 0.637 503 A CB -0.995 18.010 19.000 0.008 0.000 0.827 503 A HN 0.435 nan 8.150 nan 0.000 0.450 504 L N -0.215 120.978 121.223 -0.051 0.000 2.012 504 L HA -0.236 4.104 4.340 0.000 0.000 0.210 504 L C 2.546 179.385 176.870 -0.051 0.000 1.073 504 L CA 2.547 57.364 54.840 -0.039 0.000 0.748 504 L CB -1.351 40.683 42.059 -0.041 0.000 0.891 504 L HN 0.588 nan 8.230 nan 0.000 0.431 505 Q N -1.088 118.632 119.800 -0.134 0.000 1.942 505 Q HA -0.252 4.088 4.340 0.000 0.000 0.203 505 Q C 2.112 178.103 176.000 -0.014 0.000 0.987 505 Q CA 1.975 57.691 55.803 -0.145 0.000 0.844 505 Q CB -0.460 28.081 28.738 -0.327 0.000 0.911 505 Q HN 0.425 nan 8.270 nan 0.000 0.423 506 Y N 0.507 120.810 120.300 0.004 0.000 2.193 506 Y HA -0.253 4.297 4.550 0.000 0.000 0.285 506 Y C 2.410 178.312 175.900 0.003 0.000 1.166 506 Y CA 0.831 58.932 58.100 0.003 0.000 1.181 506 Y CB -1.204 37.257 38.460 0.002 0.000 0.976 506 Y HN 0.200 nan 8.280 nan 0.000 0.520 507 A N -0.010 122.901 122.820 0.152 0.000 1.858 507 A HA -0.103 4.217 4.320 0.000 0.000 0.216 507 A C 2.567 180.189 177.584 0.064 0.000 1.190 507 A CA 2.188 54.276 52.037 0.086 0.000 0.617 507 A CB -1.270 17.762 19.000 0.053 0.000 0.827 507 A HN 0.383 nan 8.150 nan 0.000 0.443 508 A N -0.911 121.938 122.820 0.049 0.000 1.858 508 A HA -0.129 4.191 4.320 0.000 0.000 0.216 508 A C 2.449 180.061 177.584 0.046 0.000 1.190 508 A CA 2.265 54.324 52.037 0.036 0.000 0.617 508 A CB -1.257 17.756 19.000 0.021 0.000 0.827 508 A HN 0.609 nan 8.150 nan 0.000 0.443 509 S N -0.796 114.944 115.700 0.067 0.000 2.399 509 S HA -0.250 4.220 4.470 0.000 0.000 0.235 509 S C 1.971 176.604 174.600 0.055 0.000 1.063 509 S CA 2.871 61.115 58.200 0.073 0.000 1.070 509 S CB -0.811 62.466 63.200 0.128 0.000 0.904 509 S HN 1.082 nan 8.310 nan 0.000 0.456 510 V N -0.730 119.217 119.914 0.054 0.000 2.341 510 V HA 0.341 4.461 4.120 0.000 0.000 0.240 510 V C 2.522 178.633 176.094 0.028 0.000 1.035 510 V CA 1.148 63.469 62.300 0.035 0.000 1.033 510 V CB -1.637 30.203 31.823 0.028 0.000 0.678 510 V HN 0.465 nan 8.190 nan 0.000 0.464 511 A N 1.747 124.585 122.820 0.030 0.000 1.909 511 A HA -0.206 4.114 4.320 0.000 0.000 0.221 511 A C 2.453 180.050 177.584 0.021 0.000 1.223 511 A CA 3.329 55.380 52.037 0.024 0.000 0.658 511 A CB -1.851 17.163 19.000 0.024 0.000 0.831 511 A HN 0.946 nan 8.150 nan 0.000 0.462 512 G N -0.524 108.290 108.800 0.023 0.000 2.586 512 G HA2 -0.287 3.673 3.960 0.000 0.000 0.218 512 G HA3 -0.287 3.673 3.960 0.000 0.000 0.218 512 G C 1.587 176.497 174.900 0.017 0.000 1.216 512 G CA 1.307 46.419 45.100 0.019 0.000 0.786 512 G HN 0.476 nan 8.290 nan 0.000 0.583 513 L N -0.497 120.737 121.223 0.019 0.000 1.971 513 L HA -0.149 4.191 4.340 0.000 0.000 0.215 513 L C 3.014 179.893 176.870 0.014 0.000 1.072 513 L CA 1.799 56.648 54.840 0.016 0.000 0.758 513 L CB -0.387 41.681 42.059 0.015 0.000 0.889 513 L HN 0.273 nan 8.230 nan 0.000 0.433 514 M N -0.012 119.597 119.600 0.015 0.000 2.116 514 M HA -0.279 4.201 4.480 0.000 0.000 0.255 514 M C 2.032 178.340 176.300 0.013 0.000 1.075 514 M CA 2.006 57.315 55.300 0.014 0.000 1.087 514 M CB -0.327 32.283 32.600 0.016 0.000 1.340 514 M HN 0.382 nan 8.290 nan 0.000 0.402 515 I N -2.192 118.386 120.570 0.013 0.000 3.444 515 I HA -0.019 4.151 4.170 0.000 0.000 0.287 515 I C 0.974 177.098 176.117 0.011 0.000 1.302 515 I CA 1.108 62.415 61.300 0.012 0.000 1.368 515 I CB -0.724 37.283 38.000 0.011 0.000 1.048 515 I HN 0.243 nan 8.210 nan 0.000 0.487 516 T N -2.201 112.360 114.554 0.012 0.000 3.214 516 T HA 0.256 4.606 4.350 0.000 0.000 0.264 516 T C 0.479 175.186 174.700 0.011 0.000 1.012 516 T CA -0.385 61.722 62.100 0.012 0.000 0.901 516 T CB -0.682 68.193 68.868 0.012 0.000 1.070 516 T HN 0.212 nan 8.240 nan 0.000 0.561 517 T N 2.198 116.758 114.554 0.010 0.000 2.869 517 T HA 0.378 4.728 4.350 0.000 0.000 0.295 517 T C 0.700 175.405 174.700 0.008 0.000 0.987 517 T CA -0.379 61.724 62.100 0.005 0.000 1.109 517 T CB 1.796 70.666 68.868 0.004 0.000 0.932 517 T HN 0.320 nan 8.240 nan 0.000 0.518 518 E N 0.390 120.594 120.200 0.007 0.000 2.536 518 E HA 0.204 4.554 4.350 0.000 0.000 0.220 518 E C -0.115 176.497 176.600 0.020 0.000 0.876 518 E CA -0.141 56.280 56.400 0.034 0.000 1.190 518 E CB 0.542 30.277 29.700 0.057 0.000 1.191 518 E HN 0.641 nan 8.360 nan 0.000 0.557 519 C N 0.254 119.511 119.300 -0.071 0.000 3.173 519 C HA 0.810 5.270 4.460 0.000 0.000 0.310 519 C C -1.681 173.200 174.990 -0.181 0.000 1.306 519 C CA -0.645 58.219 59.018 -0.257 0.000 1.426 519 C CB 0.772 28.238 27.740 -0.456 0.000 1.800 519 C HN 0.317 nan 8.230 nan 0.000 0.470 520 M N 4.219 123.700 119.600 -0.198 0.000 2.322 520 M HA 0.530 5.010 4.480 0.000 0.000 0.286 520 M C -1.210 175.152 176.300 0.102 0.000 1.111 520 M CA -0.421 54.885 55.300 0.010 0.000 0.941 520 M CB 2.136 34.829 32.600 0.154 0.000 1.671 520 M HN 0.455 nan 8.290 nan 0.000 0.470 521 V N 0.897 120.850 119.914 0.066 0.000 2.715 521 V HA 0.945 5.065 4.120 0.000 0.000 0.310 521 V C -0.191 175.890 176.094 -0.021 0.000 1.054 521 V CA -0.443 61.883 62.300 0.042 0.000 0.928 521 V CB 2.050 33.860 31.823 -0.023 0.000 1.007 521 V HN 0.958 nan 8.190 nan 0.000 0.437 522 T N 1.358 115.858 114.554 -0.090 0.000 2.686 522 T HA 0.295 4.645 4.350 0.000 0.000 0.308 522 T C -1.680 172.918 174.700 -0.170 0.000 1.667 522 T CA -0.580 61.400 62.100 -0.200 0.000 0.987 522 T CB 1.633 70.233 68.868 -0.447 0.000 1.652 522 T HN 0.715 nan 8.240 nan 0.000 0.496 523 D N 0.919 121.223 120.400 -0.161 0.000 2.371 523 D HA 0.478 5.118 4.640 0.000 0.000 0.242 523 D C 0.159 176.390 176.300 -0.115 0.000 1.218 523 D CA -0.134 53.801 54.000 -0.108 0.000 0.945 523 D CB 0.369 41.118 40.800 -0.085 0.000 1.137 523 D HN 0.407 nan 8.370 nan 0.000 0.464 524 L N 1.851 123.038 121.223 -0.061 0.000 2.418 524 L HA 0.244 4.584 4.340 0.000 0.000 0.265 524 L C -1.366 175.479 176.870 -0.041 0.000 1.143 524 L CA -1.509 53.309 54.840 -0.037 0.000 0.809 524 L CB 0.489 42.544 42.059 -0.008 0.000 1.124 524 L HN 0.363 nan 8.230 nan 0.000 0.456 525 P HA 0.070 nan 4.420 nan 0.000 0.271 525 P C -0.452 176.839 177.300 -0.014 0.000 1.601 525 P CA 0.632 63.720 63.100 -0.021 0.000 0.856 525 P CB -0.274 31.427 31.700 0.001 0.000 1.820 526 K N 0.000 120.389 120.400 -0.018 0.000 2.780 526 K HA 0.000 4.320 4.320 0.000 0.000 0.191 526 K CA 0.000 nan 56.287 nan 0.000 0.838 526 K CB 0.000 nan 32.500 nan 0.000 1.064 526 K HN 0.000 nan 8.250 nan 0.000 0.543