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 1aon_1_K DATA FIRST_RESID 2 DATA SEQUENCE AAKDVKFGND ARVKMLRGVN VLADAVKVTL GPKGRNVVLD KSFGAPTITK DATA SEQUENCE DGVSVAREIE LEDKFENMGA QMVKEVASKA NDAAGDGTTT ATVLAQAIIT DATA SEQUENCE EGLKAVAAGM NPMDLKRGID KAVTAAVEEL KALSVPCSDS KAIAQVGTIS DATA SEQUENCE ANSDETVGKL IAEAMDKVGK EGVITVEDGT GLQDELDVVE GMQFDRGYLS DATA SEQUENCE PYFINKPETG AVELESPFIL LADKKISNIR EMLPVLEAVA KAGKPLLIIA DATA SEQUENCE EDVEGEALAT LVVNTMRGIV KVAAVKAPGF GDRRKAMLQD IATLTGGTVI DATA SEQUENCE SEEIGMELEK ATLEDLGQAK RVVINKDTTT IIDGVGEEAA IQGRVAQIRQ DATA SEQUENCE QIEEATSDYD REKLQERVAK LAGGVAVIKV GAATEVEMKE KKARVEDALH DATA SEQUENCE ATRAAVEEGV VAGGGVALIR VASKLADLRG QNEDQNVGIK VALRAMEAPL DATA SEQUENCE RQIVLNCGEE PSVVANTVKG GDGNYGYNAA TEEYGNMIDM GILDPTKVTR DATA SEQUENCE SALQYAASVA GLMITTECMV TDLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.008 0.000 1.274 2 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 2 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 3 A N 3.486 126.303 122.820 -0.006 0.000 2.409 3 A HA 0.612 4.932 4.320 0.000 0.000 0.262 3 A C 0.385 177.965 177.584 -0.006 0.000 1.113 3 A CA -0.033 52.004 52.037 -0.000 0.000 0.790 3 A CB 0.188 19.190 19.000 0.003 0.000 1.046 3 A HN 0.605 nan 8.150 nan 0.000 0.496 4 K N 1.431 121.833 120.400 0.003 0.000 2.109 4 K HA 0.423 4.743 4.320 0.000 0.000 0.243 4 K C -0.858 175.755 176.600 0.021 0.000 1.006 4 K CA -0.637 55.649 56.287 -0.001 0.000 0.917 4 K CB 0.968 33.473 32.500 0.007 0.000 1.081 4 K HN 0.723 nan 8.250 nan 0.000 0.468 5 D N 0.564 120.975 120.400 0.019 0.000 2.375 5 D HA 0.368 5.008 4.640 0.000 0.000 0.247 5 D C -1.371 175.075 176.300 0.243 0.000 1.061 5 D CA -0.652 53.403 54.000 0.093 0.000 0.834 5 D CB 1.297 42.096 40.800 -0.000 0.000 1.247 5 D HN 0.063 nan 8.370 nan 0.000 0.489 6 V N 4.222 124.285 119.914 0.248 0.000 2.588 6 V HA 0.469 4.589 4.120 0.000 0.000 0.304 6 V C 0.096 176.236 176.094 0.077 0.000 1.042 6 V CA -0.808 61.588 62.300 0.159 0.000 0.877 6 V CB 1.876 33.724 31.823 0.041 0.000 0.996 6 V HN 0.416 nan 8.190 nan 0.000 0.425 7 K N 3.304 123.574 120.400 -0.217 0.000 2.340 7 K HA 0.790 5.110 4.320 0.000 0.000 0.244 7 K C -1.578 174.800 176.600 -0.369 0.000 0.973 7 K CA -0.562 55.573 56.287 -0.253 0.000 0.828 7 K CB 2.457 34.593 32.500 -0.607 0.000 1.226 7 K HN 0.423 nan 8.250 nan 0.000 0.437 8 F N -0.521 119.346 119.950 -0.138 0.000 2.631 8 F HA 0.400 4.927 4.527 -0.000 0.000 0.328 8 F C 1.327 177.071 175.800 -0.093 0.000 1.067 8 F CA -0.056 57.887 58.000 -0.096 0.000 0.969 8 F CB 1.095 40.062 39.000 -0.055 0.000 1.332 8 F HN 0.810 nan 8.300 nan 0.000 0.490 9 G N 1.587 110.477 108.800 0.151 0.000 2.672 9 G HA2 -0.465 3.495 3.960 0.000 0.000 0.356 9 G HA3 -0.465 3.495 3.960 0.000 0.000 0.356 9 G C 1.094 175.997 174.900 0.005 0.000 1.312 9 G CA 1.362 46.498 45.100 0.060 0.000 0.980 9 G HN 0.694 nan 8.290 nan 0.000 0.540 10 N N 1.252 119.954 118.700 0.003 0.000 2.025 10 N HA -0.047 4.693 4.740 0.000 0.000 0.194 10 N C 1.838 177.324 175.510 -0.040 0.000 1.044 10 N CA 1.900 54.940 53.050 -0.016 0.000 0.851 10 N CB -0.657 37.824 38.487 -0.009 0.000 1.036 10 N HN 0.617 nan 8.380 nan 0.000 0.422 11 D N 0.160 120.540 120.400 -0.033 0.000 2.191 11 D HA -0.246 4.394 4.640 0.000 0.000 0.190 11 D C 1.739 177.944 176.300 -0.158 0.000 1.007 11 D CA 1.959 55.919 54.000 -0.067 0.000 0.865 11 D CB -0.482 40.295 40.800 -0.038 0.000 0.929 11 D HN 0.384 nan 8.370 nan 0.000 0.447 12 A N 0.403 123.112 122.820 -0.185 0.000 1.832 12 A HA -0.160 4.160 4.320 0.000 0.000 0.214 12 A C 2.153 179.627 177.584 -0.183 0.000 1.200 12 A CA 1.598 53.460 52.037 -0.293 0.000 0.610 12 A CB -0.525 18.321 19.000 -0.256 0.000 0.842 12 A HN 0.089 nan 8.150 nan 0.000 0.444 13 R N -0.594 119.844 120.500 -0.104 0.000 2.097 13 R HA -0.155 4.186 4.340 0.000 0.000 0.236 13 R C 2.071 178.342 176.300 -0.049 0.000 1.135 13 R CA 1.743 57.806 56.100 -0.062 0.000 0.934 13 R CB -0.996 29.282 30.300 -0.036 0.000 0.846 13 R HN 0.372 nan 8.270 nan 0.000 0.431 14 V N 1.861 121.749 119.914 -0.044 0.000 2.250 14 V HA -0.345 3.775 4.120 0.000 0.000 0.253 14 V C 2.414 178.496 176.094 -0.021 0.000 1.065 14 V CA 1.858 64.142 62.300 -0.027 0.000 1.039 14 V CB -0.493 31.316 31.823 -0.023 0.000 0.647 14 V HN 0.289 nan 8.190 nan 0.000 0.446 15 K N -0.734 119.643 120.400 -0.038 0.000 2.009 15 K HA -0.143 4.177 4.320 0.000 0.000 0.210 15 K C 2.147 178.757 176.600 0.016 0.000 1.049 15 K CA 1.785 58.071 56.287 -0.000 0.000 0.929 15 K CB -0.620 31.873 32.500 -0.011 0.000 0.714 15 K HN 0.429 nan 8.250 nan 0.000 0.440 16 M N 0.206 119.801 119.600 -0.009 0.000 2.144 16 M HA -0.224 4.256 4.480 0.000 0.000 0.260 16 M C 2.182 178.486 176.300 0.007 0.000 1.067 16 M CA 1.214 56.517 55.300 0.005 0.000 1.095 16 M CB -0.305 32.286 32.600 -0.014 0.000 1.365 16 M HN 0.054 nan 8.290 nan 0.000 0.406 17 L N 0.390 121.612 121.223 -0.001 0.000 1.988 17 L HA -0.176 4.164 4.340 0.000 0.000 0.207 17 L C 2.354 179.228 176.870 0.007 0.000 1.071 17 L CA 1.906 56.747 54.840 0.002 0.000 0.744 17 L CB -0.649 41.409 42.059 -0.002 0.000 0.893 17 L HN 0.154 nan 8.230 nan 0.000 0.433 18 R N -0.475 120.031 120.500 0.010 0.000 2.097 18 R HA -0.159 4.181 4.340 0.000 0.000 0.236 18 R C 2.196 178.506 176.300 0.017 0.000 1.135 18 R CA 1.423 57.532 56.100 0.014 0.000 0.934 18 R CB -1.422 28.889 30.300 0.019 0.000 0.846 18 R HN 0.590 nan 8.270 nan 0.000 0.431 19 G N 1.026 109.840 108.800 0.024 0.000 2.672 19 G HA2 -0.371 3.589 3.960 0.000 0.000 0.218 19 G HA3 -0.371 3.589 3.960 0.000 0.000 0.218 19 G C 1.445 176.354 174.900 0.015 0.000 1.238 19 G CA 1.372 46.487 45.100 0.025 0.000 0.791 19 G HN 0.304 nan 8.290 nan 0.000 0.606 20 V N 1.334 121.255 119.914 0.012 0.000 2.231 20 V HA -0.336 3.784 4.120 0.000 0.000 0.250 20 V C 2.303 178.400 176.094 0.006 0.000 1.058 20 V CA 3.129 65.433 62.300 0.007 0.000 1.022 20 V CB -1.086 30.740 31.823 0.005 0.000 0.640 20 V HN 0.629 nan 8.190 nan 0.000 0.445 21 N N -0.540 118.163 118.700 0.006 0.000 2.106 21 N HA -0.266 4.474 4.740 0.000 0.000 0.200 21 N C 1.784 177.297 175.510 0.005 0.000 1.014 21 N CA 2.390 55.444 53.050 0.005 0.000 0.891 21 N CB -0.453 38.037 38.487 0.006 0.000 1.069 21 N HN 0.472 nan 8.380 nan 0.000 0.490 22 V N 1.989 121.906 119.914 0.006 0.000 2.231 22 V HA -0.280 3.840 4.120 0.000 0.000 0.250 22 V C 2.302 178.397 176.094 0.002 0.000 1.058 22 V CA 1.659 63.962 62.300 0.004 0.000 1.022 22 V CB -0.821 31.005 31.823 0.005 0.000 0.640 22 V HN 0.424 nan 8.190 nan 0.000 0.445 23 L N 0.218 121.442 121.223 0.002 0.000 1.978 23 L HA -0.282 4.058 4.340 0.000 0.000 0.218 23 L C 2.531 179.401 176.870 -0.001 0.000 1.075 23 L CA 3.111 57.951 54.840 -0.001 0.000 0.767 23 L CB -1.303 40.754 42.059 -0.002 0.000 0.890 23 L HN 0.400 nan 8.230 nan 0.000 0.434 24 A N -0.454 122.366 122.820 0.001 0.000 1.858 24 A HA -0.238 4.082 4.320 0.000 0.000 0.216 24 A C 1.878 179.463 177.584 0.002 0.000 1.190 24 A CA 1.796 53.834 52.037 0.001 0.000 0.617 24 A CB -0.778 18.224 19.000 0.003 0.000 0.827 24 A HN 0.582 nan 8.150 nan 0.000 0.443 25 D N -0.105 120.297 120.400 0.002 0.000 2.218 25 D HA -0.040 4.600 4.640 0.000 0.000 0.204 25 D C 2.017 178.317 176.300 0.001 0.000 0.976 25 D CA 1.355 55.357 54.000 0.002 0.000 0.853 25 D CB -0.171 40.631 40.800 0.003 0.000 0.939 25 D HN 0.469 nan 8.370 nan 0.000 0.481 26 A N 0.174 122.994 122.820 0.001 0.000 1.943 26 A HA 0.004 4.324 4.320 0.000 0.000 0.213 26 A C 2.195 179.778 177.584 -0.001 0.000 1.181 26 A CA 0.475 52.512 52.037 -0.000 0.000 0.653 26 A CB -0.147 18.853 19.000 -0.001 0.000 0.833 26 A HN 0.173 nan 8.150 nan 0.000 0.451 27 V N 0.830 120.743 119.914 -0.002 0.000 3.354 27 V HA -0.061 4.059 4.120 0.000 0.000 0.258 27 V C 2.214 178.307 176.094 -0.002 0.000 1.159 27 V CA 1.771 64.070 62.300 -0.002 0.000 1.125 27 V CB -0.411 31.410 31.823 -0.004 0.000 0.774 27 V HN 0.766 nan 8.190 nan 0.000 0.464 28 K N 0.726 121.126 120.400 -0.000 0.000 2.217 28 K HA -0.059 4.261 4.320 0.000 0.000 0.202 28 K C 1.728 178.329 176.600 0.001 0.000 1.051 28 K CA 1.747 58.035 56.287 0.001 0.000 0.952 28 K CB -0.831 31.670 32.500 0.002 0.000 0.736 28 K HN 0.471 nan 8.250 nan 0.000 0.453 29 V N 0.417 120.331 119.914 0.001 0.000 3.026 29 V HA -0.120 4.000 4.120 0.000 0.000 0.265 29 V C 1.680 177.774 176.094 -0.001 0.000 1.121 29 V CA 1.686 63.986 62.300 0.001 0.000 1.142 29 V CB -1.298 30.526 31.823 0.001 0.000 0.730 29 V HN 0.553 nan 8.190 nan 0.000 0.503 30 T N -3.647 110.906 114.554 -0.002 0.000 3.214 30 T HA 0.320 4.670 4.350 0.000 0.000 0.264 30 T C 1.098 175.795 174.700 -0.005 0.000 1.012 30 T CA 0.216 62.313 62.100 -0.004 0.000 0.901 30 T CB 0.631 69.497 68.868 -0.004 0.000 1.070 30 T HN 0.307 nan 8.240 nan 0.000 0.561 31 L N 2.604 123.825 121.223 -0.004 0.000 2.022 31 L HA 0.465 4.805 4.340 0.000 0.000 0.204 31 L C 1.646 178.510 176.870 -0.010 0.000 1.076 31 L CA 1.417 56.254 54.840 -0.006 0.000 0.749 31 L CB -1.330 40.727 42.059 -0.003 0.000 0.903 31 L HN 0.435 nan 8.230 nan 0.000 0.439 32 G N -0.474 108.320 108.800 -0.009 0.000 2.825 32 G HA2 0.032 3.992 3.960 0.000 0.000 0.241 32 G HA3 0.032 3.992 3.960 0.000 0.000 0.241 32 G C -1.716 173.170 174.900 -0.023 0.000 1.239 32 G CA 0.095 45.185 45.100 -0.017 0.000 0.859 32 G HN 0.423 nan 8.290 nan 0.000 0.598 33 P HA 0.002 nan 4.420 nan 0.000 0.225 33 P C 0.595 177.877 177.300 -0.029 0.000 1.156 33 P CA 1.052 64.130 63.100 -0.037 0.000 0.787 33 P CB 0.385 32.052 31.700 -0.055 0.000 0.802 34 K N 0.757 121.141 120.400 -0.026 0.000 3.095 34 K HA 0.323 4.643 4.320 0.000 0.000 0.220 34 K C 0.841 177.435 176.600 -0.009 0.000 1.216 34 K CA -0.433 55.844 56.287 -0.017 0.000 1.167 34 K CB 0.493 32.984 32.500 -0.015 0.000 1.199 34 K HN 0.031 nan 8.250 nan 0.000 0.458 35 G N 0.916 109.710 108.800 -0.010 0.000 2.539 35 G HA2 0.144 4.104 3.960 0.000 0.000 0.258 35 G HA3 0.144 4.104 3.960 0.000 0.000 0.258 35 G C 0.136 175.034 174.900 -0.004 0.000 1.202 35 G CA -0.566 44.531 45.100 -0.006 0.000 0.851 35 G HN 0.174 nan 8.290 nan 0.000 0.556 36 R N -0.288 120.211 120.500 -0.002 0.000 2.541 36 R HA 0.262 4.602 4.340 0.000 0.000 0.263 36 R C 0.494 176.793 176.300 -0.002 0.000 1.112 36 R CA -0.521 55.578 56.100 -0.001 0.000 1.170 36 R CB 0.332 30.632 30.300 0.000 0.000 1.167 36 R HN 0.861 nan 8.270 nan 0.000 0.582 37 N N -1.193 117.506 118.700 -0.001 0.000 2.362 37 N HA 0.503 5.243 4.740 0.000 0.000 0.299 37 N C -0.957 174.553 175.510 -0.001 0.000 1.170 37 N CA -0.824 52.225 53.050 -0.001 0.000 0.825 37 N CB 1.786 40.272 38.487 -0.001 0.000 1.299 37 N HN 0.041 nan 8.380 nan 0.000 0.502 38 V N 0.771 120.685 119.914 -0.001 0.000 2.769 38 V HA 0.399 4.519 4.120 0.000 0.000 0.312 38 V C -0.153 175.941 176.094 -0.000 0.000 1.058 38 V CA -0.821 61.479 62.300 -0.001 0.000 0.952 38 V CB 1.979 33.801 31.823 -0.001 0.000 1.019 38 V HN 0.487 nan 8.190 nan 0.000 0.445 39 V N 4.643 124.557 119.914 -0.000 0.000 2.357 39 V HA 0.397 4.517 4.120 0.000 0.000 0.284 39 V C -0.632 175.462 176.094 0.001 0.000 1.018 39 V CA -0.522 61.778 62.300 0.001 0.000 0.841 39 V CB 1.480 33.303 31.823 0.000 0.000 0.991 39 V HN 0.493 nan 8.190 nan 0.000 0.437 40 L N 3.863 125.087 121.223 0.002 0.000 2.264 40 L HA 0.427 4.767 4.340 0.000 0.000 0.287 40 L C 0.077 176.950 176.870 0.006 0.000 1.039 40 L CA -0.228 54.614 54.840 0.003 0.000 0.829 40 L CB 0.823 42.884 42.059 0.004 0.000 1.211 40 L HN 0.642 nan 8.230 nan 0.000 0.427 41 D N 3.379 123.780 120.400 0.002 0.000 2.450 41 D HA 0.047 4.687 4.640 0.000 0.000 0.247 41 D C 0.034 176.339 176.300 0.008 0.000 1.162 41 D CA 0.555 54.556 54.000 0.001 0.000 0.879 41 D CB 0.860 41.655 40.800 -0.008 0.000 1.163 41 D HN 0.307 nan 8.370 nan 0.000 0.472 42 K N 2.074 122.485 120.400 0.019 0.000 2.130 42 K HA 0.227 4.547 4.320 0.000 0.000 0.268 42 K C 1.057 177.674 176.600 0.028 0.000 0.983 42 K CA -0.594 55.720 56.287 0.046 0.000 0.893 42 K CB 1.328 33.870 32.500 0.071 0.000 1.066 42 K HN 0.375 nan 8.250 nan 0.000 0.450 43 S N 2.081 117.802 115.700 0.035 0.000 2.353 43 S HA -0.087 4.383 4.470 0.000 0.000 0.222 43 S C 0.298 174.756 174.600 -0.238 0.000 1.035 43 S CA 1.241 59.354 58.200 -0.145 0.000 1.025 43 S CB -0.142 62.921 63.200 -0.228 0.000 0.902 43 S HN 0.393 nan 8.310 nan 0.000 0.440 44 F N 1.508 121.454 119.950 -0.006 0.000 2.404 44 F HA 0.618 5.145 4.527 0.000 0.000 0.354 44 F C 1.107 176.904 175.800 -0.004 0.000 1.122 44 F CA -0.110 57.887 58.000 -0.005 0.000 1.080 44 F CB 0.610 39.607 39.000 -0.004 0.000 1.131 44 F HN 0.409 nan 8.300 nan 0.000 0.471 45 G N 1.400 110.284 108.800 0.138 0.000 2.568 45 G HA2 0.149 4.109 3.960 0.000 0.000 0.222 45 G HA3 0.149 4.109 3.960 0.000 0.000 0.222 45 G C -0.497 174.433 174.900 0.049 0.000 1.321 45 G CA -0.672 44.480 45.100 0.086 0.000 0.893 45 G HN 1.088 nan 8.290 nan 0.000 0.569 46 A N 2.015 124.859 122.820 0.040 0.000 2.462 46 A HA 0.663 4.983 4.320 0.000 0.000 0.243 46 A C -0.584 177.015 177.584 0.025 0.000 1.076 46 A CA 0.207 52.260 52.037 0.026 0.000 0.773 46 A CB -0.211 18.801 19.000 0.021 0.000 1.010 46 A HN 0.919 nan 8.150 nan 0.000 0.493 47 P HA 0.162 nan 4.420 nan 0.000 0.271 47 P C -0.408 176.900 177.300 0.014 0.000 1.244 47 P CA 0.085 63.193 63.100 0.013 0.000 0.793 47 P CB 0.394 32.097 31.700 0.006 0.000 0.984 48 T N 1.187 115.749 114.554 0.012 0.000 2.792 48 T HA 0.512 4.862 4.350 0.000 0.000 0.280 48 T C 0.283 174.987 174.700 0.006 0.000 0.990 48 T CA -0.345 61.761 62.100 0.010 0.000 0.960 48 T CB 0.314 69.189 68.868 0.011 0.000 0.939 48 T HN 0.195 nan 8.240 nan 0.000 0.439 49 I N 2.554 123.127 120.570 0.005 0.000 2.437 49 I HA 0.657 4.827 4.170 0.000 0.000 0.298 49 I C 0.543 176.661 176.117 0.002 0.000 0.984 49 I CA -0.426 60.876 61.300 0.003 0.000 1.214 49 I CB 1.854 39.855 38.000 0.002 0.000 1.365 49 I HN 0.541 nan 8.210 nan 0.000 0.469 50 T N 3.843 118.397 114.554 0.001 0.000 2.775 50 T HA 0.326 4.676 4.350 0.000 0.000 0.320 50 T C -0.603 174.096 174.700 -0.001 0.000 1.597 50 T CA -0.673 61.426 62.100 -0.000 0.000 1.022 50 T CB 1.505 70.373 68.868 0.000 0.000 1.485 50 T HN 0.701 nan 8.240 nan 0.000 0.494 51 K N 1.075 121.473 120.400 -0.002 0.000 2.506 51 K HA 0.220 4.540 4.320 0.000 0.000 0.204 51 K C -0.781 175.817 176.600 -0.004 0.000 1.045 51 K CA -0.324 55.961 56.287 -0.004 0.000 1.074 51 K CB 0.563 33.061 32.500 -0.005 0.000 0.842 51 K HN 0.435 nan 8.250 nan 0.000 0.514 52 D N 0.440 120.838 120.400 -0.004 0.000 2.411 52 D HA 0.114 4.754 4.640 0.000 0.000 0.225 52 D C 1.243 177.540 176.300 -0.005 0.000 1.156 52 D CA -0.173 53.824 54.000 -0.005 0.000 0.874 52 D CB 1.120 41.918 40.800 -0.004 0.000 1.034 52 D HN 0.196 nan 8.370 nan 0.000 0.502 53 G N 2.531 111.327 108.800 -0.006 0.000 2.513 53 G HA2 -0.281 3.679 3.960 0.000 0.000 0.219 53 G HA3 -0.281 3.679 3.960 0.000 0.000 0.219 53 G C 1.598 176.493 174.900 -0.008 0.000 1.160 53 G CA 0.920 46.016 45.100 -0.007 0.000 0.767 53 G HN 0.485 nan 8.290 nan 0.000 0.571 54 V N 0.921 120.829 119.914 -0.010 0.000 2.282 54 V HA -0.249 3.871 4.120 0.000 0.000 0.249 54 V C 3.150 179.238 176.094 -0.010 0.000 1.057 54 V CA 2.448 64.741 62.300 -0.012 0.000 1.032 54 V CB -0.718 31.096 31.823 -0.013 0.000 0.645 54 V HN 0.406 nan 8.190 nan 0.000 0.447 55 S N -0.577 115.119 115.700 -0.007 0.000 2.343 55 S HA -0.176 4.294 4.470 0.000 0.000 0.219 55 S C 1.972 176.568 174.600 -0.006 0.000 1.033 55 S CA 1.557 59.754 58.200 -0.005 0.000 1.014 55 S CB -0.314 62.884 63.200 -0.003 0.000 0.915 55 S HN 0.343 nan 8.310 nan 0.000 0.435 56 V N 2.400 122.311 119.914 -0.005 0.000 2.215 56 V HA -0.340 3.780 4.120 0.000 0.000 0.249 56 V C 2.684 178.774 176.094 -0.007 0.000 1.054 56 V CA 2.088 64.385 62.300 -0.005 0.000 1.012 56 V CB -1.446 30.374 31.823 -0.004 0.000 0.639 56 V HN 0.573 nan 8.190 nan 0.000 0.448 57 A N -0.090 122.725 122.820 -0.008 0.000 1.909 57 A HA -0.411 3.909 4.320 0.000 0.000 0.221 57 A C 2.349 179.926 177.584 -0.012 0.000 1.223 57 A CA 3.059 55.090 52.037 -0.010 0.000 0.658 57 A CB -0.877 18.115 19.000 -0.013 0.000 0.831 57 A HN 0.580 nan 8.150 nan 0.000 0.462 58 R N -0.671 119.821 120.500 -0.012 0.000 2.140 58 R HA -0.259 4.081 4.340 0.000 0.000 0.250 58 R C 1.906 178.199 176.300 -0.012 0.000 1.150 58 R CA 2.220 58.312 56.100 -0.013 0.000 0.966 58 R CB -0.286 30.007 30.300 -0.011 0.000 0.869 58 R HN 0.514 nan 8.270 nan 0.000 0.445 59 E N -0.039 120.156 120.200 -0.009 0.000 2.358 59 E HA 0.037 4.387 4.350 0.000 0.000 0.195 59 E C -0.070 176.525 176.600 -0.008 0.000 1.010 59 E CA 0.183 56.579 56.400 -0.007 0.000 0.856 59 E CB 0.138 29.836 29.700 -0.004 0.000 0.795 59 E HN 0.234 nan 8.360 nan 0.000 0.504 60 I N 2.050 122.615 120.570 -0.008 0.000 2.587 60 I HA 0.079 4.249 4.170 0.000 0.000 0.284 60 I C 0.213 176.325 176.117 -0.009 0.000 1.134 60 I CA 0.610 61.905 61.300 -0.008 0.000 1.410 60 I CB -0.051 37.945 38.000 -0.007 0.000 1.392 60 I HN 0.089 nan 8.210 nan 0.000 0.545 61 E N 7.517 127.712 120.200 -0.008 0.000 2.428 61 E HA 0.318 4.668 4.350 0.000 0.000 0.307 61 E C -1.709 174.886 176.600 -0.008 0.000 0.902 61 E CA -0.528 55.867 56.400 -0.009 0.000 0.799 61 E CB 1.192 30.885 29.700 -0.012 0.000 1.351 61 E HN 0.462 nan 8.360 nan 0.000 0.392 62 L N 3.475 124.695 121.223 -0.005 0.000 2.418 62 L HA 0.322 4.662 4.340 0.000 0.000 0.265 62 L C 1.692 178.556 176.870 -0.010 0.000 1.143 62 L CA -0.253 54.585 54.840 -0.003 0.000 0.809 62 L CB 0.904 42.967 42.059 0.006 0.000 1.124 62 L HN 0.726 nan 8.230 nan 0.000 0.456 63 E N 0.864 121.059 120.200 -0.009 0.000 2.072 63 E HA -0.171 4.179 4.350 0.000 0.000 0.190 63 E C 0.531 177.117 176.600 -0.023 0.000 0.982 63 E CA 0.462 56.852 56.400 -0.017 0.000 0.803 63 E CB 0.257 29.949 29.700 -0.013 0.000 0.755 63 E HN 0.678 nan 8.360 nan 0.000 0.453 64 D N 1.450 121.847 120.400 -0.006 0.000 2.346 64 D HA -0.012 4.628 4.640 0.000 0.000 0.260 64 D C -0.549 175.743 176.300 -0.012 0.000 1.252 64 D CA 0.168 54.169 54.000 0.002 0.000 0.895 64 D CB 0.599 41.427 40.800 0.046 0.000 1.097 64 D HN 0.062 nan 8.370 nan 0.000 0.489 65 K N 2.711 123.050 120.400 -0.102 0.000 2.156 65 K HA 0.092 4.412 4.320 0.000 0.000 0.242 65 K C 0.605 177.171 176.600 -0.057 0.000 1.033 65 K CA -0.503 55.683 56.287 -0.168 0.000 0.878 65 K CB 0.652 32.940 32.500 -0.354 0.000 1.057 65 K HN 0.368 nan 8.250 nan 0.000 0.505 66 F N -1.072 118.866 119.950 -0.020 0.000 2.529 66 F HA -0.373 4.154 4.527 0.000 0.000 0.744 66 F C 1.791 177.581 175.800 -0.018 0.000 0.485 66 F CA 1.848 59.834 58.000 -0.022 0.000 0.764 66 F CB -1.394 37.595 39.000 -0.018 0.000 1.616 66 F HN 0.726 nan 8.300 nan 0.000 0.276 67 E N 0.166 120.502 120.200 0.227 0.000 2.085 67 E HA -0.263 4.087 4.350 0.000 0.000 0.194 67 E C 1.606 178.248 176.600 0.070 0.000 0.994 67 E CA 1.600 58.065 56.400 0.109 0.000 0.801 67 E CB -0.391 29.357 29.700 0.081 0.000 0.743 67 E HN 0.543 nan 8.360 nan 0.000 0.453 68 N N 0.487 119.220 118.700 0.055 0.000 2.120 68 N HA -0.167 4.573 4.740 0.000 0.000 0.188 68 N C 1.792 177.318 175.510 0.027 0.000 1.024 68 N CA 1.386 54.450 53.050 0.023 0.000 0.852 68 N CB 0.017 38.502 38.487 -0.002 0.000 1.003 68 N HN 0.082 nan 8.380 nan 0.000 0.424 69 M N -0.514 119.115 119.600 0.049 0.000 2.065 69 M HA -0.066 4.414 4.480 0.000 0.000 0.259 69 M C 2.355 178.675 176.300 0.034 0.000 1.071 69 M CA 1.807 57.134 55.300 0.046 0.000 1.109 69 M CB -1.099 31.553 32.600 0.087 0.000 1.313 69 M HN 0.308 nan 8.290 nan 0.000 0.408 70 G N 0.267 109.094 108.800 0.045 0.000 2.547 70 G HA2 -0.263 3.697 3.960 0.000 0.000 0.221 70 G HA3 -0.263 3.697 3.960 0.000 0.000 0.221 70 G C 1.591 176.498 174.900 0.012 0.000 1.140 70 G CA 1.647 46.762 45.100 0.025 0.000 0.760 70 G HN 0.580 nan 8.290 nan 0.000 0.583 71 A N -0.114 122.714 122.820 0.013 0.000 1.825 71 A HA -0.056 4.264 4.320 0.000 0.000 0.214 71 A C 2.386 179.967 177.584 -0.005 0.000 1.206 71 A CA 2.097 54.136 52.037 0.003 0.000 0.609 71 A CB -0.657 18.345 19.000 0.004 0.000 0.851 71 A HN 0.287 nan 8.150 nan 0.000 0.445 72 Q N -0.395 119.402 119.800 -0.005 0.000 2.197 72 Q HA -0.263 4.077 4.340 0.000 0.000 0.211 72 Q C 2.117 178.105 176.000 -0.020 0.000 0.993 72 Q CA 2.039 57.834 55.803 -0.013 0.000 0.883 72 Q CB -0.729 28.002 28.738 -0.010 0.000 0.916 72 Q HN 0.794 nan 8.270 nan 0.000 0.418 73 M N -0.565 119.027 119.600 -0.014 0.000 2.117 73 M HA -0.159 4.321 4.480 0.000 0.000 0.262 73 M C 2.270 178.550 176.300 -0.033 0.000 1.065 73 M CA 1.227 56.515 55.300 -0.020 0.000 1.114 73 M CB -0.332 32.263 32.600 -0.008 0.000 1.361 73 M HN 0.003 nan 8.290 nan 0.000 0.408 74 V N 0.441 120.339 119.914 -0.026 0.000 2.239 74 V HA -0.249 3.871 4.120 0.000 0.000 0.242 74 V C 2.162 178.226 176.094 -0.050 0.000 1.038 74 V CA 1.775 64.056 62.300 -0.032 0.000 1.002 74 V CB -0.794 31.018 31.823 -0.017 0.000 0.641 74 V HN 0.406 nan 8.190 nan 0.000 0.449 75 K N -0.063 120.314 120.400 -0.039 0.000 2.117 75 K HA -0.353 3.967 4.320 0.000 0.000 0.215 75 K C 2.196 178.757 176.600 -0.067 0.000 1.053 75 K CA 2.454 58.714 56.287 -0.044 0.000 0.935 75 K CB -0.364 32.117 32.500 -0.032 0.000 0.719 75 K HN 0.597 nan 8.250 nan 0.000 0.460 76 E N 0.660 120.818 120.200 -0.070 0.000 2.033 76 E HA -0.216 4.134 4.350 0.000 0.000 0.199 76 E C 2.049 178.552 176.600 -0.162 0.000 1.011 76 E CA 1.652 57.997 56.400 -0.092 0.000 0.815 76 E CB -0.068 29.586 29.700 -0.076 0.000 0.755 76 E HN 0.179 nan 8.360 nan 0.000 0.451 77 V N 0.612 120.409 119.914 -0.196 0.000 2.515 77 V HA -0.133 3.987 4.120 0.000 0.000 0.250 77 V C 2.203 178.059 176.094 -0.396 0.000 1.058 77 V CA 1.936 64.009 62.300 -0.378 0.000 1.064 77 V CB -0.325 31.316 31.823 -0.303 0.000 0.675 77 V HN 0.452 nan 8.190 nan 0.000 0.461 78 A N -0.950 121.759 122.820 -0.185 0.000 2.019 78 A HA -0.178 4.142 4.320 0.000 0.000 0.219 78 A C 2.502 180.025 177.584 -0.100 0.000 1.164 78 A CA 2.114 54.090 52.037 -0.102 0.000 0.644 78 A CB -0.724 18.247 19.000 -0.049 0.000 0.805 78 A HN 0.604 nan 8.150 nan 0.000 0.449 79 S N -0.390 115.234 115.700 -0.125 0.000 2.348 79 S HA -0.132 4.338 4.470 0.000 0.000 0.219 79 S C 2.002 176.538 174.600 -0.105 0.000 1.033 79 S CA 1.410 59.556 58.200 -0.090 0.000 0.974 79 S CB -0.315 62.840 63.200 -0.076 0.000 0.868 79 S HN 0.582 nan 8.310 nan 0.000 0.459 80 K N 1.167 121.445 120.400 -0.204 0.000 2.144 80 K HA -0.188 4.132 4.320 0.000 0.000 0.209 80 K C 2.284 178.883 176.600 -0.002 0.000 1.047 80 K CA 1.294 57.461 56.287 -0.201 0.000 0.927 80 K CB -0.532 31.666 32.500 -0.504 0.000 0.716 80 K HN 0.468 nan 8.250 nan 0.000 0.454 81 A N 2.415 125.220 122.820 -0.026 0.000 1.842 81 A HA -0.290 4.030 4.320 0.000 0.000 0.217 81 A C 2.076 179.748 177.584 0.148 0.000 1.206 81 A CA 2.016 54.253 52.037 0.333 0.000 0.630 81 A CB -0.969 18.190 19.000 0.266 0.000 0.839 81 A HN 0.390 nan 8.150 nan 0.000 0.447 82 N N 0.217 118.942 118.700 0.043 0.000 2.094 82 N HA -0.226 4.514 4.740 0.000 0.000 0.191 82 N C 1.190 176.687 175.510 -0.022 0.000 1.023 82 N CA 2.097 55.137 53.050 -0.016 0.000 0.857 82 N CB -0.548 37.911 38.487 -0.046 0.000 1.013 82 N HN 0.408 nan 8.380 nan 0.000 0.426 83 D N 0.257 120.661 120.400 0.005 0.000 2.149 83 D HA -0.117 4.523 4.640 0.000 0.000 0.194 83 D C 0.738 177.067 176.300 0.049 0.000 1.001 83 D CA 1.486 55.497 54.000 0.020 0.000 0.849 83 D CB -0.301 40.513 40.800 0.024 0.000 0.939 83 D HN 0.447 nan 8.370 nan 0.000 0.449 84 A N -1.359 121.515 122.820 0.090 0.000 2.842 84 A HA 0.678 4.998 4.320 0.000 0.000 0.298 84 A C 0.908 178.527 177.584 0.057 0.000 1.293 84 A CA 0.531 52.620 52.037 0.087 0.000 0.959 84 A CB 0.343 19.415 19.000 0.120 0.000 1.119 84 A HN 0.132 nan 8.150 nan 0.000 0.564 85 A N -2.589 120.248 122.820 0.028 0.000 2.558 85 A HA 0.447 4.767 4.320 0.000 0.000 0.153 85 A C 1.496 179.056 177.584 -0.040 0.000 1.751 85 A CA 0.831 52.875 52.037 0.011 0.000 1.222 85 A CB -0.658 18.352 19.000 0.017 0.000 1.413 85 A HN 1.983 nan 8.150 nan 0.000 0.398 86 G N -0.828 107.884 108.800 -0.146 0.000 2.176 86 G HA2 -0.106 3.854 3.960 0.000 0.000 0.253 86 G HA3 -0.106 3.854 3.960 0.000 0.000 0.253 86 G C -0.154 174.615 174.900 -0.218 0.000 0.979 86 G CA 0.932 45.809 45.100 -0.370 0.000 0.641 86 G HN 1.151 nan 8.290 nan 0.000 0.530 87 D N -3.179 117.159 120.400 -0.104 0.000 2.871 87 D HA 0.478 5.118 4.640 0.000 0.000 0.330 87 D C 1.071 177.358 176.300 -0.022 0.000 1.364 87 D CA 1.198 55.163 54.000 -0.059 0.000 0.759 87 D CB 0.345 41.120 40.800 -0.041 0.000 1.325 87 D HN 1.365 nan 8.370 nan 0.000 0.452 88 G N -0.510 108.284 108.800 -0.010 0.000 2.258 88 G HA2 -0.346 3.614 3.960 0.000 0.000 0.233 88 G HA3 -0.346 3.614 3.960 0.000 0.000 0.233 88 G C 1.176 176.083 174.900 0.011 0.000 1.006 88 G CA 1.317 46.422 45.100 0.008 0.000 0.620 88 G HN 0.624 nan 8.290 nan 0.000 0.511 89 T N 1.254 115.809 114.554 0.001 0.000 2.616 89 T HA -0.315 4.035 4.350 0.000 0.000 0.261 89 T C 2.357 177.055 174.700 -0.003 0.000 1.105 89 T CA 3.122 65.219 62.100 -0.006 0.000 1.159 89 T CB -1.081 67.775 68.868 -0.020 0.000 0.856 89 T HN 0.639 nan 8.240 nan 0.000 0.449 90 T N 1.713 116.264 114.554 -0.005 0.000 2.639 90 T HA -0.122 4.228 4.350 0.000 0.000 0.261 90 T C 2.331 177.033 174.700 0.004 0.000 1.053 90 T CA 1.828 63.926 62.100 -0.003 0.000 1.158 90 T CB -1.060 67.805 68.868 -0.004 0.000 0.863 90 T HN 0.473 nan 8.240 nan 0.000 0.413 91 T N 2.443 117.001 114.554 0.006 0.000 2.620 91 T HA -0.251 4.099 4.350 0.000 0.000 0.267 91 T C 2.317 177.028 174.700 0.019 0.000 1.044 91 T CA 1.687 63.794 62.100 0.011 0.000 1.161 91 T CB -0.915 67.960 68.868 0.012 0.000 0.862 91 T HN 0.474 nan 8.240 nan 0.000 0.438 92 A N 1.316 124.153 122.820 0.028 0.000 1.869 92 A HA -0.253 4.067 4.320 0.000 0.000 0.218 92 A C 2.586 180.187 177.584 0.028 0.000 1.203 92 A CA 2.755 54.818 52.037 0.044 0.000 0.638 92 A CB -1.603 17.433 19.000 0.061 0.000 0.831 92 A HN 0.532 nan 8.150 nan 0.000 0.450 93 T N -0.168 114.395 114.554 0.014 0.000 2.635 93 T HA -0.189 4.161 4.350 0.000 0.000 0.267 93 T C 1.891 176.596 174.700 0.009 0.000 1.040 93 T CA 1.964 64.067 62.100 0.006 0.000 1.156 93 T CB -0.762 68.106 68.868 -0.001 0.000 0.863 93 T HN 0.213 nan 8.240 nan 0.000 0.430 94 V N 1.550 121.469 119.914 0.009 0.000 2.282 94 V HA -0.209 3.911 4.120 0.000 0.000 0.249 94 V C 2.509 178.611 176.094 0.012 0.000 1.057 94 V CA 1.764 64.070 62.300 0.009 0.000 1.032 94 V CB -0.868 30.960 31.823 0.008 0.000 0.645 94 V HN 0.413 nan 8.190 nan 0.000 0.447 95 L N -0.035 121.198 121.223 0.016 0.000 1.994 95 L HA -0.148 4.192 4.340 0.000 0.000 0.208 95 L C 2.820 179.701 176.870 0.019 0.000 1.071 95 L CA 1.581 56.432 54.840 0.019 0.000 0.745 95 L CB -0.998 41.075 42.059 0.024 0.000 0.892 95 L HN 0.343 nan 8.230 nan 0.000 0.431 96 A N -0.261 122.572 122.820 0.022 0.000 1.894 96 A HA -0.401 3.919 4.320 0.000 0.000 0.220 96 A C 2.276 179.868 177.584 0.014 0.000 1.237 96 A CA 2.645 54.694 52.037 0.020 0.000 0.660 96 A CB -0.955 18.054 19.000 0.015 0.000 0.835 96 A HN 0.568 nan 8.150 nan 0.000 0.461 97 Q N -0.877 118.929 119.800 0.010 0.000 2.002 97 Q HA -0.151 4.189 4.340 0.000 0.000 0.204 97 Q C 2.295 178.300 176.000 0.009 0.000 0.988 97 Q CA 2.018 57.826 55.803 0.008 0.000 0.843 97 Q CB -0.467 28.274 28.738 0.007 0.000 0.908 97 Q HN 0.629 nan 8.270 nan 0.000 0.420 98 A N 1.145 123.971 122.820 0.010 0.000 1.893 98 A HA -0.297 4.023 4.320 0.000 0.000 0.222 98 A C 2.022 179.611 177.584 0.009 0.000 1.309 98 A CA 2.292 54.334 52.037 0.010 0.000 0.681 98 A CB -1.221 17.786 19.000 0.011 0.000 0.842 98 A HN 0.547 nan 8.150 nan 0.000 0.468 99 I N -0.518 120.059 120.570 0.011 0.000 2.072 99 I HA -0.269 3.901 4.170 0.000 0.000 0.235 99 I C 2.405 178.527 176.117 0.009 0.000 1.058 99 I CA 1.721 63.028 61.300 0.011 0.000 1.320 99 I CB -0.582 37.426 38.000 0.014 0.000 1.047 99 I HN 0.371 nan 8.210 nan 0.000 0.397 100 I N 0.679 121.255 120.570 0.009 0.000 2.121 100 I HA -0.412 3.758 4.170 0.000 0.000 0.243 100 I C 2.601 178.721 176.117 0.005 0.000 1.047 100 I CA 2.126 63.430 61.300 0.007 0.000 1.308 100 I CB -1.165 36.839 38.000 0.006 0.000 1.015 100 I HN 0.382 nan 8.210 nan 0.000 0.410 101 T N 0.359 114.916 114.554 0.005 0.000 2.570 101 T HA -0.221 4.129 4.350 0.000 0.000 0.266 101 T C 1.802 176.504 174.700 0.004 0.000 1.071 101 T CA 1.715 63.818 62.100 0.004 0.000 1.172 101 T CB -0.326 68.545 68.868 0.005 0.000 0.864 101 T HN 0.345 nan 8.240 nan 0.000 0.421 102 E N 0.820 121.023 120.200 0.004 0.000 2.007 102 E HA -0.066 4.284 4.350 0.000 0.000 0.194 102 E C 2.689 179.291 176.600 0.004 0.000 0.999 102 E CA 1.425 57.828 56.400 0.004 0.000 0.811 102 E CB -1.165 28.538 29.700 0.005 0.000 0.762 102 E HN 0.569 nan 8.360 nan 0.000 0.450 103 G N 1.078 109.881 108.800 0.004 0.000 2.485 103 G HA2 -0.244 3.716 3.960 0.000 0.000 0.221 103 G HA3 -0.244 3.716 3.960 0.000 0.000 0.221 103 G C 1.511 176.413 174.900 0.003 0.000 1.115 103 G CA 0.631 45.734 45.100 0.004 0.000 0.751 103 G HN 0.147 nan 8.290 nan 0.000 0.567 104 L N -0.154 121.070 121.223 0.002 0.000 2.341 104 L HA 0.253 4.593 4.340 0.000 0.000 0.214 104 L C 2.591 179.461 176.870 -0.001 0.000 1.115 104 L CA 1.140 55.980 54.840 -0.000 0.000 0.820 104 L CB -0.166 41.892 42.059 -0.002 0.000 0.944 104 L HN 0.166 nan 8.230 nan 0.000 0.452 105 K N -1.048 119.352 120.400 0.000 0.000 2.044 105 K HA 0.004 4.324 4.320 0.000 0.000 0.204 105 K C 2.135 178.735 176.600 0.001 0.000 1.049 105 K CA 1.066 57.353 56.287 0.000 0.000 0.945 105 K CB -0.308 32.193 32.500 0.001 0.000 0.724 105 K HN 0.273 nan 8.250 nan 0.000 0.440 106 A N 1.874 124.695 122.820 0.001 0.000 1.869 106 A HA -0.222 4.098 4.320 0.000 0.000 0.218 106 A C 2.490 180.075 177.584 0.001 0.000 1.203 106 A CA 2.582 54.620 52.037 0.002 0.000 0.638 106 A CB -1.390 17.611 19.000 0.002 0.000 0.831 106 A HN 0.203 nan 8.150 nan 0.000 0.450 107 V N -1.999 117.916 119.914 0.001 0.000 2.250 107 V HA -0.240 3.880 4.120 0.000 0.000 0.250 107 V C 2.567 178.662 176.094 0.001 0.000 1.060 107 V CA 2.426 64.727 62.300 0.001 0.000 1.030 107 V CB -1.780 30.043 31.823 0.001 0.000 0.643 107 V HN 0.703 nan 8.190 nan 0.000 0.445 108 A N 0.217 123.037 122.820 -0.000 0.000 2.121 108 A HA 0.332 4.652 4.320 0.000 0.000 0.218 108 A C 2.308 179.891 177.584 -0.001 0.000 1.154 108 A CA 1.676 53.712 52.037 -0.001 0.000 0.679 108 A CB -0.756 18.242 19.000 -0.002 0.000 0.795 108 A HN 1.046 nan 8.150 nan 0.000 0.458 109 A N -2.113 120.707 122.820 -0.000 0.000 2.123 109 A HA 0.420 4.740 4.320 0.000 0.000 0.214 109 A C 1.777 179.361 177.584 -0.000 0.000 1.152 109 A CA 1.464 53.501 52.037 -0.000 0.000 0.728 109 A CB -0.357 18.644 19.000 0.000 0.000 0.814 109 A HN 1.619 nan 8.150 nan 0.000 0.464 110 G N -2.223 106.577 108.800 0.000 0.000 2.421 110 G HA2 -0.150 3.810 3.960 0.000 0.000 0.188 110 G HA3 -0.150 3.810 3.960 0.000 0.000 0.188 110 G C 0.263 175.163 174.900 0.001 0.000 1.001 110 G CA -0.011 45.089 45.100 0.000 0.000 0.693 110 G HN 0.275 nan 8.290 nan 0.000 0.479 111 M N 1.381 120.981 119.600 0.001 0.000 2.232 111 M HA 0.231 4.711 4.480 0.000 0.000 0.321 111 M C 0.755 177.057 176.300 0.002 0.000 1.101 111 M CA -0.219 55.082 55.300 0.002 0.000 1.181 111 M CB 0.277 32.878 32.600 0.002 0.000 1.432 111 M HN 0.247 nan 8.290 nan 0.000 0.457 112 N N 2.342 121.044 118.700 0.003 0.000 2.452 112 N HA 0.098 4.838 4.740 0.000 0.000 0.266 112 N C -2.249 173.263 175.510 0.004 0.000 1.175 112 N CA -1.370 51.682 53.050 0.003 0.000 0.945 112 N CB 1.139 39.628 38.487 0.003 0.000 1.063 112 N HN 0.255 nan 8.380 nan 0.000 0.472 113 P HA -0.081 nan 4.420 nan 0.000 0.215 113 P C 1.535 178.838 177.300 0.005 0.000 1.157 113 P CA 1.035 64.138 63.100 0.005 0.000 0.863 113 P CB 0.176 31.879 31.700 0.005 0.000 0.787 114 M N -0.277 119.327 119.600 0.006 0.000 2.089 114 M HA -0.198 4.282 4.480 0.000 0.000 0.257 114 M C 1.424 177.728 176.300 0.005 0.000 1.071 114 M CA 1.839 57.143 55.300 0.006 0.000 1.096 114 M CB -1.287 31.317 32.600 0.006 0.000 1.330 114 M HN -0.128 nan 8.290 nan 0.000 0.403 115 D N -0.627 119.776 120.400 0.005 0.000 2.084 115 D HA -0.108 4.532 4.640 0.000 0.000 0.196 115 D C 2.145 178.447 176.300 0.005 0.000 0.985 115 D CA 1.309 55.312 54.000 0.004 0.000 0.826 115 D CB -0.460 40.342 40.800 0.004 0.000 0.978 115 D HN 0.341 nan 8.370 nan 0.000 0.456 116 L N 1.053 122.279 121.223 0.005 0.000 2.010 116 L HA -0.283 4.057 4.340 0.000 0.000 0.219 116 L C 2.630 179.504 176.870 0.006 0.000 1.077 116 L CA 1.650 56.493 54.840 0.005 0.000 0.773 116 L CB -0.617 41.445 42.059 0.005 0.000 0.892 116 L HN 0.058 nan 8.230 nan 0.000 0.436 117 K N 0.349 120.753 120.400 0.007 0.000 2.001 117 K HA -0.283 4.037 4.320 0.000 0.000 0.214 117 K C 2.302 178.906 176.600 0.007 0.000 1.050 117 K CA 1.941 58.233 56.287 0.008 0.000 0.934 117 K CB -0.172 32.333 32.500 0.008 0.000 0.718 117 K HN 0.098 nan 8.250 nan 0.000 0.443 118 R N -0.192 120.312 120.500 0.006 0.000 2.122 118 R HA -0.184 4.156 4.340 0.000 0.000 0.236 118 R C 2.386 178.689 176.300 0.005 0.000 1.129 118 R CA 2.242 58.346 56.100 0.005 0.000 0.925 118 R CB -1.052 29.251 30.300 0.005 0.000 0.850 118 R HN 0.486 nan 8.270 nan 0.000 0.431 119 G N 0.847 109.650 108.800 0.005 0.000 2.547 119 G HA2 -0.307 3.653 3.960 0.000 0.000 0.221 119 G HA3 -0.307 3.653 3.960 0.000 0.000 0.221 119 G C 1.480 176.383 174.900 0.005 0.000 1.140 119 G CA 1.431 46.534 45.100 0.005 0.000 0.760 119 G HN 0.355 nan 8.290 nan 0.000 0.583 120 I N 0.856 121.429 120.570 0.006 0.000 2.072 120 I HA -0.152 4.018 4.170 0.000 0.000 0.235 120 I C 2.459 178.579 176.117 0.006 0.000 1.058 120 I CA 1.478 62.782 61.300 0.007 0.000 1.320 120 I CB -0.414 37.591 38.000 0.009 0.000 1.047 120 I HN 0.095 nan 8.210 nan 0.000 0.397 121 D N 1.009 121.413 120.400 0.007 0.000 2.200 121 D HA -0.294 4.346 4.640 0.000 0.000 0.192 121 D C 1.950 178.251 176.300 0.002 0.000 1.008 121 D CA 1.642 55.645 54.000 0.005 0.000 0.872 121 D CB -0.357 40.446 40.800 0.005 0.000 0.923 121 D HN 0.379 nan 8.370 nan 0.000 0.447 122 K N 0.805 121.206 120.400 0.003 0.000 1.978 122 K HA -0.152 4.168 4.320 0.000 0.000 0.214 122 K C 2.231 178.832 176.600 0.002 0.000 1.049 122 K CA 1.508 57.796 56.287 0.002 0.000 0.939 122 K CB -0.208 32.294 32.500 0.003 0.000 0.721 122 K HN 0.028 nan 8.250 nan 0.000 0.441 123 A N 0.808 123.630 122.820 0.003 0.000 1.915 123 A HA -0.219 4.101 4.320 0.000 0.000 0.220 123 A C 2.296 179.882 177.584 0.003 0.000 1.198 123 A CA 2.358 54.398 52.037 0.004 0.000 0.647 123 A CB -1.088 17.915 19.000 0.005 0.000 0.825 123 A HN 0.239 nan 8.150 nan 0.000 0.456 124 V N -0.478 119.437 119.914 0.002 0.000 2.220 124 V HA -0.289 3.831 4.120 0.000 0.000 0.246 124 V C 2.678 178.769 176.094 -0.005 0.000 1.049 124 V CA 2.618 64.917 62.300 -0.001 0.000 1.003 124 V CB -1.632 30.190 31.823 -0.002 0.000 0.634 124 V HN 0.648 nan 8.190 nan 0.000 0.444 125 T N 0.657 115.208 114.554 -0.005 0.000 2.594 125 T HA -0.365 3.985 4.350 0.000 0.000 0.266 125 T C 2.002 176.699 174.700 -0.005 0.000 1.070 125 T CA 2.447 64.543 62.100 -0.007 0.000 1.166 125 T CB -0.732 68.133 68.868 -0.005 0.000 0.862 125 T HN 0.628 nan 8.240 nan 0.000 0.436 126 A N 1.567 124.386 122.820 -0.002 0.000 1.851 126 A HA 0.065 4.385 4.320 0.000 0.000 0.216 126 A C 2.716 180.300 177.584 0.000 0.000 1.195 126 A CA 2.385 54.422 52.037 -0.000 0.000 0.622 126 A CB -1.378 17.623 19.000 0.002 0.000 0.831 126 A HN 0.595 nan 8.150 nan 0.000 0.444 127 A N -0.700 122.120 122.820 0.001 0.000 1.978 127 A HA -0.009 4.311 4.320 0.000 0.000 0.220 127 A C 2.185 179.768 177.584 -0.001 0.000 1.170 127 A CA 1.846 53.884 52.037 0.002 0.000 0.636 127 A CB -0.955 18.047 19.000 0.003 0.000 0.810 127 A HN 0.480 nan 8.150 nan 0.000 0.448 128 V N -0.280 119.630 119.914 -0.006 0.000 2.407 128 V HA -0.246 3.874 4.120 0.000 0.000 0.248 128 V C 2.521 178.610 176.094 -0.008 0.000 1.055 128 V CA 2.323 64.616 62.300 -0.011 0.000 1.049 128 V CB -0.792 31.020 31.823 -0.019 0.000 0.662 128 V HN 0.527 nan 8.190 nan 0.000 0.455 129 E N 0.262 120.459 120.200 -0.005 0.000 2.017 129 E HA -0.177 4.173 4.350 0.000 0.000 0.193 129 E C 2.317 178.918 176.600 0.001 0.000 0.997 129 E CA 1.178 57.576 56.400 -0.002 0.000 0.804 129 E CB -0.391 29.308 29.700 -0.001 0.000 0.757 129 E HN 0.508 nan 8.360 nan 0.000 0.448 130 E N 0.064 120.265 120.200 0.003 0.000 2.164 130 E HA -0.250 4.100 4.350 0.000 0.000 0.206 130 E C 2.122 178.726 176.600 0.007 0.000 1.032 130 E CA 0.944 57.348 56.400 0.006 0.000 0.832 130 E CB -0.428 29.277 29.700 0.008 0.000 0.742 130 E HN 0.168 nan 8.360 nan 0.000 0.460 131 L N 1.319 122.545 121.223 0.004 0.000 2.042 131 L HA -0.194 4.146 4.340 0.000 0.000 0.210 131 L C 2.229 179.101 176.870 0.004 0.000 1.076 131 L CA 1.762 56.605 54.840 0.004 0.000 0.749 131 L CB -0.352 41.706 42.059 -0.001 0.000 0.893 131 L HN 0.047 nan 8.230 nan 0.000 0.432 132 K N -1.042 119.359 120.400 0.001 0.000 2.063 132 K HA -0.191 4.129 4.320 0.000 0.000 0.208 132 K C 2.088 178.691 176.600 0.005 0.000 1.048 132 K CA 1.421 57.709 56.287 0.002 0.000 0.928 132 K CB -0.457 32.042 32.500 -0.000 0.000 0.713 132 K HN 0.387 nan 8.250 nan 0.000 0.442 133 A N 1.785 124.609 122.820 0.006 0.000 1.841 133 A HA -0.188 4.132 4.320 0.000 0.000 0.216 133 A C 2.185 179.776 177.584 0.012 0.000 1.199 133 A CA 1.460 53.502 52.037 0.009 0.000 0.621 133 A CB -0.788 18.218 19.000 0.010 0.000 0.835 133 A HN 0.257 nan 8.150 nan 0.000 0.445 134 L N 0.483 121.714 121.223 0.013 0.000 2.127 134 L HA -0.033 4.307 4.340 0.000 0.000 0.211 134 L C 1.579 178.458 176.870 0.015 0.000 1.089 134 L CA 1.640 56.490 54.840 0.017 0.000 0.757 134 L CB -0.768 41.302 42.059 0.019 0.000 0.899 134 L HN 0.344 nan 8.230 nan 0.000 0.434 135 S N -0.911 114.796 115.700 0.011 0.000 2.558 135 S HA 0.141 4.611 4.470 0.000 0.000 0.291 135 S C -0.196 174.410 174.600 0.011 0.000 1.306 135 S CA -0.419 57.787 58.200 0.010 0.000 1.056 135 S CB 0.130 63.334 63.200 0.006 0.000 0.836 135 S HN 0.105 nan 8.310 nan 0.000 0.504 136 V N 8.302 128.222 119.914 0.011 0.000 2.448 136 V HA 0.396 4.516 4.120 0.000 0.000 0.295 136 V C -2.041 174.059 176.094 0.010 0.000 1.025 136 V CA -1.861 60.445 62.300 0.011 0.000 0.859 136 V CB 1.477 33.308 31.823 0.013 0.000 0.988 136 V HN 0.790 nan 8.190 nan 0.000 0.431 137 P HA 0.019 nan 4.420 nan 0.000 0.270 137 P C -0.574 176.731 177.300 0.008 0.000 1.216 137 P CA 0.011 63.116 63.100 0.008 0.000 0.788 137 P CB 0.351 32.056 31.700 0.007 0.000 0.883 138 C N 1.645 120.950 119.300 0.008 0.000 3.220 138 C HA 0.485 4.945 4.460 0.000 0.000 0.352 138 C C 0.938 175.932 174.990 0.007 0.000 1.031 138 C CA 0.320 59.343 59.018 0.008 0.000 1.338 138 C CB -0.922 26.823 27.740 0.009 0.000 1.763 138 C HN 0.630 nan 8.230 nan 0.000 0.548 139 S N 2.537 118.241 115.700 0.006 0.000 3.313 139 S HA 0.194 4.664 4.470 0.000 0.000 0.247 139 S C 0.246 174.848 174.600 0.004 0.000 1.058 139 S CA 0.698 58.902 58.200 0.005 0.000 0.794 139 S CB -0.186 63.017 63.200 0.005 0.000 0.842 139 S HN 0.928 nan 8.310 nan 0.000 0.526 140 D N 1.927 122.330 120.400 0.004 0.000 2.419 140 D HA 0.124 4.764 4.640 0.000 0.000 0.236 140 D C 0.726 177.028 176.300 0.003 0.000 1.165 140 D CA 0.337 54.339 54.000 0.003 0.000 0.882 140 D CB 0.382 41.184 40.800 0.004 0.000 1.201 140 D HN 0.129 nan 8.370 nan 0.000 0.443 141 S N 0.520 116.221 115.700 0.002 0.000 2.488 141 S HA -0.199 4.271 4.470 0.000 0.000 0.246 141 S C 1.427 176.028 174.600 0.002 0.000 0.992 141 S CA 1.158 59.359 58.200 0.001 0.000 0.963 141 S CB -0.274 62.927 63.200 0.000 0.000 0.754 141 S HN 0.632 nan 8.310 nan 0.000 0.519 142 K N 1.828 122.229 120.400 0.002 0.000 1.992 142 K HA 0.044 4.364 4.320 0.000 0.000 0.210 142 K C 2.366 178.968 176.600 0.004 0.000 1.036 142 K CA 1.019 57.308 56.287 0.003 0.000 0.946 142 K CB -0.564 31.938 32.500 0.003 0.000 0.742 142 K HN 0.192 nan 8.250 nan 0.000 0.442 143 A N 1.806 124.629 122.820 0.005 0.000 2.009 143 A HA -0.219 4.101 4.320 0.000 0.000 0.222 143 A C 2.052 179.639 177.584 0.005 0.000 1.175 143 A CA 1.814 53.855 52.037 0.006 0.000 0.651 143 A CB -0.756 18.247 19.000 0.006 0.000 0.815 143 A HN 0.413 nan 8.150 nan 0.000 0.459 144 I N -0.414 120.159 120.570 0.004 0.000 2.094 144 I HA -0.210 3.960 4.170 0.000 0.000 0.234 144 I C 3.003 179.122 176.117 0.003 0.000 1.063 144 I CA 1.524 62.826 61.300 0.004 0.000 1.328 144 I CB -1.830 36.171 38.000 0.003 0.000 1.058 144 I HN 0.354 nan 8.210 nan 0.000 0.400 145 A N 0.076 122.897 122.820 0.002 0.000 2.024 145 A HA -0.288 4.032 4.320 0.000 0.000 0.220 145 A C 2.189 179.774 177.584 0.002 0.000 1.164 145 A CA 1.996 54.034 52.037 0.001 0.000 0.643 145 A CB -0.677 18.323 19.000 0.000 0.000 0.806 145 A HN 0.543 nan 8.150 nan 0.000 0.451 146 Q N 0.117 119.919 119.800 0.003 0.000 1.858 146 Q HA -0.184 4.156 4.340 0.000 0.000 0.240 146 Q C 2.046 178.048 176.000 0.004 0.000 1.014 146 Q CA 2.943 58.748 55.803 0.004 0.000 0.884 146 Q CB -1.118 27.623 28.738 0.005 0.000 0.957 146 Q HN 0.588 nan 8.270 nan 0.000 0.419 147 V N 0.517 120.435 119.914 0.006 0.000 2.278 147 V HA -0.261 3.859 4.120 0.000 0.000 0.251 147 V C 1.894 177.993 176.094 0.008 0.000 1.062 147 V CA 3.099 65.403 62.300 0.007 0.000 1.038 147 V CB -1.481 30.348 31.823 0.010 0.000 0.646 147 V HN 0.612 nan 8.190 nan 0.000 0.447 148 G N -0.104 108.701 108.800 0.007 0.000 2.628 148 G HA2 -0.420 3.540 3.960 0.000 0.000 0.217 148 G HA3 -0.420 3.540 3.960 0.000 0.000 0.217 148 G C 1.789 176.692 174.900 0.005 0.000 1.240 148 G CA 2.729 47.834 45.100 0.007 0.000 0.792 148 G HN 0.827 nan 8.290 nan 0.000 0.593 149 T N 0.172 114.728 114.554 0.003 0.000 2.760 149 T HA -0.171 4.179 4.350 0.000 0.000 0.269 149 T C 2.348 177.049 174.700 0.001 0.000 1.047 149 T CA 1.630 63.731 62.100 0.001 0.000 1.139 149 T CB -0.381 68.487 68.868 0.000 0.000 0.855 149 T HN 0.336 nan 8.240 nan 0.000 0.471 150 I N 1.228 121.799 120.570 0.001 0.000 2.133 150 I HA -0.106 4.064 4.170 0.000 0.000 0.238 150 I C 3.018 179.136 176.117 0.000 0.000 1.074 150 I CA 1.464 62.764 61.300 -0.001 0.000 1.342 150 I CB -0.716 37.284 38.000 -0.001 0.000 1.053 150 I HN 0.312 nan 8.210 nan 0.000 0.404 151 S N 0.627 116.330 115.700 0.005 0.000 2.469 151 S HA -0.040 4.430 4.470 0.000 0.000 0.238 151 S C 1.816 176.422 174.600 0.010 0.000 0.998 151 S CA 1.090 59.296 58.200 0.010 0.000 0.957 151 S CB -0.208 63.004 63.200 0.019 0.000 0.764 151 S HN 0.454 nan 8.310 nan 0.000 0.514 152 A N 1.074 123.898 122.820 0.007 0.000 2.307 152 A HA 0.330 4.650 4.320 0.000 0.000 0.218 152 A C 0.662 178.247 177.584 0.002 0.000 1.228 152 A CA 0.266 52.307 52.037 0.006 0.000 0.857 152 A CB -0.813 18.190 19.000 0.004 0.000 0.897 152 A HN 0.799 nan 8.150 nan 0.000 0.495 153 N N -0.695 118.005 118.700 -0.000 0.000 2.765 153 N HA -0.234 4.506 4.740 0.000 0.000 0.254 153 N C 0.392 175.899 175.510 -0.005 0.000 1.094 153 N CA 0.299 53.347 53.050 -0.004 0.000 0.680 153 N CB -1.110 37.375 38.487 -0.004 0.000 0.902 153 N HN 0.353 nan 8.380 nan 0.000 0.557 154 S N -1.326 114.371 115.700 -0.005 0.000 1.906 154 S HA -0.283 4.187 4.470 0.000 0.000 0.229 154 S C 0.039 174.638 174.600 -0.003 0.000 1.003 154 S CA 1.386 59.583 58.200 -0.005 0.000 1.559 154 S CB -0.988 62.208 63.200 -0.007 0.000 2.023 154 S HN 0.834 nan 8.310 nan 0.000 0.555 155 D N 2.844 123.243 120.400 -0.003 0.000 2.518 155 D HA -0.003 4.637 4.640 0.000 0.000 0.270 155 D C 1.044 177.343 176.300 -0.002 0.000 1.338 155 D CA 0.664 54.663 54.000 -0.002 0.000 0.983 155 D CB 0.239 41.038 40.800 -0.002 0.000 1.126 155 D HN 0.625 nan 8.370 nan 0.000 0.543 156 E N 1.397 121.596 120.200 -0.002 0.000 2.106 156 E HA -0.179 4.171 4.350 0.000 0.000 0.192 156 E C 2.026 178.625 176.600 -0.002 0.000 0.984 156 E CA 1.557 57.956 56.400 -0.002 0.000 0.806 156 E CB -0.028 29.671 29.700 -0.001 0.000 0.750 156 E HN 0.698 nan 8.360 nan 0.000 0.458 157 T N -0.495 114.058 114.554 -0.003 0.000 2.721 157 T HA -0.196 4.154 4.350 0.000 0.000 0.268 157 T C 2.052 176.750 174.700 -0.004 0.000 1.038 157 T CA 1.566 63.664 62.100 -0.003 0.000 1.145 157 T CB -0.728 68.138 68.868 -0.004 0.000 0.858 157 T HN -0.037 nan 8.240 nan 0.000 0.459 158 V N 2.283 122.195 119.914 -0.003 0.000 2.221 158 V HA 0.038 4.158 4.120 0.000 0.000 0.242 158 V C 3.206 179.298 176.094 -0.003 0.000 1.041 158 V CA 1.856 64.154 62.300 -0.003 0.000 0.995 158 V CB -1.689 30.133 31.823 -0.002 0.000 0.635 158 V HN 0.633 nan 8.190 nan 0.000 0.448 159 G N -0.121 108.678 108.800 -0.002 0.000 2.550 159 G HA2 -0.397 3.563 3.960 0.000 0.000 0.222 159 G HA3 -0.397 3.563 3.960 0.000 0.000 0.222 159 G C 1.532 176.431 174.900 -0.002 0.000 1.113 159 G CA 1.586 46.686 45.100 -0.001 0.000 0.748 159 G HN 0.549 nan 8.290 nan 0.000 0.585 160 K N -0.248 120.150 120.400 -0.003 0.000 1.970 160 K HA -0.129 4.191 4.320 0.000 0.000 0.225 160 K C 2.488 179.085 176.600 -0.005 0.000 1.045 160 K CA 1.632 57.917 56.287 -0.003 0.000 1.002 160 K CB -0.452 32.046 32.500 -0.004 0.000 0.743 160 K HN 0.138 nan 8.250 nan 0.000 0.445 161 L N 1.461 122.680 121.223 -0.006 0.000 2.064 161 L HA -0.261 4.079 4.340 0.000 0.000 0.216 161 L C 2.332 179.196 176.870 -0.010 0.000 1.077 161 L CA 1.745 56.580 54.840 -0.009 0.000 0.766 161 L CB -0.693 41.360 42.059 -0.010 0.000 0.890 161 L HN 0.404 nan 8.230 nan 0.000 0.435 162 I N -0.885 119.679 120.570 -0.010 0.000 2.163 162 I HA -0.353 3.817 4.170 0.000 0.000 0.243 162 I C 2.649 178.761 176.117 -0.009 0.000 1.085 162 I CA 1.391 62.685 61.300 -0.011 0.000 1.347 162 I CB -0.742 37.253 38.000 -0.008 0.000 1.044 162 I HN 0.288 nan 8.210 nan 0.000 0.408 163 A N 0.656 123.473 122.820 -0.006 0.000 1.877 163 A HA -0.217 4.103 4.320 0.000 0.000 0.216 163 A C 2.221 179.802 177.584 -0.005 0.000 1.186 163 A CA 1.709 53.743 52.037 -0.004 0.000 0.620 163 A CB -0.636 18.362 19.000 -0.002 0.000 0.822 163 A HN 0.464 nan 8.150 nan 0.000 0.443 164 E N -0.041 120.156 120.200 -0.006 0.000 2.049 164 E HA -0.191 4.159 4.350 0.000 0.000 0.198 164 E C 2.370 178.965 176.600 -0.008 0.000 1.007 164 E CA 1.062 57.458 56.400 -0.007 0.000 0.809 164 E CB -0.415 29.280 29.700 -0.007 0.000 0.749 164 E HN 0.610 nan 8.360 nan 0.000 0.450 165 A N 1.800 124.614 122.820 -0.010 0.000 1.848 165 A HA -0.282 4.038 4.320 0.000 0.000 0.217 165 A C 2.276 179.853 177.584 -0.011 0.000 1.220 165 A CA 2.289 54.318 52.037 -0.013 0.000 0.645 165 A CB -0.847 18.143 19.000 -0.017 0.000 0.842 165 A HN 0.177 nan 8.150 nan 0.000 0.451 166 M N -1.111 118.483 119.600 -0.010 0.000 2.195 166 M HA -0.205 4.275 4.480 0.000 0.000 0.260 166 M C 1.703 178.000 176.300 -0.006 0.000 1.066 166 M CA 1.994 57.289 55.300 -0.008 0.000 1.089 166 M CB -0.712 31.884 32.600 -0.005 0.000 1.377 166 M HN 0.536 nan 8.290 nan 0.000 0.411 167 D N 0.346 120.743 120.400 -0.005 0.000 2.310 167 D HA -0.092 4.548 4.640 0.000 0.000 0.212 167 D C 1.914 178.211 176.300 -0.005 0.000 0.965 167 D CA 0.942 54.939 54.000 -0.004 0.000 0.879 167 D CB 0.357 41.155 40.800 -0.004 0.000 0.921 167 D HN 0.106 nan 8.370 nan 0.000 0.510 168 K N -0.246 120.151 120.400 -0.006 0.000 2.079 168 K HA 0.083 4.403 4.320 0.000 0.000 0.214 168 K C 1.580 178.176 176.600 -0.007 0.000 1.024 168 K CA 0.328 56.611 56.287 -0.007 0.000 0.948 168 K CB -1.083 31.412 32.500 -0.009 0.000 0.830 168 K HN -0.004 nan 8.250 nan 0.000 0.452 169 V N 1.023 120.933 119.914 -0.008 0.000 3.630 169 V HA 0.149 4.269 4.120 0.000 0.000 0.273 169 V C 0.284 176.375 176.094 -0.005 0.000 1.248 169 V CA 1.068 63.363 62.300 -0.007 0.000 1.170 169 V CB -1.008 30.809 31.823 -0.010 0.000 0.899 169 V HN 0.661 nan 8.190 nan 0.000 0.457 170 G N 0.323 109.120 108.800 -0.005 0.000 2.712 170 G HA2 -0.201 3.759 3.960 0.000 0.000 0.683 170 G HA3 -0.201 3.759 3.960 0.000 0.000 0.683 170 G C 0.191 175.090 174.900 -0.003 0.000 1.320 170 G CA 0.054 45.153 45.100 -0.003 0.000 0.847 170 G HN 0.303 nan 8.290 nan 0.000 0.553 171 K N -0.042 120.358 120.400 -0.000 0.000 2.148 171 K HA -0.040 4.280 4.320 0.000 0.000 0.204 171 K C 1.899 178.499 176.600 0.001 0.000 1.050 171 K CA 1.836 58.123 56.287 0.001 0.000 0.942 171 K CB 0.012 32.514 32.500 0.003 0.000 0.724 171 K HN 0.414 nan 8.250 nan 0.000 0.446 172 E N 0.081 120.283 120.200 0.002 0.000 2.472 172 E HA 0.071 4.421 4.350 0.000 0.000 0.196 172 E C 0.616 177.216 176.600 0.000 0.000 1.033 172 E CA -0.056 56.347 56.400 0.004 0.000 0.886 172 E CB 0.252 29.956 29.700 0.008 0.000 0.944 172 E HN 0.286 nan 8.360 nan 0.000 0.492 173 G N 0.267 109.065 108.800 -0.003 0.000 2.771 173 G HA2 0.123 4.083 3.960 0.000 0.000 0.242 173 G HA3 0.123 4.083 3.960 0.000 0.000 0.242 173 G C -0.169 174.724 174.900 -0.013 0.000 1.233 173 G CA -0.403 44.692 45.100 -0.007 0.000 0.858 173 G HN 0.054 nan 8.290 nan 0.000 0.591 174 V N 1.333 121.237 119.914 -0.017 0.000 2.350 174 V HA 0.320 4.440 4.120 0.000 0.000 0.276 174 V C -0.231 175.844 176.094 -0.032 0.000 1.028 174 V CA -0.355 61.930 62.300 -0.026 0.000 0.860 174 V CB 0.759 32.565 31.823 -0.029 0.000 0.990 174 V HN 0.450 nan 8.190 nan 0.000 0.453 175 I N 4.909 125.455 120.570 -0.040 0.000 2.493 175 I HA 0.714 4.884 4.170 0.000 0.000 0.298 175 I C 0.540 176.624 176.117 -0.054 0.000 0.998 175 I CA 0.093 61.367 61.300 -0.043 0.000 1.137 175 I CB 2.187 40.162 38.000 -0.043 0.000 1.310 175 I HN 0.768 nan 8.210 nan 0.000 0.445 176 T N 2.057 116.582 114.554 -0.048 0.000 2.831 176 T HA 0.929 5.279 4.350 0.000 0.000 0.287 176 T C -0.765 173.909 174.700 -0.043 0.000 1.070 176 T CA -0.779 61.291 62.100 -0.050 0.000 1.010 176 T CB 1.672 70.512 68.868 -0.047 0.000 1.264 176 T HN 0.262 nan 8.240 nan 0.000 0.532 177 V N 0.528 120.418 119.914 -0.040 0.000 2.925 177 V HA 0.701 4.821 4.120 0.000 0.000 0.311 177 V C -1.014 175.064 176.094 -0.026 0.000 1.104 177 V CA -0.882 61.399 62.300 -0.032 0.000 0.954 177 V CB 1.946 33.750 31.823 -0.032 0.000 1.022 177 V HN 1.082 nan 8.190 nan 0.000 0.427 178 E N 0.914 121.100 120.200 -0.022 0.000 2.390 178 E HA 0.438 4.788 4.350 0.000 0.000 0.277 178 E C -1.851 174.739 176.600 -0.016 0.000 0.939 178 E CA -1.052 55.336 56.400 -0.020 0.000 0.769 178 E CB 2.225 31.912 29.700 -0.022 0.000 1.251 178 E HN 0.704 nan 8.360 nan 0.000 0.450 179 D N 0.852 121.244 120.400 -0.014 0.000 2.423 179 D HA 0.247 4.887 4.640 0.000 0.000 0.238 179 D C 0.219 176.512 176.300 -0.012 0.000 1.142 179 D CA 0.502 54.495 54.000 -0.012 0.000 0.884 179 D CB 0.592 41.386 40.800 -0.010 0.000 1.199 179 D HN 0.461 nan 8.370 nan 0.000 0.438 180 G N -0.228 108.565 108.800 -0.011 0.000 2.432 180 G HA2 0.279 4.239 3.960 0.000 0.000 0.257 180 G HA3 0.279 4.239 3.960 0.000 0.000 0.257 180 G C 1.174 176.068 174.900 -0.010 0.000 1.238 180 G CA -0.306 44.787 45.100 -0.011 0.000 0.838 180 G HN 0.525 nan 8.290 nan 0.000 0.547 181 T N -0.045 114.503 114.554 -0.011 0.000 2.904 181 T HA 0.189 4.539 4.350 0.000 0.000 0.267 181 T C 1.442 176.137 174.700 -0.009 0.000 1.059 181 T CA 1.195 63.289 62.100 -0.010 0.000 1.137 181 T CB 0.021 68.882 68.868 -0.011 0.000 0.879 181 T HN 0.712 nan 8.240 nan 0.000 0.467 182 G N 0.606 109.401 108.800 -0.008 0.000 3.356 182 G HA2 0.520 4.480 3.960 0.000 0.000 0.178 182 G HA3 0.520 4.480 3.960 0.000 0.000 0.178 182 G C 0.226 175.121 174.900 -0.007 0.000 1.175 182 G CA -0.040 45.056 45.100 -0.007 0.000 0.840 182 G HN 0.261 nan 8.290 nan 0.000 0.658 183 L N -0.845 120.374 121.223 -0.006 0.000 2.515 183 L HA 0.445 4.785 4.340 0.000 0.000 0.223 183 L C 0.587 177.454 176.870 -0.006 0.000 1.079 183 L CA 0.435 55.272 54.840 -0.006 0.000 0.857 183 L CB -0.092 41.964 42.059 -0.005 0.000 1.050 183 L HN 0.170 nan 8.230 nan 0.000 0.476 184 Q N 1.248 121.044 119.800 -0.006 0.000 2.259 184 Q HA 0.209 4.549 4.340 0.000 0.000 0.246 184 Q C -0.842 175.153 176.000 -0.008 0.000 0.920 184 Q CA -0.289 55.510 55.803 -0.007 0.000 0.895 184 Q CB 1.197 29.931 28.738 -0.007 0.000 1.220 184 Q HN 0.226 nan 8.270 nan 0.000 0.439 185 D N 1.606 122.002 120.400 -0.008 0.000 2.339 185 D HA 0.224 4.864 4.640 0.000 0.000 0.245 185 D C -0.370 175.924 176.300 -0.010 0.000 1.115 185 D CA 0.154 54.149 54.000 -0.009 0.000 0.917 185 D CB 0.829 41.624 40.800 -0.009 0.000 1.192 185 D HN 0.279 nan 8.370 nan 0.000 0.428 186 E N 0.406 120.599 120.200 -0.011 0.000 2.275 186 E HA 0.430 4.780 4.350 0.000 0.000 0.270 186 E C -0.968 175.624 176.600 -0.014 0.000 0.882 186 E CA -0.649 55.744 56.400 -0.012 0.000 0.758 186 E CB 2.479 32.172 29.700 -0.013 0.000 1.195 186 E HN 0.198 nan 8.360 nan 0.000 0.419 187 L N 3.648 124.863 121.223 -0.013 0.000 2.342 187 L HA 0.491 4.831 4.340 0.000 0.000 0.276 187 L C -1.552 175.310 176.870 -0.014 0.000 0.997 187 L CA -0.432 54.400 54.840 -0.014 0.000 0.838 187 L CB 0.684 42.735 42.059 -0.013 0.000 1.224 187 L HN 0.521 nan 8.230 nan 0.000 0.416 188 D N 4.401 124.792 120.400 -0.016 0.000 2.619 188 D HA 0.401 5.041 4.640 0.000 0.000 0.241 188 D C -0.737 175.553 176.300 -0.017 0.000 1.087 188 D CA -0.173 53.817 54.000 -0.016 0.000 0.851 188 D CB 2.990 43.780 40.800 -0.016 0.000 1.474 188 D HN 0.324 nan 8.370 nan 0.000 0.478 189 V N -0.448 119.457 119.914 -0.015 0.000 2.370 189 V HA 0.766 4.886 4.120 0.000 0.000 0.283 189 V C -0.129 175.956 176.094 -0.016 0.000 1.023 189 V CA -0.548 61.742 62.300 -0.015 0.000 0.857 189 V CB 1.365 33.180 31.823 -0.013 0.000 0.985 189 V HN 0.311 nan 8.190 nan 0.000 0.443 190 V N 3.127 123.031 119.914 -0.017 0.000 3.114 190 V HA 0.553 4.673 4.120 0.000 0.000 0.308 190 V C -0.281 175.803 176.094 -0.017 0.000 1.168 190 V CA -0.615 61.675 62.300 -0.018 0.000 1.015 190 V CB 2.330 34.140 31.823 -0.021 0.000 1.050 190 V HN 1.025 nan 8.190 nan 0.000 0.433 191 E N 2.961 123.152 120.200 -0.015 0.000 2.614 191 E HA 0.370 4.720 4.350 0.000 0.000 0.245 191 E C 0.200 176.791 176.600 -0.016 0.000 1.039 191 E CA 0.966 57.358 56.400 -0.012 0.000 0.948 191 E CB 0.396 30.090 29.700 -0.011 0.000 0.937 191 E HN 0.981 nan 8.360 nan 0.000 0.498 192 G N 1.666 110.457 108.800 -0.014 0.000 2.663 192 G HA2 0.687 4.647 3.960 0.000 0.000 0.299 192 G HA3 0.687 4.647 3.960 0.000 0.000 0.299 192 G C -1.047 173.844 174.900 -0.015 0.000 1.372 192 G CA -0.582 44.505 45.100 -0.020 0.000 0.781 192 G HN 0.408 nan 8.290 nan 0.000 0.491 193 M N -0.584 118.999 119.600 -0.030 0.000 2.895 193 M HA 0.584 5.064 4.480 0.000 0.000 0.271 193 M C -2.374 173.874 176.300 -0.088 0.000 1.174 193 M CA -0.666 54.620 55.300 -0.022 0.000 0.816 193 M CB 2.272 34.888 32.600 0.027 0.000 1.647 193 M HN 0.804 nan 8.290 nan 0.000 0.506 194 Q N 2.095 121.846 119.800 -0.082 0.000 2.522 194 Q HA 0.716 5.056 4.340 0.000 0.000 0.285 194 Q C -2.298 173.659 176.000 -0.072 0.000 0.982 194 Q CA -0.627 55.053 55.803 -0.206 0.000 0.805 194 Q CB 2.757 31.418 28.738 -0.129 0.000 1.457 194 Q HN 0.660 nan 8.270 nan 0.000 0.394 195 F N -0.948 119.009 119.950 0.011 0.000 2.703 195 F HA 0.435 4.962 4.527 0.000 0.000 0.308 195 F C -1.618 174.191 175.800 0.015 0.000 1.126 195 F CA -1.393 56.615 58.000 0.014 0.000 0.959 195 F CB 0.591 39.602 39.000 0.017 0.000 1.297 195 F HN 0.307 nan 8.300 nan 0.000 0.441 196 D N 2.450 123.053 120.400 0.338 0.000 2.367 196 D HA 0.450 5.090 4.640 0.000 0.000 0.255 196 D C -0.422 176.036 176.300 0.262 0.000 1.300 196 D CA 0.539 54.669 54.000 0.216 0.000 0.959 196 D CB 0.381 41.259 40.800 0.130 0.000 1.064 196 D HN 0.581 nan 8.370 nan 0.000 0.509 197 R N 0.856 121.516 120.500 0.266 0.000 2.725 197 R HA 0.502 4.842 4.340 0.000 0.000 0.276 197 R C -0.395 175.981 176.300 0.127 0.000 1.189 197 R CA -0.501 55.737 56.100 0.230 0.000 1.083 197 R CB 1.303 31.848 30.300 0.407 0.000 1.262 197 R HN 0.383 nan 8.270 nan 0.000 0.415 198 G N 2.060 110.862 108.800 0.004 0.000 2.462 198 G HA2 0.418 4.378 3.960 0.000 0.000 0.319 198 G HA3 0.418 4.378 3.960 0.000 0.000 0.319 198 G C -0.622 174.234 174.900 -0.073 0.000 1.171 198 G CA -0.569 44.434 45.100 -0.163 0.000 0.920 198 G HN 0.506 nan 8.290 nan 0.000 0.499 199 Y N -0.837 119.555 120.300 0.153 0.000 2.554 199 Y HA 0.243 4.793 4.550 0.000 0.000 0.353 199 Y C 0.666 176.667 175.900 0.169 0.000 1.269 199 Y CA -0.856 57.377 58.100 0.222 0.000 1.494 199 Y CB 0.083 38.718 38.460 0.290 0.000 1.365 199 Y HN 0.128 nan 8.280 nan 0.000 0.664 200 L N 0.898 122.419 121.223 0.498 0.000 2.910 200 L HA 0.365 4.705 4.340 0.000 0.000 0.252 200 L C 0.087 177.011 176.870 0.090 0.000 1.195 200 L CA 0.345 55.348 54.840 0.272 0.000 1.003 200 L CB -0.333 41.856 42.059 0.217 0.000 1.328 200 L HN 0.716 nan 8.230 nan 0.000 0.540 201 S N -1.270 114.425 115.700 -0.008 0.000 2.561 201 S HA 0.333 4.803 4.470 0.000 0.000 0.292 201 S C -2.414 171.775 174.600 -0.685 0.000 1.107 201 S CA -0.521 57.417 58.200 -0.436 0.000 0.969 201 S CB 1.218 63.819 63.200 -0.997 0.000 1.150 201 S HN -0.138 nan 8.310 nan 0.000 0.451 202 P HA -0.038 nan 4.420 nan 0.000 0.219 202 P C 0.540 177.580 177.300 -0.434 0.000 1.146 202 P CA 0.897 63.583 63.100 -0.690 0.000 0.808 202 P CB -0.085 31.414 31.700 -0.335 0.000 0.779 203 Y N -2.637 117.421 120.300 -0.403 0.000 2.716 203 Y HA -0.106 4.444 4.550 -0.000 0.000 0.302 203 Y C 1.688 177.540 175.900 -0.079 0.000 1.160 203 Y CA 0.622 58.582 58.100 -0.233 0.000 1.362 203 Y CB -1.093 37.233 38.460 -0.223 0.000 0.988 203 Y HN -0.017 nan 8.280 nan 0.000 0.546 204 F N -0.639 119.267 119.950 -0.074 0.000 2.317 204 F HA 0.115 4.642 4.527 0.000 0.000 0.293 204 F C 1.199 176.946 175.800 -0.088 0.000 1.085 204 F CA -0.825 57.136 58.000 -0.066 0.000 1.390 204 F CB -0.782 38.174 39.000 -0.073 0.000 1.077 204 F HN -0.208 nan 8.300 nan 0.000 0.517 205 I N 3.330 123.912 120.570 0.021 0.000 2.996 205 I HA -0.225 3.945 4.170 0.000 0.000 0.310 205 I C 1.110 177.233 176.117 0.011 0.000 1.225 205 I CA 0.548 61.842 61.300 -0.011 0.000 1.442 205 I CB 0.151 38.100 38.000 -0.086 0.000 1.334 205 I HN 0.271 nan 8.210 nan 0.000 0.550 206 N N 5.201 123.915 118.700 0.023 0.000 2.181 206 N HA 0.018 4.758 4.740 0.000 0.000 0.207 206 N C -0.102 175.412 175.510 0.007 0.000 1.182 206 N CA -0.097 52.962 53.050 0.015 0.000 0.893 206 N CB 0.591 39.089 38.487 0.018 0.000 1.032 206 N HN 0.378 nan 8.380 nan 0.000 0.513 207 K N 2.282 122.689 120.400 0.011 0.000 2.533 207 K HA 0.321 4.641 4.320 0.000 0.000 0.207 207 K C -1.762 174.843 176.600 0.009 0.000 1.052 207 K CA -1.963 54.331 56.287 0.012 0.000 1.030 207 K CB 2.079 34.592 32.500 0.022 0.000 1.522 207 K HN 0.020 nan 8.250 nan 0.000 0.543 208 P HA -0.216 nan 4.420 nan 0.000 0.213 208 P C 0.826 178.125 177.300 -0.002 0.000 1.176 208 P CA 1.300 64.391 63.100 -0.014 0.000 0.919 208 P CB 0.439 32.126 31.700 -0.023 0.000 0.791 209 E N -0.845 119.356 120.200 0.002 0.000 2.396 209 E HA -0.088 4.262 4.350 0.000 0.000 0.200 209 E C 1.475 178.086 176.600 0.019 0.000 1.023 209 E CA 1.164 57.568 56.400 0.007 0.000 0.857 209 E CB -0.548 29.157 29.700 0.007 0.000 0.775 209 E HN 0.371 nan 8.360 nan 0.000 0.525 210 T N -1.850 112.720 114.554 0.027 0.000 2.959 210 T HA 0.220 4.570 4.350 0.000 0.000 0.254 210 T C 1.119 175.855 174.700 0.060 0.000 1.003 210 T CA 0.401 62.528 62.100 0.044 0.000 0.950 210 T CB 0.904 69.800 68.868 0.046 0.000 1.090 210 T HN 0.250 nan 8.240 nan 0.000 0.503 211 G N 1.984 110.815 108.800 0.052 0.000 2.221 211 G HA2 0.002 3.962 3.960 0.000 0.000 0.265 211 G HA3 0.002 3.962 3.960 0.000 0.000 0.265 211 G C 0.099 175.081 174.900 0.137 0.000 1.041 211 G CA 0.174 45.321 45.100 0.078 0.000 0.807 211 G HN 0.925 nan 8.290 nan 0.000 0.502 212 A N -1.391 121.489 122.820 0.099 0.000 2.387 212 A HA 0.930 5.250 4.320 0.000 0.000 0.303 212 A C -0.346 177.293 177.584 0.092 0.000 1.145 212 A CA -0.337 51.770 52.037 0.118 0.000 0.801 212 A CB 2.179 21.227 19.000 0.081 0.000 1.342 212 A HN 1.214 nan 8.150 nan 0.000 0.440 213 V N 1.596 121.572 119.914 0.103 0.000 2.349 213 V HA 0.323 4.443 4.120 0.000 0.000 0.284 213 V C -0.598 175.520 176.094 0.040 0.000 1.014 213 V CA -0.343 62.002 62.300 0.074 0.000 0.826 213 V CB 0.945 32.832 31.823 0.107 0.000 1.009 213 V HN 0.892 nan 8.190 nan 0.000 0.431 214 E N 5.609 125.821 120.200 0.021 0.000 2.109 214 E HA 0.557 4.907 4.350 0.000 0.000 0.278 214 E C -1.120 175.477 176.600 -0.005 0.000 0.954 214 E CA -0.438 55.965 56.400 0.004 0.000 0.779 214 E CB 1.889 31.590 29.700 0.001 0.000 1.093 214 E HN 0.538 nan 8.360 nan 0.000 0.401 215 L N 3.194 124.409 121.223 -0.014 0.000 2.305 215 L HA 0.294 4.634 4.340 0.000 0.000 0.284 215 L C 0.151 177.006 176.870 -0.026 0.000 1.013 215 L CA -1.000 53.828 54.840 -0.019 0.000 0.819 215 L CB 1.269 43.314 42.059 -0.023 0.000 1.227 215 L HN 0.337 nan 8.230 nan 0.000 0.417 216 E N 2.458 122.644 120.200 -0.024 0.000 2.159 216 E HA 0.023 4.373 4.350 0.000 0.000 0.272 216 E C 0.701 177.268 176.600 -0.054 0.000 1.138 216 E CA 0.037 56.417 56.400 -0.034 0.000 0.915 216 E CB 0.720 30.405 29.700 -0.024 0.000 1.028 216 E HN 0.698 nan 8.360 nan 0.000 0.423 217 S N 1.781 117.437 115.700 -0.074 0.000 3.294 217 S HA -0.186 4.284 4.470 0.000 0.000 0.361 217 S C -2.216 172.275 174.600 -0.182 0.000 0.935 217 S CA 0.004 58.131 58.200 -0.121 0.000 1.263 217 S CB -1.706 61.419 63.200 -0.126 0.000 0.891 217 S HN 0.263 nan 8.310 nan 0.000 0.487 218 P HA 0.552 nan 4.420 nan 0.000 0.277 218 P C 0.394 177.597 177.300 -0.162 0.000 1.276 218 P CA -0.713 62.343 63.100 -0.073 0.000 0.788 218 P CB 0.311 32.020 31.700 0.016 0.000 1.114 219 F N -0.693 119.247 119.950 -0.016 0.000 2.362 219 F HA 0.460 4.987 4.527 -0.000 0.000 0.311 219 F C 0.720 176.515 175.800 -0.008 0.000 1.161 219 F CA -0.032 57.962 58.000 -0.010 0.000 1.085 219 F CB 0.136 39.131 39.000 -0.009 0.000 1.311 219 F HN -0.013 nan 8.300 nan 0.000 0.524 220 I N 2.356 123.045 120.570 0.198 0.000 2.582 220 I HA 0.281 4.451 4.170 0.000 0.000 0.292 220 I C -1.425 174.754 176.117 0.104 0.000 1.066 220 I CA -0.847 60.522 61.300 0.114 0.000 1.053 220 I CB 2.127 40.171 38.000 0.074 0.000 1.241 220 I HN 0.218 nan 8.210 nan 0.000 0.421 221 L N 7.157 128.427 121.223 0.079 0.000 2.322 221 L HA 0.569 4.909 4.340 0.000 0.000 0.281 221 L C -1.160 175.743 176.870 0.056 0.000 1.014 221 L CA -0.521 54.355 54.840 0.060 0.000 0.815 221 L CB 1.618 43.703 42.059 0.044 0.000 1.247 221 L HN 0.616 nan 8.230 nan 0.000 0.421 222 L N 5.956 127.206 121.223 0.046 0.000 2.502 222 L HA 0.439 4.779 4.340 0.000 0.000 0.247 222 L C 0.592 177.478 176.870 0.027 0.000 1.180 222 L CA -0.332 54.531 54.840 0.039 0.000 0.956 222 L CB 1.052 43.133 42.059 0.036 0.000 1.282 222 L HN 0.717 nan 8.230 nan 0.000 0.470 223 A N 0.305 123.141 122.820 0.026 0.000 2.267 223 A HA 0.248 4.568 4.320 0.000 0.000 0.271 223 A C 0.519 178.111 177.584 0.015 0.000 1.131 223 A CA 0.184 52.233 52.037 0.020 0.000 0.818 223 A CB 0.543 19.556 19.000 0.022 0.000 1.118 223 A HN 0.615 nan 8.150 nan 0.000 0.501 224 D N -2.286 118.121 120.400 0.012 0.000 2.525 224 D HA 0.132 4.772 4.640 0.000 0.000 0.231 224 D C 0.265 176.571 176.300 0.010 0.000 1.216 224 D CA 0.259 54.264 54.000 0.008 0.000 0.813 224 D CB 0.095 40.898 40.800 0.006 0.000 1.108 224 D HN 0.627 nan 8.370 nan 0.000 0.524 225 K N -0.555 119.853 120.400 0.014 0.000 2.331 225 K HA 0.621 4.941 4.320 0.000 0.000 0.238 225 K C -0.825 175.787 176.600 0.020 0.000 1.058 225 K CA -1.048 55.249 56.287 0.015 0.000 0.871 225 K CB 1.193 33.701 32.500 0.013 0.000 1.292 225 K HN -0.349 nan 8.250 nan 0.000 0.470 226 K N 1.064 121.476 120.400 0.020 0.000 2.276 226 K HA 0.266 4.586 4.320 0.000 0.000 0.283 226 K C -0.485 176.129 176.600 0.024 0.000 1.044 226 K CA -0.329 55.972 56.287 0.024 0.000 0.944 226 K CB 0.510 33.023 32.500 0.022 0.000 1.012 226 K HN 0.441 nan 8.250 nan 0.000 0.472 227 I N 3.463 124.051 120.570 0.029 0.000 2.307 227 I HA 0.053 4.223 4.170 0.000 0.000 0.287 227 I C 1.014 177.148 176.117 0.028 0.000 1.054 227 I CA 0.082 61.399 61.300 0.028 0.000 1.218 227 I CB 0.161 38.181 38.000 0.033 0.000 1.398 227 I HN 0.747 nan 8.210 nan 0.000 0.475 228 S N 4.531 120.244 115.700 0.021 0.000 2.444 228 S HA 0.092 4.562 4.470 0.000 0.000 0.223 228 S C 0.878 175.487 174.600 0.015 0.000 1.054 228 S CA -0.023 58.187 58.200 0.018 0.000 0.947 228 S CB 0.147 63.354 63.200 0.013 0.000 0.850 228 S HN 0.608 nan 8.310 nan 0.000 0.527 229 N N 0.861 119.568 118.700 0.012 0.000 2.518 229 N HA 0.296 5.036 4.740 0.000 0.000 0.283 229 N C 0.554 176.071 175.510 0.010 0.000 1.119 229 N CA -0.209 52.847 53.050 0.009 0.000 0.983 229 N CB 1.114 39.604 38.487 0.006 0.000 1.139 229 N HN 0.145 nan 8.380 nan 0.000 0.465 230 I N 3.168 123.744 120.570 0.009 0.000 2.252 230 I HA -0.126 4.044 4.170 0.000 0.000 0.245 230 I C 2.455 178.575 176.117 0.004 0.000 1.102 230 I CA 0.649 61.954 61.300 0.009 0.000 1.385 230 I CB -0.660 37.344 38.000 0.007 0.000 1.064 230 I HN 0.636 nan 8.210 nan 0.000 0.414 231 R N 1.415 121.917 120.500 0.002 0.000 2.271 231 R HA -0.394 3.946 4.340 0.000 0.000 0.235 231 R C 2.156 178.454 176.300 -0.002 0.000 1.112 231 R CA 2.915 59.015 56.100 -0.001 0.000 0.886 231 R CB -0.564 29.735 30.300 -0.000 0.000 0.934 231 R HN 0.361 nan 8.270 nan 0.000 0.420 232 E N -0.198 120.002 120.200 -0.000 0.000 2.236 232 E HA -0.265 4.085 4.350 0.000 0.000 0.205 232 E C 1.875 178.472 176.600 -0.005 0.000 1.028 232 E CA 2.326 58.725 56.400 -0.001 0.000 0.827 232 E CB -0.262 29.440 29.700 0.003 0.000 0.735 232 E HN 0.393 nan 8.360 nan 0.000 0.470 233 M N -0.421 119.177 119.600 -0.005 0.000 2.200 233 M HA 0.021 4.501 4.480 0.000 0.000 0.265 233 M C 1.853 178.142 176.300 -0.018 0.000 1.066 233 M CA 1.031 56.325 55.300 -0.010 0.000 1.127 233 M CB -0.399 32.198 32.600 -0.005 0.000 1.379 233 M HN 0.063 nan 8.290 nan 0.000 0.420 234 L N 0.210 121.424 121.223 -0.015 0.000 2.082 234 L HA -0.304 4.036 4.340 0.000 0.000 0.223 234 L C -0.407 176.447 176.870 -0.026 0.000 1.086 234 L CA 1.877 56.706 54.840 -0.018 0.000 0.793 234 L CB -2.787 39.264 42.059 -0.013 0.000 0.896 234 L HN 0.255 nan 8.230 nan 0.000 0.441 235 P HA -0.159 nan 4.420 nan 0.000 0.208 235 P C 1.841 179.111 177.300 -0.050 0.000 1.195 235 P CA 2.441 65.520 63.100 -0.033 0.000 0.927 235 P CB -0.359 31.324 31.700 -0.028 0.000 0.778 236 V N -1.455 118.425 119.914 -0.056 0.000 2.287 236 V HA -0.213 3.907 4.120 0.000 0.000 0.248 236 V C 2.699 178.734 176.094 -0.098 0.000 1.053 236 V CA 1.947 64.195 62.300 -0.086 0.000 1.027 236 V CB -2.290 29.487 31.823 -0.078 0.000 0.646 236 V HN -0.074 nan 8.190 nan 0.000 0.447 237 L N 1.095 122.278 121.223 -0.067 0.000 2.270 237 L HA -0.205 4.135 4.340 0.000 0.000 0.217 237 L C 2.461 179.293 176.870 -0.064 0.000 1.107 237 L CA 2.530 57.335 54.840 -0.060 0.000 0.772 237 L CB -0.834 41.205 42.059 -0.034 0.000 0.902 237 L HN 0.706 nan 8.230 nan 0.000 0.439 238 E N -1.601 118.560 120.200 -0.065 0.000 2.216 238 E HA -0.022 4.328 4.350 0.000 0.000 0.192 238 E C 2.098 178.648 176.600 -0.082 0.000 0.973 238 E CA 0.609 56.974 56.400 -0.059 0.000 0.851 238 E CB 0.042 29.715 29.700 -0.044 0.000 0.804 238 E HN 0.533 nan 8.360 nan 0.000 0.477 239 A N 1.146 123.899 122.820 -0.113 0.000 1.877 239 A HA -0.134 4.186 4.320 0.000 0.000 0.216 239 A C 2.340 179.791 177.584 -0.222 0.000 1.186 239 A CA 1.702 53.646 52.037 -0.155 0.000 0.620 239 A CB -0.850 18.042 19.000 -0.181 0.000 0.822 239 A HN 0.300 nan 8.150 nan 0.000 0.443 240 V N -2.998 116.755 119.914 -0.269 0.000 3.041 240 V HA 0.204 4.324 4.120 0.000 0.000 0.260 240 V C 2.279 178.300 176.094 -0.121 0.000 1.105 240 V CA 1.350 63.465 62.300 -0.308 0.000 1.125 240 V CB -1.045 30.602 31.823 -0.294 0.000 0.730 240 V HN 0.485 nan 8.190 nan 0.000 0.479 241 A N 1.080 123.846 122.820 -0.090 0.000 1.872 241 A HA -0.057 4.263 4.320 0.000 0.000 0.214 241 A C 2.275 179.840 177.584 -0.031 0.000 1.187 241 A CA 1.799 53.810 52.037 -0.044 0.000 0.614 241 A CB -0.417 18.559 19.000 -0.039 0.000 0.826 241 A HN 0.568 nan 8.150 nan 0.000 0.442 242 K N -0.313 120.061 120.400 -0.043 0.000 2.426 242 K HA 0.239 4.559 4.320 0.000 0.000 0.193 242 K C 1.546 178.136 176.600 -0.016 0.000 1.028 242 K CA 0.540 56.812 56.287 -0.026 0.000 1.047 242 K CB 0.031 32.513 32.500 -0.029 0.000 0.821 242 K HN 0.399 nan 8.250 nan 0.000 0.513 243 A N 0.771 123.571 122.820 -0.033 0.000 2.251 243 A HA 0.167 4.487 4.320 0.000 0.000 0.209 243 A C 1.591 179.231 177.584 0.093 0.000 1.187 243 A CA 0.670 52.716 52.037 0.016 0.000 0.823 243 A CB -0.492 18.440 19.000 -0.113 0.000 0.846 243 A HN 0.369 nan 8.150 nan 0.000 0.486 244 G N -0.303 108.528 108.800 0.051 0.000 2.219 244 G HA2 -0.340 3.620 3.960 0.000 0.000 0.271 244 G HA3 -0.340 3.620 3.960 0.000 0.000 0.271 244 G C 0.352 175.307 174.900 0.092 0.000 0.991 244 G CA 1.339 46.474 45.100 0.058 0.000 0.685 244 G HN 0.626 nan 8.290 nan 0.000 0.531 245 K N 0.304 120.808 120.400 0.172 0.000 2.166 245 K HA 0.526 4.846 4.320 0.000 0.000 0.245 245 K C -2.388 174.325 176.600 0.189 0.000 0.967 245 K CA -2.182 54.232 56.287 0.211 0.000 0.863 245 K CB 1.590 34.309 32.500 0.365 0.000 1.107 245 K HN -0.035 nan 8.250 nan 0.000 0.436 246 P HA 0.136 nan 4.420 nan 0.000 0.275 246 P C -1.193 176.195 177.300 0.147 0.000 1.270 246 P CA -0.550 62.599 63.100 0.082 0.000 0.791 246 P CB 0.497 32.215 31.700 0.030 0.000 1.089 247 L N 0.728 121.994 121.223 0.072 0.000 2.513 247 L HA 0.464 4.804 4.340 0.000 0.000 0.261 247 L C -1.963 174.915 176.870 0.014 0.000 0.945 247 L CA -0.759 54.135 54.840 0.090 0.000 0.848 247 L CB 1.717 43.816 42.059 0.067 0.000 1.334 247 L HN 0.275 nan 8.230 nan 0.000 0.407 248 L N 5.232 126.477 121.223 0.036 0.000 2.334 248 L HA 0.662 5.002 4.340 0.000 0.000 0.273 248 L C -1.048 175.842 176.870 0.035 0.000 1.013 248 L CA -0.515 54.331 54.840 0.011 0.000 0.816 248 L CB 2.021 44.093 42.059 0.022 0.000 1.278 248 L HN 0.677 nan 8.230 nan 0.000 0.431 249 I N 4.548 125.137 120.570 0.032 0.000 2.689 249 I HA 0.516 4.686 4.170 0.000 0.000 0.299 249 I C -0.726 175.439 176.117 0.080 0.000 1.059 249 I CA -0.670 60.661 61.300 0.051 0.000 1.055 249 I CB 2.603 40.626 38.000 0.038 0.000 1.243 249 I HN 0.463 nan 8.210 nan 0.000 0.425 250 I N 4.129 124.745 120.570 0.076 0.000 2.586 250 I HA 0.753 4.923 4.170 0.000 0.000 0.288 250 I C -0.414 175.732 176.117 0.048 0.000 1.147 250 I CA -0.162 61.187 61.300 0.081 0.000 1.047 250 I CB 1.919 39.983 38.000 0.107 0.000 1.244 250 I HN 0.808 nan 8.210 nan 0.000 0.429 251 A N 4.527 127.370 122.820 0.039 0.000 2.457 251 A HA 0.469 4.789 4.320 0.000 0.000 0.305 251 A C 0.400 177.998 177.584 0.024 0.000 1.110 251 A CA -0.503 51.549 52.037 0.025 0.000 0.616 251 A CB 0.718 19.735 19.000 0.029 0.000 1.371 251 A HN 0.519 nan 8.150 nan 0.000 0.525 252 E N 0.422 120.635 120.200 0.022 0.000 2.045 252 E HA -0.180 4.170 4.350 0.000 0.000 0.212 252 E C 0.182 176.802 176.600 0.032 0.000 1.039 252 E CA 2.199 58.614 56.400 0.024 0.000 0.860 252 E CB 0.010 29.725 29.700 0.024 0.000 0.776 252 E HN 0.625 nan 8.360 nan 0.000 0.467 253 D N -2.455 117.968 120.400 0.038 0.000 2.992 253 D HA 0.245 4.885 4.640 0.000 0.000 0.349 253 D C -1.621 174.711 176.300 0.053 0.000 1.393 253 D CA -0.444 53.585 54.000 0.048 0.000 0.887 253 D CB 1.443 42.266 40.800 0.038 0.000 1.447 253 D HN -0.145 nan 8.370 nan 0.000 0.524 254 V N 1.599 121.548 119.914 0.058 0.000 2.624 254 V HA 0.259 4.379 4.120 0.000 0.000 0.294 254 V C -0.975 175.147 176.094 0.046 0.000 1.077 254 V CA -0.739 61.596 62.300 0.059 0.000 0.905 254 V CB 1.536 33.411 31.823 0.087 0.000 1.025 254 V HN 0.379 nan 8.190 nan 0.000 0.440 255 E N 2.379 122.598 120.200 0.032 0.000 2.338 255 E HA 0.423 4.773 4.350 0.000 0.000 0.272 255 E C 1.481 178.090 176.600 0.016 0.000 1.029 255 E CA 0.728 57.141 56.400 0.020 0.000 0.872 255 E CB 1.271 30.979 29.700 0.014 0.000 1.015 255 E HN 0.710 nan 8.360 nan 0.000 0.417 256 G N 2.937 111.740 108.800 0.004 0.000 2.656 256 G HA2 -0.471 3.489 3.960 0.000 0.000 0.223 256 G HA3 -0.471 3.489 3.960 0.000 0.000 0.223 256 G C 1.318 176.215 174.900 -0.005 0.000 1.130 256 G CA 1.526 46.620 45.100 -0.009 0.000 0.758 256 G HN 0.735 nan 8.290 nan 0.000 0.608 257 E N 0.434 120.633 120.200 -0.002 0.000 2.095 257 E HA -0.234 4.116 4.350 0.000 0.000 0.212 257 E C 2.630 179.233 176.600 0.006 0.000 1.044 257 E CA 1.869 58.269 56.400 -0.000 0.000 0.857 257 E CB -0.382 29.320 29.700 0.003 0.000 0.764 257 E HN 0.452 nan 8.360 nan 0.000 0.462 258 A N 0.473 123.302 122.820 0.015 0.000 1.984 258 A HA 0.085 4.405 4.320 0.000 0.000 0.214 258 A C 2.072 179.680 177.584 0.041 0.000 1.173 258 A CA 0.426 52.478 52.037 0.025 0.000 0.673 258 A CB -0.350 18.667 19.000 0.028 0.000 0.830 258 A HN 0.404 nan 8.150 nan 0.000 0.453 259 L N -0.270 120.978 121.223 0.041 0.000 1.950 259 L HA -0.053 4.287 4.340 0.000 0.000 0.210 259 L C 2.810 179.696 176.870 0.028 0.000 1.079 259 L CA 1.579 56.456 54.840 0.060 0.000 0.754 259 L CB -0.596 41.488 42.059 0.042 0.000 0.889 259 L HN 0.347 nan 8.230 nan 0.000 0.433 260 A N -0.146 122.661 122.820 -0.022 0.000 1.954 260 A HA -0.365 3.955 4.320 0.000 0.000 0.222 260 A C 2.286 179.844 177.584 -0.043 0.000 1.199 260 A CA 3.253 55.250 52.037 -0.067 0.000 0.657 260 A CB -1.672 17.287 19.000 -0.068 0.000 0.823 260 A HN 0.757 nan 8.150 nan 0.000 0.463 261 T N -1.178 113.371 114.554 -0.009 0.000 2.622 261 T HA -0.176 4.174 4.350 0.000 0.000 0.266 261 T C 1.837 176.554 174.700 0.029 0.000 1.047 261 T CA 1.575 63.677 62.100 0.003 0.000 1.159 261 T CB -0.827 68.047 68.868 0.010 0.000 0.863 261 T HN 0.341 nan 8.240 nan 0.000 0.422 262 L N 0.930 122.193 121.223 0.067 0.000 2.013 262 L HA -0.128 4.212 4.340 0.000 0.000 0.212 262 L C 3.034 180.016 176.870 0.187 0.000 1.073 262 L CA 1.280 56.193 54.840 0.122 0.000 0.753 262 L CB -0.992 41.169 42.059 0.169 0.000 0.890 262 L HN 0.193 nan 8.230 nan 0.000 0.432 263 V N -0.386 119.624 119.914 0.161 0.000 2.250 263 V HA -0.324 3.796 4.120 0.000 0.000 0.250 263 V C 2.427 178.547 176.094 0.043 0.000 1.060 263 V CA 2.087 64.428 62.300 0.069 0.000 1.030 263 V CB -0.574 31.111 31.823 -0.230 0.000 0.643 263 V HN 0.236 nan 8.190 nan 0.000 0.445 264 V N 0.378 120.284 119.914 -0.013 0.000 2.307 264 V HA -0.252 3.868 4.120 0.000 0.000 0.245 264 V C 2.424 178.538 176.094 0.034 0.000 1.045 264 V CA 2.203 64.499 62.300 -0.006 0.000 1.024 264 V CB -1.010 30.798 31.823 -0.026 0.000 0.651 264 V HN 0.640 nan 8.190 nan 0.000 0.449 265 N N 0.709 119.434 118.700 0.041 0.000 2.132 265 N HA -0.227 4.513 4.740 0.000 0.000 0.191 265 N C 1.931 177.473 175.510 0.053 0.000 1.015 265 N CA 2.572 55.646 53.050 0.041 0.000 0.864 265 N CB -0.077 38.434 38.487 0.038 0.000 1.006 265 N HN 0.740 nan 8.380 nan 0.000 0.430 266 T N -1.188 113.421 114.554 0.091 0.000 2.866 266 T HA 0.005 4.355 4.350 0.000 0.000 0.250 266 T C 1.470 176.229 174.700 0.097 0.000 1.033 266 T CA 0.364 62.522 62.100 0.097 0.000 1.145 266 T CB -0.504 68.456 68.868 0.153 0.000 0.866 266 T HN 0.300 nan 8.240 nan 0.000 0.434 267 M N 1.700 121.374 119.600 0.124 0.000 2.842 267 M HA 0.568 5.048 4.480 0.000 0.000 0.314 267 M C 0.471 176.813 176.300 0.070 0.000 1.646 267 M CA 0.458 55.826 55.300 0.112 0.000 1.484 267 M CB -1.096 31.602 32.600 0.163 0.000 1.727 267 M HN 0.551 nan 8.290 nan 0.000 0.468 268 R N 1.134 121.665 120.500 0.051 0.000 3.055 268 R HA 0.123 4.463 4.340 0.000 0.000 0.265 268 R C -0.338 175.979 176.300 0.028 0.000 0.947 268 R CA 0.814 56.934 56.100 0.032 0.000 0.652 268 R CB -3.038 27.279 30.300 0.028 0.000 1.367 268 R HN 1.764 nan 8.270 nan 0.000 0.441 269 G N -1.069 107.747 108.800 0.027 0.000 2.623 269 G HA2 0.677 4.637 3.960 0.000 0.000 0.290 269 G HA3 0.677 4.637 3.960 0.000 0.000 0.290 269 G C 0.860 175.770 174.900 0.017 0.000 1.437 269 G CA -0.253 44.860 45.100 0.022 0.000 0.798 269 G HN 0.592 nan 8.290 nan 0.000 0.488 270 I N -0.274 120.303 120.570 0.011 0.000 2.238 270 I HA -0.158 4.012 4.170 0.000 0.000 0.195 270 I C 1.140 177.261 176.117 0.007 0.000 0.987 270 I CA 1.046 62.350 61.300 0.007 0.000 1.325 270 I CB -0.455 37.546 38.000 0.003 0.000 1.059 270 I HN 0.085 nan 8.210 nan 0.000 0.391 271 V N 2.301 122.217 119.914 0.003 0.000 2.485 271 V HA -0.000 4.120 4.120 0.000 0.000 0.287 271 V C 0.159 176.255 176.094 0.003 0.000 1.022 271 V CA 0.096 62.396 62.300 0.000 0.000 1.067 271 V CB 0.152 31.969 31.823 -0.010 0.000 0.967 271 V HN 0.271 nan 8.190 nan 0.000 0.479 272 K N 4.720 125.121 120.400 0.002 0.000 2.307 272 K HA 0.704 5.024 4.320 0.000 0.000 0.263 272 K C -0.553 176.026 176.600 -0.034 0.000 0.973 272 K CA -0.460 55.826 56.287 -0.002 0.000 0.846 272 K CB 1.554 34.060 32.500 0.009 0.000 1.100 272 K HN 0.656 nan 8.250 nan 0.000 0.438 273 V N -0.295 119.567 119.914 -0.088 0.000 3.157 273 V HA 0.983 5.103 4.120 0.000 0.000 0.312 273 V C -1.436 174.388 176.094 -0.449 0.000 1.502 273 V CA -0.445 61.752 62.300 -0.172 0.000 0.997 273 V CB 1.075 32.828 31.823 -0.117 0.000 1.053 273 V HN 0.839 nan 8.190 nan 0.000 0.482 274 A N -0.936 121.558 122.820 -0.543 0.000 2.490 274 A HA 1.078 5.398 4.320 0.000 0.000 0.292 274 A C -0.679 176.646 177.584 -0.432 0.000 1.047 274 A CA -0.130 51.251 52.037 -1.094 0.000 0.632 274 A CB 0.442 18.639 19.000 -1.339 0.000 1.323 274 A HN 2.869 nan 8.150 nan 0.000 0.448 275 A N -1.015 121.668 122.820 -0.227 0.000 2.610 275 A HA 0.973 5.293 4.320 0.000 0.000 0.291 275 A C -0.769 176.934 177.584 0.198 0.000 1.086 275 A CA -0.005 52.058 52.037 0.044 0.000 0.677 275 A CB 0.974 20.012 19.000 0.063 0.000 1.278 275 A HN 2.463 nan 8.150 nan 0.000 0.414 276 V N -1.738 118.284 119.914 0.180 0.000 3.049 276 V HA 0.669 4.789 4.120 0.000 0.000 0.309 276 V C -0.475 175.716 176.094 0.161 0.000 1.148 276 V CA -1.252 61.172 62.300 0.207 0.000 0.990 276 V CB 1.402 33.372 31.823 0.245 0.000 1.039 276 V HN 0.968 nan 8.190 nan 0.000 0.430 277 K N 1.602 122.080 120.400 0.130 0.000 2.344 277 K HA 0.575 4.895 4.320 0.000 0.000 0.260 277 K C 0.333 176.937 176.600 0.006 0.000 0.988 277 K CA 0.513 56.840 56.287 0.067 0.000 0.909 277 K CB 0.591 33.121 32.500 0.050 0.000 0.968 277 K HN 1.144 nan 8.250 nan 0.000 0.505 278 A N 3.193 125.982 122.820 -0.052 0.000 2.331 278 A HA 0.347 4.667 4.320 0.000 0.000 0.283 278 A C -2.081 175.359 177.584 -0.240 0.000 1.142 278 A CA -1.524 50.410 52.037 -0.172 0.000 0.812 278 A CB 0.022 18.963 19.000 -0.098 0.000 1.074 278 A HN 0.490 nan 8.150 nan 0.000 0.497 279 P HA 0.358 nan 4.420 nan 0.000 0.272 279 P C 0.510 177.717 177.300 -0.154 0.000 1.240 279 P CA 1.158 64.037 63.100 -0.368 0.000 0.791 279 P CB 0.431 31.749 31.700 -0.637 0.000 0.978 280 G N 0.696 109.477 108.800 -0.033 0.000 2.801 280 G HA2 -0.059 3.901 3.960 0.000 0.000 0.686 280 G HA3 -0.059 3.901 3.960 0.000 0.000 0.686 280 G C -0.806 174.159 174.900 0.108 0.000 1.507 280 G CA -0.336 44.763 45.100 -0.001 0.000 0.980 280 G HN 0.619 nan 8.290 nan 0.000 0.589 281 F N 0.619 120.550 119.950 -0.032 0.000 2.529 281 F HA 0.829 5.356 4.527 0.000 0.000 0.320 281 F C 1.009 176.803 175.800 -0.010 0.000 1.118 281 F CA -0.345 57.644 58.000 -0.019 0.000 0.915 281 F CB 1.298 40.295 39.000 -0.006 0.000 1.161 281 F HN 2.246 nan 8.300 nan 0.000 0.445 282 G N 2.642 111.494 108.800 0.086 0.000 2.536 282 G HA2 -0.328 3.632 3.960 0.000 0.000 0.280 282 G HA3 -0.328 3.632 3.960 0.000 0.000 0.280 282 G C 0.555 175.424 174.900 -0.052 0.000 1.152 282 G CA 0.424 45.535 45.100 0.020 0.000 0.970 282 G HN 0.703 nan 8.290 nan 0.000 0.549 283 D N 0.572 120.926 120.400 -0.076 0.000 2.158 283 D HA -0.112 4.528 4.640 0.000 0.000 0.197 283 D C 2.455 178.688 176.300 -0.112 0.000 0.995 283 D CA 1.647 55.599 54.000 -0.080 0.000 0.846 283 D CB -0.128 40.626 40.800 -0.077 0.000 0.941 283 D HN 0.313 nan 8.370 nan 0.000 0.456 284 R N 0.987 121.378 120.500 -0.181 0.000 2.075 284 R HA -0.107 4.233 4.340 0.000 0.000 0.230 284 R C 2.383 178.604 176.300 -0.132 0.000 1.140 284 R CA 1.637 57.621 56.100 -0.194 0.000 0.928 284 R CB -0.479 29.634 30.300 -0.311 0.000 0.834 284 R HN 0.280 nan 8.270 nan 0.000 0.429 285 R N 0.968 121.401 120.500 -0.111 0.000 2.153 285 R HA -0.206 4.134 4.340 0.000 0.000 0.252 285 R C 1.475 177.736 176.300 -0.064 0.000 1.158 285 R CA 1.554 57.607 56.100 -0.078 0.000 0.975 285 R CB -0.459 29.816 30.300 -0.041 0.000 0.871 285 R HN 0.033 nan 8.270 nan 0.000 0.450 286 K N 1.219 121.586 120.400 -0.056 0.000 1.975 286 K HA -0.204 4.116 4.320 0.000 0.000 0.230 286 K C 2.328 178.903 176.600 -0.043 0.000 1.044 286 K CA 1.887 58.149 56.287 -0.042 0.000 1.022 286 K CB -1.045 31.431 32.500 -0.040 0.000 0.739 286 K HN 0.344 nan 8.250 nan 0.000 0.446 287 A N 2.239 125.029 122.820 -0.050 0.000 1.859 287 A HA -0.266 4.054 4.320 0.000 0.000 0.218 287 A C 2.309 179.866 177.584 -0.044 0.000 1.209 287 A CA 2.730 54.741 52.037 -0.045 0.000 0.639 287 A CB -0.639 18.329 19.000 -0.054 0.000 0.835 287 A HN 0.336 nan 8.150 nan 0.000 0.450 288 M N -1.553 118.010 119.600 -0.062 0.000 2.907 288 M HA -0.301 4.179 4.480 0.000 0.000 0.263 288 M C 2.222 178.494 176.300 -0.047 0.000 1.036 288 M CA 2.452 57.712 55.300 -0.066 0.000 1.047 288 M CB -1.597 30.940 32.600 -0.105 0.000 1.284 288 M HN 0.503 nan 8.290 nan 0.000 0.500 289 L N 0.469 121.661 121.223 -0.051 0.000 2.012 289 L HA -0.247 4.093 4.340 0.000 0.000 0.210 289 L C 2.577 179.445 176.870 -0.003 0.000 1.073 289 L CA 2.281 57.105 54.840 -0.027 0.000 0.748 289 L CB -0.947 41.096 42.059 -0.025 0.000 0.891 289 L HN 0.396 nan 8.230 nan 0.000 0.431 290 Q N 0.041 119.836 119.800 -0.009 0.000 2.096 290 Q HA -0.274 4.066 4.340 0.000 0.000 0.208 290 Q C 1.751 177.754 176.000 0.005 0.000 0.993 290 Q CA 2.539 58.341 55.803 -0.002 0.000 0.862 290 Q CB -0.600 28.133 28.738 -0.009 0.000 0.915 290 Q HN 0.669 nan 8.270 nan 0.000 0.416 291 D N -0.228 120.173 120.400 0.002 0.000 2.127 291 D HA -0.204 4.436 4.640 0.000 0.000 0.190 291 D C 1.863 178.178 176.300 0.026 0.000 1.000 291 D CA 2.000 56.006 54.000 0.011 0.000 0.839 291 D CB -0.336 40.470 40.800 0.009 0.000 0.955 291 D HN 0.373 nan 8.370 nan 0.000 0.446 292 I N 0.889 121.484 120.570 0.042 0.000 2.194 292 I HA -0.332 3.838 4.170 0.000 0.000 0.246 292 I C 2.464 178.608 176.117 0.046 0.000 1.093 292 I CA 1.137 62.475 61.300 0.064 0.000 1.355 292 I CB -0.434 37.627 38.000 0.102 0.000 1.046 292 I HN 0.005 nan 8.210 nan 0.000 0.413 293 A N 0.825 123.666 122.820 0.035 0.000 1.849 293 A HA -0.284 4.036 4.320 0.000 0.000 0.217 293 A C 2.386 179.984 177.584 0.023 0.000 1.202 293 A CA 2.937 54.992 52.037 0.029 0.000 0.629 293 A CB -1.374 17.639 19.000 0.021 0.000 0.834 293 A HN 0.413 nan 8.150 nan 0.000 0.447 294 T N 0.099 114.664 114.554 0.017 0.000 2.565 294 T HA -0.274 4.076 4.350 0.000 0.000 0.265 294 T C 1.830 176.538 174.700 0.012 0.000 1.082 294 T CA 1.959 64.066 62.100 0.012 0.000 1.173 294 T CB -0.680 68.194 68.868 0.009 0.000 0.864 294 T HN 0.355 nan 8.240 nan 0.000 0.425 295 L N 1.363 122.595 121.223 0.016 0.000 2.013 295 L HA -0.129 4.211 4.340 0.000 0.000 0.212 295 L C 2.695 179.570 176.870 0.008 0.000 1.073 295 L CA 2.593 57.440 54.840 0.012 0.000 0.753 295 L CB -1.249 40.822 42.059 0.018 0.000 0.890 295 L HN 0.564 nan 8.230 nan 0.000 0.432 296 T N -3.482 111.080 114.554 0.015 0.000 3.088 296 T HA 0.234 4.584 4.350 0.000 0.000 0.259 296 T C 1.329 176.033 174.700 0.008 0.000 1.122 296 T CA 0.395 62.500 62.100 0.008 0.000 1.095 296 T CB -0.538 68.341 68.868 0.020 0.000 0.930 296 T HN 0.786 nan 8.240 nan 0.000 0.508 297 G N 0.478 109.285 108.800 0.013 0.000 2.248 297 G HA2 0.107 4.067 3.960 0.000 0.000 0.263 297 G HA3 0.107 4.067 3.960 0.000 0.000 0.263 297 G C 0.196 175.111 174.900 0.026 0.000 1.082 297 G CA -0.252 44.857 45.100 0.015 0.000 0.863 297 G HN 1.047 nan 8.290 nan 0.000 0.495 298 G N -1.317 107.501 108.800 0.030 0.000 2.511 298 G HA2 0.777 4.737 3.960 0.000 0.000 0.318 298 G HA3 0.777 4.737 3.960 0.000 0.000 0.318 298 G C -0.270 174.649 174.900 0.031 0.000 1.210 298 G CA 0.053 45.177 45.100 0.039 0.000 0.969 298 G HN 0.556 nan 8.290 nan 0.000 0.484 299 T N 0.455 115.028 114.554 0.032 0.000 2.837 299 T HA 0.448 4.798 4.350 0.000 0.000 0.285 299 T C 0.393 175.106 174.700 0.022 0.000 0.984 299 T CA -0.284 61.829 62.100 0.023 0.000 1.049 299 T CB 1.350 70.230 68.868 0.020 0.000 0.947 299 T HN 0.797 nan 8.240 nan 0.000 0.472 300 V N 1.565 121.488 119.914 0.016 0.000 2.383 300 V HA 0.514 4.634 4.120 0.000 0.000 0.275 300 V C -0.187 175.914 176.094 0.011 0.000 1.036 300 V CA -0.964 61.345 62.300 0.014 0.000 0.889 300 V CB 0.070 31.898 31.823 0.010 0.000 0.985 300 V HN 0.653 nan 8.190 nan 0.000 0.459 301 I N 4.770 125.347 120.570 0.012 0.000 2.293 301 I HA 0.225 4.396 4.170 0.000 0.000 0.299 301 I C 0.832 176.953 176.117 0.007 0.000 1.153 301 I CA 0.837 62.143 61.300 0.009 0.000 1.302 301 I CB 0.042 38.048 38.000 0.010 0.000 1.460 301 I HN 0.669 nan 8.210 nan 0.000 0.552 302 S N 5.692 121.395 115.700 0.005 0.000 2.422 302 S HA 0.217 4.687 4.470 0.000 0.000 0.298 302 S C 1.186 175.788 174.600 0.004 0.000 1.118 302 S CA -0.704 57.498 58.200 0.004 0.000 1.083 302 S CB 1.026 64.227 63.200 0.001 0.000 0.971 302 S HN 0.450 nan 8.310 nan 0.000 0.478 303 E N 2.720 122.923 120.200 0.005 0.000 2.160 303 E HA -0.177 4.173 4.350 0.000 0.000 0.195 303 E C 0.682 177.284 176.600 0.003 0.000 0.991 303 E CA 1.042 57.445 56.400 0.004 0.000 0.810 303 E CB -0.071 29.632 29.700 0.006 0.000 0.742 303 E HN 0.741 nan 8.360 nan 0.000 0.466 304 E N 0.071 120.273 120.200 0.003 0.000 2.428 304 E HA 0.005 4.355 4.350 0.000 0.000 0.199 304 E C 0.986 177.586 176.600 0.001 0.000 1.172 304 E CA 0.085 56.486 56.400 0.002 0.000 0.941 304 E CB -0.053 29.648 29.700 0.001 0.000 1.001 304 E HN 0.287 nan 8.360 nan 0.000 0.501 305 I N -1.757 118.814 120.570 0.002 0.000 4.620 305 I HA 0.144 4.314 4.170 0.000 0.000 0.347 305 I C 1.310 177.428 176.117 0.002 0.000 1.302 305 I CA -0.019 61.282 61.300 0.001 0.000 1.277 305 I CB 1.073 39.074 38.000 0.001 0.000 1.566 305 I HN 0.244 nan 8.210 nan 0.000 0.547 306 G N 2.037 110.839 108.800 0.002 0.000 2.328 306 G HA2 -0.334 3.626 3.960 0.000 0.000 0.256 306 G HA3 -0.334 3.626 3.960 0.000 0.000 0.256 306 G C 0.516 175.417 174.900 0.002 0.000 1.014 306 G CA 0.152 45.253 45.100 0.002 0.000 0.620 306 G HN 0.306 nan 8.290 nan 0.000 0.530 307 M N 1.432 121.034 119.600 0.002 0.000 2.338 307 M HA 0.303 4.783 4.480 0.000 0.000 0.360 307 M C 0.541 176.843 176.300 0.003 0.000 1.547 307 M CA 0.872 56.173 55.300 0.002 0.000 1.001 307 M CB 0.422 33.024 32.600 0.003 0.000 2.008 307 M HN 0.415 nan 8.290 nan 0.000 0.464 308 E N 2.527 122.728 120.200 0.002 0.000 2.249 308 E HA 0.330 4.680 4.350 0.000 0.000 0.263 308 E C 0.281 176.881 176.600 0.001 0.000 0.950 308 E CA -0.677 55.724 56.400 0.002 0.000 0.827 308 E CB 1.383 31.083 29.700 0.001 0.000 1.220 308 E HN 0.715 nan 8.360 nan 0.000 0.411 309 L N 1.371 122.595 121.223 0.001 0.000 1.994 309 L HA -0.170 4.170 4.340 0.000 0.000 0.208 309 L C 2.126 178.993 176.870 -0.005 0.000 1.071 309 L CA 1.377 56.217 54.840 -0.001 0.000 0.745 309 L CB -0.478 41.582 42.059 0.001 0.000 0.892 309 L HN 0.666 nan 8.230 nan 0.000 0.431 310 E N 0.394 120.591 120.200 -0.005 0.000 2.219 310 E HA -0.207 4.143 4.350 0.000 0.000 0.198 310 E C 0.522 177.116 176.600 -0.009 0.000 0.998 310 E CA 1.005 57.400 56.400 -0.008 0.000 0.818 310 E CB -0.070 29.627 29.700 -0.006 0.000 0.741 310 E HN 0.253 nan 8.360 nan 0.000 0.477 311 K N 0.617 121.014 120.400 -0.006 0.000 2.758 311 K HA 0.352 4.672 4.320 0.000 0.000 0.250 311 K C -0.978 175.618 176.600 -0.006 0.000 1.268 311 K CA -0.087 56.197 56.287 -0.006 0.000 1.228 311 K CB 1.167 33.665 32.500 -0.003 0.000 1.715 311 K HN 0.050 nan 8.250 nan 0.000 0.334 312 A N -0.001 122.813 122.820 -0.010 0.000 2.513 312 A HA 0.639 4.959 4.320 0.000 0.000 0.296 312 A C -0.593 176.978 177.584 -0.021 0.000 1.052 312 A CA -0.693 51.337 52.037 -0.011 0.000 0.714 312 A CB 1.193 20.189 19.000 -0.007 0.000 1.279 312 A HN 0.225 nan 8.150 nan 0.000 0.397 313 T N 1.798 116.340 114.554 -0.019 0.000 2.940 313 T HA 0.461 4.811 4.350 0.000 0.000 0.288 313 T C 1.309 175.992 174.700 -0.029 0.000 1.045 313 T CA -0.527 61.554 62.100 -0.032 0.000 1.018 313 T CB 0.921 69.776 68.868 -0.022 0.000 1.151 313 T HN 0.438 nan 8.240 nan 0.000 0.529 314 L N 1.124 122.314 121.223 -0.054 0.000 2.089 314 L HA -0.178 4.162 4.340 0.000 0.000 0.213 314 L C 2.538 179.440 176.870 0.054 0.000 1.079 314 L CA 1.798 56.618 54.840 -0.033 0.000 0.758 314 L CB -1.174 40.840 42.059 -0.076 0.000 0.891 314 L HN 0.849 nan 8.230 nan 0.000 0.433 315 E N -0.846 119.377 120.200 0.037 0.000 2.448 315 E HA -0.249 4.101 4.350 0.000 0.000 0.203 315 E C 0.800 177.426 176.600 0.043 0.000 1.046 315 E CA 1.462 57.888 56.400 0.044 0.000 0.871 315 E CB -0.388 29.328 29.700 0.026 0.000 0.790 315 E HN 0.610 nan 8.360 nan 0.000 0.545 316 D N 0.109 120.532 120.400 0.039 0.000 2.388 316 D HA 0.084 4.724 4.640 0.000 0.000 0.208 316 D C 0.386 176.718 176.300 0.054 0.000 1.035 316 D CA -0.021 54.000 54.000 0.036 0.000 0.875 316 D CB 0.297 41.109 40.800 0.021 0.000 0.984 316 D HN 0.104 nan 8.370 nan 0.000 0.508 317 L N 0.939 122.211 121.223 0.082 0.000 2.472 317 L HA 0.358 4.698 4.340 0.000 0.000 0.260 317 L C 1.419 178.360 176.870 0.119 0.000 1.209 317 L CA 0.121 55.032 54.840 0.119 0.000 0.817 317 L CB 0.468 42.648 42.059 0.202 0.000 1.106 317 L HN -0.146 nan 8.230 nan 0.000 0.479 318 G N -0.341 108.519 108.800 0.101 0.000 2.613 318 G HA2 0.698 4.658 3.960 0.000 0.000 0.303 318 G HA3 0.698 4.658 3.960 0.000 0.000 0.303 318 G C -1.190 173.728 174.900 0.031 0.000 1.312 318 G CA -0.348 44.787 45.100 0.059 0.000 1.036 318 G HN 0.483 nan 8.290 nan 0.000 0.513 319 Q N -1.766 118.022 119.800 -0.019 0.000 2.426 319 Q HA 0.576 4.916 4.340 0.000 0.000 0.278 319 Q C -1.237 174.719 176.000 -0.074 0.000 1.007 319 Q CA -0.786 54.964 55.803 -0.088 0.000 0.850 319 Q CB 2.603 31.240 28.738 -0.168 0.000 1.427 319 Q HN 0.921 nan 8.270 nan 0.000 0.391 320 A N 0.860 123.624 122.820 -0.093 0.000 2.606 320 A HA 0.457 4.777 4.320 0.000 0.000 0.293 320 A C -0.503 177.028 177.584 -0.089 0.000 1.082 320 A CA -0.644 51.349 52.037 -0.073 0.000 0.685 320 A CB 1.407 20.376 19.000 -0.052 0.000 1.284 320 A HN 0.720 nan 8.150 nan 0.000 0.408 321 K N -0.167 120.190 120.400 -0.073 0.000 2.288 321 K HA 0.067 4.387 4.320 0.000 0.000 0.201 321 K C 0.545 177.107 176.600 -0.063 0.000 1.048 321 K CA 1.032 57.276 56.287 -0.071 0.000 0.956 321 K CB 0.118 32.584 32.500 -0.057 0.000 0.746 321 K HN 0.555 nan 8.250 nan 0.000 0.461 322 R N -0.921 119.545 120.500 -0.056 0.000 2.733 322 R HA 0.500 4.840 4.340 0.000 0.000 0.272 322 R C -1.942 174.328 176.300 -0.049 0.000 1.029 322 R CA -0.754 55.317 56.100 -0.049 0.000 0.888 322 R CB 2.619 32.894 30.300 -0.042 0.000 1.251 322 R HN -0.118 nan 8.270 nan 0.000 0.464 323 V N 1.193 121.080 119.914 -0.044 0.000 2.971 323 V HA 0.503 4.623 4.120 0.000 0.000 0.281 323 V C -1.879 174.193 176.094 -0.037 0.000 1.470 323 V CA -0.563 61.707 62.300 -0.050 0.000 0.966 323 V CB 2.090 33.883 31.823 -0.049 0.000 1.156 323 V HN 0.606 nan 8.190 nan 0.000 0.441 324 V N 4.574 124.462 119.914 -0.043 0.000 2.760 324 V HA 0.882 5.002 4.120 0.000 0.000 0.309 324 V C -1.131 174.959 176.094 -0.008 0.000 1.077 324 V CA -0.673 61.619 62.300 -0.013 0.000 0.910 324 V CB 1.816 33.633 31.823 -0.009 0.000 1.008 324 V HN 0.760 nan 8.190 nan 0.000 0.424 325 I N 5.011 125.613 120.570 0.054 0.000 2.569 325 I HA 0.629 4.799 4.170 0.000 0.000 0.296 325 I C -0.011 176.208 176.117 0.171 0.000 1.028 325 I CA -0.278 61.078 61.300 0.093 0.000 1.082 325 I CB 2.115 40.216 38.000 0.169 0.000 1.264 325 I HN 1.000 nan 8.210 nan 0.000 0.429 326 N N 4.322 123.082 118.700 0.100 0.000 2.890 326 N HA 0.301 5.041 4.740 0.000 0.000 0.317 326 N C 0.677 176.099 175.510 -0.147 0.000 1.355 326 N CA -0.760 52.361 53.050 0.118 0.000 0.803 326 N CB 0.994 39.518 38.487 0.062 0.000 1.465 326 N HN 0.549 nan 8.380 nan 0.000 0.591 327 K N -0.539 119.790 120.400 -0.119 0.000 2.184 327 K HA -0.239 4.081 4.320 0.000 0.000 0.210 327 K C -0.577 175.706 176.600 -0.527 0.000 1.048 327 K CA 2.725 58.767 56.287 -0.407 0.000 0.931 327 K CB -0.335 32.124 32.500 -0.069 0.000 0.718 327 K HN 0.799 nan 8.250 nan 0.000 0.465 328 D N -1.854 118.383 120.400 -0.271 0.000 3.285 328 D HA 0.092 4.732 4.640 0.000 0.000 0.314 328 D C -1.146 175.121 176.300 -0.056 0.000 1.601 328 D CA -0.454 53.447 54.000 -0.165 0.000 0.772 328 D CB 0.131 40.873 40.800 -0.097 0.000 1.312 328 D HN -0.037 nan 8.370 nan 0.000 0.550 329 T N -0.077 114.445 114.554 -0.052 0.000 3.578 329 T HA 0.476 4.826 4.350 0.000 0.000 0.343 329 T C -0.875 173.787 174.700 -0.063 0.000 1.126 329 T CA -0.398 61.692 62.100 -0.016 0.000 1.092 329 T CB 1.968 70.829 68.868 -0.012 0.000 1.160 329 T HN -0.039 nan 8.240 nan 0.000 0.469 330 T N 2.363 116.825 114.554 -0.154 0.000 2.859 330 T HA 0.792 5.142 4.350 0.000 0.000 0.281 330 T C -0.287 174.108 174.700 -0.507 0.000 1.005 330 T CA -0.605 61.306 62.100 -0.314 0.000 1.025 330 T CB 1.755 70.400 68.868 -0.371 0.000 0.977 330 T HN 0.651 nan 8.240 nan 0.000 0.458 331 T N 2.570 116.923 114.554 -0.334 0.000 3.032 331 T HA 0.612 4.962 4.350 0.000 0.000 0.312 331 T C -0.912 173.675 174.700 -0.188 0.000 1.078 331 T CA -0.858 61.074 62.100 -0.281 0.000 1.028 331 T CB 0.322 69.088 68.868 -0.170 0.000 1.091 331 T HN 0.616 nan 8.240 nan 0.000 0.457 332 I N 2.396 122.866 120.570 -0.167 0.000 2.607 332 I HA 0.735 4.905 4.170 0.000 0.000 0.305 332 I C -0.938 175.136 176.117 -0.072 0.000 0.995 332 I CA -1.333 59.907 61.300 -0.099 0.000 1.148 332 I CB 1.805 39.761 38.000 -0.074 0.000 1.323 332 I HN 0.559 nan 8.210 nan 0.000 0.461 333 I N 3.418 123.953 120.570 -0.057 0.000 2.439 333 I HA 0.272 4.442 4.170 0.000 0.000 0.283 333 I C -1.077 175.014 176.117 -0.043 0.000 1.023 333 I CA -0.259 61.012 61.300 -0.048 0.000 1.100 333 I CB 1.318 39.290 38.000 -0.047 0.000 1.238 333 I HN 0.749 nan 8.210 nan 0.000 0.445 334 D N 5.165 125.543 120.400 -0.037 0.000 3.830 334 D HA -0.109 4.531 4.640 0.000 0.000 0.247 334 D C 0.055 176.334 176.300 -0.036 0.000 1.073 334 D CA 0.908 54.888 54.000 -0.034 0.000 1.116 334 D CB -0.180 40.599 40.800 -0.036 0.000 0.909 334 D HN 0.776 nan 8.370 nan 0.000 0.418 335 G N 0.901 109.685 108.800 -0.027 0.000 2.503 335 G HA2 0.422 4.382 3.960 0.000 0.000 0.257 335 G HA3 0.422 4.382 3.960 0.000 0.000 0.257 335 G C 1.353 176.238 174.900 -0.026 0.000 1.214 335 G CA -0.217 44.868 45.100 -0.025 0.000 0.839 335 G HN 0.432 nan 8.290 nan 0.000 0.559 336 V N 1.783 121.678 119.914 -0.030 0.000 3.573 336 V HA 0.114 4.234 4.120 0.000 0.000 0.270 336 V C 1.970 178.055 176.094 -0.016 0.000 1.221 336 V CA 0.420 62.703 62.300 -0.029 0.000 1.163 336 V CB -0.862 30.937 31.823 -0.040 0.000 0.847 336 V HN 0.808 nan 8.190 nan 0.000 0.468 337 G N 1.268 110.062 108.800 -0.010 0.000 2.265 337 G HA2 0.050 4.010 3.960 0.000 0.000 0.240 337 G HA3 0.050 4.010 3.960 0.000 0.000 0.240 337 G C 0.068 174.965 174.900 -0.004 0.000 1.270 337 G CA -0.200 44.898 45.100 -0.003 0.000 0.901 337 G HN 0.317 nan 8.290 nan 0.000 0.507 338 E N 2.313 122.511 120.200 -0.002 0.000 2.480 338 E HA -0.034 4.316 4.350 0.000 0.000 0.258 338 E C 1.266 177.864 176.600 -0.003 0.000 0.984 338 E CA -0.130 56.269 56.400 -0.003 0.000 0.930 338 E CB 0.805 30.504 29.700 -0.001 0.000 0.936 338 E HN 0.558 nan 8.360 nan 0.000 0.466 339 E N 2.700 122.898 120.200 -0.004 0.000 2.097 339 E HA -0.251 4.099 4.350 0.000 0.000 0.196 339 E C 1.769 178.367 176.600 -0.003 0.000 1.000 339 E CA 1.543 57.940 56.400 -0.004 0.000 0.804 339 E CB -0.280 29.417 29.700 -0.005 0.000 0.740 339 E HN 0.612 nan 8.360 nan 0.000 0.454 340 A N 1.772 124.590 122.820 -0.003 0.000 1.884 340 A HA -0.224 4.096 4.320 0.000 0.000 0.219 340 A C 2.475 180.058 177.584 -0.002 0.000 1.197 340 A CA 2.884 54.919 52.037 -0.002 0.000 0.637 340 A CB -0.938 18.061 19.000 -0.002 0.000 0.827 340 A HN 0.315 nan 8.150 nan 0.000 0.450 341 A N -0.061 122.759 122.820 -0.001 0.000 1.834 341 A HA -0.126 4.194 4.320 0.000 0.000 0.216 341 A C 2.143 179.726 177.584 -0.000 0.000 1.203 341 A CA 1.684 53.721 52.037 -0.000 0.000 0.621 341 A CB -0.888 18.113 19.000 0.001 0.000 0.841 341 A HN 0.527 nan 8.150 nan 0.000 0.446 342 I N -0.365 120.205 120.570 -0.000 0.000 2.053 342 I HA -0.385 3.785 4.170 0.000 0.000 0.236 342 I C 2.838 178.954 176.117 -0.001 0.000 1.038 342 I CA 1.873 63.173 61.300 0.000 0.000 1.304 342 I CB -0.709 37.291 38.000 -0.001 0.000 1.023 342 I HN 0.391 nan 8.210 nan 0.000 0.395 343 Q N 0.776 120.575 119.800 -0.002 0.000 2.077 343 Q HA -0.196 4.144 4.340 0.000 0.000 0.206 343 Q C 2.338 178.336 176.000 -0.003 0.000 0.989 343 Q CA 2.058 57.859 55.803 -0.003 0.000 0.853 343 Q CB -1.207 27.529 28.738 -0.003 0.000 0.907 343 Q HN 0.696 nan 8.270 nan 0.000 0.418 344 G N 0.953 109.752 108.800 -0.003 0.000 2.446 344 G HA2 -0.336 3.624 3.960 0.000 0.000 0.217 344 G HA3 -0.336 3.624 3.960 0.000 0.000 0.217 344 G C 1.648 176.545 174.900 -0.004 0.000 1.168 344 G CA 1.053 46.151 45.100 -0.003 0.000 0.771 344 G HN 0.292 nan 8.290 nan 0.000 0.551 345 R N 0.269 120.767 120.500 -0.004 0.000 2.117 345 R HA -0.072 4.268 4.340 0.000 0.000 0.243 345 R C 2.622 178.918 176.300 -0.007 0.000 1.143 345 R CA 1.583 57.680 56.100 -0.005 0.000 0.968 345 R CB -0.839 29.459 30.300 -0.003 0.000 0.863 345 R HN 0.262 nan 8.270 nan 0.000 0.444 346 V N 0.677 120.588 119.914 -0.006 0.000 2.255 346 V HA -0.284 3.836 4.120 0.000 0.000 0.247 346 V C 2.402 178.491 176.094 -0.008 0.000 1.051 346 V CA 2.045 64.341 62.300 -0.007 0.000 1.018 346 V CB -1.266 30.553 31.823 -0.005 0.000 0.641 346 V HN 0.552 nan 8.190 nan 0.000 0.445 347 A N -0.434 122.382 122.820 -0.007 0.000 1.896 347 A HA -0.394 3.926 4.320 0.000 0.000 0.220 347 A C 2.159 179.738 177.584 -0.008 0.000 1.206 347 A CA 2.694 54.727 52.037 -0.007 0.000 0.647 347 A CB -0.726 18.271 19.000 -0.006 0.000 0.828 347 A HN 0.689 nan 8.150 nan 0.000 0.455 348 Q N -0.565 119.230 119.800 -0.009 0.000 1.967 348 Q HA -0.212 4.128 4.340 0.000 0.000 0.210 348 Q C 2.170 178.162 176.000 -0.013 0.000 1.005 348 Q CA 1.959 57.756 55.803 -0.010 0.000 0.862 348 Q CB -0.492 28.240 28.738 -0.010 0.000 0.939 348 Q HN 0.751 nan 8.270 nan 0.000 0.417 349 I N 0.434 120.995 120.570 -0.015 0.000 2.113 349 I HA -0.350 3.820 4.170 0.000 0.000 0.242 349 I C 2.532 178.638 176.117 -0.019 0.000 1.064 349 I CA 1.103 62.391 61.300 -0.020 0.000 1.320 349 I CB -0.478 37.510 38.000 -0.021 0.000 1.028 349 I HN 0.220 nan 8.210 nan 0.000 0.406 350 R N 0.626 121.117 120.500 -0.015 0.000 2.136 350 R HA -0.284 4.056 4.340 0.000 0.000 0.242 350 R C 2.136 178.429 176.300 -0.013 0.000 1.131 350 R CA 1.949 58.042 56.100 -0.013 0.000 0.937 350 R CB -1.204 29.090 30.300 -0.010 0.000 0.863 350 R HN 0.552 nan 8.270 nan 0.000 0.435 351 Q N 0.860 120.654 119.800 -0.011 0.000 1.998 351 Q HA -0.260 4.080 4.340 0.000 0.000 0.209 351 Q C 2.130 178.123 176.000 -0.012 0.000 1.002 351 Q CA 2.248 58.045 55.803 -0.010 0.000 0.858 351 Q CB -0.115 28.617 28.738 -0.009 0.000 0.932 351 Q HN 0.454 nan 8.270 nan 0.000 0.416 352 Q N -0.057 119.734 119.800 -0.015 0.000 2.224 352 Q HA -0.230 4.110 4.340 0.000 0.000 0.213 352 Q C 2.054 178.042 176.000 -0.020 0.000 0.998 352 Q CA 1.929 57.721 55.803 -0.019 0.000 0.895 352 Q CB -0.440 28.283 28.738 -0.024 0.000 0.926 352 Q HN 0.560 nan 8.270 nan 0.000 0.417 353 I N 1.377 121.935 120.570 -0.021 0.000 2.700 353 I HA -0.261 3.909 4.170 0.000 0.000 0.261 353 I C 2.423 178.532 176.117 -0.014 0.000 1.219 353 I CA 1.080 62.368 61.300 -0.021 0.000 1.463 353 I CB -0.752 37.236 38.000 -0.020 0.000 1.092 353 I HN 0.361 nan 8.210 nan 0.000 0.452 354 E N 1.635 121.828 120.200 -0.012 0.000 2.097 354 E HA -0.304 4.046 4.350 0.000 0.000 0.196 354 E C 1.657 178.253 176.600 -0.007 0.000 1.000 354 E CA 1.614 58.009 56.400 -0.008 0.000 0.804 354 E CB -0.379 29.317 29.700 -0.007 0.000 0.740 354 E HN 0.445 nan 8.360 nan 0.000 0.454 355 E N 1.336 121.531 120.200 -0.008 0.000 2.086 355 E HA -0.164 4.186 4.350 0.000 0.000 0.200 355 E C 1.354 177.952 176.600 -0.003 0.000 1.012 355 E CA 1.776 58.172 56.400 -0.006 0.000 0.812 355 E CB -0.566 29.129 29.700 -0.009 0.000 0.743 355 E HN 0.527 nan 8.360 nan 0.000 0.453 356 A N -0.190 122.627 122.820 -0.005 0.000 2.744 356 A HA -0.306 4.014 4.320 0.000 0.000 0.300 356 A C 1.317 178.906 177.584 0.007 0.000 1.512 356 A CA 1.350 53.387 52.037 -0.000 0.000 0.851 356 A CB -2.371 16.629 19.000 0.001 0.000 0.987 356 A HN 0.274 nan 8.150 nan 0.000 0.507 357 T N -0.592 113.967 114.554 0.008 0.000 3.155 357 T HA 0.306 4.656 4.350 0.000 0.000 0.264 357 T C 0.589 175.305 174.700 0.027 0.000 1.160 357 T CA 1.380 63.489 62.100 0.014 0.000 1.075 357 T CB -0.314 68.561 68.868 0.012 0.000 0.921 357 T HN 1.459 nan 8.240 nan 0.000 0.533 358 S N -0.422 115.298 115.700 0.034 0.000 2.580 358 S HA 0.203 4.673 4.470 0.000 0.000 0.281 358 S C -1.118 173.521 174.600 0.064 0.000 1.129 358 S CA -0.756 57.480 58.200 0.060 0.000 0.862 358 S CB 1.044 64.303 63.200 0.099 0.000 1.090 358 S HN 0.023 nan 8.310 nan 0.000 0.451 359 D N 1.229 121.677 120.400 0.079 0.000 2.363 359 D HA 0.112 4.752 4.640 0.000 0.000 0.220 359 D C 0.921 177.295 176.300 0.124 0.000 0.994 359 D CA 0.662 54.708 54.000 0.075 0.000 0.890 359 D CB 0.036 40.874 40.800 0.063 0.000 0.906 359 D HN 0.509 nan 8.370 nan 0.000 0.530 360 Y N 1.094 121.391 120.300 -0.005 0.000 2.266 360 Y HA 0.018 4.568 4.550 0.000 0.000 0.294 360 Y C 1.221 177.112 175.900 -0.014 0.000 1.127 360 Y CA 1.057 59.153 58.100 -0.007 0.000 1.140 360 Y CB -0.100 38.357 38.460 -0.006 0.000 1.071 360 Y HN -0.208 nan 8.280 nan 0.000 0.525 361 D N 0.013 120.400 120.400 -0.021 0.000 2.097 361 D HA -0.141 4.499 4.640 0.000 0.000 0.195 361 D C 2.188 178.425 176.300 -0.105 0.000 0.989 361 D CA 1.561 55.488 54.000 -0.121 0.000 0.827 361 D CB -0.279 40.508 40.800 -0.022 0.000 0.966 361 D HN 0.215 nan 8.370 nan 0.000 0.456 362 R N 0.564 121.037 120.500 -0.044 0.000 2.092 362 R HA -0.130 4.210 4.340 0.000 0.000 0.231 362 R C 2.088 178.359 176.300 -0.049 0.000 1.119 362 R CA 1.232 57.311 56.100 -0.035 0.000 0.970 362 R CB -0.007 30.288 30.300 -0.008 0.000 0.864 362 R HN 0.237 nan 8.270 nan 0.000 0.440 363 E N 0.263 120.433 120.200 -0.049 0.000 2.077 363 E HA -0.235 4.115 4.350 0.000 0.000 0.193 363 E C 1.600 178.137 176.600 -0.105 0.000 0.989 363 E CA 1.231 57.601 56.400 -0.050 0.000 0.800 363 E CB 0.166 29.859 29.700 -0.012 0.000 0.746 363 E HN 0.013 nan 8.360 nan 0.000 0.452 364 K N 0.746 121.026 120.400 -0.200 0.000 1.963 364 K HA -0.102 4.218 4.320 0.000 0.000 0.216 364 K C 2.156 178.671 176.600 -0.142 0.000 1.045 364 K CA 1.474 57.617 56.287 -0.240 0.000 0.954 364 K CB -0.765 31.506 32.500 -0.382 0.000 0.732 364 K HN 0.119 nan 8.250 nan 0.000 0.442 365 L N 0.686 121.835 121.223 -0.125 0.000 2.054 365 L HA -0.365 3.975 4.340 0.000 0.000 0.220 365 L C 2.617 179.451 176.870 -0.060 0.000 1.081 365 L CA 1.719 56.510 54.840 -0.082 0.000 0.780 365 L CB -0.708 41.312 42.059 -0.065 0.000 0.893 365 L HN 0.350 nan 8.230 nan 0.000 0.438 366 Q N 0.534 120.301 119.800 -0.056 0.000 1.956 366 Q HA -0.255 4.085 4.340 0.000 0.000 0.208 366 Q C 1.990 177.971 176.000 -0.032 0.000 0.998 366 Q CA 2.208 57.990 55.803 -0.037 0.000 0.855 366 Q CB -0.255 28.465 28.738 -0.031 0.000 0.928 366 Q HN 0.456 nan 8.270 nan 0.000 0.418 367 E N -0.365 119.812 120.200 -0.038 0.000 2.108 367 E HA -0.308 4.042 4.350 0.000 0.000 0.203 367 E C 2.138 178.727 176.600 -0.018 0.000 1.022 367 E CA 1.651 58.036 56.400 -0.025 0.000 0.823 367 E CB -0.260 29.419 29.700 -0.035 0.000 0.744 367 E HN 0.285 nan 8.360 nan 0.000 0.456 368 R N 0.384 120.865 120.500 -0.031 0.000 2.080 368 R HA -0.156 4.184 4.340 0.000 0.000 0.236 368 R C 2.543 178.837 176.300 -0.011 0.000 1.137 368 R CA 1.568 57.655 56.100 -0.021 0.000 0.943 368 R CB -0.690 29.588 30.300 -0.037 0.000 0.846 368 R HN 0.061 nan 8.270 nan 0.000 0.431 369 V N 1.419 121.323 119.914 -0.017 0.000 2.278 369 V HA -0.349 3.771 4.120 0.000 0.000 0.251 369 V C 2.486 178.577 176.094 -0.005 0.000 1.062 369 V CA 2.084 64.377 62.300 -0.011 0.000 1.038 369 V CB -1.004 30.811 31.823 -0.014 0.000 0.646 369 V HN 0.486 nan 8.190 nan 0.000 0.447 370 A N -0.035 122.783 122.820 -0.004 0.000 1.837 370 A HA -0.253 4.067 4.320 0.000 0.000 0.216 370 A C 2.271 179.859 177.584 0.008 0.000 1.210 370 A CA 2.182 54.220 52.037 0.002 0.000 0.632 370 A CB -0.691 18.311 19.000 0.003 0.000 0.843 370 A HN 0.422 nan 8.150 nan 0.000 0.448 371 K N -0.774 119.636 120.400 0.016 0.000 2.049 371 K HA -0.241 4.079 4.320 0.000 0.000 0.219 371 K C 1.928 178.541 176.600 0.022 0.000 1.056 371 K CA 1.837 58.141 56.287 0.028 0.000 0.946 371 K CB -1.241 31.289 32.500 0.050 0.000 0.723 371 K HN 0.436 nan 8.250 nan 0.000 0.453 372 L N 0.579 121.813 121.223 0.018 0.000 1.937 372 L HA -0.117 4.223 4.340 0.000 0.000 0.213 372 L C 2.297 179.171 176.870 0.006 0.000 1.077 372 L CA 2.434 57.282 54.840 0.014 0.000 0.758 372 L CB -1.079 40.986 42.059 0.010 0.000 0.888 372 L HN 0.236 nan 8.230 nan 0.000 0.433 373 A N -0.846 121.975 122.820 0.002 0.000 2.067 373 A HA 0.005 4.325 4.320 0.000 0.000 0.219 373 A C 2.228 179.812 177.584 -0.001 0.000 1.158 373 A CA 1.258 53.294 52.037 -0.001 0.000 0.661 373 A CB -1.477 17.522 19.000 -0.002 0.000 0.801 373 A HN 0.609 nan 8.150 nan 0.000 0.452 374 G N -0.597 108.203 108.800 0.000 0.000 2.422 374 G HA2 0.327 4.287 3.960 0.000 0.000 0.218 374 G HA3 0.327 4.287 3.960 0.000 0.000 0.218 374 G C 1.153 176.052 174.900 -0.003 0.000 1.146 374 G CA 0.731 45.831 45.100 -0.001 0.000 0.769 374 G HN 1.728 nan 8.290 nan 0.000 0.547 375 G N -1.922 106.876 108.800 -0.003 0.000 2.846 375 G HA2 0.045 4.005 3.960 0.000 0.000 0.660 375 G HA3 0.045 4.005 3.960 0.000 0.000 0.660 375 G C -0.699 174.194 174.900 -0.012 0.000 1.464 375 G CA -0.361 44.734 45.100 -0.008 0.000 0.891 375 G HN 1.006 nan 8.290 nan 0.000 0.552 376 V N 0.980 120.884 119.914 -0.018 0.000 2.443 376 V HA 0.718 4.838 4.120 0.000 0.000 0.293 376 V C 0.833 176.912 176.094 -0.024 0.000 1.021 376 V CA -0.089 62.196 62.300 -0.024 0.000 0.848 376 V CB 1.172 32.975 31.823 -0.033 0.000 0.998 376 V HN 2.015 nan 8.190 nan 0.000 0.424 377 A N 4.939 127.744 122.820 -0.024 0.000 2.363 377 A HA 0.779 5.099 4.320 0.000 0.000 0.270 377 A C -0.043 177.525 177.584 -0.027 0.000 1.121 377 A CA -0.230 51.793 52.037 -0.023 0.000 0.800 377 A CB 0.920 19.908 19.000 -0.021 0.000 1.052 377 A HN 1.436 nan 8.150 nan 0.000 0.493 378 V N 0.649 120.548 119.914 -0.026 0.000 3.046 378 V HA 0.876 4.996 4.120 0.000 0.000 0.316 378 V C -0.443 175.636 176.094 -0.025 0.000 1.104 378 V CA -0.917 61.366 62.300 -0.028 0.000 1.006 378 V CB 1.588 33.394 31.823 -0.028 0.000 1.058 378 V HN 0.726 nan 8.190 nan 0.000 0.440 379 I N 1.319 121.874 120.570 -0.025 0.000 2.769 379 I HA 0.552 4.722 4.170 0.000 0.000 0.298 379 I C -0.632 175.473 176.117 -0.020 0.000 1.128 379 I CA -0.786 60.501 61.300 -0.022 0.000 1.031 379 I CB 2.687 40.673 38.000 -0.023 0.000 1.235 379 I HN 0.648 nan 8.210 nan 0.000 0.423 380 K N 4.847 125.237 120.400 -0.017 0.000 2.527 380 K HA 0.391 4.711 4.320 0.000 0.000 0.240 380 K C -1.032 175.560 176.600 -0.013 0.000 0.989 380 K CA -0.633 55.644 56.287 -0.015 0.000 0.985 380 K CB 1.998 34.489 32.500 -0.015 0.000 1.221 380 K HN 0.281 nan 8.250 nan 0.000 0.458 381 V N 2.732 122.639 119.914 -0.012 0.000 2.452 381 V HA -0.025 4.095 4.120 0.000 0.000 0.286 381 V C 1.043 177.132 176.094 -0.009 0.000 0.995 381 V CA 0.098 62.392 62.300 -0.010 0.000 1.116 381 V CB -0.022 31.795 31.823 -0.009 0.000 0.954 381 V HN 0.818 nan 8.190 nan 0.000 0.473 382 G N 3.805 112.600 108.800 -0.008 0.000 2.444 382 G HA2 0.680 4.640 3.960 0.000 0.000 0.268 382 G HA3 0.680 4.640 3.960 0.000 0.000 0.268 382 G C -0.260 174.636 174.900 -0.006 0.000 1.203 382 G CA 0.301 45.396 45.100 -0.007 0.000 0.835 382 G HN 1.299 nan 8.290 nan 0.000 0.543 383 A N 0.208 123.024 122.820 -0.006 0.000 2.597 383 A HA 0.764 5.084 4.320 0.000 0.000 0.292 383 A C 0.643 178.224 177.584 -0.005 0.000 1.057 383 A CA 0.332 52.366 52.037 -0.005 0.000 0.674 383 A CB 0.617 19.614 19.000 -0.005 0.000 1.278 383 A HN 1.747 nan 8.150 nan 0.000 0.416 384 A N 0.269 123.087 122.820 -0.004 0.000 1.840 384 A HA 0.352 4.673 4.320 0.000 0.000 0.214 384 A C 1.473 179.054 177.584 -0.004 0.000 1.198 384 A CA 2.366 54.401 52.037 -0.004 0.000 0.608 384 A CB -0.747 18.251 19.000 -0.003 0.000 0.839 384 A HN 1.669 nan 8.150 nan 0.000 0.443 385 T N -1.801 112.751 114.554 -0.004 0.000 2.934 385 T HA 0.312 4.662 4.350 0.000 0.000 0.283 385 T C 0.850 175.548 174.700 -0.004 0.000 1.005 385 T CA 0.058 62.156 62.100 -0.004 0.000 1.041 385 T CB 1.430 70.296 68.868 -0.003 0.000 1.042 385 T HN 0.446 nan 8.240 nan 0.000 0.505 386 E N 1.839 122.037 120.200 -0.004 0.000 2.204 386 E HA -0.084 4.266 4.350 0.000 0.000 0.195 386 E C 1.714 178.311 176.600 -0.004 0.000 0.990 386 E CA 0.980 57.377 56.400 -0.004 0.000 0.821 386 E CB 0.048 29.746 29.700 -0.005 0.000 0.750 386 E HN 0.552 nan 8.360 nan 0.000 0.477 387 V N 1.284 121.196 119.914 -0.003 0.000 2.221 387 V HA -0.273 3.847 4.120 0.000 0.000 0.240 387 V C 2.451 178.543 176.094 -0.002 0.000 1.041 387 V CA 2.236 64.534 62.300 -0.003 0.000 0.991 387 V CB -0.878 30.944 31.823 -0.002 0.000 0.634 387 V HN 0.409 nan 8.190 nan 0.000 0.450 388 E N -0.242 119.956 120.200 -0.002 0.000 2.108 388 E HA -0.346 4.004 4.350 0.000 0.000 0.203 388 E C 2.203 178.801 176.600 -0.003 0.000 1.022 388 E CA 2.292 58.691 56.400 -0.002 0.000 0.823 388 E CB -0.253 29.446 29.700 -0.003 0.000 0.744 388 E HN 0.402 nan 8.360 nan 0.000 0.456 389 M N 1.265 120.863 119.600 -0.003 0.000 2.800 389 M HA -0.266 4.214 4.480 0.000 0.000 0.271 389 M C 1.967 178.265 176.300 -0.004 0.000 1.059 389 M CA 2.209 57.507 55.300 -0.004 0.000 1.071 389 M CB -0.760 31.837 32.600 -0.005 0.000 1.227 389 M HN 0.043 nan 8.290 nan 0.000 0.505 390 K N -0.374 120.024 120.400 -0.003 0.000 2.281 390 K HA -0.189 4.131 4.320 0.000 0.000 0.203 390 K C 1.968 178.568 176.600 -0.000 0.000 1.046 390 K CA 1.259 57.545 56.287 -0.002 0.000 0.938 390 K CB -0.243 32.255 32.500 -0.002 0.000 0.737 390 K HN 0.434 nan 8.250 nan 0.000 0.458 391 E N 2.047 122.247 120.200 -0.000 0.000 2.006 391 E HA -0.201 4.149 4.350 0.000 0.000 0.192 391 E C 1.899 178.500 176.600 0.002 0.000 0.993 391 E CA 1.416 57.817 56.400 0.001 0.000 0.808 391 E CB -0.024 29.676 29.700 0.000 0.000 0.764 391 E HN 0.143 nan 8.360 nan 0.000 0.449 392 K N 1.017 121.417 120.400 -0.000 0.000 2.059 392 K HA -0.248 4.072 4.320 0.000 0.000 0.212 392 K C 2.355 178.956 176.600 0.000 0.000 1.050 392 K CA 2.271 58.558 56.287 -0.000 0.000 0.927 392 K CB -0.271 32.227 32.500 -0.002 0.000 0.714 392 K HN -0.007 nan 8.250 nan 0.000 0.447 393 K N 0.010 120.409 120.400 -0.001 0.000 2.127 393 K HA -0.235 4.085 4.320 0.000 0.000 0.208 393 K C 1.829 178.430 176.600 0.002 0.000 1.047 393 K CA 1.464 57.750 56.287 -0.003 0.000 0.927 393 K CB -0.220 32.278 32.500 -0.004 0.000 0.716 393 K HN 0.305 nan 8.250 nan 0.000 0.450 394 A N 1.460 124.283 122.820 0.006 0.000 1.832 394 A HA -0.163 4.157 4.320 0.000 0.000 0.214 394 A C 2.072 179.668 177.584 0.019 0.000 1.200 394 A CA 1.687 53.733 52.037 0.014 0.000 0.610 394 A CB -0.640 18.369 19.000 0.014 0.000 0.842 394 A HN 0.384 nan 8.150 nan 0.000 0.444 395 R N -0.529 119.980 120.500 0.015 0.000 2.153 395 R HA -0.167 4.173 4.340 0.000 0.000 0.252 395 R C 1.952 178.263 176.300 0.018 0.000 1.158 395 R CA 1.602 57.712 56.100 0.017 0.000 0.975 395 R CB -0.887 29.419 30.300 0.009 0.000 0.871 395 R HN 0.425 nan 8.270 nan 0.000 0.450 396 V N 1.187 121.106 119.914 0.009 0.000 2.214 396 V HA -0.302 3.818 4.120 0.000 0.000 0.245 396 V C 2.021 178.113 176.094 -0.002 0.000 1.047 396 V CA 2.221 64.521 62.300 0.000 0.000 0.998 396 V CB -0.616 31.203 31.823 -0.008 0.000 0.633 396 V HN 0.387 nan 8.190 nan 0.000 0.446 397 E N 0.100 120.296 120.200 -0.007 0.000 2.114 397 E HA -0.287 4.063 4.350 0.000 0.000 0.199 397 E C 1.917 178.533 176.600 0.027 0.000 1.008 397 E CA 1.676 58.057 56.400 -0.030 0.000 0.810 397 E CB -0.340 29.354 29.700 -0.009 0.000 0.739 397 E HN 0.639 nan 8.360 nan 0.000 0.456 398 D N 0.580 121.036 120.400 0.093 0.000 2.108 398 D HA -0.211 4.429 4.640 0.000 0.000 0.190 398 D C 1.972 178.348 176.300 0.127 0.000 0.995 398 D CA 1.658 55.748 54.000 0.151 0.000 0.834 398 D CB -0.684 40.163 40.800 0.078 0.000 0.967 398 D HN 0.207 nan 8.370 nan 0.000 0.446 399 A N 1.217 124.074 122.820 0.061 0.000 1.869 399 A HA -0.238 4.082 4.320 0.000 0.000 0.218 399 A C 2.358 179.965 177.584 0.039 0.000 1.203 399 A CA 2.052 54.114 52.037 0.042 0.000 0.638 399 A CB -1.272 17.739 19.000 0.018 0.000 0.831 399 A HN 0.349 nan 8.150 nan 0.000 0.450 400 L N -1.393 119.831 121.223 0.001 0.000 2.030 400 L HA -0.349 3.991 4.340 0.000 0.000 0.222 400 L C 2.607 179.471 176.870 -0.010 0.000 1.082 400 L CA 2.538 57.356 54.840 -0.036 0.000 0.785 400 L CB -0.603 41.395 42.059 -0.101 0.000 0.895 400 L HN 0.583 nan 8.230 nan 0.000 0.439 401 H N -0.136 118.936 119.070 0.003 0.000 2.371 401 H HA -0.269 4.287 4.556 0.000 0.000 0.292 401 H C 2.194 177.526 175.328 0.006 0.000 1.066 401 H CA 1.931 57.983 56.048 0.006 0.000 1.153 401 H CB -0.867 28.900 29.762 0.007 0.000 1.375 401 H HN 0.597 nan 8.280 nan 0.000 0.558 402 A N 0.398 123.321 122.820 0.172 0.000 1.923 402 A HA -0.318 4.002 4.320 0.000 0.000 0.222 402 A C 2.705 180.325 177.584 0.058 0.000 1.258 402 A CA 3.391 55.477 52.037 0.083 0.000 0.670 402 A CB -1.422 17.612 19.000 0.056 0.000 0.834 402 A HN 0.614 nan 8.150 nan 0.000 0.470 403 T N -0.479 114.104 114.554 0.048 0.000 2.597 403 T HA -0.243 4.107 4.350 0.000 0.000 0.267 403 T C 1.994 176.711 174.700 0.028 0.000 1.053 403 T CA 1.771 63.888 62.100 0.028 0.000 1.165 403 T CB -0.347 68.531 68.868 0.016 0.000 0.863 403 T HN 0.576 nan 8.240 nan 0.000 0.427 404 R N 0.918 121.437 120.500 0.032 0.000 2.112 404 R HA -0.135 4.205 4.340 0.000 0.000 0.242 404 R C 2.856 179.177 176.300 0.035 0.000 1.137 404 R CA 1.547 57.665 56.100 0.030 0.000 0.944 404 R CB -0.711 29.610 30.300 0.035 0.000 0.857 404 R HN 0.432 nan 8.270 nan 0.000 0.435 405 A N 1.252 124.101 122.820 0.048 0.000 1.851 405 A HA -0.183 4.137 4.320 0.000 0.000 0.216 405 A C 2.439 180.038 177.584 0.025 0.000 1.195 405 A CA 1.922 53.982 52.037 0.038 0.000 0.622 405 A CB -0.971 18.053 19.000 0.041 0.000 0.831 405 A HN 0.442 nan 8.150 nan 0.000 0.444 406 A N -0.610 122.224 122.820 0.024 0.000 1.903 406 A HA -0.118 4.202 4.320 0.000 0.000 0.219 406 A C 2.272 179.864 177.584 0.014 0.000 1.191 406 A CA 2.275 54.322 52.037 0.017 0.000 0.638 406 A CB -1.216 17.795 19.000 0.017 0.000 0.823 406 A HN 0.485 nan 8.150 nan 0.000 0.451 407 V N 0.074 119.998 119.914 0.015 0.000 2.220 407 V HA -0.328 3.792 4.120 0.000 0.000 0.246 407 V C 2.395 178.496 176.094 0.012 0.000 1.049 407 V CA 2.405 64.712 62.300 0.012 0.000 1.003 407 V CB -1.143 30.687 31.823 0.012 0.000 0.634 407 V HN 0.685 nan 8.190 nan 0.000 0.444 408 E N 0.098 120.306 120.200 0.014 0.000 2.108 408 E HA -0.274 4.076 4.350 0.000 0.000 0.203 408 E C 1.494 178.099 176.600 0.009 0.000 1.022 408 E CA 1.925 58.332 56.400 0.012 0.000 0.823 408 E CB -0.144 29.565 29.700 0.015 0.000 0.744 408 E HN 0.736 nan 8.360 nan 0.000 0.456 409 E N -0.803 119.402 120.200 0.008 0.000 2.789 409 E HA 0.270 4.620 4.350 0.000 0.000 0.217 409 E C 0.305 176.909 176.600 0.006 0.000 0.970 409 E CA 0.113 56.516 56.400 0.005 0.000 1.201 409 E CB 1.478 31.179 29.700 0.001 0.000 1.069 409 E HN 0.243 nan 8.360 nan 0.000 0.499 410 G N 1.340 110.145 108.800 0.008 0.000 2.693 410 G HA2 -0.216 3.744 3.960 0.000 0.000 0.226 410 G HA3 -0.216 3.744 3.960 0.000 0.000 0.226 410 G C -0.142 174.763 174.900 0.009 0.000 1.354 410 G CA -0.347 44.758 45.100 0.008 0.000 0.873 410 G HN 0.576 nan 8.290 nan 0.000 0.562 411 V N -2.938 116.981 119.914 0.009 0.000 3.156 411 V HA 1.028 5.148 4.120 0.000 0.000 0.310 411 V C 0.531 176.631 176.094 0.009 0.000 1.234 411 V CA 0.622 62.928 62.300 0.009 0.000 1.065 411 V CB 1.383 33.211 31.823 0.009 0.000 1.088 411 V HN 2.655 nan 8.190 nan 0.000 0.451 412 V N -2.726 117.193 119.914 0.009 0.000 3.203 412 V HA 0.988 5.108 4.120 0.000 0.000 0.305 412 V C 0.251 176.350 176.094 0.009 0.000 1.361 412 V CA -0.793 61.514 62.300 0.011 0.000 1.066 412 V CB 0.946 32.775 31.823 0.010 0.000 1.085 412 V HN 2.466 nan 8.190 nan 0.000 0.456 413 A N 0.141 122.968 122.820 0.011 0.000 2.548 413 A HA 0.548 4.868 4.320 0.000 0.000 0.247 413 A C 1.232 178.814 177.584 -0.003 0.000 1.067 413 A CA 0.562 52.602 52.037 0.005 0.000 0.757 413 A CB -0.145 18.861 19.000 0.011 0.000 0.996 413 A HN 2.173 nan 8.150 nan 0.000 0.504 414 G N 1.676 110.469 108.800 -0.013 0.000 3.126 414 G HA2 0.303 4.263 3.960 0.000 0.000 0.224 414 G HA3 0.303 4.263 3.960 0.000 0.000 0.224 414 G C 0.858 175.743 174.900 -0.025 0.000 1.142 414 G CA 0.688 45.778 45.100 -0.016 0.000 0.759 414 G HN 1.115 nan 8.290 nan 0.000 0.550 415 G N -0.097 108.682 108.800 -0.035 0.000 3.279 415 G HA2 0.395 4.355 3.960 0.000 0.000 0.230 415 G HA3 0.395 4.355 3.960 0.000 0.000 0.230 415 G C 1.221 176.110 174.900 -0.018 0.000 1.230 415 G CA 0.298 45.372 45.100 -0.043 0.000 0.891 415 G HN 1.196 nan 8.290 nan 0.000 0.518 416 G N -1.166 107.628 108.800 -0.009 0.000 2.175 416 G HA2 -0.352 3.608 3.960 0.000 0.000 0.244 416 G HA3 -0.352 3.608 3.960 0.000 0.000 0.244 416 G C 1.274 176.177 174.900 0.005 0.000 0.982 416 G CA 0.489 45.589 45.100 0.001 0.000 0.641 416 G HN 0.550 nan 8.290 nan 0.000 0.527 417 V N 1.195 121.109 119.914 -0.000 0.000 2.220 417 V HA -0.041 4.079 4.120 0.000 0.000 0.246 417 V C 3.346 179.447 176.094 0.012 0.000 1.049 417 V CA 3.211 65.514 62.300 0.004 0.000 1.003 417 V CB -1.662 30.157 31.823 -0.006 0.000 0.634 417 V HN 1.322 nan 8.190 nan 0.000 0.444 418 A N 0.394 123.221 122.820 0.011 0.000 1.923 418 A HA -0.284 4.036 4.320 0.000 0.000 0.222 418 A C 2.222 179.816 177.584 0.015 0.000 1.258 418 A CA 2.657 54.703 52.037 0.014 0.000 0.670 418 A CB -0.874 18.132 19.000 0.010 0.000 0.834 418 A HN 0.437 nan 8.150 nan 0.000 0.470 419 L N -0.750 120.480 121.223 0.013 0.000 1.989 419 L HA -0.182 4.158 4.340 0.000 0.000 0.211 419 L C 2.658 179.538 176.870 0.017 0.000 1.071 419 L CA 1.645 56.492 54.840 0.013 0.000 0.749 419 L CB -1.326 40.740 42.059 0.012 0.000 0.890 419 L HN 0.368 nan 8.230 nan 0.000 0.431 420 I N -0.213 120.368 120.570 0.019 0.000 2.185 420 I HA -0.325 3.845 4.170 0.000 0.000 0.246 420 I C 2.735 178.868 176.117 0.027 0.000 1.088 420 I CA 1.265 62.578 61.300 0.023 0.000 1.347 420 I CB -0.983 37.033 38.000 0.027 0.000 1.041 420 I HN 0.299 nan 8.210 nan 0.000 0.415 421 R N 1.450 121.968 120.500 0.030 0.000 2.126 421 R HA -0.179 4.161 4.340 0.000 0.000 0.224 421 R C 2.424 178.741 176.300 0.028 0.000 1.128 421 R CA 2.774 58.895 56.100 0.035 0.000 0.895 421 R CB -1.050 29.272 30.300 0.037 0.000 0.817 421 R HN 0.291 nan 8.270 nan 0.000 0.435 422 V N -0.893 119.034 119.914 0.022 0.000 2.313 422 V HA -0.287 3.833 4.120 0.000 0.000 0.253 422 V C 2.164 178.268 176.094 0.016 0.000 1.070 422 V CA 2.255 64.566 62.300 0.017 0.000 1.057 422 V CB -1.645 30.186 31.823 0.013 0.000 0.653 422 V HN 0.490 nan 8.190 nan 0.000 0.450 423 A N 1.701 124.530 122.820 0.017 0.000 1.858 423 A HA -0.189 4.131 4.320 0.000 0.000 0.216 423 A C 2.656 180.249 177.584 0.016 0.000 1.190 423 A CA 3.210 55.256 52.037 0.015 0.000 0.617 423 A CB -1.343 17.666 19.000 0.015 0.000 0.827 423 A HN 1.117 nan 8.150 nan 0.000 0.443 424 S N -0.090 115.622 115.700 0.020 0.000 2.402 424 S HA -0.228 4.242 4.470 0.000 0.000 0.233 424 S C 1.848 176.459 174.600 0.019 0.000 1.030 424 S CA 1.447 59.660 58.200 0.021 0.000 1.003 424 S CB -0.343 62.873 63.200 0.028 0.000 0.813 424 S HN 0.460 nan 8.310 nan 0.000 0.477 425 K N 2.368 122.779 120.400 0.019 0.000 1.983 425 K HA -0.011 4.309 4.320 0.000 0.000 0.225 425 K C 1.550 178.158 176.600 0.013 0.000 1.030 425 K CA 1.232 57.529 56.287 0.017 0.000 1.027 425 K CB -1.372 31.138 32.500 0.016 0.000 0.757 425 K HN 0.674 nan 8.250 nan 0.000 0.444 426 L N 0.273 121.502 121.223 0.011 0.000 2.530 426 L HA 0.200 4.540 4.340 0.000 0.000 0.247 426 L C 0.966 177.842 176.870 0.009 0.000 1.416 426 L CA -0.122 54.724 54.840 0.009 0.000 1.202 426 L CB -0.571 41.493 42.059 0.008 0.000 1.415 426 L HN 0.065 nan 8.230 nan 0.000 0.443 427 A N -0.164 122.661 122.820 0.009 0.000 2.308 427 A HA 0.081 4.401 4.320 0.000 0.000 0.217 427 A C 1.544 179.133 177.584 0.007 0.000 1.216 427 A CA 0.140 52.182 52.037 0.009 0.000 0.864 427 A CB -0.013 18.993 19.000 0.010 0.000 0.902 427 A HN 0.643 nan 8.150 nan 0.000 0.499 428 D N -0.893 119.511 120.400 0.006 0.000 2.431 428 D HA 0.048 4.688 4.640 0.000 0.000 0.235 428 D C 0.515 176.818 176.300 0.005 0.000 0.980 428 D CA -0.094 53.910 54.000 0.005 0.000 0.912 428 D CB -0.204 40.599 40.800 0.005 0.000 1.056 428 D HN 0.273 nan 8.370 nan 0.000 0.494 429 L N 3.018 124.244 121.223 0.005 0.000 4.017 429 L HA -0.225 4.115 4.340 0.000 0.000 0.482 429 L C 0.072 176.944 176.870 0.004 0.000 1.045 429 L CA 0.819 55.661 54.840 0.005 0.000 0.650 429 L CB -0.113 41.949 42.059 0.005 0.000 0.973 429 L HN -0.057 nan 8.230 nan 0.000 0.913 430 R N 3.687 124.189 120.500 0.004 0.000 2.923 430 R HA 0.872 5.212 4.340 0.000 0.000 0.252 430 R C 0.050 176.352 176.300 0.003 0.000 1.130 430 R CA -0.317 55.785 56.100 0.003 0.000 1.043 430 R CB 1.404 31.705 30.300 0.003 0.000 1.205 430 R HN 0.776 nan 8.270 nan 0.000 0.495 431 G N -0.135 108.667 108.800 0.003 0.000 2.605 431 G HA2 0.373 4.333 3.960 0.000 0.000 0.296 431 G HA3 0.373 4.333 3.960 0.000 0.000 0.296 431 G C -0.208 174.694 174.900 0.003 0.000 1.304 431 G CA -0.391 44.711 45.100 0.003 0.000 0.941 431 G HN 0.261 nan 8.290 nan 0.000 0.475 432 Q N 0.295 120.096 119.800 0.002 0.000 1.856 432 Q HA -0.074 4.266 4.340 0.000 0.000 0.233 432 Q C 1.432 177.434 176.000 0.002 0.000 0.995 432 Q CA 1.050 56.854 55.803 0.002 0.000 0.877 432 Q CB -0.512 28.227 28.738 0.002 0.000 0.937 432 Q HN 0.697 nan 8.270 nan 0.000 0.423 433 N N 0.885 119.587 118.700 0.002 0.000 2.458 433 N HA -0.116 4.624 4.740 0.000 0.000 0.258 433 N C 0.722 176.233 175.510 0.002 0.000 1.219 433 N CA -0.007 53.045 53.050 0.002 0.000 0.902 433 N CB 0.471 38.960 38.487 0.002 0.000 1.076 433 N HN 0.336 nan 8.380 nan 0.000 0.455 434 E N 2.406 122.607 120.200 0.002 0.000 2.160 434 E HA -0.257 4.093 4.350 0.000 0.000 0.195 434 E C 0.314 176.915 176.600 0.003 0.000 0.991 434 E CA 1.307 57.708 56.400 0.002 0.000 0.810 434 E CB 0.121 29.822 29.700 0.002 0.000 0.742 434 E HN 0.638 nan 8.360 nan 0.000 0.466 435 D N 0.247 120.648 120.400 0.003 0.000 2.351 435 D HA -0.143 4.497 4.640 0.000 0.000 0.216 435 D C 1.535 177.837 176.300 0.003 0.000 0.968 435 D CA 0.817 54.819 54.000 0.003 0.000 0.899 435 D CB 0.060 40.862 40.800 0.003 0.000 0.907 435 D HN 0.478 nan 8.370 nan 0.000 0.514 436 Q N -0.309 119.493 119.800 0.003 0.000 2.297 436 Q HA 0.036 4.376 4.340 0.000 0.000 0.203 436 Q C 1.740 177.743 176.000 0.004 0.000 0.931 436 Q CA 0.112 55.917 55.803 0.004 0.000 0.885 436 Q CB 0.207 28.947 28.738 0.003 0.000 0.991 436 Q HN 0.187 nan 8.270 nan 0.000 0.498 437 N N 0.853 119.555 118.700 0.003 0.000 2.058 437 N HA -0.140 4.600 4.740 0.000 0.000 0.191 437 N C 2.069 177.582 175.510 0.004 0.000 1.037 437 N CA 1.475 54.528 53.050 0.004 0.000 0.848 437 N CB -0.434 38.055 38.487 0.003 0.000 1.021 437 N HN 0.032 nan 8.380 nan 0.000 0.422 438 V N 1.391 121.307 119.914 0.004 0.000 2.250 438 V HA -0.238 3.882 4.120 0.000 0.000 0.250 438 V C 2.605 178.702 176.094 0.005 0.000 1.060 438 V CA 2.201 64.504 62.300 0.004 0.000 1.030 438 V CB -1.588 30.237 31.823 0.003 0.000 0.643 438 V HN 0.369 nan 8.190 nan 0.000 0.445 439 G N 0.179 108.982 108.800 0.005 0.000 2.505 439 G HA2 -0.286 3.674 3.960 0.000 0.000 0.220 439 G HA3 -0.286 3.674 3.960 0.000 0.000 0.220 439 G C 1.523 176.427 174.900 0.006 0.000 1.145 439 G CA 1.554 46.657 45.100 0.005 0.000 0.761 439 G HN 0.553 nan 8.290 nan 0.000 0.571 440 I N -0.013 120.561 120.570 0.005 0.000 2.252 440 I HA -0.083 4.087 4.170 0.000 0.000 0.245 440 I C 2.762 178.883 176.117 0.006 0.000 1.102 440 I CA 1.141 62.444 61.300 0.006 0.000 1.385 440 I CB -0.240 37.764 38.000 0.005 0.000 1.064 440 I HN 0.016 nan 8.210 nan 0.000 0.414 441 K N 1.141 121.545 120.400 0.006 0.000 1.977 441 K HA -0.160 4.160 4.320 0.000 0.000 0.218 441 K C 1.984 178.588 176.600 0.007 0.000 1.051 441 K CA 1.614 57.905 56.287 0.006 0.000 0.953 441 K CB -0.970 31.533 32.500 0.005 0.000 0.727 441 K HN 0.028 nan 8.250 nan 0.000 0.445 442 V N 1.181 121.099 119.914 0.006 0.000 2.233 442 V HA -0.412 3.708 4.120 0.000 0.000 0.256 442 V C 2.217 178.316 176.094 0.008 0.000 1.069 442 V CA 2.414 64.718 62.300 0.007 0.000 1.054 442 V CB -1.192 30.635 31.823 0.007 0.000 0.664 442 V HN 0.535 nan 8.190 nan 0.000 0.453 443 A N -0.413 122.412 122.820 0.008 0.000 1.881 443 A HA -0.271 4.049 4.320 0.000 0.000 0.219 443 A C 2.197 179.786 177.584 0.009 0.000 1.215 443 A CA 2.697 54.739 52.037 0.009 0.000 0.648 443 A CB -0.762 18.243 19.000 0.008 0.000 0.832 443 A HN 0.524 nan 8.150 nan 0.000 0.455 444 L N -1.443 119.785 121.223 0.009 0.000 1.961 444 L HA -0.204 4.136 4.340 0.000 0.000 0.210 444 L C 2.828 179.704 176.870 0.010 0.000 1.072 444 L CA 1.959 56.804 54.840 0.009 0.000 0.749 444 L CB -0.588 41.476 42.059 0.009 0.000 0.889 444 L HN 0.516 nan 8.230 nan 0.000 0.432 445 R N 0.438 120.943 120.500 0.009 0.000 2.185 445 R HA -0.211 4.129 4.340 0.000 0.000 0.247 445 R C 2.030 178.336 176.300 0.010 0.000 1.159 445 R CA 1.416 57.521 56.100 0.009 0.000 0.988 445 R CB -0.184 30.121 30.300 0.008 0.000 0.871 445 R HN 0.409 nan 8.270 nan 0.000 0.458 446 A N 0.229 123.055 122.820 0.010 0.000 2.119 446 A HA -0.023 4.297 4.320 0.000 0.000 0.216 446 A C 1.940 179.531 177.584 0.012 0.000 1.152 446 A CA 0.755 52.798 52.037 0.011 0.000 0.708 446 A CB -0.177 18.830 19.000 0.011 0.000 0.805 446 A HN 0.355 nan 8.150 nan 0.000 0.460 447 M N -0.766 118.841 119.600 0.012 0.000 2.492 447 M HA -0.039 4.441 4.480 0.000 0.000 0.262 447 M C 1.421 177.729 176.300 0.013 0.000 1.090 447 M CA 0.882 56.189 55.300 0.012 0.000 1.110 447 M CB -0.222 32.386 32.600 0.012 0.000 1.407 447 M HN 0.413 nan 8.290 nan 0.000 0.470 448 E N 0.843 121.051 120.200 0.013 0.000 2.358 448 E HA -0.021 4.330 4.350 0.000 0.000 0.195 448 E C 2.110 178.718 176.600 0.013 0.000 1.010 448 E CA 0.518 56.927 56.400 0.014 0.000 0.856 448 E CB -0.003 29.704 29.700 0.013 0.000 0.795 448 E HN 0.488 nan 8.360 nan 0.000 0.504 449 A N 2.445 125.272 122.820 0.012 0.000 1.870 449 A HA -0.211 4.109 4.320 0.000 0.000 0.219 449 A C -0.299 177.292 177.584 0.011 0.000 1.224 449 A CA 1.759 53.802 52.037 0.011 0.000 0.650 449 A CB -1.750 17.257 19.000 0.011 0.000 0.836 449 A HN 0.135 nan 8.150 nan 0.000 0.454 450 P HA -0.201 nan 4.420 nan 0.000 0.214 450 P C 1.783 179.090 177.300 0.011 0.000 1.169 450 P CA 1.470 64.575 63.100 0.009 0.000 0.908 450 P CB -0.151 31.555 31.700 0.009 0.000 0.791 451 L N -0.199 121.033 121.223 0.015 0.000 1.956 451 L HA -0.219 4.121 4.340 0.000 0.000 0.216 451 L C 2.367 179.252 176.870 0.026 0.000 1.073 451 L CA 2.021 56.874 54.840 0.023 0.000 0.762 451 L CB -1.164 40.911 42.059 0.027 0.000 0.889 451 L HN -0.211 nan 8.230 nan 0.000 0.433 452 R N -0.995 119.517 120.500 0.019 0.000 2.140 452 R HA -0.290 4.050 4.340 0.000 0.000 0.250 452 R C 2.346 178.655 176.300 0.015 0.000 1.150 452 R CA 1.936 58.044 56.100 0.015 0.000 0.966 452 R CB -0.541 29.765 30.300 0.010 0.000 0.869 452 R HN 0.516 nan 8.270 nan 0.000 0.445 453 Q N 0.697 120.505 119.800 0.013 0.000 2.079 453 Q HA -0.116 4.224 4.340 0.000 0.000 0.200 453 Q C 1.880 177.888 176.000 0.013 0.000 0.974 453 Q CA 1.482 57.291 55.803 0.011 0.000 0.840 453 Q CB -0.038 28.705 28.738 0.008 0.000 0.898 453 Q HN 0.218 nan 8.270 nan 0.000 0.430 454 I N -0.215 120.364 120.570 0.016 0.000 2.076 454 I HA -0.261 3.909 4.170 0.000 0.000 0.237 454 I C 2.268 178.404 176.117 0.032 0.000 1.059 454 I CA 1.057 62.367 61.300 0.017 0.000 1.317 454 I CB -1.551 36.457 38.000 0.013 0.000 1.037 454 I HN 0.101 nan 8.210 nan 0.000 0.398 455 V N 1.144 121.090 119.914 0.054 0.000 2.250 455 V HA -0.328 3.792 4.120 0.000 0.000 0.253 455 V C 2.646 178.762 176.094 0.037 0.000 1.065 455 V CA 2.180 64.521 62.300 0.068 0.000 1.039 455 V CB -0.927 30.919 31.823 0.037 0.000 0.647 455 V HN 0.360 nan 8.190 nan 0.000 0.446 456 L N 1.014 122.250 121.223 0.021 0.000 1.978 456 L HA -0.239 4.101 4.340 0.000 0.000 0.218 456 L C 2.230 179.108 176.870 0.014 0.000 1.075 456 L CA 2.350 57.198 54.840 0.013 0.000 0.767 456 L CB -1.208 40.856 42.059 0.010 0.000 0.890 456 L HN 0.366 nan 8.230 nan 0.000 0.434 457 N N -0.829 117.879 118.700 0.013 0.000 2.258 457 N HA -0.188 4.552 4.740 0.000 0.000 0.187 457 N C 1.676 177.193 175.510 0.011 0.000 1.012 457 N CA 1.723 54.779 53.050 0.009 0.000 0.870 457 N CB -0.823 37.667 38.487 0.005 0.000 0.977 457 N HN 0.492 nan 8.380 nan 0.000 0.434 458 C N -0.752 118.559 119.300 0.019 0.000 2.576 458 C HA 0.326 4.786 4.460 0.000 0.000 0.267 458 C C 1.633 176.638 174.990 0.024 0.000 1.364 458 C CA 0.106 59.138 59.018 0.022 0.000 1.723 458 C CB -1.034 26.730 27.740 0.039 0.000 1.778 458 C HN 0.603 nan 8.230 nan 0.000 0.572 459 G N 1.112 109.924 108.800 0.020 0.000 2.137 459 G HA2 -0.164 3.796 3.960 0.000 0.000 0.237 459 G HA3 -0.164 3.796 3.960 0.000 0.000 0.237 459 G C -0.236 174.674 174.900 0.017 0.000 1.002 459 G CA 0.121 45.230 45.100 0.016 0.000 0.702 459 G HN 0.513 nan 8.290 nan 0.000 0.515 460 E N 0.021 120.234 120.200 0.021 0.000 2.254 460 E HA 0.422 4.772 4.350 0.000 0.000 0.258 460 E C 0.054 176.649 176.600 -0.008 0.000 1.033 460 E CA -0.852 55.554 56.400 0.009 0.000 0.893 460 E CB 0.601 30.313 29.700 0.020 0.000 1.204 460 E HN 0.208 nan 8.360 nan 0.000 0.425 461 E N 2.059 122.242 120.200 -0.028 0.000 2.104 461 E HA 0.088 4.438 4.350 0.000 0.000 0.278 461 E C -1.753 174.824 176.600 -0.039 0.000 1.127 461 E CA -1.548 54.835 56.400 -0.029 0.000 0.897 461 E CB 0.745 30.426 29.700 -0.032 0.000 1.043 461 E HN 0.177 nan 8.360 nan 0.000 0.410 462 P HA -0.180 nan 4.420 nan 0.000 0.208 462 P C 1.551 178.839 177.300 -0.020 0.000 1.200 462 P CA 1.611 64.701 63.100 -0.017 0.000 0.924 462 P CB 0.041 31.739 31.700 -0.004 0.000 0.774 463 S N -0.478 115.215 115.700 -0.012 0.000 2.393 463 S HA -0.238 4.232 4.470 0.000 0.000 0.234 463 S C 2.011 176.603 174.600 -0.013 0.000 1.064 463 S CA 2.322 60.517 58.200 -0.008 0.000 1.088 463 S CB -2.047 61.149 63.200 -0.006 0.000 0.939 463 S HN -0.063 nan 8.310 nan 0.000 0.448 464 V N 1.728 121.629 119.914 -0.021 0.000 2.223 464 V HA -0.149 3.971 4.120 0.000 0.000 0.244 464 V C 2.713 178.791 176.094 -0.027 0.000 1.045 464 V CA 1.815 64.100 62.300 -0.025 0.000 1.000 464 V CB -0.996 30.809 31.823 -0.030 0.000 0.635 464 V HN 0.486 nan 8.190 nan 0.000 0.445 465 V N 0.309 120.184 119.914 -0.065 0.000 2.252 465 V HA -0.343 3.777 4.120 0.000 0.000 0.249 465 V C 2.747 178.847 176.094 0.010 0.000 1.056 465 V CA 2.306 64.557 62.300 -0.081 0.000 1.022 465 V CB -1.357 30.279 31.823 -0.310 0.000 0.641 465 V HN 0.588 nan 8.190 nan 0.000 0.445 466 A N 0.656 123.474 122.820 -0.003 0.000 1.881 466 A HA -0.422 3.898 4.320 0.000 0.000 0.219 466 A C 2.035 179.636 177.584 0.029 0.000 1.215 466 A CA 2.959 55.007 52.037 0.019 0.000 0.648 466 A CB -1.206 17.801 19.000 0.010 0.000 0.832 466 A HN 0.717 nan 8.150 nan 0.000 0.455 467 N N -0.261 118.448 118.700 0.016 0.000 2.027 467 N HA -0.249 4.491 4.740 0.000 0.000 0.200 467 N C 1.805 177.327 175.510 0.021 0.000 1.042 467 N CA 4.044 57.102 53.050 0.014 0.000 0.871 467 N CB -0.887 37.601 38.487 0.001 0.000 1.063 467 N HN 0.582 nan 8.380 nan 0.000 0.438 468 T N -2.340 112.220 114.554 0.010 0.000 2.849 468 T HA -0.091 4.259 4.350 0.000 0.000 0.270 468 T C 1.939 176.673 174.700 0.056 0.000 1.066 468 T CA 1.614 63.706 62.100 -0.014 0.000 1.130 468 T CB -0.835 67.940 68.868 -0.155 0.000 0.864 468 T HN 0.073 nan 8.240 nan 0.000 0.481 469 V N 1.475 121.443 119.914 0.091 0.000 2.453 469 V HA -0.061 4.059 4.120 0.000 0.000 0.247 469 V C 2.851 179.004 176.094 0.097 0.000 1.048 469 V CA 1.292 63.642 62.300 0.083 0.000 1.049 469 V CB -0.466 31.398 31.823 0.068 0.000 0.672 469 V HN 0.417 nan 8.190 nan 0.000 0.457 470 K N 0.941 121.384 120.400 0.073 0.000 2.063 470 K HA -0.129 4.191 4.320 0.000 0.000 0.208 470 K C 2.286 178.934 176.600 0.080 0.000 1.048 470 K CA 1.577 57.902 56.287 0.064 0.000 0.928 470 K CB -1.113 31.411 32.500 0.041 0.000 0.713 470 K HN 0.514 nan 8.250 nan 0.000 0.442 471 G N 1.572 110.420 108.800 0.080 0.000 2.586 471 G HA2 -0.258 3.702 3.960 0.000 0.000 0.218 471 G HA3 -0.258 3.702 3.960 0.000 0.000 0.218 471 G C 1.089 176.049 174.900 0.101 0.000 1.216 471 G CA 1.387 46.531 45.100 0.072 0.000 0.786 471 G HN 0.471 nan 8.290 nan 0.000 0.583 472 G N -0.708 108.222 108.800 0.217 0.000 2.527 472 G HA2 0.412 4.372 3.960 0.000 0.000 0.279 472 G HA3 0.412 4.372 3.960 0.000 0.000 0.279 472 G C -0.359 174.653 174.900 0.187 0.000 1.374 472 G CA 0.309 45.546 45.100 0.230 0.000 1.053 472 G HN 0.389 nan 8.290 nan 0.000 0.539 473 D N -2.394 118.108 120.400 0.170 0.000 2.752 473 D HA 0.498 5.138 4.640 0.000 0.000 0.313 473 D C 0.780 177.162 176.300 0.137 0.000 1.225 473 D CA 0.506 54.577 54.000 0.118 0.000 0.976 473 D CB 1.092 41.925 40.800 0.055 0.000 1.443 473 D HN 0.966 nan 8.370 nan 0.000 0.515 474 G N 0.901 109.756 108.800 0.091 0.000 2.582 474 G HA2 -0.310 3.650 3.960 0.000 0.000 0.288 474 G HA3 -0.310 3.650 3.960 0.000 0.000 0.288 474 G C 0.248 175.211 174.900 0.105 0.000 1.247 474 G CA 0.075 45.225 45.100 0.084 0.000 0.972 474 G HN 0.550 nan 8.290 nan 0.000 0.557 475 N N 0.495 119.257 118.700 0.104 0.000 2.375 475 N HA 0.102 4.842 4.740 0.000 0.000 0.220 475 N C 0.033 175.631 175.510 0.147 0.000 1.170 475 N CA 0.236 53.344 53.050 0.096 0.000 0.833 475 N CB 0.055 38.582 38.487 0.067 0.000 1.069 475 N HN 0.474 nan 8.380 nan 0.000 0.479 476 Y N 1.164 121.495 120.300 0.052 0.000 2.436 476 Y HA 0.463 5.013 4.550 0.000 0.000 0.336 476 Y C 0.648 176.614 175.900 0.111 0.000 1.049 476 Y CA -0.422 57.724 58.100 0.077 0.000 1.294 476 Y CB 0.284 38.786 38.460 0.069 0.000 1.179 476 Y HN 0.076 nan 8.280 nan 0.000 0.520 477 G N 4.236 112.773 108.800 -0.437 0.000 2.815 477 G HA2 0.302 4.262 3.960 0.000 0.000 0.305 477 G HA3 0.302 4.262 3.960 0.000 0.000 0.305 477 G C -2.414 172.322 174.900 -0.272 0.000 1.277 477 G CA -0.848 44.035 45.100 -0.361 0.000 0.795 477 G HN 0.547 nan 8.290 nan 0.000 0.528 478 Y N 1.381 121.489 120.300 -0.319 0.000 2.350 478 Y HA 0.599 5.149 4.550 -0.000 0.000 0.338 478 Y C -0.467 175.228 175.900 -0.341 0.000 0.961 478 Y CA -1.597 56.175 58.100 -0.547 0.000 1.100 478 Y CB 1.741 39.699 38.460 -0.837 0.000 1.179 478 Y HN 0.416 nan 8.280 nan 0.000 0.454 479 N N 5.066 123.257 118.700 -0.849 0.000 2.469 479 N HA 0.197 4.937 4.740 0.000 0.000 0.239 479 N C 0.583 175.483 175.510 -1.017 0.000 1.053 479 N CA 0.688 53.333 53.050 -0.675 0.000 0.937 479 N CB 1.444 39.709 38.487 -0.370 0.000 1.163 479 N HN 0.970 nan 8.380 nan 0.000 0.509 480 A N 4.237 126.540 122.820 -0.862 0.000 1.908 480 A HA -0.156 4.164 4.320 0.000 0.000 0.218 480 A C 2.090 179.479 177.584 -0.326 0.000 1.181 480 A CA 1.952 53.637 52.037 -0.586 0.000 0.627 480 A CB -0.783 18.087 19.000 -0.218 0.000 0.818 480 A HN 0.731 nan 8.150 nan 0.000 0.445 481 A N -0.935 121.733 122.820 -0.253 0.000 2.076 481 A HA -0.058 4.262 4.320 0.000 0.000 0.220 481 A C 2.156 179.656 177.584 -0.140 0.000 1.160 481 A CA 2.493 54.438 52.037 -0.153 0.000 0.653 481 A CB -0.766 18.160 19.000 -0.123 0.000 0.801 481 A HN 0.947 nan 8.150 nan 0.000 0.455 482 T N -5.488 108.948 114.554 -0.198 0.000 2.986 482 T HA 0.283 4.633 4.350 0.000 0.000 0.264 482 T C 0.275 174.899 174.700 -0.128 0.000 0.964 482 T CA 0.670 62.691 62.100 -0.132 0.000 0.895 482 T CB -0.095 68.707 68.868 -0.111 0.000 1.163 482 T HN 0.525 nan 8.240 nan 0.000 0.517 483 E N 0.857 120.899 120.200 -0.263 0.000 2.868 483 E HA -0.154 4.196 4.350 0.000 0.000 0.278 483 E C -0.799 175.827 176.600 0.043 0.000 1.009 483 E CA 0.616 56.971 56.400 -0.076 0.000 0.856 483 E CB -1.688 28.077 29.700 0.108 0.000 1.428 483 E HN 0.751 nan 8.360 nan 0.000 0.423 484 E N -0.011 120.090 120.200 -0.165 0.000 2.199 484 E HA 0.371 4.721 4.350 0.000 0.000 0.265 484 E C -0.662 175.934 176.600 -0.006 0.000 0.882 484 E CA -0.646 55.770 56.400 0.027 0.000 0.759 484 E CB 1.033 30.751 29.700 0.031 0.000 1.148 484 E HN 0.040 nan 8.360 nan 0.000 0.412 485 Y N 1.096 121.506 120.300 0.183 0.000 2.260 485 Y HA 0.594 5.144 4.550 0.000 0.000 0.339 485 Y C 1.330 177.334 175.900 0.173 0.000 1.317 485 Y CA 0.546 58.720 58.100 0.123 0.000 1.514 485 Y CB 0.978 39.528 38.460 0.149 0.000 1.382 485 Y HN 0.717 nan 8.280 nan 0.000 0.581 486 G N 0.052 109.081 108.800 0.382 0.000 2.334 486 G HA2 -0.091 3.869 3.960 0.000 0.000 0.249 486 G HA3 -0.091 3.869 3.960 0.000 0.000 0.249 486 G C -1.601 173.498 174.900 0.332 0.000 1.327 486 G CA -1.049 44.302 45.100 0.418 0.000 0.979 486 G HN 0.570 nan 8.290 nan 0.000 0.471 487 N N 1.585 120.407 118.700 0.203 0.000 2.521 487 N HA 0.179 4.919 4.740 0.000 0.000 0.236 487 N C 1.916 177.468 175.510 0.070 0.000 1.067 487 N CA -0.520 52.616 53.050 0.143 0.000 0.939 487 N CB 0.553 39.102 38.487 0.104 0.000 1.201 487 N HN 0.403 nan 8.380 nan 0.000 0.511 488 M N 2.971 122.596 119.600 0.043 0.000 2.146 488 M HA -0.233 4.247 4.480 0.000 0.000 0.256 488 M C 1.648 177.949 176.300 0.003 0.000 1.075 488 M CA 1.447 56.745 55.300 -0.004 0.000 1.082 488 M CB -0.622 31.966 32.600 -0.020 0.000 1.355 488 M HN 0.562 nan 8.290 nan 0.000 0.402 489 I N -0.230 120.352 120.570 0.020 0.000 2.233 489 I HA -0.252 3.918 4.170 0.000 0.000 0.243 489 I C 1.882 178.009 176.117 0.016 0.000 1.093 489 I CA 1.043 62.352 61.300 0.016 0.000 1.380 489 I CB -0.537 37.476 38.000 0.022 0.000 1.067 489 I HN 0.193 nan 8.210 nan 0.000 0.413 490 D N 0.962 121.378 120.400 0.026 0.000 2.144 490 D HA -0.157 4.483 4.640 0.000 0.000 0.199 490 D C 2.121 178.431 176.300 0.015 0.000 0.984 490 D CA 1.389 55.403 54.000 0.024 0.000 0.834 490 D CB -0.222 40.599 40.800 0.035 0.000 0.955 490 D HN 0.312 nan 8.370 nan 0.000 0.465 491 M N -0.594 119.013 119.600 0.013 0.000 2.686 491 M HA 0.102 4.582 4.480 0.000 0.000 0.246 491 M C 1.101 177.392 176.300 -0.015 0.000 1.096 491 M CA 0.788 56.086 55.300 -0.004 0.000 1.076 491 M CB 0.108 32.698 32.600 -0.017 0.000 1.504 491 M HN 0.097 nan 8.290 nan 0.000 0.524 492 G N 1.517 110.311 108.800 -0.009 0.000 2.147 492 G HA2 -0.197 3.763 3.960 0.000 0.000 0.244 492 G HA3 -0.197 3.763 3.960 0.000 0.000 0.244 492 G C -0.143 174.745 174.900 -0.020 0.000 1.005 492 G CA -0.359 44.734 45.100 -0.012 0.000 0.713 492 G HN 0.407 nan 8.290 nan 0.000 0.515 493 I N 1.410 121.965 120.570 -0.025 0.000 2.405 493 I HA 0.626 4.796 4.170 0.000 0.000 0.280 493 I C 0.571 176.675 176.117 -0.023 0.000 1.027 493 I CA -0.785 60.494 61.300 -0.035 0.000 1.161 493 I CB 0.299 38.263 38.000 -0.060 0.000 1.300 493 I HN 0.396 nan 8.210 nan 0.000 0.463 494 L N 3.279 124.492 121.223 -0.016 0.000 2.654 494 L HA 0.845 5.185 4.340 0.000 0.000 0.257 494 L C -1.609 175.258 176.870 -0.005 0.000 1.093 494 L CA -0.842 53.994 54.840 -0.007 0.000 0.903 494 L CB 2.775 44.834 42.059 -0.000 0.000 1.520 494 L HN 0.058 nan 8.230 nan 0.000 0.402 495 D N -0.217 120.182 120.400 -0.001 0.000 2.964 495 D HA 0.432 5.072 4.640 0.000 0.000 0.234 495 D C -2.812 173.490 176.300 0.004 0.000 1.223 495 D CA -1.148 52.852 54.000 0.001 0.000 0.889 495 D CB 2.629 43.429 40.800 -0.001 0.000 1.609 495 D HN 0.311 nan 8.370 nan 0.000 0.523 496 P HA 0.024 nan 4.420 nan 0.000 0.262 496 P C 0.923 178.226 177.300 0.006 0.000 1.199 496 P CA 0.235 63.341 63.100 0.010 0.000 0.763 496 P CB 0.602 32.311 31.700 0.016 0.000 0.790 497 T N 3.054 117.612 114.554 0.005 0.000 2.680 497 T HA -0.283 4.067 4.350 0.000 0.000 0.268 497 T C 1.631 176.329 174.700 -0.003 0.000 1.033 497 T CA 1.638 63.739 62.100 0.002 0.000 1.152 497 T CB -0.362 68.508 68.868 0.002 0.000 0.859 497 T HN 0.509 nan 8.240 nan 0.000 0.452 498 K N 0.738 121.137 120.400 -0.002 0.000 2.000 498 K HA -0.197 4.123 4.320 0.000 0.000 0.218 498 K C 2.465 179.058 176.600 -0.012 0.000 1.053 498 K CA 2.234 58.516 56.287 -0.008 0.000 0.946 498 K CB -0.629 31.872 32.500 0.001 0.000 0.723 498 K HN 0.354 nan 8.250 nan 0.000 0.446 499 V N -0.405 119.508 119.914 -0.002 0.000 2.252 499 V HA -0.275 3.845 4.120 0.000 0.000 0.249 499 V C 1.979 178.073 176.094 0.001 0.000 1.056 499 V CA 2.621 64.921 62.300 0.002 0.000 1.022 499 V CB -1.453 30.372 31.823 0.003 0.000 0.641 499 V HN 0.419 nan 8.190 nan 0.000 0.445 500 T N 0.270 114.824 114.554 -0.001 0.000 2.665 500 T HA -0.253 4.097 4.350 0.000 0.000 0.268 500 T C 1.968 176.663 174.700 -0.007 0.000 1.035 500 T CA 2.511 64.611 62.100 -0.000 0.000 1.151 500 T CB -0.435 68.433 68.868 -0.000 0.000 0.862 500 T HN 0.676 nan 8.240 nan 0.000 0.438 501 R N 0.906 121.395 120.500 -0.019 0.000 2.075 501 R HA -0.124 4.216 4.340 0.000 0.000 0.230 501 R C 2.632 178.894 176.300 -0.063 0.000 1.140 501 R CA 1.942 58.020 56.100 -0.037 0.000 0.928 501 R CB -0.548 29.726 30.300 -0.044 0.000 0.834 501 R HN 0.300 nan 8.270 nan 0.000 0.429 502 S N 1.075 116.726 115.700 -0.082 0.000 2.414 502 S HA -0.323 4.147 4.470 0.000 0.000 0.238 502 S C 2.118 176.686 174.600 -0.053 0.000 1.055 502 S CA 1.708 59.822 58.200 -0.144 0.000 1.174 502 S CB -0.887 62.278 63.200 -0.059 0.000 1.087 502 S HN 0.632 nan 8.310 nan 0.000 0.428 503 A N 2.283 125.127 122.820 0.039 0.000 1.870 503 A HA -0.180 4.140 4.320 0.000 0.000 0.219 503 A C 2.151 179.779 177.584 0.073 0.000 1.224 503 A CA 2.010 54.099 52.037 0.087 0.000 0.650 503 A CB -1.169 17.861 19.000 0.049 0.000 0.836 503 A HN 0.455 nan 8.150 nan 0.000 0.454 504 L N -0.315 120.924 121.223 0.027 0.000 2.043 504 L HA -0.264 4.076 4.340 0.000 0.000 0.212 504 L C 2.559 179.439 176.870 0.018 0.000 1.075 504 L CA 2.703 57.555 54.840 0.020 0.000 0.752 504 L CB -1.162 40.899 42.059 0.003 0.000 0.891 504 L HN 0.612 nan 8.230 nan 0.000 0.432 505 Q N -1.348 118.437 119.800 -0.026 0.000 2.016 505 Q HA -0.235 4.105 4.340 0.000 0.000 0.200 505 Q C 2.120 178.137 176.000 0.029 0.000 0.978 505 Q CA 1.681 57.452 55.803 -0.053 0.000 0.833 505 Q CB -0.331 28.306 28.738 -0.168 0.000 0.895 505 Q HN 0.438 nan 8.270 nan 0.000 0.427 506 Y N 0.793 121.092 120.300 -0.001 0.000 2.128 506 Y HA -0.263 4.287 4.550 0.000 0.000 0.284 506 Y C 2.491 178.391 175.900 -0.001 0.000 1.154 506 Y CA 0.941 59.040 58.100 -0.001 0.000 1.149 506 Y CB -1.028 37.430 38.460 -0.003 0.000 0.976 506 Y HN 0.157 nan 8.280 nan 0.000 0.505 507 A N -0.053 122.872 122.820 0.175 0.000 1.883 507 A HA -0.197 4.123 4.320 0.000 0.000 0.217 507 A C 2.542 180.168 177.584 0.070 0.000 1.186 507 A CA 2.403 54.494 52.037 0.091 0.000 0.624 507 A CB -1.372 17.665 19.000 0.062 0.000 0.822 507 A HN 0.421 nan 8.150 nan 0.000 0.444 508 A N -0.666 122.192 122.820 0.063 0.000 1.883 508 A HA -0.157 4.163 4.320 0.000 0.000 0.217 508 A C 2.467 180.082 177.584 0.051 0.000 1.186 508 A CA 2.458 54.521 52.037 0.043 0.000 0.624 508 A CB -1.205 17.813 19.000 0.029 0.000 0.822 508 A HN 0.718 nan 8.150 nan 0.000 0.444 509 S N -0.740 115.008 115.700 0.080 0.000 2.414 509 S HA -0.219 4.251 4.470 0.000 0.000 0.225 509 S C 1.991 176.628 174.600 0.061 0.000 1.041 509 S CA 2.392 60.644 58.200 0.087 0.000 1.114 509 S CB -0.981 62.320 63.200 0.169 0.000 1.064 509 S HN 0.893 nan 8.310 nan 0.000 0.420 510 V N 2.134 122.085 119.914 0.061 0.000 2.324 510 V HA -0.125 3.995 4.120 0.000 0.000 0.250 510 V C 2.594 178.701 176.094 0.022 0.000 1.060 510 V CA 2.449 64.767 62.300 0.030 0.000 1.042 510 V CB -1.450 30.381 31.823 0.014 0.000 0.650 510 V HN 0.679 nan 8.190 nan 0.000 0.450 511 A N 0.248 123.084 122.820 0.026 0.000 1.834 511 A HA -0.107 4.213 4.320 0.000 0.000 0.216 511 A C 2.480 180.073 177.584 0.014 0.000 1.203 511 A CA 2.301 54.348 52.037 0.018 0.000 0.621 511 A CB -1.772 17.240 19.000 0.019 0.000 0.841 511 A HN 0.731 nan 8.150 nan 0.000 0.446 512 G N -0.522 108.289 108.800 0.017 0.000 2.469 512 G HA2 -0.226 3.734 3.960 0.000 0.000 0.219 512 G HA3 -0.226 3.734 3.960 0.000 0.000 0.219 512 G C 1.447 176.354 174.900 0.012 0.000 1.150 512 G CA 1.331 46.440 45.100 0.014 0.000 0.763 512 G HN 0.394 nan 8.290 nan 0.000 0.561 513 L N 0.300 121.532 121.223 0.015 0.000 2.034 513 L HA -0.142 4.198 4.340 0.000 0.000 0.217 513 L C 3.012 179.884 176.870 0.004 0.000 1.077 513 L CA 1.832 56.678 54.840 0.011 0.000 0.769 513 L CB -0.386 41.681 42.059 0.014 0.000 0.890 513 L HN 0.291 nan 8.230 nan 0.000 0.435 514 M N -1.765 117.836 119.600 0.002 0.000 2.098 514 M HA -0.183 4.297 4.480 0.000 0.000 0.262 514 M C 2.194 178.490 176.300 -0.005 0.000 1.072 514 M CA 1.646 56.944 55.300 -0.004 0.000 1.133 514 M CB -0.407 32.192 32.600 -0.003 0.000 1.344 514 M HN 0.151 nan 8.290 nan 0.000 0.414 515 I N 0.491 121.061 120.570 -0.000 0.000 2.623 515 I HA -0.260 3.910 4.170 0.000 0.000 0.261 515 I C 1.893 178.011 176.117 0.001 0.000 1.204 515 I CA 1.502 62.802 61.300 0.000 0.000 1.444 515 I CB -0.709 37.293 38.000 0.004 0.000 1.094 515 I HN 0.478 nan 8.210 nan 0.000 0.451 516 T N -4.670 109.884 114.554 0.001 0.000 3.044 516 T HA 0.125 4.475 4.350 0.000 0.000 0.260 516 T C 0.729 175.428 174.700 -0.002 0.000 1.019 516 T CA -0.230 61.871 62.100 0.002 0.000 0.921 516 T CB -0.208 68.663 68.868 0.005 0.000 1.053 516 T HN -0.025 nan 8.240 nan 0.000 0.533 517 T N 3.070 117.619 114.554 -0.009 0.000 2.814 517 T HA 0.233 4.583 4.350 0.000 0.000 0.297 517 T C 0.617 175.303 174.700 -0.023 0.000 0.956 517 T CA -0.266 61.822 62.100 -0.020 0.000 1.123 517 T CB 1.093 69.943 68.868 -0.029 0.000 0.902 517 T HN 0.141 nan 8.240 nan 0.000 0.528 518 E N 0.652 120.839 120.200 -0.023 0.000 2.511 518 E HA 0.192 4.542 4.350 0.000 0.000 0.209 518 E C 0.143 176.704 176.600 -0.065 0.000 0.986 518 E CA 0.049 56.447 56.400 -0.003 0.000 0.974 518 E CB 0.712 30.439 29.700 0.046 0.000 1.030 518 E HN 0.537 nan 8.360 nan 0.000 0.490 519 C N 0.277 119.486 119.300 -0.152 0.000 3.086 519 C HA 0.683 5.143 4.460 0.000 0.000 0.311 519 C C -1.502 173.334 174.990 -0.257 0.000 1.260 519 C CA -0.541 58.270 59.018 -0.346 0.000 1.426 519 C CB 0.967 28.447 27.740 -0.433 0.000 1.826 519 C HN 0.141 nan 8.230 nan 0.000 0.474 520 M N 4.218 123.633 119.600 -0.309 0.000 2.271 520 M HA 0.499 4.979 4.480 0.000 0.000 0.285 520 M C -1.237 175.097 176.300 0.056 0.000 1.059 520 M CA -0.406 54.831 55.300 -0.107 0.000 0.940 520 M CB 1.988 34.497 32.600 -0.151 0.000 1.636 520 M HN 0.352 nan 8.290 nan 0.000 0.460 521 V N 1.343 121.319 119.914 0.104 0.000 2.628 521 V HA 0.905 5.025 4.120 0.000 0.000 0.306 521 V C -0.160 175.985 176.094 0.085 0.000 1.045 521 V CA -0.342 62.022 62.300 0.107 0.000 0.905 521 V CB 2.136 33.971 31.823 0.018 0.000 0.997 521 V HN 0.952 nan 8.190 nan 0.000 0.436 522 T N 1.287 115.842 114.554 0.001 0.000 2.700 522 T HA 0.285 4.635 4.350 0.000 0.000 0.307 522 T C -1.778 172.839 174.700 -0.138 0.000 1.580 522 T CA -0.593 61.433 62.100 -0.122 0.000 0.992 522 T CB 1.834 70.510 68.868 -0.320 0.000 1.577 522 T HN 0.634 nan 8.240 nan 0.000 0.496 523 D N 1.229 121.543 120.400 -0.143 0.000 2.358 523 D HA 0.411 5.051 4.640 0.000 0.000 0.244 523 D C 0.132 176.348 176.300 -0.141 0.000 1.163 523 D CA -0.081 53.853 54.000 -0.110 0.000 0.945 523 D CB 0.524 41.273 40.800 -0.085 0.000 1.152 523 D HN 0.412 nan 8.370 nan 0.000 0.451 524 L N 2.143 123.311 121.223 -0.091 0.000 2.375 524 L HA 0.281 4.621 4.340 0.000 0.000 0.271 524 L C -1.227 175.595 176.870 -0.079 0.000 1.107 524 L CA -1.482 53.308 54.840 -0.083 0.000 0.806 524 L CB 0.386 42.420 42.059 -0.042 0.000 1.146 524 L HN 0.309 nan 8.230 nan 0.000 0.447 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 63.062 63.100 -0.063 0.000 0.800 525 P CB 0.000 31.670 31.700 -0.050 0.000 0.726