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 1fc5_1_A DATA FIRST_RESID 5 DATA SEQUENCE TGLXSLDTAL NEXLSRVTPL TAQETLPLVQ CFGRILASDV VSPLDVPGFD DATA SEQUENCE NSAXDGYAVR LADIASGQPL PVAGKSFAGQ PYHGEWPAGT CIRIXTGAPV DATA SEQUENCE PEGCEAVVXQ EQTEQXDNGV RFTAEVRSGQ NIRRRGEDIS AGAVVFPAGT DATA SEQUENCE RLTTAELPVI ASLGIAEVPV IRKVRVALFS TGDELQLPGQ PLGDGQIYDT DATA SEQUENCE NRLAVHLXLE QLGCEVINLG IIRDDPHALR AAFIEADSQA DVVISSGGVS DATA SEQUENCE VGEADYTKTI LEELGEIAFW KLAIKPGKPF AFGKLSNSWF CGLPGNPVSA DATA SEQUENCE TLTFYQLVQP LLAKLSGNTA SGLPARQRVR TASRLKKTPG RLDFQRGVLQ DATA SEQUENCE RNADGELEVT TTGHQGSHIF SSFSLGNCFI VLERDRGNVE VGEWVEVEPF DATA SEQUENCE NALF 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.721 174.700 0.034 0.000 1.109 5 T CA 0.000 62.122 62.100 0.036 0.000 1.349 5 T CB 0.000 68.896 68.868 0.047 0.000 0.612 6 G N 0.419 109.242 108.800 0.038 0.000 2.642 6 G HA2 0.712 4.675 3.960 0.005 0.000 0.293 6 G HA3 0.712 4.675 3.960 0.005 0.000 0.293 6 G C -1.501 173.421 174.900 0.035 0.000 1.341 6 G CA -0.705 44.413 45.100 0.031 0.000 0.916 6 G HN 0.717 nan 8.290 nan 0.000 0.474 10 L N 3.312 124.480 121.223 -0.092 0.000 2.027 10 L HA 0.102 4.445 4.340 0.005 0.000 0.206 10 L C 1.725 178.510 176.870 -0.142 0.000 1.074 10 L CA 3.099 57.871 54.840 -0.113 0.000 0.745 10 L CB -1.013 41.025 42.059 -0.036 0.000 0.898 10 L HN 0.879 nan 8.230 nan 0.000 0.433 11 D N -2.401 117.935 120.400 -0.105 0.000 2.219 11 D HA -0.146 4.497 4.640 0.005 0.000 0.205 11 D C 1.783 177.994 176.300 -0.149 0.000 0.970 11 D CA 1.407 55.340 54.000 -0.112 0.000 0.851 11 D CB -0.832 39.922 40.800 -0.077 0.000 0.943 11 D HN 0.308 nan 8.370 nan 0.000 0.488 12 T N 0.301 114.755 114.554 -0.168 0.000 2.701 12 T HA -0.072 4.281 4.350 0.005 0.000 0.263 12 T C 2.202 176.720 174.700 -0.302 0.000 1.040 12 T CA 1.619 63.598 62.100 -0.203 0.000 1.147 12 T CB -0.600 68.147 68.868 -0.202 0.000 0.865 12 T HN 0.330 nan 8.240 nan 0.000 0.426 13 A N 1.193 123.774 122.820 -0.398 0.000 1.908 13 A HA -0.041 4.282 4.320 0.005 0.000 0.218 13 A C 2.315 179.661 177.584 -0.397 0.000 1.181 13 A CA 1.363 53.044 52.037 -0.592 0.000 0.627 13 A CB -0.967 17.707 19.000 -0.544 0.000 0.818 13 A HN 0.477 nan 8.150 nan 0.000 0.445 14 L N -0.334 120.715 121.223 -0.290 0.000 1.976 14 L HA -0.219 4.124 4.340 0.005 0.000 0.209 14 L C 2.279 179.021 176.870 -0.213 0.000 1.071 14 L CA 1.802 56.495 54.840 -0.245 0.000 0.746 14 L CB -0.505 41.434 42.059 -0.200 0.000 0.890 14 L HN 0.394 nan 8.230 nan 0.000 0.432 15 N N 0.002 118.596 118.700 -0.177 0.000 2.137 15 N HA -0.193 4.550 4.740 0.005 0.000 0.190 15 N C 0.935 176.365 175.510 -0.133 0.000 1.017 15 N CA 0.775 53.742 53.050 -0.138 0.000 0.859 15 N CB -0.473 37.947 38.487 -0.111 0.000 1.002 15 N HN 0.405 nan 8.380 nan 0.000 0.428 19 S N 0.416 116.064 115.700 -0.087 0.000 2.474 19 S HA -0.021 4.452 4.470 0.005 0.000 0.235 19 S C 1.735 176.333 174.600 -0.004 0.000 0.997 19 S CA 0.463 58.642 58.200 -0.035 0.000 0.949 19 S CB -0.156 63.035 63.200 -0.016 0.000 0.766 19 S HN 0.331 nan 8.310 nan 0.000 0.517 20 R N 1.201 121.685 120.500 -0.027 0.000 2.210 20 R HA 0.238 4.581 4.340 0.005 0.000 0.203 20 R C 1.094 177.420 176.300 0.043 0.000 1.010 20 R CA 0.644 56.769 56.100 0.042 0.000 1.008 20 R CB -0.532 29.806 30.300 0.064 0.000 0.923 20 R HN 0.591 nan 8.270 nan 0.000 0.469 21 V N -0.835 119.013 119.914 -0.110 0.000 2.973 21 V HA 0.541 4.664 4.120 0.005 0.000 0.314 21 V C -0.117 176.019 176.094 0.069 0.000 1.066 21 V CA -0.588 61.691 62.300 -0.035 0.000 1.021 21 V CB 1.948 33.604 31.823 -0.278 0.000 1.076 21 V HN -0.071 nan 8.190 nan 0.000 0.462 22 T N 3.693 118.334 114.554 0.145 0.000 2.841 22 T HA 0.587 4.940 4.350 0.005 0.000 0.283 22 T C -2.744 172.009 174.700 0.087 0.000 1.000 22 T CA -0.851 61.312 62.100 0.106 0.000 0.977 22 T CB 1.576 70.518 68.868 0.123 0.000 0.979 22 T HN 0.869 nan 8.240 nan 0.000 0.446 23 P HA 0.295 nan 4.420 nan 0.000 0.276 23 P C -0.130 177.199 177.300 0.049 0.000 1.230 23 P CA -0.540 62.584 63.100 0.041 0.000 0.776 23 P CB 0.683 32.394 31.700 0.019 0.000 0.888 24 L N 2.268 123.522 121.223 0.051 0.000 2.503 24 L HA 0.012 4.355 4.340 0.005 0.000 0.287 24 L C 1.756 178.647 176.870 0.034 0.000 1.252 24 L CA 0.683 55.552 54.840 0.048 0.000 0.835 24 L CB -0.307 41.780 42.059 0.046 0.000 1.099 24 L HN 0.555 nan 8.230 nan 0.000 0.516 25 T N -2.646 111.928 114.554 0.032 0.000 2.986 25 T HA 0.290 4.643 4.350 0.005 0.000 0.264 25 T C 0.530 175.243 174.700 0.022 0.000 0.964 25 T CA 0.169 62.284 62.100 0.025 0.000 0.895 25 T CB 0.343 69.226 68.868 0.025 0.000 1.163 25 T HN 0.593 nan 8.240 nan 0.000 0.517 26 A N 2.681 125.515 122.820 0.023 0.000 2.520 26 A HA 0.524 4.847 4.320 0.005 0.000 0.245 26 A C 0.408 178.003 177.584 0.018 0.000 1.072 26 A CA -0.445 51.604 52.037 0.020 0.000 0.761 26 A CB 0.006 19.019 19.000 0.021 0.000 1.004 26 A HN 0.720 nan 8.150 nan 0.000 0.499 27 Q N 1.492 121.301 119.800 0.016 0.000 2.572 27 Q HA 0.809 5.152 4.340 0.005 0.000 0.284 27 Q C -0.815 175.193 176.000 0.013 0.000 1.091 27 Q CA -0.927 54.884 55.803 0.014 0.000 0.840 27 Q CB 1.501 30.247 28.738 0.013 0.000 1.433 27 Q HN 0.798 nan 8.270 nan 0.000 0.471 28 E N -0.251 119.957 120.200 0.012 0.000 2.378 28 E HA 0.363 4.716 4.350 0.005 0.000 0.283 28 E C -1.482 175.125 176.600 0.012 0.000 0.979 28 E CA -0.839 55.569 56.400 0.013 0.000 0.795 28 E CB 1.927 31.635 29.700 0.013 0.000 1.221 28 E HN 0.497 nan 8.360 nan 0.000 0.428 29 T N 3.417 117.979 114.554 0.013 0.000 2.767 29 T HA 0.529 4.882 4.350 0.005 0.000 0.288 29 T C -0.308 174.400 174.700 0.013 0.000 0.963 29 T CA -0.383 61.725 62.100 0.013 0.000 1.019 29 T CB 0.253 69.129 68.868 0.014 0.000 0.923 29 T HN 0.316 nan 8.240 nan 0.000 0.468 30 L N 4.976 126.207 121.223 0.013 0.000 2.409 30 L HA 0.530 4.873 4.340 0.005 0.000 0.262 30 L C -2.317 174.563 176.870 0.016 0.000 0.992 30 L CA -2.796 52.053 54.840 0.015 0.000 0.817 30 L CB 2.538 44.606 42.059 0.016 0.000 1.350 30 L HN 0.349 nan 8.230 nan 0.000 0.411 31 P HA 0.069 nan 4.420 nan 0.000 0.269 31 P C 0.835 178.148 177.300 0.022 0.000 1.215 31 P CA -0.211 62.901 63.100 0.020 0.000 0.780 31 P CB 0.987 32.699 31.700 0.020 0.000 0.898 32 L N 2.367 123.603 121.223 0.023 0.000 2.013 32 L HA -0.173 4.170 4.340 0.005 0.000 0.212 32 L C 2.638 179.528 176.870 0.034 0.000 1.073 32 L CA 1.422 56.275 54.840 0.023 0.000 0.753 32 L CB -1.120 40.954 42.059 0.025 0.000 0.890 32 L HN 0.224 nan 8.230 nan 0.000 0.432 33 V N -0.199 119.737 119.914 0.037 0.000 2.828 33 V HA -0.272 3.851 4.120 0.005 0.000 0.260 33 V C 2.067 178.194 176.094 0.054 0.000 1.101 33 V CA 1.756 64.084 62.300 0.046 0.000 1.123 33 V CB -0.289 31.555 31.823 0.035 0.000 0.704 33 V HN 0.556 nan 8.190 nan 0.000 0.493 34 Q N -2.097 117.730 119.800 0.045 0.000 2.319 34 Q HA 0.076 4.419 4.340 0.005 0.000 0.202 34 Q C 1.662 177.696 176.000 0.056 0.000 0.896 34 Q CA 0.500 56.332 55.803 0.048 0.000 0.942 34 Q CB 0.239 28.997 28.738 0.033 0.000 1.083 34 Q HN 0.680 nan 8.270 nan 0.000 0.510 35 C N 0.518 119.849 119.300 0.052 0.000 2.697 35 C HA 0.180 4.643 4.460 0.005 0.000 0.267 35 C C 0.665 175.669 174.990 0.024 0.000 1.278 35 C CA -0.851 58.183 59.018 0.026 0.000 1.708 35 C CB -1.493 26.238 27.740 -0.014 0.000 1.860 35 C HN 0.377 nan 8.230 nan 0.000 0.589 36 F N 1.704 121.642 119.950 -0.021 0.000 2.590 36 F HA 0.391 4.921 4.527 0.005 0.000 0.389 36 F C 1.408 177.194 175.800 -0.023 0.000 1.049 36 F CA 1.811 59.796 58.000 -0.025 0.000 1.199 36 F CB 0.202 39.191 39.000 -0.017 0.000 1.058 36 F HN 0.469 nan 8.300 nan 0.000 0.556 37 G N 3.948 112.499 108.800 -0.415 0.000 2.205 37 G HA2 -0.264 3.699 3.960 0.005 0.000 0.261 37 G HA3 -0.264 3.699 3.960 0.005 0.000 0.261 37 G C 0.505 175.348 174.900 -0.095 0.000 0.980 37 G CA -0.129 44.866 45.100 -0.175 0.000 0.632 37 G HN 0.614 nan 8.290 nan 0.000 0.533 38 R N 0.192 120.640 120.500 -0.088 0.000 2.560 38 R HA 0.537 4.880 4.340 0.005 0.000 0.270 38 R C 0.626 176.879 176.300 -0.078 0.000 1.074 38 R CA -0.703 55.365 56.100 -0.054 0.000 1.140 38 R CB 0.414 30.697 30.300 -0.029 0.000 1.073 38 R HN 0.232 nan 8.270 nan 0.000 0.527 39 I N 3.233 123.772 120.570 -0.051 0.000 2.315 39 I HA 0.210 4.383 4.170 0.005 0.000 0.291 39 I C 0.790 176.886 176.117 -0.036 0.000 1.006 39 I CA -0.784 60.485 61.300 -0.051 0.000 1.265 39 I CB 0.619 38.599 38.000 -0.034 0.000 1.387 39 I HN 0.314 nan 8.210 nan 0.000 0.475 40 L N 5.177 126.376 121.223 -0.040 0.000 2.559 40 L HA 0.006 4.349 4.340 0.005 0.000 0.274 40 L C 1.497 178.366 176.870 -0.002 0.000 1.205 40 L CA 0.016 54.846 54.840 -0.017 0.000 0.907 40 L CB 0.893 42.948 42.059 -0.006 0.000 1.153 40 L HN 0.795 nan 8.230 nan 0.000 0.490 41 A N 2.781 125.604 122.820 0.004 0.000 2.072 41 A HA 0.128 4.451 4.320 0.005 0.000 0.216 41 A C 0.822 178.414 177.584 0.014 0.000 1.156 41 A CA 0.551 52.593 52.037 0.009 0.000 0.701 41 A CB 0.110 19.116 19.000 0.010 0.000 0.816 41 A HN 0.665 nan 8.150 nan 0.000 0.458 42 S N -0.368 115.344 115.700 0.019 0.000 2.607 42 S HA 0.406 4.879 4.470 0.005 0.000 0.273 42 S C -1.764 172.856 174.600 0.033 0.000 1.148 42 S CA -0.978 57.236 58.200 0.023 0.000 0.833 42 S CB 1.162 64.374 63.200 0.021 0.000 1.130 42 S HN 0.309 nan 8.310 nan 0.000 0.470 43 D N 1.356 121.775 120.400 0.033 0.000 2.423 43 D HA 0.236 4.879 4.640 0.005 0.000 0.238 43 D C -0.419 175.910 176.300 0.047 0.000 1.142 43 D CA 0.123 54.149 54.000 0.043 0.000 0.884 43 D CB 0.622 41.438 40.800 0.026 0.000 1.199 43 D HN 0.144 nan 8.370 nan 0.000 0.438 44 V N 2.862 122.818 119.914 0.070 0.000 2.333 44 V HA 0.160 4.283 4.120 0.005 0.000 0.274 44 V C 0.196 176.302 176.094 0.021 0.000 1.028 44 V CA -0.574 61.766 62.300 0.067 0.000 0.851 44 V CB 1.446 33.353 31.823 0.141 0.000 1.000 44 V HN 0.218 nan 8.190 nan 0.000 0.456 45 V N 4.377 124.296 119.914 0.009 0.000 2.398 45 V HA 0.342 4.465 4.120 0.005 0.000 0.286 45 V C 0.530 176.618 176.094 -0.011 0.000 1.026 45 V CA -0.336 61.957 62.300 -0.012 0.000 0.868 45 V CB 1.973 33.792 31.823 -0.007 0.000 0.982 45 V HN 0.841 nan 8.190 nan 0.000 0.443 46 S N 6.781 122.464 115.700 -0.028 0.000 2.516 46 S HA 0.217 4.690 4.470 0.005 0.000 0.282 46 S C -0.988 173.606 174.600 -0.011 0.000 1.286 46 S CA -0.794 57.393 58.200 -0.022 0.000 1.066 46 S CB 0.875 64.051 63.200 -0.039 0.000 0.884 46 S HN 0.728 nan 8.310 nan 0.000 0.491 47 P HA 0.211 nan 4.420 nan 0.000 0.251 47 P C -0.347 176.956 177.300 0.005 0.000 1.223 47 P CA 0.326 63.428 63.100 0.004 0.000 0.796 47 P CB 0.203 31.908 31.700 0.010 0.000 1.068 48 L N -0.866 120.357 121.223 0.001 0.000 2.327 48 L HA 0.500 4.843 4.340 0.005 0.000 0.258 48 L C -0.263 176.602 176.870 -0.009 0.000 1.024 48 L CA -1.146 53.696 54.840 0.003 0.000 0.825 48 L CB 1.526 43.591 42.059 0.010 0.000 1.386 48 L HN -0.354 nan 8.230 nan 0.000 0.417 49 D N 0.697 121.093 120.400 -0.007 0.000 2.255 49 D HA 0.469 5.112 4.640 0.005 0.000 0.249 49 D C -0.860 175.416 176.300 -0.039 0.000 1.078 49 D CA 0.034 54.022 54.000 -0.020 0.000 0.896 49 D CB 2.216 43.011 40.800 -0.009 0.000 1.194 49 D HN 0.013 nan 8.370 nan 0.000 0.429 50 V N 4.734 124.617 119.914 -0.053 0.000 2.443 50 V HA 0.323 4.446 4.120 0.005 0.000 0.293 50 V C -2.133 173.911 176.094 -0.083 0.000 1.021 50 V CA -1.509 60.746 62.300 -0.075 0.000 0.848 50 V CB 2.030 33.816 31.823 -0.062 0.000 0.998 50 V HN 0.448 nan 8.190 nan 0.000 0.424 51 P HA 0.160 nan 4.420 nan 0.000 0.274 51 P C 0.855 178.037 177.300 -0.197 0.000 1.256 51 P CA -0.035 62.943 63.100 -0.203 0.000 0.795 51 P CB 1.221 32.748 31.700 -0.289 0.000 1.038 52 G N -0.117 108.522 108.800 -0.270 0.000 2.744 52 G HA2 0.203 4.166 3.960 0.005 0.000 0.211 52 G HA3 0.203 4.166 3.960 0.005 0.000 0.211 52 G C -0.029 174.900 174.900 0.049 0.000 1.143 52 G CA 0.140 45.186 45.100 -0.090 0.000 0.788 52 G HN 0.612 nan 8.290 nan 0.000 0.534 53 F N -2.470 117.487 119.950 0.013 0.000 2.725 53 F HA 0.429 4.959 4.527 0.005 0.000 0.309 53 F C -1.850 173.957 175.800 0.011 0.000 1.132 53 F CA -2.482 55.527 58.000 0.015 0.000 0.957 53 F CB 0.219 39.230 39.000 0.019 0.000 1.286 53 F HN -0.264 nan 8.300 nan 0.000 0.440 54 D N 2.456 123.014 120.400 0.263 0.000 2.451 54 D HA 0.257 4.900 4.640 0.005 0.000 0.254 54 D C -0.377 176.071 176.300 0.246 0.000 1.204 54 D CA 0.872 54.971 54.000 0.165 0.000 0.896 54 D CB 0.211 41.087 40.800 0.127 0.000 1.136 54 D HN 0.773 nan 8.370 nan 0.000 0.499 55 N N -0.648 118.129 118.700 0.130 0.000 2.509 55 N HA 0.433 5.176 4.740 0.005 0.000 0.280 55 N C -1.006 174.542 175.510 0.063 0.000 1.306 55 N CA -1.027 52.111 53.050 0.148 0.000 0.782 55 N CB 1.371 39.933 38.487 0.125 0.000 1.493 55 N HN 0.068 nan 8.380 nan 0.000 0.498 56 S N -0.593 115.139 115.700 0.054 0.000 2.545 56 S HA 0.656 5.129 4.470 0.005 0.000 0.275 56 S C -0.153 174.457 174.600 0.016 0.000 1.299 56 S CA -0.479 57.734 58.200 0.021 0.000 1.048 56 S CB -0.237 62.962 63.200 -0.001 0.000 0.938 56 S HN 0.764 nan 8.310 nan 0.000 0.496 60 G N 0.190 108.929 108.800 -0.101 0.000 2.498 60 G HA2 0.361 4.324 3.960 0.005 0.000 0.181 60 G HA3 0.361 4.324 3.960 0.005 0.000 0.181 60 G C -1.927 172.805 174.900 -0.279 0.000 1.169 60 G CA -0.574 44.493 45.100 -0.055 0.000 0.992 60 G HN 0.243 nan 8.290 nan 0.000 0.490 61 Y N 0.461 120.800 120.300 0.066 0.000 2.477 61 Y HA 0.750 5.303 4.550 0.005 0.000 0.347 61 Y C 0.483 176.391 175.900 0.013 0.000 0.981 61 Y CA -0.360 57.778 58.100 0.062 0.000 1.033 61 Y CB 2.370 40.980 38.460 0.250 0.000 1.245 61 Y HN 0.815 nan 8.280 nan 0.000 0.455 62 A N 2.590 125.445 122.820 0.058 0.000 2.301 62 A HA 0.870 5.193 4.320 0.005 0.000 0.312 62 A C -0.515 177.114 177.584 0.075 0.000 1.182 62 A CA -0.413 51.617 52.037 -0.012 0.000 0.826 62 A CB 0.416 19.317 19.000 -0.166 0.000 1.134 62 A HN 0.943 nan 8.150 nan 0.000 0.501 63 V N 0.039 120.027 119.914 0.123 0.000 3.202 63 V HA 0.748 4.871 4.120 0.005 0.000 0.306 63 V C -0.729 175.501 176.094 0.225 0.000 1.283 63 V CA -1.335 61.098 62.300 0.223 0.000 1.065 63 V CB 1.747 33.522 31.823 -0.080 0.000 1.079 63 V HN 0.896 nan 8.190 nan 0.000 0.448 64 R N 0.787 121.373 120.500 0.143 0.000 2.393 64 R HA 0.592 4.935 4.340 0.005 0.000 0.310 64 R C 0.772 177.052 176.300 -0.034 0.000 0.968 64 R CA -0.760 55.350 56.100 0.017 0.000 0.867 64 R CB 1.982 32.206 30.300 -0.126 0.000 1.124 64 R HN 0.755 nan 8.270 nan 0.000 0.450 65 L N 1.779 122.981 121.223 -0.036 0.000 2.043 65 L HA -0.264 4.079 4.340 0.005 0.000 0.212 65 L C 2.361 179.203 176.870 -0.047 0.000 1.075 65 L CA 1.856 56.667 54.840 -0.047 0.000 0.752 65 L CB -0.469 41.570 42.059 -0.034 0.000 0.891 65 L HN 0.825 nan 8.230 nan 0.000 0.432 66 A N -0.593 122.198 122.820 -0.049 0.000 2.070 66 A HA -0.205 4.118 4.320 0.005 0.000 0.220 66 A C 1.809 179.368 177.584 -0.041 0.000 1.159 66 A CA 1.799 53.808 52.037 -0.046 0.000 0.656 66 A CB -0.361 18.606 19.000 -0.056 0.000 0.800 66 A HN 0.385 nan 8.150 nan 0.000 0.453 67 D N -0.220 120.153 120.400 -0.045 0.000 2.213 67 D HA -0.031 4.612 4.640 0.005 0.000 0.205 67 D C 1.850 178.149 176.300 -0.003 0.000 0.961 67 D CA 0.519 54.506 54.000 -0.021 0.000 0.853 67 D CB -0.124 40.671 40.800 -0.008 0.000 0.967 67 D HN 0.335 nan 8.370 nan 0.000 0.496 68 I N 1.615 122.164 120.570 -0.036 0.000 2.202 68 I HA -0.164 4.009 4.170 0.005 0.000 0.242 68 I C 2.510 178.631 176.117 0.006 0.000 1.091 68 I CA 0.615 61.897 61.300 -0.030 0.000 1.368 68 I CB -1.371 36.569 38.000 -0.100 0.000 1.058 68 I HN -0.124 nan 8.210 nan 0.000 0.410 69 A N 1.361 124.175 122.820 -0.009 0.000 2.042 69 A HA -0.263 4.060 4.320 0.005 0.000 0.222 69 A C 2.497 180.085 177.584 0.007 0.000 1.167 69 A CA 2.409 54.445 52.037 -0.002 0.000 0.649 69 A CB -0.876 18.118 19.000 -0.011 0.000 0.809 69 A HN 0.622 nan 8.150 nan 0.000 0.457 70 S N -1.896 113.811 115.700 0.011 0.000 2.423 70 S HA 0.231 4.704 4.470 0.005 0.000 0.231 70 S C 1.811 176.424 174.600 0.022 0.000 1.014 70 S CA 1.354 59.563 58.200 0.014 0.000 0.965 70 S CB -0.722 62.488 63.200 0.016 0.000 0.785 70 S HN 2.011 nan 8.310 nan 0.000 0.495 71 G N 0.459 109.280 108.800 0.035 0.000 2.205 71 G HA2 -0.266 3.698 3.960 0.005 0.000 0.261 71 G HA3 -0.266 3.698 3.960 0.005 0.000 0.261 71 G C -0.078 174.843 174.900 0.035 0.000 0.980 71 G CA 0.397 45.519 45.100 0.037 0.000 0.632 71 G HN 0.641 nan 8.290 nan 0.000 0.533 72 Q N 1.342 121.164 119.800 0.036 0.000 2.222 72 Q HA 0.448 4.791 4.340 0.005 0.000 0.252 72 Q C -2.236 173.788 176.000 0.039 0.000 0.926 72 Q CA -1.836 53.983 55.803 0.027 0.000 0.899 72 Q CB 1.725 30.475 28.738 0.020 0.000 1.250 72 Q HN 0.291 nan 8.270 nan 0.000 0.441 73 P HA -0.030 nan 4.420 nan 0.000 0.263 73 P C -1.021 176.292 177.300 0.023 0.000 1.195 73 P CA 0.546 63.639 63.100 -0.010 0.000 0.762 73 P CB 0.435 32.112 31.700 -0.038 0.000 0.799 74 L N 6.513 127.765 121.223 0.048 0.000 2.265 74 L HA 0.390 4.733 4.340 0.005 0.000 0.289 74 L C -1.810 175.100 176.870 0.067 0.000 1.033 74 L CA -2.458 52.441 54.840 0.098 0.000 0.814 74 L CB 1.530 43.716 42.059 0.212 0.000 1.203 74 L HN 0.217 nan 8.230 nan 0.000 0.423 75 P HA 0.044 nan 4.420 nan 0.000 0.275 75 P C -0.357 176.995 177.300 0.088 0.000 1.228 75 P CA -0.298 62.835 63.100 0.055 0.000 0.786 75 P CB 1.375 33.104 31.700 0.048 0.000 0.927 76 V N 2.984 122.940 119.914 0.070 0.000 2.397 76 V HA 0.073 4.197 4.120 0.005 0.000 0.262 76 V C 1.878 177.969 176.094 -0.006 0.000 1.047 76 V CA 0.576 62.908 62.300 0.054 0.000 1.003 76 V CB -0.339 31.517 31.823 0.054 0.000 1.037 76 V HN 0.706 nan 8.190 nan 0.000 0.480 77 A N 4.141 126.953 122.820 -0.014 0.000 2.067 77 A HA 0.461 4.784 4.320 0.005 0.000 0.219 77 A C 1.207 178.652 177.584 -0.231 0.000 1.158 77 A CA 1.259 53.284 52.037 -0.020 0.000 0.661 77 A CB -0.117 18.960 19.000 0.129 0.000 0.801 77 A HN 1.150 nan 8.150 nan 0.000 0.452 78 G N -1.776 106.727 108.800 -0.495 0.000 2.342 78 G HA2 0.468 4.431 3.960 0.005 0.000 0.297 78 G HA3 0.468 4.431 3.960 0.005 0.000 0.297 78 G C -1.489 172.972 174.900 -0.733 0.000 1.313 78 G CA -0.388 44.232 45.100 -0.800 0.000 0.830 78 G HN 0.255 nan 8.290 nan 0.000 0.506 79 K N -0.359 119.637 120.400 -0.672 0.000 2.427 79 K HA 0.679 5.002 4.320 0.005 0.000 0.252 79 K C -1.142 175.024 176.600 -0.723 0.000 0.931 79 K CA -0.570 55.329 56.287 -0.646 0.000 0.793 79 K CB 2.083 34.251 32.500 -0.552 0.000 1.211 79 K HN 0.553 nan 8.250 nan 0.000 0.426 80 S N 3.612 118.865 115.700 -0.745 0.000 2.498 80 S HA 0.630 5.103 4.470 0.005 0.000 0.317 80 S C -1.306 172.906 174.600 -0.647 0.000 1.090 80 S CA -0.642 57.221 58.200 -0.562 0.000 1.089 80 S CB 0.160 63.163 63.200 -0.330 0.000 0.997 80 S HN 0.406 nan 8.310 nan 0.000 0.470 81 F N 2.113 122.030 119.950 -0.056 0.000 2.556 81 F HA 0.632 5.162 4.527 0.005 0.000 0.327 81 F C 1.299 177.087 175.800 -0.019 0.000 1.059 81 F CA -0.915 57.063 58.000 -0.038 0.000 0.953 81 F CB 1.024 40.007 39.000 -0.028 0.000 1.227 81 F HN 0.642 nan 8.300 nan 0.000 0.478 82 A N 1.235 124.178 122.820 0.203 0.000 1.933 82 A HA 0.004 4.327 4.320 0.005 0.000 0.218 82 A C 2.181 179.840 177.584 0.126 0.000 1.175 82 A CA 2.000 54.123 52.037 0.143 0.000 0.628 82 A CB -1.376 17.702 19.000 0.131 0.000 0.814 82 A HN 0.971 nan 8.150 nan 0.000 0.444 83 G N -2.082 106.795 108.800 0.130 0.000 2.511 83 G HA2 0.158 4.121 3.960 0.005 0.000 0.217 83 G HA3 0.158 4.121 3.960 0.005 0.000 0.217 83 G C 0.707 175.664 174.900 0.096 0.000 1.133 83 G CA 0.360 45.512 45.100 0.087 0.000 0.792 83 G HN 0.524 nan 8.290 nan 0.000 0.539 84 Q N 0.643 120.535 119.800 0.154 0.000 2.878 84 Q HA 0.193 4.536 4.340 0.005 0.000 0.232 84 Q C -2.820 173.247 176.000 0.111 0.000 0.893 84 Q CA -1.564 54.325 55.803 0.143 0.000 0.742 84 Q CB 3.121 31.964 28.738 0.175 0.000 1.354 84 Q HN 0.189 nan 8.270 nan 0.000 0.466 85 P HA -0.053 nan 4.420 nan 0.000 0.272 85 P C -0.902 176.256 177.300 -0.237 0.000 1.230 85 P CA -0.221 62.782 63.100 -0.162 0.000 0.788 85 P CB 0.731 32.268 31.700 -0.270 0.000 0.949 86 Y N 1.909 121.963 120.300 -0.409 0.000 2.319 86 Y HA 0.146 4.699 4.550 0.005 0.000 0.328 86 Y C 1.044 176.651 175.900 -0.489 0.000 1.133 86 Y CA 0.415 58.307 58.100 -0.347 0.000 1.265 86 Y CB 0.408 38.681 38.460 -0.311 0.000 1.218 86 Y HN 0.417 nan 8.280 nan 0.000 0.508 87 H N 3.547 122.217 119.070 -0.667 0.000 3.182 87 H HA 0.243 4.802 4.556 0.005 0.000 0.254 87 H C 0.722 175.658 175.328 -0.654 0.000 1.197 87 H CA 0.274 56.022 56.048 -0.500 0.000 1.061 87 H CB 0.390 30.003 29.762 -0.248 0.000 1.722 87 H HN 0.841 nan 8.280 nan 0.000 0.662 88 G N 0.642 108.650 108.800 -1.319 0.000 2.516 88 G HA2 0.162 4.125 3.960 0.005 0.000 0.276 88 G HA3 0.162 4.125 3.960 0.005 0.000 0.276 88 G C 0.052 174.815 174.900 -0.229 0.000 1.390 88 G CA -0.549 44.131 45.100 -0.701 0.000 1.050 88 G HN 0.182 nan 8.290 nan 0.000 0.519 89 E N -1.038 119.216 120.200 0.090 0.000 2.354 89 E HA 0.140 4.493 4.350 0.005 0.000 0.269 89 E C -1.227 175.622 176.600 0.414 0.000 1.036 89 E CA -0.304 56.218 56.400 0.203 0.000 0.876 89 E CB 1.612 31.406 29.700 0.156 0.000 1.009 89 E HN 0.386 nan 8.360 nan 0.000 0.416 90 W N 5.985 127.373 121.300 0.147 0.000 2.148 90 W HA 0.273 4.936 4.660 0.005 0.000 0.288 90 W C -2.476 174.091 176.519 0.081 0.000 0.920 90 W CA -2.895 54.536 57.345 0.145 0.000 1.904 90 W CB 0.164 29.714 29.460 0.149 0.000 2.083 90 W HN 0.405 nan 8.180 nan 0.000 0.398 91 P HA 0.240 nan 4.420 nan 0.000 0.271 91 P C 0.048 177.285 177.300 -0.104 0.000 1.233 91 P CA -0.042 63.073 63.100 0.025 0.000 0.789 91 P CB 0.823 32.566 31.700 0.071 0.000 0.951 92 A N 0.636 123.379 122.820 -0.128 0.000 2.507 92 A HA 0.410 4.733 4.320 0.005 0.000 0.235 92 A C 1.442 178.983 177.584 -0.072 0.000 1.070 92 A CA 0.571 52.514 52.037 -0.157 0.000 0.768 92 A CB -1.306 17.626 19.000 -0.113 0.000 1.011 92 A HN 1.008 nan 8.150 nan 0.000 0.502 93 G N 0.448 109.210 108.800 -0.064 0.000 2.153 93 G HA2 -0.085 3.878 3.960 0.005 0.000 0.252 93 G HA3 -0.085 3.878 3.960 0.005 0.000 0.252 93 G C 0.405 175.350 174.900 0.075 0.000 0.994 93 G CA 1.381 46.485 45.100 0.007 0.000 0.698 93 G HN 2.393 nan 8.290 nan 0.000 0.521 94 T N -2.845 111.786 114.554 0.129 0.000 2.901 94 T HA 0.759 5.112 4.350 0.005 0.000 0.293 94 T C 0.414 175.414 174.700 0.499 0.000 1.084 94 T CA -0.141 62.118 62.100 0.265 0.000 1.008 94 T CB 2.586 71.626 68.868 0.286 0.000 1.170 94 T HN 1.594 nan 8.240 nan 0.000 0.509 95 C N 0.376 119.914 119.300 0.396 0.000 2.973 95 C HA 0.924 5.387 4.460 0.005 0.000 0.329 95 C C -0.749 174.284 174.990 0.071 0.000 1.327 95 C CA -1.198 58.037 59.018 0.362 0.000 1.632 95 C CB -0.076 27.893 27.740 0.383 0.000 2.098 95 C HN 0.988 nan 8.230 nan 0.000 0.469 96 I N 1.275 121.780 120.570 -0.109 0.000 2.499 96 I HA 0.427 4.600 4.170 0.005 0.000 0.288 96 I C -0.351 175.607 176.117 -0.265 0.000 1.048 96 I CA -0.443 60.648 61.300 -0.349 0.000 1.062 96 I CB 1.608 39.182 38.000 -0.710 0.000 1.238 96 I HN 0.658 nan 8.210 nan 0.000 0.426 97 R N 6.273 126.561 120.500 -0.354 0.000 2.370 97 R HA 0.504 4.847 4.340 0.005 0.000 0.309 97 R C -1.103 174.899 176.300 -0.498 0.000 1.059 97 R CA 0.417 56.197 56.100 -0.535 0.000 0.981 97 R CB 0.149 30.153 30.300 -0.494 0.000 0.972 97 R HN 0.658 nan 8.270 nan 0.000 0.437 101 G N 2.085 110.912 108.800 0.046 0.000 2.258 101 G HA2 0.009 3.972 3.960 0.005 0.000 0.233 101 G HA3 0.009 3.972 3.960 0.005 0.000 0.233 101 G C 0.486 175.470 174.900 0.141 0.000 1.006 101 G CA 0.052 45.196 45.100 0.073 0.000 0.620 101 G HN 1.556 nan 8.290 nan 0.000 0.511 102 A N 2.262 125.142 122.820 0.101 0.000 2.498 102 A HA 0.600 4.923 4.320 0.005 0.000 0.239 102 A C -1.132 176.528 177.584 0.127 0.000 1.068 102 A CA -0.080 52.010 52.037 0.089 0.000 0.766 102 A CB 0.188 19.181 19.000 -0.012 0.000 1.003 102 A HN 0.342 nan 8.150 nan 0.000 0.497 103 P HA 0.251 nan 4.420 nan 0.000 0.274 103 P C 0.033 177.337 177.300 0.007 0.000 1.231 103 P CA -0.089 63.080 63.100 0.115 0.000 0.790 103 P CB 0.777 32.324 31.700 -0.256 0.000 0.951 104 V N -0.208 119.733 119.914 0.046 0.000 2.775 104 V HA 0.351 4.474 4.120 0.005 0.000 0.299 104 V C -2.295 173.780 176.094 -0.032 0.000 1.062 104 V CA -1.869 60.427 62.300 -0.006 0.000 1.063 104 V CB -0.669 31.176 31.823 0.037 0.000 0.994 104 V HN 0.416 nan 8.190 nan 0.000 0.483 105 P HA 0.236 nan 4.420 nan 0.000 0.272 105 P C 0.580 177.959 177.300 0.132 0.000 1.240 105 P CA -0.234 62.820 63.100 -0.076 0.000 0.791 105 P CB 0.475 31.928 31.700 -0.411 0.000 0.978 106 E N 1.021 121.351 120.200 0.216 0.000 2.336 106 E HA -0.248 4.105 4.350 0.005 0.000 0.247 106 E C 1.613 178.369 176.600 0.260 0.000 0.953 106 E CA 2.446 58.996 56.400 0.251 0.000 0.997 106 E CB -1.554 28.335 29.700 0.316 0.000 0.972 106 E HN 0.646 nan 8.360 nan 0.000 0.542 107 G N -0.433 108.576 108.800 0.347 0.000 3.678 107 G HA2 0.204 4.167 3.960 0.005 0.000 0.287 107 G HA3 0.204 4.167 3.960 0.005 0.000 0.287 107 G C -0.164 174.907 174.900 0.285 0.000 1.280 107 G CA -0.161 45.064 45.100 0.209 0.000 1.118 107 G HN 0.437 nan 8.290 nan 0.000 0.563 108 C N 0.176 119.713 119.300 0.396 0.000 2.679 108 C HA 0.309 4.772 4.460 0.005 0.000 0.417 108 C C 1.347 176.438 174.990 0.168 0.000 1.302 108 C CA 0.045 59.267 59.018 0.340 0.000 1.973 108 C CB 0.405 28.252 27.740 0.178 0.000 2.715 108 C HN 0.708 nan 8.230 nan 0.000 0.628 109 E N 2.093 122.371 120.200 0.130 0.000 2.541 109 E HA 0.386 4.739 4.350 0.005 0.000 0.219 109 E C 0.090 176.713 176.600 0.037 0.000 0.922 109 E CA 0.357 56.795 56.400 0.064 0.000 1.095 109 E CB 0.823 30.545 29.700 0.037 0.000 1.112 109 E HN 0.828 nan 8.360 nan 0.000 0.516 110 A N 0.379 123.221 122.820 0.036 0.000 2.567 110 A HA 0.513 4.836 4.320 0.005 0.000 0.291 110 A C -1.677 175.911 177.584 0.005 0.000 1.048 110 A CA -0.556 51.487 52.037 0.010 0.000 0.661 110 A CB 1.333 20.323 19.000 -0.016 0.000 1.288 110 A HN -0.042 nan 8.150 nan 0.000 0.424 111 V N 0.976 120.894 119.914 0.007 0.000 2.540 111 V HA 0.619 4.742 4.120 0.005 0.000 0.302 111 V C -0.091 176.028 176.094 0.041 0.000 1.035 111 V CA -0.413 61.900 62.300 0.022 0.000 0.873 111 V CB 1.535 33.369 31.823 0.019 0.000 0.992 111 V HN 0.881 nan 8.190 nan 0.000 0.428 115 E N 1.757 122.012 120.200 0.092 0.000 2.152 115 E HA -0.049 4.304 4.350 0.005 0.000 0.192 115 E C 0.573 177.204 176.600 0.052 0.000 0.983 115 E CA 1.074 57.509 56.400 0.060 0.000 0.818 115 E CB 0.198 29.927 29.700 0.049 0.000 0.758 115 E HN 0.376 nan 8.360 nan 0.000 0.467 116 Q N 0.945 120.792 119.800 0.078 0.000 2.526 116 Q HA 0.089 4.432 4.340 0.005 0.000 0.353 116 Q C -0.378 175.661 176.000 0.065 0.000 0.977 116 Q CA 0.005 55.852 55.803 0.075 0.000 1.027 116 Q CB 0.562 29.360 28.738 0.100 0.000 1.272 116 Q HN 0.057 nan 8.270 nan 0.000 0.420 117 T N -2.988 111.551 114.554 -0.026 0.000 2.868 117 T HA 0.477 4.830 4.350 0.005 0.000 0.306 117 T C -1.283 173.296 174.700 -0.202 0.000 1.224 117 T CA -0.896 61.075 62.100 -0.216 0.000 1.012 117 T CB 2.721 71.340 68.868 -0.414 0.000 1.221 117 T HN 0.204 nan 8.240 nan 0.000 0.499 118 E N 1.388 121.420 120.200 -0.280 0.000 2.234 118 E HA 0.431 4.784 4.350 0.005 0.000 0.266 118 E C -0.557 175.906 176.600 -0.228 0.000 0.877 118 E CA -0.642 55.644 56.400 -0.189 0.000 0.758 118 E CB 2.218 31.840 29.700 -0.130 0.000 1.170 118 E HN 0.671 nan 8.360 nan 0.000 0.415 122 N N 1.216 119.906 118.700 -0.017 0.000 2.926 122 N HA -0.117 4.626 4.740 0.005 0.000 0.249 122 N C 0.070 175.572 175.510 -0.013 0.000 1.100 122 N CA 1.346 54.391 53.050 -0.009 0.000 0.777 122 N CB -1.167 37.319 38.487 -0.002 0.000 1.112 122 N HN 0.714 nan 8.380 nan 0.000 0.552 123 G N -1.594 107.186 108.800 -0.034 0.000 2.338 123 G HA2 0.450 4.413 3.960 0.005 0.000 0.295 123 G HA3 0.450 4.413 3.960 0.005 0.000 0.295 123 G C -1.619 173.205 174.900 -0.127 0.000 1.461 123 G CA -0.370 44.699 45.100 -0.050 0.000 0.817 123 G HN 0.154 nan 8.290 nan 0.000 0.556 124 V N 0.603 120.397 119.914 -0.200 0.000 2.459 124 V HA 0.716 4.839 4.120 0.005 0.000 0.295 124 V C 0.365 176.140 176.094 -0.532 0.000 1.029 124 V CA -0.735 61.295 62.300 -0.450 0.000 0.874 124 V CB 1.635 32.997 31.823 -0.769 0.000 0.985 124 V HN 0.805 nan 8.190 nan 0.000 0.438 125 R N 2.991 123.166 120.500 -0.541 0.000 2.589 125 R HA 0.636 4.979 4.340 0.005 0.000 0.293 125 R C -1.674 174.297 176.300 -0.548 0.000 0.963 125 R CA -0.543 55.335 56.100 -0.371 0.000 0.905 125 R CB 1.314 31.517 30.300 -0.162 0.000 1.144 125 R HN 0.543 nan 8.270 nan 0.000 0.459 126 F N 1.407 121.312 119.950 -0.074 0.000 2.427 126 F HA 0.305 4.835 4.527 0.005 0.000 0.346 126 F C 0.217 175.998 175.800 -0.033 0.000 1.120 126 F CA -0.611 57.354 58.000 -0.059 0.000 1.033 126 F CB 2.210 41.181 39.000 -0.047 0.000 1.126 126 F HN 0.288 nan 8.300 nan 0.000 0.462 127 T N 3.213 117.833 114.554 0.108 0.000 2.738 127 T HA 0.719 5.072 4.350 0.005 0.000 0.298 127 T C -0.271 174.475 174.700 0.076 0.000 0.962 127 T CA -0.397 61.742 62.100 0.066 0.000 0.972 127 T CB 0.594 69.476 68.868 0.023 0.000 0.928 127 T HN 1.047 nan 8.240 nan 0.000 0.474 128 A N 2.466 125.325 122.820 0.065 0.000 2.435 128 A HA 0.165 4.488 4.320 0.005 0.000 0.686 128 A C -0.415 177.198 177.584 0.048 0.000 0.139 128 A CA -0.928 51.139 52.037 0.050 0.000 0.027 128 A CB -0.396 18.634 19.000 0.050 0.000 3.972 128 A HN 0.545 nan 8.150 nan 0.000 0.548 129 E N -0.467 119.751 120.200 0.030 0.000 2.392 129 E HA 0.543 4.896 4.350 0.005 0.000 0.259 129 E C -0.349 176.256 176.600 0.009 0.000 1.108 129 E CA -0.001 56.410 56.400 0.017 0.000 0.916 129 E CB 1.327 31.033 29.700 0.010 0.000 0.989 129 E HN 1.037 nan 8.360 nan 0.000 0.432 130 V N 3.900 123.807 119.914 -0.012 0.000 2.444 130 V HA 0.426 4.549 4.120 0.005 0.000 0.294 130 V C 0.225 176.305 176.094 -0.024 0.000 1.022 130 V CA -0.706 61.576 62.300 -0.029 0.000 0.850 130 V CB 1.513 33.287 31.823 -0.083 0.000 0.992 130 V HN 0.463 nan 8.190 nan 0.000 0.426 131 R N 2.048 122.539 120.500 -0.014 0.000 2.474 131 R HA 0.522 4.865 4.340 0.005 0.000 0.295 131 R C 0.313 176.608 176.300 -0.009 0.000 0.980 131 R CA -0.445 55.650 56.100 -0.009 0.000 0.934 131 R CB 1.780 32.079 30.300 -0.002 0.000 1.101 131 R HN 0.749 nan 8.270 nan 0.000 0.469 132 S N 0.785 116.481 115.700 -0.006 0.000 2.563 132 S HA 0.126 4.599 4.470 0.005 0.000 0.294 132 S C 1.274 175.877 174.600 0.004 0.000 1.279 132 S CA 1.203 59.402 58.200 -0.001 0.000 1.069 132 S CB 0.206 63.407 63.200 0.000 0.000 0.828 132 S HN 0.861 nan 8.310 nan 0.000 0.497 133 G N 3.062 111.867 108.800 0.008 0.000 2.179 133 G HA2 -0.281 3.682 3.960 0.005 0.000 0.260 133 G HA3 -0.281 3.682 3.960 0.005 0.000 0.260 133 G C 0.031 174.937 174.900 0.010 0.000 0.977 133 G CA 0.489 45.595 45.100 0.012 0.000 0.641 133 G HN 1.254 nan 8.290 nan 0.000 0.533 134 Q N 0.131 119.935 119.800 0.007 0.000 2.337 134 Q HA 0.433 4.776 4.340 0.005 0.000 0.270 134 Q C 0.652 176.660 176.000 0.013 0.000 1.002 134 Q CA 0.245 56.053 55.803 0.009 0.000 0.888 134 Q CB 0.336 29.079 28.738 0.008 0.000 1.222 134 Q HN 0.282 nan 8.270 nan 0.000 0.400 135 N N 1.471 120.180 118.700 0.015 0.000 2.725 135 N HA -0.175 4.568 4.740 0.005 0.000 0.249 135 N C -1.294 174.225 175.510 0.014 0.000 1.103 135 N CA 1.115 54.175 53.050 0.016 0.000 0.707 135 N CB -1.237 37.263 38.487 0.022 0.000 1.043 135 N HN 0.677 nan 8.380 nan 0.000 0.553 136 I N 0.838 121.416 120.570 0.013 0.000 2.439 136 I HA 0.219 4.392 4.170 0.005 0.000 0.283 136 I C 0.249 176.372 176.117 0.010 0.000 1.023 136 I CA -0.554 60.756 61.300 0.016 0.000 1.100 136 I CB 1.508 39.521 38.000 0.023 0.000 1.238 136 I HN -0.218 nan 8.210 nan 0.000 0.445 137 R N 5.866 126.367 120.500 0.003 0.000 2.234 137 R HA 0.427 4.770 4.340 0.005 0.000 0.324 137 R C -0.372 175.919 176.300 -0.014 0.000 1.054 137 R CA -0.840 55.252 56.100 -0.013 0.000 0.912 137 R CB 0.913 31.196 30.300 -0.030 0.000 1.030 137 R HN 0.393 nan 8.270 nan 0.000 0.455 138 R N 2.177 122.670 120.500 -0.011 0.000 2.531 138 R HA 0.136 4.479 4.340 0.005 0.000 0.273 138 R C 0.288 176.575 176.300 -0.021 0.000 1.070 138 R CA -0.720 55.378 56.100 -0.004 0.000 1.112 138 R CB 0.540 30.842 30.300 0.004 0.000 1.049 138 R HN 0.535 nan 8.270 nan 0.000 0.508 139 R N 0.474 120.972 120.500 -0.005 0.000 2.446 139 R HA 0.055 4.398 4.340 0.005 0.000 0.314 139 R C 0.618 176.909 176.300 -0.016 0.000 1.003 139 R CA 1.472 57.564 56.100 -0.014 0.000 1.018 139 R CB -0.245 30.073 30.300 0.031 0.000 0.945 139 R HN 0.889 nan 8.270 nan 0.000 0.419 140 G N 3.450 112.229 108.800 -0.035 0.000 2.176 140 G HA2 -0.380 3.583 3.960 0.005 0.000 0.253 140 G HA3 -0.380 3.583 3.960 0.005 0.000 0.253 140 G C 0.638 175.520 174.900 -0.031 0.000 0.979 140 G CA 0.534 45.617 45.100 -0.030 0.000 0.641 140 G HN 0.839 nan 8.290 nan 0.000 0.530 141 E N -0.039 120.142 120.200 -0.031 0.000 2.204 141 E HA -0.081 4.272 4.350 0.005 0.000 0.195 141 E C 1.411 177.992 176.600 -0.033 0.000 0.990 141 E CA 1.476 57.860 56.400 -0.027 0.000 0.821 141 E CB -0.140 29.546 29.700 -0.024 0.000 0.750 141 E HN 0.400 nan 8.360 nan 0.000 0.477 142 D N 0.380 120.755 120.400 -0.041 0.000 2.259 142 D HA 0.262 4.905 4.640 0.005 0.000 0.216 142 D C 0.506 176.774 176.300 -0.053 0.000 0.961 142 D CA 0.649 54.623 54.000 -0.044 0.000 0.878 142 D CB 0.715 41.486 40.800 -0.047 0.000 1.009 142 D HN 0.168 nan 8.370 nan 0.000 0.490 143 I N -0.300 120.237 120.570 -0.055 0.000 2.692 143 I HA 0.142 4.315 4.170 0.005 0.000 0.293 143 I C -0.793 175.295 176.117 -0.049 0.000 1.200 143 I CA -0.688 60.574 61.300 -0.062 0.000 1.036 143 I CB 2.546 40.501 38.000 -0.075 0.000 1.258 143 I HN -0.256 nan 8.210 nan 0.000 0.421 144 S N 3.926 119.598 115.700 -0.047 0.000 2.508 144 S HA 0.723 5.196 4.470 0.005 0.000 0.284 144 S C 0.034 174.614 174.600 -0.032 0.000 1.192 144 S CA -0.476 57.704 58.200 -0.034 0.000 1.070 144 S CB 1.192 64.375 63.200 -0.029 0.000 1.004 144 S HN 0.658 nan 8.310 nan 0.000 0.493 145 A N 3.034 125.841 122.820 -0.022 0.000 2.520 145 A HA 0.527 4.850 4.320 0.005 0.000 0.245 145 A C 1.449 179.023 177.584 -0.016 0.000 1.072 145 A CA 0.359 52.386 52.037 -0.017 0.000 0.761 145 A CB -0.947 18.049 19.000 -0.006 0.000 1.004 145 A HN 2.084 nan 8.150 nan 0.000 0.499 146 G N 0.472 109.261 108.800 -0.017 0.000 2.176 146 G HA2 0.181 4.144 3.960 0.005 0.000 0.232 146 G HA3 0.181 4.144 3.960 0.005 0.000 0.232 146 G C 0.487 175.374 174.900 -0.023 0.000 0.986 146 G CA 0.347 45.438 45.100 -0.016 0.000 0.643 146 G HN 2.129 nan 8.290 nan 0.000 0.522 147 A N -0.037 122.762 122.820 -0.034 0.000 2.293 147 A HA 0.783 5.106 4.320 0.005 0.000 0.302 147 A C 0.476 178.024 177.584 -0.059 0.000 1.119 147 A CA 0.013 52.023 52.037 -0.045 0.000 0.823 147 A CB 1.352 20.319 19.000 -0.055 0.000 1.097 147 A HN 1.131 nan 8.150 nan 0.000 0.491 148 V N 2.989 122.868 119.914 -0.059 0.000 2.488 148 V HA 0.137 4.260 4.120 0.005 0.000 0.277 148 V C 1.100 177.114 176.094 -0.133 0.000 1.046 148 V CA -0.004 62.256 62.300 -0.067 0.000 0.986 148 V CB 0.850 32.649 31.823 -0.039 0.000 0.989 148 V HN 0.720 nan 8.190 nan 0.000 0.475 149 V N 4.149 123.944 119.914 -0.197 0.000 2.403 149 V HA 0.212 4.335 4.120 0.005 0.000 0.239 149 V C 0.192 175.901 176.094 -0.642 0.000 1.041 149 V CA 0.959 62.985 62.300 -0.457 0.000 1.051 149 V CB -0.183 31.323 31.823 -0.529 0.000 0.704 149 V HN 0.630 nan 8.190 nan 0.000 0.472 150 F N 1.932 121.875 119.950 -0.012 0.000 2.507 150 F HA 0.600 5.130 4.527 0.005 0.000 0.328 150 F C -2.537 173.254 175.800 -0.014 0.000 1.136 150 F CA -3.220 54.771 58.000 -0.015 0.000 0.930 150 F CB 1.421 40.409 39.000 -0.020 0.000 1.166 150 F HN -0.044 nan 8.300 nan 0.000 0.436 151 P HA 0.268 nan 4.420 nan 0.000 0.274 151 P C -0.619 176.725 177.300 0.074 0.000 1.231 151 P CA -0.301 62.850 63.100 0.085 0.000 0.790 151 P CB 1.131 32.866 31.700 0.058 0.000 0.951 152 A N 1.291 124.138 122.820 0.046 0.000 2.520 152 A HA 0.413 4.736 4.320 0.005 0.000 0.235 152 A C 1.456 179.051 177.584 0.018 0.000 1.065 152 A CA 0.849 52.903 52.037 0.029 0.000 0.764 152 A CB -1.451 17.562 19.000 0.022 0.000 1.002 152 A HN 0.910 nan 8.150 nan 0.000 0.502 153 G N 1.050 109.853 108.800 0.004 0.000 2.175 153 G HA2 -0.188 3.775 3.960 0.005 0.000 0.244 153 G HA3 -0.188 3.775 3.960 0.005 0.000 0.244 153 G C 0.402 175.290 174.900 -0.021 0.000 0.982 153 G CA 0.403 45.499 45.100 -0.007 0.000 0.641 153 G HN 1.200 nan 8.290 nan 0.000 0.527 154 T N 1.180 115.720 114.554 -0.023 0.000 2.851 154 T HA 0.440 4.793 4.350 0.005 0.000 0.298 154 T C 0.597 175.233 174.700 -0.107 0.000 0.977 154 T CA -0.085 61.981 62.100 -0.055 0.000 1.126 154 T CB 1.274 70.111 68.868 -0.051 0.000 0.916 154 T HN 0.505 nan 8.240 nan 0.000 0.529 155 R N 3.733 124.158 120.500 -0.125 0.000 2.267 155 R HA 0.305 4.648 4.340 0.005 0.000 0.319 155 R C -0.608 175.541 176.300 -0.252 0.000 1.067 155 R CA -0.517 55.486 56.100 -0.162 0.000 0.936 155 R CB 0.085 30.302 30.300 -0.137 0.000 1.006 155 R HN 0.571 nan 8.270 nan 0.000 0.452 156 L N 5.298 126.345 121.223 -0.292 0.000 2.313 156 L HA 0.302 4.645 4.340 0.005 0.000 0.282 156 L C 0.751 177.287 176.870 -0.558 0.000 1.092 156 L CA -0.191 54.424 54.840 -0.376 0.000 0.831 156 L CB 1.209 43.093 42.059 -0.291 0.000 1.159 156 L HN 0.853 nan 8.230 nan 0.000 0.442 157 T N -2.418 111.823 114.554 -0.522 0.000 2.645 157 T HA 0.229 4.582 4.350 0.005 0.000 0.273 157 T C 0.961 175.528 174.700 -0.222 0.000 0.960 157 T CA -0.339 61.372 62.100 -0.649 0.000 1.051 157 T CB 1.160 69.773 68.868 -0.425 0.000 1.366 157 T HN 0.371 nan 8.240 nan 0.000 0.536 158 T N 0.917 115.495 114.554 0.040 0.000 2.929 158 T HA 0.085 4.438 4.350 0.005 0.000 0.271 158 T C 2.159 176.871 174.700 0.021 0.000 1.085 158 T CA 1.208 63.367 62.100 0.097 0.000 1.125 158 T CB -0.778 68.187 68.868 0.162 0.000 0.874 158 T HN 0.753 nan 8.240 nan 0.000 0.494 159 A N 1.958 124.765 122.820 -0.022 0.000 1.968 159 A HA -0.068 4.255 4.320 0.005 0.000 0.217 159 A C 2.299 179.861 177.584 -0.036 0.000 1.169 159 A CA 1.174 53.202 52.037 -0.016 0.000 0.638 159 A CB -0.063 18.927 19.000 -0.018 0.000 0.812 159 A HN 0.567 nan 8.150 nan 0.000 0.446 160 E N -0.301 119.791 120.200 -0.181 0.000 2.399 160 E HA 0.116 4.469 4.350 0.005 0.000 0.205 160 E C 1.849 178.334 176.600 -0.191 0.000 0.906 160 E CA 0.142 56.341 56.400 -0.334 0.000 0.998 160 E CB -0.718 28.253 29.700 -1.215 0.000 1.002 160 E HN 0.511 nan 8.360 nan 0.000 0.501 161 L N 1.944 123.074 121.223 -0.155 0.000 1.989 161 L HA -0.108 4.235 4.340 0.005 0.000 0.211 161 L C -0.198 176.685 176.870 0.022 0.000 1.071 161 L CA 2.122 56.925 54.840 -0.062 0.000 0.749 161 L CB -1.736 40.295 42.059 -0.047 0.000 0.890 161 L HN 0.144 nan 8.230 nan 0.000 0.431 162 P HA -0.134 nan 4.420 nan 0.000 0.218 162 P C 1.852 179.198 177.300 0.077 0.000 1.148 162 P CA 1.310 64.442 63.100 0.053 0.000 0.822 162 P CB 0.014 31.743 31.700 0.049 0.000 0.784 163 V N 0.632 120.620 119.914 0.124 0.000 2.295 163 V HA -0.215 3.908 4.120 0.005 0.000 0.246 163 V C 2.725 178.919 176.094 0.167 0.000 1.049 163 V CA 1.543 63.945 62.300 0.170 0.000 1.024 163 V CB -1.043 30.977 31.823 0.329 0.000 0.648 163 V HN 0.008 nan 8.190 nan 0.000 0.447 164 I N 0.586 121.284 120.570 0.213 0.000 2.335 164 I HA -0.244 3.929 4.170 0.005 0.000 0.251 164 I C 2.584 178.754 176.117 0.088 0.000 1.129 164 I CA 1.462 62.862 61.300 0.166 0.000 1.402 164 I CB -0.554 37.533 38.000 0.145 0.000 1.069 164 I HN 0.307 nan 8.210 nan 0.000 0.424 165 A N 0.682 123.544 122.820 0.071 0.000 1.968 165 A HA -0.163 4.160 4.320 0.005 0.000 0.217 165 A C 2.427 180.036 177.584 0.042 0.000 1.169 165 A CA 1.652 53.718 52.037 0.049 0.000 0.638 165 A CB -0.617 18.409 19.000 0.043 0.000 0.812 165 A HN 0.516 nan 8.150 nan 0.000 0.446 166 S N -0.241 115.485 115.700 0.043 0.000 2.515 166 S HA 0.049 4.522 4.470 0.005 0.000 0.231 166 S C 1.511 176.122 174.600 0.018 0.000 0.987 166 S CA 0.959 59.175 58.200 0.025 0.000 0.936 166 S CB -0.516 62.695 63.200 0.018 0.000 0.766 166 S HN 0.471 nan 8.310 nan 0.000 0.528 167 L N 0.476 121.715 121.223 0.028 0.000 2.509 167 L HA 0.301 4.644 4.340 0.005 0.000 0.222 167 L C 2.000 178.884 176.870 0.024 0.000 1.123 167 L CA 0.508 55.360 54.840 0.020 0.000 0.856 167 L CB -0.761 41.313 42.059 0.025 0.000 0.985 167 L HN 0.600 nan 8.230 nan 0.000 0.456 168 G N 0.899 109.716 108.800 0.029 0.000 2.157 168 G HA2 -0.257 3.706 3.960 0.005 0.000 0.239 168 G HA3 -0.257 3.706 3.960 0.005 0.000 0.239 168 G C 0.203 175.121 174.900 0.029 0.000 0.982 168 G CA -0.359 44.758 45.100 0.029 0.000 0.650 168 G HN 0.260 nan 8.290 nan 0.000 0.527 169 I N 1.433 122.023 120.570 0.033 0.000 2.337 169 I HA 0.446 4.619 4.170 0.005 0.000 0.291 169 I C 1.626 177.763 176.117 0.032 0.000 1.046 169 I CA 0.146 61.465 61.300 0.033 0.000 1.324 169 I CB 1.359 39.383 38.000 0.039 0.000 1.409 169 I HN 0.156 nan 8.210 nan 0.000 0.494 170 A N 5.838 128.675 122.820 0.027 0.000 1.975 170 A HA 0.103 4.426 4.320 0.005 0.000 0.215 170 A C 0.752 178.350 177.584 0.024 0.000 1.170 170 A CA 0.880 52.932 52.037 0.025 0.000 0.656 170 A CB 0.083 19.097 19.000 0.023 0.000 0.821 170 A HN 0.738 nan 8.150 nan 0.000 0.449 171 E N -0.943 119.271 120.200 0.023 0.000 2.367 171 E HA 0.522 4.875 4.350 0.005 0.000 0.273 171 E C -1.486 175.127 176.600 0.021 0.000 0.903 171 E CA -0.803 55.609 56.400 0.020 0.000 0.764 171 E CB 2.526 32.237 29.700 0.018 0.000 1.252 171 E HN 0.235 nan 8.360 nan 0.000 0.446 172 V N -1.564 118.360 119.914 0.018 0.000 3.007 172 V HA 0.671 4.794 4.120 0.005 0.000 0.311 172 V C -2.781 173.321 176.094 0.013 0.000 1.120 172 V CA -2.608 59.703 62.300 0.018 0.000 0.980 172 V CB 1.923 33.757 31.823 0.018 0.000 1.033 172 V HN 0.525 nan 8.190 nan 0.000 0.429 173 P HA 0.485 nan 4.420 nan 0.000 0.293 173 P C -0.673 176.631 177.300 0.007 0.000 1.300 173 P CA -0.161 62.946 63.100 0.012 0.000 0.792 173 P CB 1.604 33.312 31.700 0.014 0.000 0.925 174 V N 1.859 121.776 119.914 0.005 0.000 3.040 174 V HA 0.503 4.626 4.120 0.005 0.000 0.312 174 V C 0.040 176.136 176.094 0.004 0.000 1.115 174 V CA -1.343 60.957 62.300 -0.001 0.000 0.998 174 V CB 1.908 33.726 31.823 -0.008 0.000 1.042 174 V HN 0.211 nan 8.190 nan 0.000 0.433 175 I N 2.829 123.401 120.570 0.002 0.000 2.648 175 I HA 0.251 4.424 4.170 0.005 0.000 0.284 175 I C 1.195 177.318 176.117 0.010 0.000 1.153 175 I CA 0.237 61.542 61.300 0.008 0.000 1.426 175 I CB 0.306 38.310 38.000 0.007 0.000 1.381 175 I HN 0.993 nan 8.210 nan 0.000 0.571 176 R N 5.539 126.049 120.500 0.015 0.000 2.784 176 R HA 0.138 4.481 4.340 0.005 0.000 0.266 176 R C -0.268 176.044 176.300 0.019 0.000 1.044 176 R CA -0.459 55.651 56.100 0.017 0.000 1.151 176 R CB 0.374 30.686 30.300 0.020 0.000 1.037 176 R HN 0.408 nan 8.270 nan 0.000 0.478 177 K N 1.321 121.733 120.400 0.020 0.000 2.448 177 K HA 0.054 4.377 4.320 0.005 0.000 0.278 177 K C -0.357 176.259 176.600 0.026 0.000 1.009 177 K CA -0.325 55.975 56.287 0.021 0.000 0.995 177 K CB 0.954 33.466 32.500 0.021 0.000 0.917 177 K HN 0.301 nan 8.250 nan 0.000 0.481 178 V N 4.562 124.493 119.914 0.029 0.000 2.529 178 V HA -0.017 4.106 4.120 0.005 0.000 0.292 178 V C 0.640 176.757 176.094 0.039 0.000 1.028 178 V CA 0.221 62.544 62.300 0.040 0.000 1.074 178 V CB 0.197 32.045 31.823 0.041 0.000 0.958 178 V HN 0.634 nan 8.190 nan 0.000 0.481 179 R N 3.766 124.294 120.500 0.046 0.000 2.221 179 R HA 0.581 4.924 4.340 0.005 0.000 0.327 179 R C -1.084 175.247 176.300 0.052 0.000 1.033 179 R CA -0.405 55.720 56.100 0.041 0.000 0.887 179 R CB 1.367 31.690 30.300 0.039 0.000 1.057 179 R HN 0.543 nan 8.270 nan 0.000 0.455 180 V N 2.415 122.351 119.914 0.036 0.000 2.444 180 V HA 0.512 4.635 4.120 0.005 0.000 0.294 180 V C -0.094 176.019 176.094 0.032 0.000 1.022 180 V CA -0.998 61.329 62.300 0.045 0.000 0.850 180 V CB 1.684 33.531 31.823 0.041 0.000 0.992 180 V HN 0.889 nan 8.190 nan 0.000 0.426 181 A N 5.022 127.880 122.820 0.064 0.000 2.306 181 A HA 0.941 5.264 4.320 0.005 0.000 0.314 181 A C -0.931 176.696 177.584 0.071 0.000 1.164 181 A CA -0.414 51.672 52.037 0.082 0.000 0.822 181 A CB 1.179 20.256 19.000 0.127 0.000 1.130 181 A HN 1.044 nan 8.150 nan 0.000 0.496 182 L N 2.507 123.776 121.223 0.077 0.000 2.445 182 L HA 0.950 5.293 4.340 0.005 0.000 0.262 182 L C -1.227 175.723 176.870 0.133 0.000 0.974 182 L CA -0.461 54.388 54.840 0.015 0.000 0.822 182 L CB 1.829 43.874 42.059 -0.023 0.000 1.339 182 L HN 1.022 nan 8.230 nan 0.000 0.409 183 F N 0.976 120.915 119.950 -0.017 0.000 2.770 183 F HA 0.855 5.385 4.527 0.005 0.000 0.313 183 F C -1.323 174.464 175.800 -0.021 0.000 1.154 183 F CA -0.271 57.712 58.000 -0.029 0.000 0.923 183 F CB 0.830 39.789 39.000 -0.069 0.000 1.301 183 F HN 0.614 nan 8.300 nan 0.000 0.449 184 S N -0.042 115.829 115.700 0.284 0.000 2.566 184 S HA 0.909 5.382 4.470 0.005 0.000 0.298 184 S C -1.207 173.552 174.600 0.264 0.000 1.083 184 S CA -0.662 57.641 58.200 0.172 0.000 0.978 184 S CB 1.912 65.168 63.200 0.093 0.000 1.073 184 S HN 0.860 nan 8.310 nan 0.000 0.491 185 T N 0.770 115.441 114.554 0.195 0.000 2.861 185 T HA 0.868 5.221 4.350 0.005 0.000 0.287 185 T C -0.188 174.591 174.700 0.133 0.000 1.003 185 T CA -0.360 61.850 62.100 0.184 0.000 0.977 185 T CB 1.377 70.376 68.868 0.217 0.000 0.996 185 T HN 1.541 nan 8.240 nan 0.000 0.448 186 G N 1.662 110.533 108.800 0.119 0.000 2.158 186 G HA2 0.220 4.184 3.960 0.005 0.000 0.238 186 G HA3 0.220 4.184 3.960 0.005 0.000 0.238 186 G C -0.276 174.663 174.900 0.065 0.000 1.723 186 G CA -0.770 44.388 45.100 0.096 0.000 0.911 186 G HN 0.539 nan 8.290 nan 0.000 0.741 187 D N 0.599 121.033 120.400 0.058 0.000 2.310 187 D HA -0.051 4.592 4.640 0.005 0.000 0.212 187 D C 2.268 178.575 176.300 0.010 0.000 0.965 187 D CA 1.266 55.283 54.000 0.029 0.000 0.879 187 D CB 0.409 41.222 40.800 0.022 0.000 0.921 187 D HN 0.695 nan 8.370 nan 0.000 0.510 188 E N 0.475 120.684 120.200 0.014 0.000 2.478 188 E HA -0.057 4.296 4.350 0.005 0.000 0.194 188 E C 0.407 176.990 176.600 -0.029 0.000 1.045 188 E CA -0.018 56.377 56.400 -0.009 0.000 0.868 188 E CB -0.174 29.527 29.700 0.002 0.000 0.885 188 E HN 0.250 nan 8.360 nan 0.000 0.505 189 L N 2.034 123.252 121.223 -0.008 0.000 2.305 189 L HA 0.313 4.656 4.340 0.005 0.000 0.281 189 L C 0.114 176.968 176.870 -0.027 0.000 1.085 189 L CA -0.492 54.342 54.840 -0.010 0.000 0.813 189 L CB 0.884 42.960 42.059 0.029 0.000 1.157 189 L HN -0.052 nan 8.230 nan 0.000 0.436 190 Q N 2.631 122.397 119.800 -0.058 0.000 2.377 190 Q HA 0.576 4.919 4.340 0.005 0.000 0.271 190 Q C -1.087 174.970 176.000 0.095 0.000 1.077 190 Q CA -0.499 55.276 55.803 -0.046 0.000 0.820 190 Q CB 2.030 30.634 28.738 -0.223 0.000 1.347 190 Q HN 0.495 nan 8.270 nan 0.000 0.444 191 L N 4.325 125.616 121.223 0.114 0.000 2.439 191 L HA 0.494 4.837 4.340 0.005 0.000 0.261 191 L C -1.807 175.187 176.870 0.206 0.000 1.153 191 L CA -1.943 52.976 54.840 0.132 0.000 0.808 191 L CB 0.671 42.773 42.059 0.072 0.000 1.126 191 L HN 0.636 nan 8.230 nan 0.000 0.460 192 P HA 0.002 nan 4.420 nan 0.000 0.267 192 P C 0.529 177.831 177.300 0.005 0.000 1.205 192 P CA 0.558 63.653 63.100 -0.007 0.000 0.765 192 P CB 0.920 32.586 31.700 -0.057 0.000 0.828 193 G N 1.606 110.384 108.800 -0.038 0.000 2.143 193 G HA2 -0.186 3.777 3.960 0.005 0.000 0.249 193 G HA3 -0.186 3.777 3.960 0.005 0.000 0.249 193 G C 0.025 174.967 174.900 0.070 0.000 0.981 193 G CA -0.201 44.899 45.100 -0.001 0.000 0.665 193 G HN 0.638 nan 8.290 nan 0.000 0.528 194 Q N 0.307 120.205 119.800 0.164 0.000 2.301 194 Q HA 0.504 4.847 4.340 0.005 0.000 0.267 194 Q C -2.371 173.737 176.000 0.179 0.000 1.035 194 Q CA -1.754 54.131 55.803 0.137 0.000 0.856 194 Q CB 2.541 31.344 28.738 0.108 0.000 1.337 194 Q HN 0.318 nan 8.270 nan 0.000 0.450 195 P HA 0.191 nan 4.420 nan 0.000 0.274 195 P C -0.610 176.686 177.300 -0.006 0.000 1.231 195 P CA -0.220 62.921 63.100 0.068 0.000 0.790 195 P CB 0.844 32.566 31.700 0.037 0.000 0.951 196 L N 1.666 122.859 121.223 -0.049 0.000 2.281 196 L HA 0.398 4.741 4.340 0.005 0.000 0.285 196 L C 1.457 178.280 176.870 -0.078 0.000 1.074 196 L CA -0.314 54.440 54.840 -0.143 0.000 0.817 196 L CB 0.753 42.697 42.059 -0.192 0.000 1.168 196 L HN 0.509 nan 8.230 nan 0.000 0.434 197 G N 1.333 110.086 108.800 -0.078 0.000 2.535 197 G HA2 0.056 4.019 3.960 0.005 0.000 0.282 197 G HA3 0.056 4.019 3.960 0.005 0.000 0.282 197 G C -0.605 174.268 174.900 -0.045 0.000 1.350 197 G CA -0.489 44.582 45.100 -0.047 0.000 1.039 197 G HN 0.611 nan 8.290 nan 0.000 0.509 198 D N -0.728 119.654 120.400 -0.030 0.000 2.451 198 D HA 0.341 4.984 4.640 0.005 0.000 0.254 198 D C 1.462 177.746 176.300 -0.027 0.000 1.204 198 D CA 1.642 55.628 54.000 -0.023 0.000 0.896 198 D CB -0.006 40.785 40.800 -0.015 0.000 1.136 198 D HN 1.013 nan 8.370 nan 0.000 0.499 199 G N 3.149 111.933 108.800 -0.027 0.000 2.155 199 G HA2 -0.295 3.668 3.960 0.005 0.000 0.257 199 G HA3 -0.295 3.668 3.960 0.005 0.000 0.257 199 G C 0.339 175.214 174.900 -0.041 0.000 0.983 199 G CA 0.423 45.508 45.100 -0.025 0.000 0.676 199 G HN 0.604 nan 8.290 nan 0.000 0.528 200 Q N -0.341 119.416 119.800 -0.071 0.000 2.260 200 Q HA 0.749 5.092 4.340 0.005 0.000 0.238 200 Q C 0.718 176.621 176.000 -0.160 0.000 0.948 200 Q CA 0.006 55.742 55.803 -0.113 0.000 0.895 200 Q CB 1.672 30.320 28.738 -0.150 0.000 1.218 200 Q HN 0.845 nan 8.270 nan 0.000 0.470 201 I N -2.940 117.518 120.570 -0.186 0.000 3.095 201 I HA 0.449 4.622 4.170 0.005 0.000 0.310 201 I C -1.414 174.550 176.117 -0.255 0.000 1.196 201 I CA -1.365 59.819 61.300 -0.193 0.000 0.985 201 I CB 1.475 39.445 38.000 -0.051 0.000 1.250 201 I HN 0.421 nan 8.210 nan 0.000 0.446 202 Y N 1.109 121.405 120.300 -0.007 0.000 2.304 202 Y HA 0.298 4.851 4.550 0.005 0.000 0.328 202 Y C 0.260 176.147 175.900 -0.022 0.000 1.123 202 Y CA 0.169 58.261 58.100 -0.015 0.000 1.218 202 Y CB 0.404 38.850 38.460 -0.023 0.000 1.207 202 Y HN 0.516 nan 8.280 nan 0.000 0.495 203 D N 1.233 121.716 120.400 0.138 0.000 2.401 203 D HA 0.034 4.677 4.640 0.005 0.000 0.254 203 D C 0.779 177.098 176.300 0.032 0.000 1.192 203 D CA 0.483 54.523 54.000 0.066 0.000 0.885 203 D CB 0.877 41.713 40.800 0.060 0.000 1.147 203 D HN 0.742 nan 8.370 nan 0.000 0.478 204 T N -0.233 114.312 114.554 -0.015 0.000 2.989 204 T HA 0.072 4.425 4.350 0.005 0.000 0.250 204 T C 1.432 176.065 174.700 -0.112 0.000 0.981 204 T CA -0.071 61.978 62.100 -0.086 0.000 0.980 204 T CB -0.402 68.376 68.868 -0.151 0.000 1.133 204 T HN 0.334 nan 8.240 nan 0.000 0.489 205 N N 1.504 120.160 118.700 -0.073 0.000 2.069 205 N HA -0.094 4.649 4.740 0.005 0.000 0.191 205 N C 2.173 177.644 175.510 -0.065 0.000 1.031 205 N CA 1.132 54.144 53.050 -0.064 0.000 0.852 205 N CB -0.157 38.320 38.487 -0.017 0.000 1.018 205 N HN 0.302 nan 8.380 nan 0.000 0.423 206 R N 1.011 121.491 120.500 -0.034 0.000 2.103 206 R HA -0.164 4.179 4.340 0.005 0.000 0.242 206 R C 2.262 178.557 176.300 -0.010 0.000 1.142 206 R CA 1.219 57.310 56.100 -0.014 0.000 0.960 206 R CB -0.326 29.988 30.300 0.024 0.000 0.858 206 R HN 0.185 nan 8.270 nan 0.000 0.439 207 L N 0.428 121.628 121.223 -0.038 0.000 2.056 207 L HA -0.021 4.322 4.340 0.005 0.000 0.207 207 L C 2.208 179.036 176.870 -0.070 0.000 1.078 207 L CA 2.123 56.929 54.840 -0.057 0.000 0.749 207 L CB -0.717 41.287 42.059 -0.092 0.000 0.901 207 L HN 0.238 nan 8.230 nan 0.000 0.433 208 A N -0.942 121.812 122.820 -0.109 0.000 1.877 208 A HA -0.150 4.173 4.320 0.005 0.000 0.216 208 A C 2.239 179.698 177.584 -0.208 0.000 1.186 208 A CA 2.142 54.097 52.037 -0.137 0.000 0.620 208 A CB -1.135 17.785 19.000 -0.132 0.000 0.822 208 A HN 0.313 nan 8.150 nan 0.000 0.443 209 V N -0.404 119.366 119.914 -0.241 0.000 2.427 209 V HA -0.226 3.897 4.120 0.005 0.000 0.248 209 V C 2.511 178.435 176.094 -0.283 0.000 1.051 209 V CA 2.012 64.049 62.300 -0.439 0.000 1.048 209 V CB -1.016 30.590 31.823 -0.361 0.000 0.666 209 V HN 0.746 nan 8.190 nan 0.000 0.456 210 H N 0.472 119.422 119.070 -0.199 0.000 2.319 210 H HA -0.038 4.521 4.556 0.005 0.000 0.299 210 H C 1.322 176.576 175.328 -0.123 0.000 1.092 210 H CA 1.160 57.133 56.048 -0.125 0.000 1.302 210 H CB -0.257 29.457 29.762 -0.081 0.000 1.373 210 H HN 0.271 nan 8.280 nan 0.000 0.497 214 E N 0.723 120.917 120.200 -0.011 0.000 2.077 214 E HA -0.220 4.133 4.350 0.005 0.000 0.193 214 E C 1.663 178.278 176.600 0.025 0.000 0.989 214 E CA 1.410 57.822 56.400 0.019 0.000 0.800 214 E CB 0.275 30.017 29.700 0.070 0.000 0.746 214 E HN 0.316 nan 8.360 nan 0.000 0.452 215 Q N -0.144 119.667 119.800 0.017 0.000 2.364 215 Q HA -0.068 4.275 4.340 0.005 0.000 0.207 215 Q C 1.911 177.934 176.000 0.037 0.000 0.970 215 Q CA 0.688 56.502 55.803 0.019 0.000 0.888 215 Q CB 0.119 28.853 28.738 -0.006 0.000 0.951 215 Q HN 0.413 nan 8.270 nan 0.000 0.469 216 L N -0.888 120.359 121.223 0.041 0.000 2.591 216 L HA 0.133 4.476 4.340 0.005 0.000 0.228 216 L C 1.041 177.935 176.870 0.040 0.000 1.133 216 L CA 0.453 55.320 54.840 0.045 0.000 0.880 216 L CB -0.061 42.035 42.059 0.062 0.000 1.033 216 L HN 0.314 nan 8.230 nan 0.000 0.450 217 G N -0.807 108.018 108.800 0.042 0.000 2.157 217 G HA2 -0.253 3.710 3.960 0.005 0.000 0.248 217 G HA3 -0.253 3.710 3.960 0.005 0.000 0.248 217 G C 0.323 175.240 174.900 0.028 0.000 0.979 217 G CA 0.005 45.129 45.100 0.039 0.000 0.650 217 G HN 0.336 nan 8.290 nan 0.000 0.529 218 C N 0.039 119.354 119.300 0.024 0.000 2.480 218 C HA 0.669 5.132 4.460 0.005 0.000 0.358 218 C C 0.770 175.762 174.990 0.003 0.000 1.309 218 C CA -0.322 58.707 59.018 0.018 0.000 2.465 218 C CB 1.440 29.194 27.740 0.023 0.000 2.379 218 C HN 0.587 nan 8.230 nan 0.000 0.642 219 E N 0.606 120.807 120.200 0.002 0.000 2.081 219 E HA 0.483 4.836 4.350 0.005 0.000 0.276 219 E C -1.076 175.506 176.600 -0.029 0.000 0.950 219 E CA -0.126 56.272 56.400 -0.004 0.000 0.776 219 E CB 0.671 30.377 29.700 0.011 0.000 1.094 219 E HN 0.421 nan 8.360 nan 0.000 0.402 220 V N 5.900 125.769 119.914 -0.075 0.000 2.439 220 V HA 0.376 4.499 4.120 0.005 0.000 0.282 220 V C -0.067 175.983 176.094 -0.074 0.000 1.039 220 V CA -0.660 61.552 62.300 -0.147 0.000 0.913 220 V CB 1.104 32.655 31.823 -0.454 0.000 0.983 220 V HN 0.590 nan 8.190 nan 0.000 0.460 221 I N 4.299 124.846 120.570 -0.038 0.000 2.428 221 I HA 0.306 4.479 4.170 0.005 0.000 0.279 221 I C 0.163 176.303 176.117 0.038 0.000 1.040 221 I CA 0.142 61.452 61.300 0.017 0.000 1.171 221 I CB 0.808 38.828 38.000 0.033 0.000 1.312 221 I HN 0.589 nan 8.210 nan 0.000 0.470 222 N N 5.696 124.436 118.700 0.068 0.000 2.406 222 N HA 0.302 5.045 4.740 0.005 0.000 0.251 222 N C 0.517 176.089 175.510 0.102 0.000 1.069 222 N CA -0.326 52.793 53.050 0.116 0.000 0.947 222 N CB 0.753 39.377 38.487 0.229 0.000 1.111 222 N HN 0.570 nan 8.380 nan 0.000 0.497 223 L N 3.118 124.409 121.223 0.114 0.000 2.611 223 L HA 0.340 4.683 4.340 0.005 0.000 0.229 223 L C 1.382 178.281 176.870 0.048 0.000 1.137 223 L CA -0.104 54.773 54.840 0.062 0.000 0.901 223 L CB -1.161 40.909 42.059 0.018 0.000 1.098 223 L HN 0.832 nan 8.230 nan 0.000 0.456 224 G N 1.307 110.160 108.800 0.088 0.000 2.553 224 G HA2 -0.261 3.702 3.960 0.005 0.000 0.242 224 G HA3 -0.261 3.702 3.960 0.005 0.000 0.242 224 G C -0.389 174.565 174.900 0.090 0.000 1.277 224 G CA -0.506 44.636 45.100 0.070 0.000 0.910 224 G HN 0.094 nan 8.290 nan 0.000 0.576 225 I N 1.169 121.773 120.570 0.058 0.000 2.377 225 I HA 0.432 4.605 4.170 0.005 0.000 0.293 225 I C 0.020 176.154 176.117 0.029 0.000 0.987 225 I CA -0.855 60.485 61.300 0.067 0.000 1.185 225 I CB 1.483 39.517 38.000 0.057 0.000 1.341 225 I HN 0.279 nan 8.210 nan 0.000 0.455 226 I N 6.105 126.698 120.570 0.038 0.000 2.354 226 I HA 0.340 4.513 4.170 0.005 0.000 0.292 226 I C 0.415 176.559 176.117 0.045 0.000 0.989 226 I CA -0.585 60.709 61.300 -0.009 0.000 1.188 226 I CB 1.351 39.290 38.000 -0.103 0.000 1.342 226 I HN 0.704 nan 8.210 nan 0.000 0.457 227 R N 4.245 124.765 120.500 0.033 0.000 2.707 227 R HA 0.219 4.562 4.340 0.005 0.000 0.270 227 R C -0.537 175.812 176.300 0.080 0.000 1.083 227 R CA -0.584 55.545 56.100 0.048 0.000 1.182 227 R CB 0.705 31.018 30.300 0.023 0.000 1.084 227 R HN 0.395 nan 8.270 nan 0.000 0.528 228 D N 1.311 121.763 120.400 0.088 0.000 2.662 228 D HA -0.014 4.629 4.640 0.005 0.000 0.228 228 D C -0.877 175.396 176.300 -0.046 0.000 1.090 228 D CA 0.975 55.045 54.000 0.118 0.000 1.118 228 D CB -0.225 40.627 40.800 0.087 0.000 1.129 228 D HN 0.431 nan 8.370 nan 0.000 0.472 229 D N 1.367 121.780 120.400 0.022 0.000 2.549 229 D HA 0.111 4.754 4.640 0.005 0.000 0.251 229 D C -1.769 174.559 176.300 0.047 0.000 1.153 229 D CA -1.985 51.998 54.000 -0.030 0.000 0.861 229 D CB 2.789 43.599 40.800 0.017 0.000 1.207 229 D HN -0.099 nan 8.370 nan 0.000 0.543 230 P HA -0.208 nan 4.420 nan 0.000 0.217 230 P C 1.164 178.447 177.300 -0.029 0.000 1.148 230 P CA 1.172 64.296 63.100 0.039 0.000 0.834 230 P CB 0.274 31.922 31.700 -0.086 0.000 0.783 231 H N -0.263 118.833 119.070 0.043 0.000 2.333 231 H HA 0.075 4.634 4.556 0.005 0.000 0.302 231 H C 2.150 177.491 175.328 0.021 0.000 1.075 231 H CA 1.583 57.647 56.048 0.026 0.000 1.348 231 H CB -0.730 29.034 29.762 0.004 0.000 1.393 231 H HN 0.097 nan 8.280 nan 0.000 0.509 232 A N 1.393 124.294 122.820 0.135 0.000 1.902 232 A HA -0.109 4.214 4.320 0.005 0.000 0.217 232 A C 2.652 180.239 177.584 0.005 0.000 1.181 232 A CA 0.973 53.038 52.037 0.047 0.000 0.623 232 A CB -0.902 18.112 19.000 0.022 0.000 0.818 232 A HN 0.318 nan 8.150 nan 0.000 0.443 233 L N -0.960 120.300 121.223 0.061 0.000 2.017 233 L HA -0.197 4.146 4.340 0.005 0.000 0.208 233 L C 2.835 179.791 176.870 0.144 0.000 1.073 233 L CA 2.005 56.890 54.840 0.075 0.000 0.745 233 L CB -0.388 41.803 42.059 0.221 0.000 0.894 233 L HN 0.512 nan 8.230 nan 0.000 0.432 234 R N -0.326 120.269 120.500 0.158 0.000 2.081 234 R HA -0.191 4.152 4.340 0.005 0.000 0.235 234 R C 2.212 178.585 176.300 0.121 0.000 1.131 234 R CA 1.517 57.716 56.100 0.164 0.000 0.960 234 R CB -0.254 30.098 30.300 0.086 0.000 0.856 234 R HN 0.451 nan 8.270 nan 0.000 0.436 235 A N 0.606 123.461 122.820 0.059 0.000 1.933 235 A HA -0.113 4.210 4.320 0.005 0.000 0.218 235 A C 2.324 179.879 177.584 -0.048 0.000 1.175 235 A CA 1.675 53.720 52.037 0.013 0.000 0.628 235 A CB -0.698 18.303 19.000 0.001 0.000 0.814 235 A HN 0.547 nan 8.150 nan 0.000 0.444 236 A N -1.070 121.656 122.820 -0.157 0.000 1.877 236 A HA 0.004 4.327 4.320 0.005 0.000 0.216 236 A C 1.947 179.372 177.584 -0.265 0.000 1.186 236 A CA 1.539 53.340 52.037 -0.393 0.000 0.620 236 A CB -0.750 17.718 19.000 -0.887 0.000 0.822 236 A HN 0.437 nan 8.150 nan 0.000 0.443 237 F N 0.028 119.931 119.950 -0.079 0.000 2.095 237 F HA -0.143 4.387 4.527 0.005 0.000 0.298 237 F C 2.200 178.010 175.800 0.015 0.000 1.104 237 F CA 1.543 59.574 58.000 0.052 0.000 1.232 237 F CB -0.449 38.559 39.000 0.013 0.000 0.987 237 F HN 0.115 nan 8.300 nan 0.000 0.475 238 I N -0.418 120.258 120.570 0.177 0.000 2.226 238 I HA -0.274 3.899 4.170 0.005 0.000 0.245 238 I C 2.422 178.573 176.117 0.056 0.000 1.100 238 I CA 1.551 62.904 61.300 0.087 0.000 1.374 238 I CB -0.342 37.688 38.000 0.050 0.000 1.057 238 I HN 0.090 nan 8.210 nan 0.000 0.413 239 E N 1.316 121.534 120.200 0.029 0.000 2.072 239 E HA -0.174 4.179 4.350 0.005 0.000 0.191 239 E C 2.110 178.732 176.600 0.037 0.000 0.985 239 E CA 1.616 58.024 56.400 0.012 0.000 0.801 239 E CB -0.167 29.519 29.700 -0.024 0.000 0.750 239 E HN 0.398 nan 8.360 nan 0.000 0.452 240 A N 0.663 123.521 122.820 0.063 0.000 1.877 240 A HA -0.227 4.096 4.320 0.005 0.000 0.216 240 A C 2.149 179.803 177.584 0.117 0.000 1.186 240 A CA 2.068 54.175 52.037 0.117 0.000 0.620 240 A CB -1.096 18.035 19.000 0.219 0.000 0.822 240 A HN 0.458 nan 8.150 nan 0.000 0.443 241 D N -0.074 120.403 120.400 0.129 0.000 2.149 241 D HA -0.173 4.470 4.640 0.005 0.000 0.198 241 D C 2.168 178.496 176.300 0.046 0.000 0.990 241 D CA 2.046 56.099 54.000 0.089 0.000 0.839 241 D CB -0.060 40.783 40.800 0.073 0.000 0.948 241 D HN 0.488 nan 8.370 nan 0.000 0.460 242 S N -0.375 115.349 115.700 0.040 0.000 2.382 242 S HA -0.262 4.211 4.470 0.005 0.000 0.228 242 S C 1.565 176.179 174.600 0.023 0.000 1.027 242 S CA 1.214 59.427 58.200 0.022 0.000 0.991 242 S CB -0.617 62.593 63.200 0.017 0.000 0.823 242 S HN 0.624 nan 8.310 nan 0.000 0.469 243 Q N 0.534 120.354 119.800 0.033 0.000 2.206 243 Q HA 0.782 5.125 4.340 0.005 0.000 0.265 243 Q C -0.061 175.962 176.000 0.039 0.000 0.866 243 Q CA -0.267 55.554 55.803 0.031 0.000 1.073 243 Q CB 0.545 29.299 28.738 0.028 0.000 1.165 243 Q HN 0.555 nan 8.270 nan 0.000 0.465 244 A N 0.082 122.930 122.820 0.046 0.000 2.599 244 A HA 0.406 4.729 4.320 0.005 0.000 0.290 244 A C -0.832 176.789 177.584 0.062 0.000 1.101 244 A CA -0.632 51.439 52.037 0.057 0.000 0.674 244 A CB 1.068 20.110 19.000 0.071 0.000 1.277 244 A HN 0.125 nan 8.150 nan 0.000 0.419 245 D N -0.660 119.787 120.400 0.079 0.000 2.301 245 D HA 0.211 4.854 4.640 0.005 0.000 0.206 245 D C 0.111 176.509 176.300 0.163 0.000 0.979 245 D CA 1.339 55.404 54.000 0.108 0.000 0.874 245 D CB 0.671 41.542 40.800 0.119 0.000 0.968 245 D HN 0.226 nan 8.370 nan 0.000 0.510 246 V N 1.017 121.020 119.914 0.149 0.000 2.888 246 V HA 0.340 4.463 4.120 0.005 0.000 0.309 246 V C -0.434 175.748 176.094 0.147 0.000 1.114 246 V CA -0.871 61.535 62.300 0.178 0.000 0.940 246 V CB 3.117 35.038 31.823 0.163 0.000 1.021 246 V HN -0.282 nan 8.190 nan 0.000 0.426 247 V N 5.280 125.301 119.914 0.177 0.000 2.487 247 V HA 0.588 4.711 4.120 0.005 0.000 0.298 247 V C -0.559 175.593 176.094 0.097 0.000 1.028 247 V CA -0.344 62.073 62.300 0.194 0.000 0.860 247 V CB 1.814 33.844 31.823 0.345 0.000 0.991 247 V HN 0.699 nan 8.190 nan 0.000 0.427 248 I N 3.273 123.828 120.570 -0.025 0.000 2.465 248 I HA 0.429 4.602 4.170 0.005 0.000 0.291 248 I C 0.006 175.947 176.117 -0.293 0.000 1.014 248 I CA -0.403 60.797 61.300 -0.166 0.000 1.093 248 I CB 2.212 40.179 38.000 -0.054 0.000 1.267 248 I HN 0.577 nan 8.210 nan 0.000 0.431 249 S N 3.213 118.726 115.700 -0.312 0.000 2.422 249 S HA 0.193 4.666 4.470 0.005 0.000 0.298 249 S C 0.926 175.422 174.600 -0.173 0.000 1.118 249 S CA -0.570 57.426 58.200 -0.341 0.000 1.083 249 S CB 0.778 63.924 63.200 -0.090 0.000 0.971 249 S HN 0.722 nan 8.310 nan 0.000 0.478 250 S N 3.262 118.873 115.700 -0.148 0.000 2.671 250 S HA 0.497 4.970 4.470 0.005 0.000 0.220 250 S C 0.837 175.435 174.600 -0.003 0.000 0.951 250 S CA -0.014 58.156 58.200 -0.050 0.000 0.932 250 S CB -0.610 62.562 63.200 -0.047 0.000 0.777 250 S HN 1.535 nan 8.310 nan 0.000 0.508 251 G N -1.493 107.307 108.800 0.001 0.000 2.351 251 G HA2 0.503 4.466 3.960 0.005 0.000 0.472 251 G HA3 0.503 4.466 3.960 0.005 0.000 0.472 251 G C 0.237 175.174 174.900 0.062 0.000 1.570 251 G CA -0.264 44.863 45.100 0.045 0.000 0.921 251 G HN 1.326 nan 8.290 nan 0.000 0.674 252 G N -1.345 107.504 108.800 0.081 0.000 2.278 252 G HA2 0.058 4.021 3.960 0.005 0.000 0.210 252 G HA3 0.058 4.021 3.960 0.005 0.000 0.210 252 G C 0.395 175.353 174.900 0.097 0.000 1.000 252 G CA 0.643 45.801 45.100 0.096 0.000 0.635 252 G HN 1.834 nan 8.290 nan 0.000 0.495 253 V N 1.957 121.940 119.914 0.115 0.000 2.472 253 V HA 0.692 4.815 4.120 0.005 0.000 0.290 253 V C 1.211 177.385 176.094 0.135 0.000 1.037 253 V CA 0.139 62.521 62.300 0.137 0.000 0.908 253 V CB 1.603 33.585 31.823 0.265 0.000 0.985 253 V HN 0.728 nan 8.190 nan 0.000 0.454 254 S N 3.282 119.034 115.700 0.087 0.000 2.593 254 S HA 0.049 4.522 4.470 0.005 0.000 0.300 254 S C 0.424 175.168 174.600 0.239 0.000 1.267 254 S CA 0.129 58.383 58.200 0.090 0.000 1.065 254 S CB 0.501 63.686 63.200 -0.024 0.000 0.807 254 S HN 1.192 nan 8.310 nan 0.000 0.499 255 V N 2.590 122.630 119.914 0.209 0.000 2.854 255 V HA 0.749 4.872 4.120 0.005 0.000 0.366 255 V C 1.073 177.346 176.094 0.298 0.000 1.322 255 V CA 0.239 62.738 62.300 0.332 0.000 1.243 255 V CB -0.516 31.434 31.823 0.212 0.000 1.337 255 V HN 1.179 nan 8.190 nan 0.000 0.585 256 G N 0.379 109.176 108.800 -0.005 0.000 3.898 256 G HA2 -0.124 3.839 3.960 0.005 0.000 0.196 256 G HA3 -0.124 3.839 3.960 0.005 0.000 0.196 256 G C 0.006 174.751 174.900 -0.258 0.000 1.322 256 G CA -0.146 44.816 45.100 -0.229 0.000 0.942 256 G HN 0.548 nan 8.290 nan 0.000 0.400 257 E N 1.124 121.255 120.200 -0.116 0.000 2.467 257 E HA 0.411 4.764 4.350 0.005 0.000 0.264 257 E C 0.492 177.009 176.600 -0.138 0.000 1.020 257 E CA 0.401 56.748 56.400 -0.090 0.000 0.945 257 E CB 0.860 30.541 29.700 -0.031 0.000 0.942 257 E HN 0.698 nan 8.360 nan 0.000 0.449 258 A N 3.979 126.736 122.820 -0.104 0.000 2.798 258 A HA 0.191 4.514 4.320 0.005 0.000 0.316 258 A C -0.736 176.817 177.584 -0.052 0.000 1.506 258 A CA -0.609 51.366 52.037 -0.103 0.000 1.162 258 A CB -0.454 18.498 19.000 -0.081 0.000 1.138 258 A HN 0.550 nan 8.150 nan 0.000 0.532 259 D N -0.117 120.249 120.400 -0.056 0.000 2.654 259 D HA 0.232 4.875 4.640 0.005 0.000 0.255 259 D C 0.773 177.068 176.300 -0.010 0.000 1.101 259 D CA -0.542 53.462 54.000 0.006 0.000 1.116 259 D CB -0.034 40.782 40.800 0.027 0.000 1.348 259 D HN 0.328 nan 8.370 nan 0.000 0.609 260 Y N -1.145 119.150 120.300 -0.008 0.000 2.315 260 Y HA -0.126 4.427 4.550 0.004 0.000 0.288 260 Y C 2.009 177.911 175.900 0.003 0.000 1.154 260 Y CA 2.032 60.126 58.100 -0.010 0.000 1.229 260 Y CB -1.332 37.124 38.460 -0.007 0.000 0.980 260 Y HN 0.405 nan 8.280 nan 0.000 0.540 261 T N -1.632 112.381 114.554 -0.902 0.000 2.857 261 T HA -0.168 4.185 4.350 0.005 0.000 0.266 261 T C 1.831 176.382 174.700 -0.249 0.000 1.048 261 T CA 1.367 63.082 62.100 -0.642 0.000 1.139 261 T CB -0.448 68.119 68.868 -0.501 0.000 0.874 261 T HN 0.483 nan 8.240 nan 0.000 0.455 262 K N 0.853 121.139 120.400 -0.190 0.000 2.147 262 K HA -0.114 4.209 4.320 0.005 0.000 0.205 262 K C 2.225 178.762 176.600 -0.105 0.000 1.049 262 K CA 1.614 57.827 56.287 -0.124 0.000 0.936 262 K CB -0.448 31.932 32.500 -0.200 0.000 0.722 262 K HN 0.396 nan 8.250 nan 0.000 0.446 263 T N 1.317 115.809 114.554 -0.104 0.000 2.737 263 T HA -0.082 4.271 4.350 0.005 0.000 0.265 263 T C 1.803 176.445 174.700 -0.096 0.000 1.038 263 T CA 1.513 63.568 62.100 -0.075 0.000 1.144 263 T CB -0.141 68.707 68.868 -0.034 0.000 0.866 263 T HN 0.185 nan 8.240 nan 0.000 0.434 264 I N 0.745 121.250 120.570 -0.107 0.000 2.226 264 I HA -0.122 4.051 4.170 0.005 0.000 0.245 264 I C 2.439 178.389 176.117 -0.279 0.000 1.100 264 I CA 1.016 62.235 61.300 -0.135 0.000 1.374 264 I CB -0.446 37.517 38.000 -0.063 0.000 1.057 264 I HN 0.176 nan 8.210 nan 0.000 0.413 265 L N 0.647 121.673 121.223 -0.328 0.000 1.989 265 L HA -0.270 4.073 4.340 0.005 0.000 0.211 265 L C 2.567 179.219 176.870 -0.363 0.000 1.071 265 L CA 1.891 56.427 54.840 -0.507 0.000 0.749 265 L CB -0.356 41.509 42.059 -0.324 0.000 0.890 265 L HN 0.308 nan 8.230 nan 0.000 0.431 266 E N -0.610 119.482 120.200 -0.179 0.000 2.204 266 E HA -0.222 4.131 4.350 0.005 0.000 0.194 266 E C 1.939 178.455 176.600 -0.139 0.000 0.989 266 E CA 0.930 57.258 56.400 -0.120 0.000 0.824 266 E CB 0.099 29.777 29.700 -0.036 0.000 0.756 266 E HN 0.566 nan 8.360 nan 0.000 0.477 267 E N 0.218 120.328 120.200 -0.150 0.000 2.152 267 E HA -0.103 4.250 4.350 0.005 0.000 0.192 267 E C 1.867 178.375 176.600 -0.154 0.000 0.983 267 E CA 0.585 56.909 56.400 -0.126 0.000 0.818 267 E CB 0.124 29.762 29.700 -0.103 0.000 0.758 267 E HN 0.275 nan 8.360 nan 0.000 0.467 268 L N -0.277 120.808 121.223 -0.230 0.000 2.446 268 L HA 0.169 4.512 4.340 0.005 0.000 0.219 268 L C 1.121 177.840 176.870 -0.251 0.000 1.116 268 L CA 0.144 54.834 54.840 -0.249 0.000 0.844 268 L CB 0.377 42.221 42.059 -0.357 0.000 0.970 268 L HN 0.041 nan 8.230 nan 0.000 0.457 269 G N -0.905 107.739 108.800 -0.260 0.000 2.619 269 G HA2 0.333 4.296 3.960 0.005 0.000 0.305 269 G HA3 0.333 4.296 3.960 0.005 0.000 0.305 269 G C -1.698 173.085 174.900 -0.197 0.000 1.330 269 G CA -0.388 44.570 45.100 -0.236 0.000 0.789 269 G HN -0.181 nan 8.290 nan 0.000 0.487 270 E N 0.574 120.665 120.200 -0.182 0.000 2.070 270 E HA 0.496 4.849 4.350 0.005 0.000 0.261 270 E C -0.273 176.217 176.600 -0.183 0.000 0.926 270 E CA -0.533 55.783 56.400 -0.140 0.000 0.760 270 E CB 0.221 29.863 29.700 -0.097 0.000 1.133 270 E HN 0.296 nan 8.360 nan 0.000 0.420 271 I N 2.322 122.759 120.570 -0.221 0.000 2.525 271 I HA 0.653 4.826 4.170 0.005 0.000 0.301 271 I C 0.049 175.904 176.117 -0.437 0.000 0.992 271 I CA -1.216 59.857 61.300 -0.379 0.000 1.162 271 I CB 1.261 38.947 38.000 -0.524 0.000 1.332 271 I HN 0.522 nan 8.210 nan 0.000 0.458 272 A N 5.466 127.911 122.820 -0.626 0.000 2.342 272 A HA 0.810 5.133 4.320 0.005 0.000 0.323 272 A C -1.356 175.646 177.584 -0.971 0.000 1.125 272 A CA -0.382 51.275 52.037 -0.633 0.000 0.785 272 A CB 0.651 19.268 19.000 -0.638 0.000 1.221 272 A HN 0.438 nan 8.150 nan 0.000 0.463 273 F N 2.524 122.281 119.950 -0.321 0.000 2.375 273 F HA 0.462 4.993 4.527 0.006 0.000 0.361 273 F C -0.337 175.468 175.800 0.009 0.000 1.117 273 F CA -0.404 57.494 58.000 -0.170 0.000 1.037 273 F CB 1.095 40.066 39.000 -0.049 0.000 1.192 273 F HN 0.523 nan 8.300 nan 0.000 0.452 274 W N 2.301 123.742 121.300 0.234 0.000 2.509 274 W HA 0.518 5.180 4.660 0.004 0.000 0.351 274 W C -0.337 176.296 176.519 0.191 0.000 1.107 274 W CA -1.406 56.061 57.345 0.203 0.000 1.264 274 W CB 1.248 30.828 29.460 0.201 0.000 1.312 274 W HN 0.225 nan 8.180 nan 0.000 0.608 275 K N 2.958 123.592 120.400 0.390 0.000 2.530 275 K HA 0.386 4.709 4.320 0.005 0.000 0.230 275 K C -0.411 176.281 176.600 0.153 0.000 1.002 275 K CA -0.475 55.953 56.287 0.234 0.000 1.014 275 K CB 0.768 33.373 32.500 0.175 0.000 1.286 275 K HN 0.197 nan 8.250 nan 0.000 0.480 276 L N 1.269 122.578 121.223 0.143 0.000 2.418 276 L HA 0.315 4.658 4.340 0.005 0.000 0.265 276 L C 0.865 177.762 176.870 0.045 0.000 1.143 276 L CA -0.520 54.353 54.840 0.056 0.000 0.809 276 L CB 0.965 43.045 42.059 0.036 0.000 1.124 276 L HN 0.566 nan 8.230 nan 0.000 0.456 277 A N 4.800 127.630 122.820 0.017 0.000 3.118 277 A HA 0.485 4.808 4.320 0.005 0.000 0.256 277 A C -0.020 177.593 177.584 0.049 0.000 1.667 277 A CA -0.258 51.796 52.037 0.028 0.000 1.338 277 A CB -0.997 18.008 19.000 0.009 0.000 1.127 277 A HN 0.627 nan 8.150 nan 0.000 0.634 278 I N -3.356 117.252 120.570 0.063 0.000 3.145 278 I HA 0.827 5.000 4.170 0.005 0.000 0.313 278 I C -0.787 175.391 176.117 0.102 0.000 1.122 278 I CA -1.390 59.971 61.300 0.101 0.000 0.987 278 I CB 2.409 40.444 38.000 0.058 0.000 1.236 278 I HN 0.062 nan 8.210 nan 0.000 0.453 279 K N 3.127 123.612 120.400 0.142 0.000 2.550 279 K HA 0.546 4.869 4.320 0.005 0.000 0.252 279 K C -2.988 173.704 176.600 0.154 0.000 0.943 279 K CA -1.429 54.932 56.287 0.123 0.000 0.806 279 K CB 2.680 35.240 32.500 0.100 0.000 1.289 279 K HN 0.464 nan 8.250 nan 0.000 0.435 280 P HA 0.360 nan 4.420 nan 0.000 0.276 280 P C 0.068 177.427 177.300 0.098 0.000 1.261 280 P CA 0.453 63.621 63.100 0.113 0.000 0.800 280 P CB 0.990 32.770 31.700 0.133 0.000 1.066 281 G N -0.147 108.716 108.800 0.106 0.000 2.582 281 G HA2 -0.081 3.882 3.960 0.005 0.000 0.222 281 G HA3 -0.081 3.882 3.960 0.005 0.000 0.222 281 G C -0.168 174.794 174.900 0.104 0.000 1.311 281 G CA 0.412 45.577 45.100 0.108 0.000 0.915 281 G HN 0.818 nan 8.290 nan 0.000 0.528 282 K N -1.793 118.680 120.400 0.122 0.000 2.400 282 K HA 0.038 4.361 4.320 0.005 0.000 0.186 282 K C -2.418 174.295 176.600 0.188 0.000 2.562 282 K CA 0.625 56.990 56.287 0.130 0.000 1.343 282 K CB -0.359 32.211 32.500 0.117 0.000 2.827 282 K HN 0.606 nan 8.250 nan 0.000 0.414 283 P HA 0.279 nan 4.420 nan 0.000 0.277 283 P C -1.028 176.497 177.300 0.376 0.000 1.240 283 P CA 0.115 63.376 63.100 0.270 0.000 0.798 283 P CB 0.586 32.415 31.700 0.215 0.000 0.979 284 F N 0.571 120.645 119.950 0.206 0.000 2.654 284 F HA 0.542 5.072 4.527 0.004 0.000 0.314 284 F C -1.830 174.034 175.800 0.105 0.000 1.116 284 F CA -0.572 57.528 58.000 0.167 0.000 1.017 284 F CB 1.295 40.417 39.000 0.204 0.000 1.285 284 F HN 0.491 nan 8.300 nan 0.000 0.448 285 A N 5.175 127.551 122.820 -0.739 0.000 2.337 285 A HA 0.868 5.191 4.320 0.005 0.000 0.329 285 A C -2.122 174.890 177.584 -0.954 0.000 1.146 285 A CA -0.546 51.051 52.037 -0.733 0.000 0.800 285 A CB 1.059 19.813 19.000 -0.410 0.000 1.220 285 A HN 0.921 nan 8.150 nan 0.000 0.472 286 F N 1.157 120.582 119.950 -0.875 0.000 2.628 286 F HA 0.686 5.216 4.527 0.005 0.000 0.309 286 F C 0.061 175.648 175.800 -0.355 0.000 1.108 286 F CA 0.598 58.260 58.000 -0.563 0.000 0.971 286 F CB 1.805 40.552 39.000 -0.423 0.000 1.279 286 F HN 1.157 nan 8.300 nan 0.000 0.441 287 G N 3.498 111.757 108.800 -0.902 0.000 2.428 287 G HA2 0.421 4.384 3.960 0.005 0.000 0.304 287 G HA3 0.421 4.384 3.960 0.005 0.000 0.304 287 G C -2.365 172.345 174.900 -0.316 0.000 1.303 287 G CA -1.076 43.714 45.100 -0.516 0.000 0.825 287 G HN 0.635 nan 8.290 nan 0.000 0.484 288 K N 0.338 120.608 120.400 -0.217 0.000 2.307 288 K HA 0.725 5.048 4.320 0.005 0.000 0.263 288 K C -0.114 176.313 176.600 -0.290 0.000 0.973 288 K CA -0.583 55.509 56.287 -0.325 0.000 0.846 288 K CB 0.926 33.190 32.500 -0.394 0.000 1.100 288 K HN 0.416 nan 8.250 nan 0.000 0.438 289 L N 1.841 122.897 121.223 -0.279 0.000 2.569 289 L HA 0.318 4.661 4.340 0.005 0.000 0.247 289 L C 1.275 178.008 176.870 -0.227 0.000 1.135 289 L CA -0.573 54.135 54.840 -0.221 0.000 0.812 289 L CB 1.080 43.059 42.059 -0.133 0.000 1.431 289 L HN 0.745 nan 8.230 nan 0.000 0.499 290 S N -0.116 115.484 115.700 -0.166 0.000 2.382 290 S HA -0.065 4.408 4.470 0.005 0.000 0.228 290 S C 0.967 175.474 174.600 -0.155 0.000 1.027 290 S CA 1.161 59.273 58.200 -0.148 0.000 0.991 290 S CB -0.129 63.010 63.200 -0.102 0.000 0.823 290 S HN 0.577 nan 8.310 nan 0.000 0.469 291 N N 0.470 119.087 118.700 -0.139 0.000 2.194 291 N HA 0.174 4.917 4.740 0.005 0.000 0.231 291 N C -0.512 174.909 175.510 -0.148 0.000 1.247 291 N CA 0.193 53.165 53.050 -0.129 0.000 0.884 291 N CB 1.246 39.692 38.487 -0.067 0.000 1.146 291 N HN 0.419 nan 8.380 nan 0.000 0.516 292 S N -1.092 114.484 115.700 -0.205 0.000 2.661 292 S HA 0.549 5.022 4.470 0.005 0.000 0.268 292 S C -1.784 172.648 174.600 -0.280 0.000 1.162 292 S CA -0.920 57.172 58.200 -0.181 0.000 0.817 292 S CB 1.303 64.505 63.200 0.003 0.000 1.141 292 S HN 0.157 nan 8.310 nan 0.000 0.477 293 W N 0.603 121.900 121.300 -0.005 0.000 2.448 293 W HA 0.720 5.383 4.660 0.005 0.000 0.339 293 W C -0.561 175.945 176.519 -0.022 0.000 1.124 293 W CA -0.546 56.753 57.345 -0.078 0.000 1.262 293 W CB 1.133 30.567 29.460 -0.044 0.000 1.251 293 W HN 0.610 nan 8.180 nan 0.000 0.597 294 F N 2.579 122.498 119.950 -0.051 0.000 2.507 294 F HA 0.640 5.170 4.527 0.004 0.000 0.325 294 F C -0.973 174.744 175.800 -0.139 0.000 1.116 294 F CA -1.313 56.632 58.000 -0.092 0.000 0.930 294 F CB 0.783 39.696 39.000 -0.146 0.000 1.146 294 F HN 0.190 nan 8.300 nan 0.000 0.447 295 C N 4.092 122.806 119.300 -0.978 0.000 2.396 295 C HA 0.813 5.276 4.460 0.005 0.000 0.321 295 C C 0.301 174.547 174.990 -1.240 0.000 1.233 295 C CA -0.795 57.743 59.018 -0.800 0.000 1.440 295 C CB 0.661 28.314 27.740 -0.145 0.000 2.110 295 C HN 1.066 nan 8.230 nan 0.000 0.473 296 G N 3.779 111.929 108.800 -1.084 0.000 2.487 296 G HA2 0.653 4.616 3.960 0.005 0.000 0.314 296 G HA3 0.653 4.616 3.960 0.005 0.000 0.314 296 G C -0.908 173.851 174.900 -0.235 0.000 1.267 296 G CA -0.297 44.464 45.100 -0.565 0.000 0.937 296 G HN 0.688 nan 8.290 nan 0.000 0.481 297 L N 3.513 124.717 121.223 -0.032 0.000 2.360 297 L HA 0.499 4.842 4.340 0.005 0.000 0.271 297 L C -1.704 175.245 176.870 0.131 0.000 1.057 297 L CA -2.110 52.809 54.840 0.132 0.000 0.803 297 L CB 2.083 44.231 42.059 0.148 0.000 1.207 297 L HN 0.325 nan 8.230 nan 0.000 0.445 298 P HA 0.031 nan 4.420 nan 0.000 0.272 298 P C 0.454 177.830 177.300 0.126 0.000 1.223 298 P CA -0.232 62.960 63.100 0.152 0.000 0.784 298 P CB 0.943 32.746 31.700 0.171 0.000 0.923 299 G N 1.949 110.816 108.800 0.111 0.000 2.422 299 G HA2 -0.214 3.749 3.960 0.005 0.000 0.218 299 G HA3 -0.214 3.749 3.960 0.005 0.000 0.218 299 G C 0.791 175.753 174.900 0.102 0.000 1.146 299 G CA 0.288 45.446 45.100 0.097 0.000 0.769 299 G HN 0.603 nan 8.290 nan 0.000 0.547 300 N N 1.439 120.210 118.700 0.119 0.000 2.411 300 N HA 0.086 4.829 4.740 0.005 0.000 0.261 300 N C -0.617 174.987 175.510 0.157 0.000 1.248 300 N CA -1.022 52.110 53.050 0.136 0.000 0.885 300 N CB 1.418 39.994 38.487 0.148 0.000 1.062 300 N HN -0.033 nan 8.380 nan 0.000 0.471 301 P HA -0.184 nan 4.420 nan 0.000 0.215 301 P C 1.121 178.623 177.300 0.337 0.000 1.153 301 P CA 1.115 64.328 63.100 0.187 0.000 0.853 301 P CB 0.176 31.948 31.700 0.120 0.000 0.788 302 V N 0.647 120.794 119.914 0.388 0.000 2.343 302 V HA -0.186 3.937 4.120 0.005 0.000 0.247 302 V C 2.765 179.055 176.094 0.327 0.000 1.051 302 V CA 2.403 64.968 62.300 0.443 0.000 1.036 302 V CB -1.554 30.479 31.823 0.351 0.000 0.654 302 V HN 0.163 nan 8.190 nan 0.000 0.451 303 S N 0.323 116.167 115.700 0.239 0.000 2.382 303 S HA -0.129 4.344 4.470 0.005 0.000 0.228 303 S C 2.210 176.918 174.600 0.181 0.000 1.027 303 S CA 1.341 59.652 58.200 0.185 0.000 0.991 303 S CB -0.458 62.837 63.200 0.160 0.000 0.823 303 S HN 0.646 nan 8.310 nan 0.000 0.469 304 A N 1.376 124.310 122.820 0.190 0.000 1.898 304 A HA -0.089 4.234 4.320 0.005 0.000 0.216 304 A C 2.340 180.047 177.584 0.204 0.000 1.181 304 A CA 1.950 54.096 52.037 0.182 0.000 0.620 304 A CB -1.294 17.792 19.000 0.142 0.000 0.819 304 A HN 0.451 nan 8.150 nan 0.000 0.442 305 T N 0.013 114.692 114.554 0.208 0.000 2.777 305 T HA -0.113 4.240 4.350 0.005 0.000 0.266 305 T C 1.837 176.687 174.700 0.250 0.000 1.040 305 T CA 1.519 63.736 62.100 0.196 0.000 1.141 305 T CB -0.325 68.597 68.868 0.090 0.000 0.868 305 T HN 0.321 nan 8.240 nan 0.000 0.444 306 L N 0.977 122.337 121.223 0.229 0.000 2.093 306 L HA -0.035 4.308 4.340 0.005 0.000 0.208 306 L C 2.431 179.314 176.870 0.022 0.000 1.085 306 L CA 1.760 56.679 54.840 0.132 0.000 0.755 306 L CB -1.032 41.058 42.059 0.052 0.000 0.904 306 L HN 0.155 nan 8.230 nan 0.000 0.435 307 T N -0.699 113.884 114.554 0.048 0.000 2.821 307 T HA -0.182 4.172 4.350 0.005 0.000 0.267 307 T C 1.584 176.275 174.700 -0.015 0.000 1.046 307 T CA 1.718 63.791 62.100 -0.045 0.000 1.139 307 T CB -0.492 68.396 68.868 0.033 0.000 0.871 307 T HN 0.419 nan 8.240 nan 0.000 0.454 308 F N 0.705 120.669 119.950 0.024 0.000 2.102 308 F HA -0.092 4.437 4.527 0.005 0.000 0.298 308 F C 2.138 177.952 175.800 0.024 0.000 1.105 308 F CA 0.935 58.955 58.000 0.034 0.000 1.239 308 F CB -0.476 38.561 39.000 0.062 0.000 0.991 308 F HN 0.131 nan 8.300 nan 0.000 0.474 309 Y N 0.874 121.249 120.300 0.124 0.000 2.165 309 Y HA -0.241 4.312 4.550 0.005 0.000 0.286 309 Y C 2.255 178.077 175.900 -0.130 0.000 1.155 309 Y CA 2.068 60.205 58.100 0.061 0.000 1.164 309 Y CB -0.223 38.366 38.460 0.215 0.000 0.978 309 Y HN 0.148 nan 8.280 nan 0.000 0.513 310 Q N -1.119 118.630 119.800 -0.086 0.000 2.384 310 Q HA 0.132 4.475 4.340 0.005 0.000 0.207 310 Q C 1.726 177.547 176.000 -0.298 0.000 0.904 310 Q CA 0.624 56.295 55.803 -0.219 0.000 0.933 310 Q CB 0.910 29.440 28.738 -0.346 0.000 1.077 310 Q HN 0.522 nan 8.270 nan 0.000 0.522 311 L N -1.458 119.549 121.223 -0.361 0.000 2.638 311 L HA 0.084 4.427 4.340 0.005 0.000 0.195 311 L C 1.991 178.643 176.870 -0.365 0.000 1.065 311 L CA 0.228 54.832 54.840 -0.393 0.000 0.859 311 L CB 0.111 41.822 42.059 -0.579 0.000 1.269 311 L HN -0.143 nan 8.230 nan 0.000 0.484 312 V N 0.222 119.878 119.914 -0.430 0.000 2.427 312 V HA -0.274 3.849 4.120 0.005 0.000 0.248 312 V C 2.308 178.047 176.094 -0.592 0.000 1.051 312 V CA 1.900 63.913 62.300 -0.478 0.000 1.048 312 V CB -0.449 30.994 31.823 -0.634 0.000 0.666 312 V HN 0.481 nan 8.190 nan 0.000 0.456 313 Q N 0.638 119.992 119.800 -0.744 0.000 2.030 313 Q HA -0.175 4.168 4.340 0.005 0.000 0.204 313 Q C -0.076 175.732 176.000 -0.321 0.000 0.986 313 Q CA 2.555 58.040 55.803 -0.531 0.000 0.843 313 Q CB -0.938 27.492 28.738 -0.512 0.000 0.904 313 Q HN 0.531 nan 8.270 nan 0.000 0.420 314 P HA -0.149 nan 4.420 nan 0.000 0.221 314 P C 1.440 178.629 177.300 -0.186 0.000 1.150 314 P CA 0.816 63.791 63.100 -0.209 0.000 0.800 314 P CB -0.079 31.503 31.700 -0.197 0.000 0.787 315 L N -0.128 120.968 121.223 -0.211 0.000 2.046 315 L HA -0.114 4.229 4.340 0.005 0.000 0.208 315 L C 2.463 179.254 176.870 -0.131 0.000 1.077 315 L CA 1.724 56.457 54.840 -0.178 0.000 0.747 315 L CB -1.402 40.557 42.059 -0.167 0.000 0.896 315 L HN -0.190 nan 8.230 nan 0.000 0.432 316 L N -0.709 120.436 121.223 -0.131 0.000 2.141 316 L HA -0.104 4.239 4.340 0.005 0.000 0.209 316 L C 2.681 179.511 176.870 -0.065 0.000 1.094 316 L CA 0.898 55.693 54.840 -0.075 0.000 0.763 316 L CB -1.008 41.011 42.059 -0.066 0.000 0.908 316 L HN 0.370 nan 8.230 nan 0.000 0.437 317 A N 0.469 123.234 122.820 -0.091 0.000 1.877 317 A HA -0.258 4.065 4.320 0.005 0.000 0.216 317 A C 2.426 179.974 177.584 -0.060 0.000 1.186 317 A CA 2.017 54.010 52.037 -0.074 0.000 0.620 317 A CB -0.428 18.518 19.000 -0.089 0.000 0.822 317 A HN 0.332 nan 8.150 nan 0.000 0.443 318 K N -0.378 119.979 120.400 -0.071 0.000 2.097 318 K HA -0.017 4.306 4.320 0.005 0.000 0.205 318 K C 1.849 178.428 176.600 -0.035 0.000 1.050 318 K CA 1.112 57.364 56.287 -0.057 0.000 0.938 318 K CB -0.280 32.174 32.500 -0.076 0.000 0.718 318 K HN 0.473 nan 8.250 nan 0.000 0.442 319 L N 1.063 122.267 121.223 -0.031 0.000 2.083 319 L HA -0.155 4.188 4.340 0.005 0.000 0.209 319 L C 2.430 179.308 176.870 0.014 0.000 1.083 319 L CA 1.470 56.313 54.840 0.005 0.000 0.752 319 L CB -0.478 41.595 42.059 0.023 0.000 0.899 319 L HN 0.315 nan 8.230 nan 0.000 0.433 320 S N -0.596 115.103 115.700 -0.001 0.000 2.507 320 S HA -0.007 4.466 4.470 0.005 0.000 0.235 320 S C 1.607 176.205 174.600 -0.002 0.000 0.988 320 S CA 0.675 58.875 58.200 0.001 0.000 0.944 320 S CB -0.039 63.155 63.200 -0.009 0.000 0.762 320 S HN 0.598 nan 8.310 nan 0.000 0.526 321 G N 1.329 110.126 108.800 -0.005 0.000 2.176 321 G HA2 -0.282 3.681 3.960 0.005 0.000 0.232 321 G HA3 -0.282 3.681 3.960 0.005 0.000 0.232 321 G C -0.105 174.786 174.900 -0.014 0.000 0.986 321 G CA -0.034 45.063 45.100 -0.005 0.000 0.643 321 G HN 0.733 nan 8.290 nan 0.000 0.522 322 N N 0.850 119.536 118.700 -0.024 0.000 2.452 322 N HA 0.338 5.081 4.740 0.005 0.000 0.266 322 N C 1.872 177.365 175.510 -0.029 0.000 1.209 322 N CA 0.756 53.788 53.050 -0.031 0.000 0.929 322 N CB 0.520 38.983 38.487 -0.040 0.000 1.063 322 N HN 0.334 nan 8.380 nan 0.000 0.472 323 T N 0.637 115.177 114.554 -0.023 0.000 3.035 323 T HA 0.110 4.463 4.350 0.005 0.000 0.259 323 T C 0.708 175.395 174.700 -0.022 0.000 1.078 323 T CA -0.072 62.017 62.100 -0.019 0.000 1.132 323 T CB 0.127 68.990 68.868 -0.010 0.000 0.900 323 T HN 0.430 nan 8.240 nan 0.000 0.480 324 A N 1.311 124.117 122.820 -0.024 0.000 2.310 324 A HA 0.682 5.005 4.320 0.005 0.000 0.300 324 A C -0.101 177.465 177.584 -0.030 0.000 1.269 324 A CA -0.576 51.447 52.037 -0.023 0.000 0.909 324 A CB 0.154 19.142 19.000 -0.021 0.000 1.144 324 A HN 0.436 nan 8.150 nan 0.000 0.540 325 S N 0.413 116.094 115.700 -0.031 0.000 2.552 325 S HA 0.783 5.256 4.470 0.005 0.000 0.272 325 S C 0.346 174.922 174.600 -0.039 0.000 1.150 325 S CA -0.083 58.093 58.200 -0.041 0.000 0.849 325 S CB 1.849 65.017 63.200 -0.054 0.000 1.113 325 S HN 1.799 nan 8.310 nan 0.000 0.458 326 G N -0.015 108.760 108.800 -0.042 0.000 4.226 326 G HA2 0.348 4.311 3.960 0.005 0.000 0.220 326 G HA3 0.348 4.311 3.960 0.005 0.000 0.220 326 G C -0.246 174.639 174.900 -0.025 0.000 0.817 326 G CA 0.127 45.206 45.100 -0.035 0.000 0.879 326 G HN 0.926 nan 8.290 nan 0.000 0.669 327 L N -0.464 120.743 121.223 -0.028 0.000 1.391 327 L HA -0.059 4.284 4.340 0.005 0.000 0.353 327 L C -1.693 175.204 176.870 0.045 0.000 1.002 327 L CA -0.137 54.696 54.840 -0.011 0.000 1.220 327 L CB -1.182 40.867 42.059 -0.017 0.000 0.457 327 L HN 0.243 nan 8.230 nan 0.000 0.212 328 P HA 0.365 nan 4.420 nan 0.000 0.269 328 P C -0.780 176.591 177.300 0.118 0.000 1.209 328 P CA 0.103 63.279 63.100 0.128 0.000 0.776 328 P CB 0.741 32.562 31.700 0.203 0.000 0.876 329 A N 3.728 126.604 122.820 0.093 0.000 2.313 329 A HA 0.394 4.717 4.320 0.005 0.000 0.261 329 A C 0.442 178.079 177.584 0.088 0.000 1.090 329 A CA -0.377 51.706 52.037 0.076 0.000 0.807 329 A CB 0.245 19.278 19.000 0.054 0.000 1.055 329 A HN 0.573 nan 8.150 nan 0.000 0.492 330 R N -0.255 120.286 120.500 0.069 0.000 2.732 330 R HA 0.512 4.855 4.340 0.005 0.000 0.278 330 R C -0.749 175.581 176.300 0.051 0.000 0.976 330 R CA -0.568 55.571 56.100 0.066 0.000 0.963 330 R CB 1.725 32.057 30.300 0.055 0.000 1.150 330 R HN 0.912 nan 8.270 nan 0.000 0.478 331 Q N 1.305 121.138 119.800 0.054 0.000 2.421 331 Q HA 0.453 4.796 4.340 0.005 0.000 0.280 331 Q C -1.149 174.899 176.000 0.080 0.000 1.085 331 Q CA -1.280 54.558 55.803 0.059 0.000 0.807 331 Q CB 2.383 31.157 28.738 0.060 0.000 1.405 331 Q HN 0.593 nan 8.270 nan 0.000 0.419 332 R N 0.370 120.938 120.500 0.114 0.000 2.349 332 R HA 0.749 5.092 4.340 0.005 0.000 0.299 332 R C -1.078 175.419 176.300 0.329 0.000 1.027 332 R CA -0.544 55.682 56.100 0.210 0.000 0.958 332 R CB 1.463 31.880 30.300 0.195 0.000 1.047 332 R HN 0.391 nan 8.270 nan 0.000 0.468 333 V N 2.281 122.358 119.914 0.270 0.000 3.188 333 V HA 0.443 4.566 4.120 0.005 0.000 0.305 333 V C -0.403 175.575 176.094 -0.193 0.000 1.232 333 V CA -1.206 61.131 62.300 0.062 0.000 1.043 333 V CB 2.511 34.331 31.823 -0.005 0.000 1.068 333 V HN 0.801 nan 8.190 nan 0.000 0.439 334 R N 0.550 120.743 120.500 -0.511 0.000 2.500 334 R HA 0.569 4.912 4.340 0.005 0.000 0.275 334 R C -0.260 175.857 176.300 -0.305 0.000 1.051 334 R CA -0.380 55.362 56.100 -0.596 0.000 1.088 334 R CB 1.417 31.254 30.300 -0.771 0.000 1.063 334 R HN 0.738 nan 8.270 nan 0.000 0.511 335 T N -0.613 113.794 114.554 -0.245 0.000 2.867 335 T HA 0.433 4.786 4.350 0.005 0.000 0.282 335 T C 0.475 175.087 174.700 -0.147 0.000 1.000 335 T CA -0.379 61.625 62.100 -0.161 0.000 1.042 335 T CB 1.425 70.221 68.868 -0.119 0.000 0.973 335 T HN 0.636 nan 8.240 nan 0.000 0.465 336 A N 3.081 125.829 122.820 -0.119 0.000 2.390 336 A HA 0.522 4.845 4.320 0.005 0.000 0.232 336 A C 0.648 178.183 177.584 -0.083 0.000 1.233 336 A CA -0.278 51.698 52.037 -0.101 0.000 0.907 336 A CB 0.319 19.263 19.000 -0.093 0.000 0.967 336 A HN 0.641 nan 8.150 nan 0.000 0.512 337 S N 0.552 116.203 115.700 -0.082 0.000 2.502 337 S HA 0.454 4.927 4.470 0.005 0.000 0.304 337 S C -0.173 174.387 174.600 -0.067 0.000 1.097 337 S CA -0.735 57.423 58.200 -0.071 0.000 1.045 337 S CB 1.313 64.470 63.200 -0.071 0.000 1.019 337 S HN 0.488 nan 8.310 nan 0.000 0.481 338 R N 1.790 122.254 120.500 -0.060 0.000 2.623 338 R HA 0.276 4.619 4.340 0.005 0.000 0.271 338 R C -0.794 175.472 176.300 -0.058 0.000 1.043 338 R CA 0.292 56.359 56.100 -0.055 0.000 1.083 338 R CB 0.109 30.380 30.300 -0.049 0.000 0.974 338 R HN 0.500 nan 8.270 nan 0.000 0.436 339 L N 2.570 123.762 121.223 -0.053 0.000 2.386 339 L HA 0.441 4.784 4.340 0.005 0.000 0.271 339 L C -0.312 176.531 176.870 -0.044 0.000 0.993 339 L CA -0.848 53.960 54.840 -0.052 0.000 0.819 339 L CB 2.146 44.175 42.059 -0.050 0.000 1.294 339 L HN 0.370 nan 8.230 nan 0.000 0.414 340 K N 2.466 122.838 120.400 -0.046 0.000 2.183 340 K HA 0.532 4.855 4.320 0.005 0.000 0.274 340 K C -0.869 175.715 176.600 -0.027 0.000 1.009 340 K CA -0.519 55.746 56.287 -0.037 0.000 0.888 340 K CB 1.276 33.750 32.500 -0.043 0.000 1.078 340 K HN 0.293 nan 8.250 nan 0.000 0.459 341 K N 1.181 121.569 120.400 -0.021 0.000 2.523 341 K HA 0.399 4.722 4.320 0.005 0.000 0.257 341 K C -1.660 174.934 176.600 -0.009 0.000 0.932 341 K CA -0.457 55.821 56.287 -0.015 0.000 0.812 341 K CB 2.017 34.506 32.500 -0.020 0.000 1.326 341 K HN 0.443 nan 8.250 nan 0.000 0.433 342 T N 5.028 119.580 114.554 -0.003 0.000 2.807 342 T HA 0.527 4.880 4.350 0.005 0.000 0.279 342 T C -2.631 172.070 174.700 0.001 0.000 0.993 342 T CA -1.442 60.659 62.100 0.001 0.000 0.970 342 T CB 1.675 70.547 68.868 0.007 0.000 0.950 342 T HN 0.413 nan 8.240 nan 0.000 0.441 343 P HA 0.360 nan 4.420 nan 0.000 0.270 343 P C 1.024 178.327 177.300 0.004 0.000 1.223 343 P CA 0.632 63.731 63.100 -0.001 0.000 0.785 343 P CB 0.439 32.138 31.700 -0.002 0.000 0.923 344 G N 0.494 109.296 108.800 0.003 0.000 2.213 344 G HA2 -0.193 3.770 3.960 0.005 0.000 0.226 344 G HA3 -0.193 3.770 3.960 0.005 0.000 0.226 344 G C 0.069 174.977 174.900 0.013 0.000 0.992 344 G CA -0.385 44.720 45.100 0.008 0.000 0.632 344 G HN 0.580 nan 8.290 nan 0.000 0.511 345 R N -0.796 119.713 120.500 0.015 0.000 2.604 345 R HA 0.588 4.931 4.340 0.005 0.000 0.281 345 R C -1.147 175.167 176.300 0.022 0.000 1.020 345 R CA -0.961 55.156 56.100 0.028 0.000 0.899 345 R CB 1.975 32.301 30.300 0.043 0.000 1.205 345 R HN 0.154 nan 8.270 nan 0.000 0.450 346 L N 2.587 123.833 121.223 0.039 0.000 2.325 346 L HA 0.202 4.545 4.340 0.005 0.000 0.284 346 L C -0.614 176.290 176.870 0.057 0.000 1.089 346 L CA 0.183 55.026 54.840 0.004 0.000 0.836 346 L CB 0.484 42.565 42.059 0.038 0.000 1.184 346 L HN 0.462 nan 8.230 nan 0.000 0.444 347 D N 4.737 125.122 120.400 -0.025 0.000 2.428 347 D HA 0.139 4.782 4.640 0.005 0.000 0.221 347 D C -0.709 175.585 176.300 -0.009 0.000 1.123 347 D CA -0.227 53.797 54.000 0.040 0.000 0.869 347 D CB 0.133 40.944 40.800 0.018 0.000 1.032 347 D HN 0.254 nan 8.370 nan 0.000 0.506 348 F N 2.993 122.921 119.950 -0.037 0.000 2.679 348 F HA 0.165 4.695 4.527 0.004 0.000 0.351 348 F C 1.338 177.196 175.800 0.097 0.000 1.279 348 F CA -0.218 57.753 58.000 -0.049 0.000 1.227 348 F CB -0.246 38.568 39.000 -0.309 0.000 1.623 348 F HN 0.161 nan 8.300 nan 0.000 0.666 349 Q N 1.359 121.265 119.800 0.176 0.000 2.354 349 Q HA 0.406 4.749 4.340 0.005 0.000 0.244 349 Q C 0.104 176.188 176.000 0.140 0.000 0.969 349 Q CA -0.642 55.233 55.803 0.121 0.000 0.885 349 Q CB 1.001 29.754 28.738 0.026 0.000 1.241 349 Q HN 0.362 nan 8.270 nan 0.000 0.461 350 R N -0.028 120.463 120.500 -0.015 0.000 2.486 350 R HA 0.723 5.066 4.340 0.005 0.000 0.286 350 R C -0.169 176.020 176.300 -0.184 0.000 0.999 350 R CA -0.075 55.923 56.100 -0.171 0.000 0.993 350 R CB 1.614 31.707 30.300 -0.345 0.000 1.084 350 R HN 0.768 nan 8.270 nan 0.000 0.487 351 G N -0.556 108.088 108.800 -0.260 0.000 2.682 351 G HA2 0.524 4.487 3.960 0.005 0.000 0.303 351 G HA3 0.524 4.487 3.960 0.005 0.000 0.303 351 G C -1.710 173.036 174.900 -0.258 0.000 1.341 351 G CA -0.570 44.402 45.100 -0.213 0.000 0.784 351 G HN 0.336 nan 8.290 nan 0.000 0.497 352 V N 0.784 120.584 119.914 -0.190 0.000 2.443 352 V HA 0.452 4.575 4.120 0.005 0.000 0.293 352 V C -0.034 175.973 176.094 -0.146 0.000 1.021 352 V CA -0.544 61.650 62.300 -0.176 0.000 0.848 352 V CB 1.255 33.001 31.823 -0.128 0.000 0.998 352 V HN 0.609 nan 8.190 nan 0.000 0.424 353 L N 5.000 126.132 121.223 -0.152 0.000 2.331 353 L HA 0.539 4.882 4.340 0.005 0.000 0.278 353 L C 0.041 176.861 176.870 -0.084 0.000 1.106 353 L CA 0.252 55.025 54.840 -0.112 0.000 0.824 353 L CB 1.215 43.209 42.059 -0.108 0.000 1.142 353 L HN 0.749 nan 8.230 nan 0.000 0.443 354 Q N 3.058 122.816 119.800 -0.070 0.000 2.590 354 Q HA 0.453 4.796 4.340 0.005 0.000 0.295 354 Q C -1.211 174.760 176.000 -0.048 0.000 0.973 354 Q CA -1.066 54.704 55.803 -0.055 0.000 0.768 354 Q CB 2.290 30.994 28.738 -0.056 0.000 1.479 354 Q HN 0.470 nan 8.270 nan 0.000 0.419 355 R N 1.465 121.942 120.500 -0.037 0.000 2.490 355 R HA 0.270 4.613 4.340 0.005 0.000 0.278 355 R C -0.356 175.922 176.300 -0.036 0.000 1.069 355 R CA -0.265 55.816 56.100 -0.032 0.000 1.080 355 R CB 0.493 30.779 30.300 -0.022 0.000 1.030 355 R HN 0.660 nan 8.270 nan 0.000 0.491 356 N N 0.487 119.165 118.700 -0.036 0.000 2.477 356 N HA 0.171 4.914 4.740 0.005 0.000 0.284 356 N C 0.574 176.067 175.510 -0.029 0.000 1.182 356 N CA -0.360 52.666 53.050 -0.039 0.000 0.949 356 N CB 0.701 39.158 38.487 -0.050 0.000 1.204 356 N HN 0.441 nan 8.380 nan 0.000 0.526 357 A N -0.012 122.791 122.820 -0.028 0.000 2.009 357 A HA -0.268 4.055 4.320 0.005 0.000 0.222 357 A C 1.432 179.006 177.584 -0.016 0.000 1.175 357 A CA 1.971 53.996 52.037 -0.021 0.000 0.651 357 A CB -0.774 18.213 19.000 -0.021 0.000 0.815 357 A HN 0.810 nan 8.150 nan 0.000 0.459 358 D N -2.552 117.837 120.400 -0.017 0.000 2.183 358 D HA 0.198 4.841 4.640 0.005 0.000 0.205 358 D C 1.481 177.777 176.300 -0.007 0.000 0.962 358 D CA 1.434 55.428 54.000 -0.010 0.000 0.849 358 D CB 0.230 41.025 40.800 -0.009 0.000 0.978 358 D HN 0.638 nan 8.370 nan 0.000 0.488 359 G N 1.101 109.895 108.800 -0.010 0.000 2.273 359 G HA2 -0.151 3.812 3.960 0.005 0.000 0.162 359 G HA3 -0.151 3.812 3.960 0.005 0.000 0.162 359 G C -0.026 174.872 174.900 -0.004 0.000 1.006 359 G CA -0.493 44.603 45.100 -0.006 0.000 0.704 359 G HN 0.210 nan 8.290 nan 0.000 0.487 360 E N 0.192 120.387 120.200 -0.009 0.000 2.202 360 E HA 0.638 4.991 4.350 0.005 0.000 0.272 360 E C 0.349 176.934 176.600 -0.024 0.000 0.951 360 E CA -0.825 55.572 56.400 -0.005 0.000 0.813 360 E CB 1.741 31.444 29.700 0.005 0.000 1.151 360 E HN 0.228 nan 8.360 nan 0.000 0.398 361 L N 2.381 123.592 121.223 -0.020 0.000 2.461 361 L HA 0.146 4.490 4.340 0.005 0.000 0.272 361 L C 0.303 177.133 176.870 -0.066 0.000 1.197 361 L CA 0.432 55.250 54.840 -0.037 0.000 0.836 361 L CB 0.076 42.120 42.059 -0.025 0.000 1.105 361 L HN 0.637 nan 8.230 nan 0.000 0.477 362 E N 1.296 121.448 120.200 -0.080 0.000 2.356 362 E HA 0.590 4.943 4.350 0.005 0.000 0.275 362 E C -1.587 174.953 176.600 -0.101 0.000 0.904 362 E CA -0.925 55.409 56.400 -0.110 0.000 0.757 362 E CB 2.398 32.028 29.700 -0.117 0.000 1.232 362 E HN 0.206 nan 8.360 nan 0.000 0.442 363 V N 2.221 122.069 119.914 -0.110 0.000 2.513 363 V HA 0.546 4.669 4.120 0.005 0.000 0.299 363 V C -0.857 175.175 176.094 -0.104 0.000 1.035 363 V CA -0.005 62.231 62.300 -0.107 0.000 0.889 363 V CB 1.880 33.640 31.823 -0.105 0.000 0.988 363 V HN 0.951 nan 8.190 nan 0.000 0.440 364 T N 4.017 118.510 114.554 -0.102 0.000 2.949 364 T HA 0.412 4.765 4.350 0.005 0.000 0.287 364 T C -0.091 174.551 174.700 -0.098 0.000 1.034 364 T CA -0.179 61.866 62.100 -0.092 0.000 1.018 364 T CB 1.605 70.424 68.868 -0.081 0.000 1.135 364 T HN 0.853 nan 8.240 nan 0.000 0.532 365 T N -0.058 114.444 114.554 -0.086 0.000 2.824 365 T HA 0.345 4.698 4.350 0.005 0.000 0.277 365 T C 1.431 176.080 174.700 -0.086 0.000 0.975 365 T CA 0.055 62.103 62.100 -0.087 0.000 0.966 365 T CB 0.521 69.344 68.868 -0.075 0.000 1.054 365 T HN 0.763 nan 8.240 nan 0.000 0.533 366 T N -1.157 113.344 114.554 -0.088 0.000 2.990 366 T HA 0.573 4.926 4.350 0.005 0.000 0.250 366 T C 1.114 175.792 174.700 -0.037 0.000 1.041 366 T CA 0.562 62.614 62.100 -0.081 0.000 1.010 366 T CB -0.019 68.778 68.868 -0.120 0.000 1.003 366 T HN 1.236 nan 8.240 nan 0.000 0.499 367 G N 0.810 109.597 108.800 -0.023 0.000 2.247 367 G HA2 0.111 4.074 3.960 0.005 0.000 0.229 367 G HA3 0.111 4.074 3.960 0.005 0.000 0.229 367 G C -1.431 173.496 174.900 0.045 0.000 1.345 367 G CA -0.874 44.250 45.100 0.041 0.000 1.100 367 G HN 0.514 nan 8.290 nan 0.000 0.473 368 H N 1.044 120.122 119.070 0.012 0.000 2.948 368 H HA 0.374 4.933 4.556 0.004 0.000 0.351 368 H C 0.947 176.297 175.328 0.036 0.000 1.079 368 H CA 0.815 56.892 56.048 0.049 0.000 1.407 368 H CB 0.755 30.597 29.762 0.134 0.000 1.373 368 H HN 0.383 nan 8.280 nan 0.000 0.605 369 Q N 2.045 121.922 119.800 0.129 0.000 2.172 369 Q HA 0.205 4.548 4.340 0.005 0.000 0.217 369 Q C 0.998 177.078 176.000 0.133 0.000 0.832 369 Q CA -0.005 55.846 55.803 0.079 0.000 1.010 369 Q CB 0.768 29.524 28.738 0.030 0.000 1.133 369 Q HN 0.823 nan 8.270 nan 0.000 0.489 370 G N 1.349 110.294 108.800 0.242 0.000 2.750 370 G HA2 0.105 4.068 3.960 0.005 0.000 0.250 370 G HA3 0.105 4.068 3.960 0.005 0.000 0.250 370 G C 0.648 175.725 174.900 0.294 0.000 1.230 370 G CA 0.255 45.526 45.100 0.285 0.000 0.883 370 G HN 0.276 nan 8.290 nan 0.000 0.573 371 S N -1.431 114.439 115.700 0.283 0.000 2.575 371 S HA 0.046 4.519 4.470 0.005 0.000 0.237 371 S C 1.275 176.037 174.600 0.270 0.000 0.975 371 S CA 0.350 58.694 58.200 0.240 0.000 0.960 371 S CB -0.164 63.154 63.200 0.196 0.000 0.822 371 S HN 0.853 nan 8.310 nan 0.000 0.472 372 H N 1.812 120.946 119.070 0.107 0.000 2.539 372 H HA 0.431 4.991 4.556 0.006 0.000 0.267 372 H C 0.472 175.863 175.328 0.105 0.000 0.982 372 H CA -0.282 55.822 56.048 0.094 0.000 1.146 372 H CB -0.525 29.276 29.762 0.064 0.000 1.382 372 H HN 0.702 nan 8.280 nan 0.000 0.577 373 I N -5.111 115.361 120.570 -0.163 0.000 2.994 373 I HA 0.340 4.513 4.170 0.005 0.000 0.306 373 I C -0.565 175.630 176.117 0.129 0.000 1.195 373 I CA -1.255 59.967 61.300 -0.131 0.000 1.001 373 I CB 1.802 39.601 38.000 -0.335 0.000 1.244 373 I HN -0.148 nan 8.210 nan 0.000 0.437 374 F N 1.585 121.545 119.950 0.017 0.000 2.740 374 F HA 0.067 4.597 4.527 0.004 0.000 0.304 374 F C 2.433 178.313 175.800 0.135 0.000 1.098 374 F CA 0.958 59.043 58.000 0.141 0.000 1.258 374 F CB 0.525 39.606 39.000 0.136 0.000 1.061 374 F HN 0.665 nan 8.300 nan 0.000 0.598 375 S N -0.171 115.614 115.700 0.141 0.000 2.441 375 S HA -0.244 4.229 4.470 0.005 0.000 0.242 375 S C 2.081 176.647 174.600 -0.057 0.000 1.018 375 S CA 1.508 59.743 58.200 0.058 0.000 0.988 375 S CB -1.248 61.971 63.200 0.033 0.000 0.778 375 S HN 0.472 nan 8.310 nan 0.000 0.498 376 S N 0.142 115.739 115.700 -0.171 0.000 2.474 376 S HA 0.063 4.536 4.470 0.005 0.000 0.235 376 S C 1.324 175.694 174.600 -0.385 0.000 0.997 376 S CA 0.412 58.449 58.200 -0.272 0.000 0.949 376 S CB -0.874 62.125 63.200 -0.335 0.000 0.766 376 S HN 0.504 nan 8.310 nan 0.000 0.517 377 F N 1.810 121.533 119.950 -0.379 0.000 2.367 377 F HA 0.161 4.691 4.527 0.005 0.000 0.298 377 F C 2.947 178.605 175.800 -0.237 0.000 1.094 377 F CA 0.779 58.472 58.000 -0.512 0.000 1.409 377 F CB -0.566 37.884 39.000 -0.917 0.000 1.064 377 F HN 0.355 nan 8.300 nan 0.000 0.528 378 S N 0.149 115.872 115.700 0.037 0.000 2.348 378 S HA -0.066 4.407 4.470 0.005 0.000 0.219 378 S C 2.132 176.755 174.600 0.038 0.000 1.033 378 S CA 0.844 59.091 58.200 0.080 0.000 0.974 378 S CB -0.444 62.811 63.200 0.092 0.000 0.868 378 S HN 0.273 nan 8.310 nan 0.000 0.459 379 L N 1.242 122.458 121.223 -0.011 0.000 2.012 379 L HA 0.077 4.420 4.340 0.005 0.000 0.210 379 L C 1.834 178.663 176.870 -0.069 0.000 1.073 379 L CA 0.815 55.633 54.840 -0.036 0.000 0.748 379 L CB -1.287 40.740 42.059 -0.053 0.000 0.891 379 L HN 0.388 nan 8.230 nan 0.000 0.431 380 G N 0.052 108.783 108.800 -0.114 0.000 2.580 380 G HA2 0.205 4.168 3.960 0.005 0.000 0.278 380 G HA3 0.205 4.168 3.960 0.005 0.000 0.278 380 G C 0.142 174.891 174.900 -0.251 0.000 1.212 380 G CA 0.017 44.984 45.100 -0.221 0.000 0.939 380 G HN 0.477 nan 8.290 nan 0.000 0.513 381 N N -2.574 115.800 118.700 -0.544 0.000 2.167 381 N HA 0.173 4.917 4.740 0.005 0.000 0.234 381 N C -0.092 174.721 175.510 -1.161 0.000 1.312 381 N CA 0.118 52.814 53.050 -0.590 0.000 0.861 381 N CB -0.189 38.162 38.487 -0.228 0.000 1.217 381 N HN 0.813 nan 8.380 nan 0.000 0.504 382 C N -2.904 115.359 119.300 -1.728 0.000 3.275 382 C HA 0.771 5.234 4.460 0.005 0.000 0.340 382 C C -1.797 172.603 174.990 -0.984 0.000 1.366 382 C CA -1.453 56.803 59.018 -1.270 0.000 1.227 382 C CB 0.019 27.472 27.740 -0.478 0.000 1.512 382 C HN 0.022 nan 8.230 nan 0.000 0.461 383 F N 1.364 121.179 119.950 -0.224 0.000 2.458 383 F HA 0.709 5.239 4.527 0.005 0.000 0.336 383 F C 0.391 176.157 175.800 -0.056 0.000 1.114 383 F CA -1.154 56.852 58.000 0.010 0.000 0.987 383 F CB 1.546 40.708 39.000 0.271 0.000 1.130 383 F HN 0.486 nan 8.300 nan 0.000 0.458 384 I N 4.745 125.398 120.570 0.137 0.000 2.291 384 I HA 0.206 4.379 4.170 0.005 0.000 0.290 384 I C -0.670 175.413 176.117 -0.057 0.000 1.050 384 I CA -0.615 60.691 61.300 0.010 0.000 1.245 384 I CB 0.828 38.812 38.000 -0.028 0.000 1.405 384 I HN 0.158 nan 8.210 nan 0.000 0.478 385 V N 8.024 127.851 119.914 -0.146 0.000 2.313 385 V HA 0.181 4.304 4.120 0.005 0.000 0.252 385 V C 0.433 176.365 176.094 -0.270 0.000 1.112 385 V CA -0.303 61.764 62.300 -0.389 0.000 0.984 385 V CB -0.019 31.522 31.823 -0.469 0.000 1.157 385 V HN 0.495 nan 8.190 nan 0.000 0.493 386 L N 4.034 125.120 121.223 -0.228 0.000 2.315 386 L HA 0.321 4.664 4.340 0.005 0.000 0.283 386 L C 0.700 177.491 176.870 -0.133 0.000 1.089 386 L CA -0.548 54.211 54.840 -0.135 0.000 0.833 386 L CB 0.447 42.454 42.059 -0.086 0.000 1.170 386 L HN 0.530 nan 8.230 nan 0.000 0.442 387 E N 1.885 122.027 120.200 -0.097 0.000 2.604 387 E HA -0.169 4.184 4.350 0.005 0.000 0.267 387 E C 1.065 177.632 176.600 -0.055 0.000 0.970 387 E CA 0.342 56.697 56.400 -0.074 0.000 0.956 387 E CB 0.368 30.038 29.700 -0.049 0.000 0.939 387 E HN 0.383 nan 8.360 nan 0.000 0.465 388 R N 2.416 122.889 120.500 -0.045 0.000 2.119 388 R HA -0.207 4.136 4.340 0.005 0.000 0.246 388 R C 0.199 176.488 176.300 -0.017 0.000 1.146 388 R CA 1.926 58.011 56.100 -0.025 0.000 0.962 388 R CB 0.140 30.428 30.300 -0.019 0.000 0.863 388 R HN 0.524 nan 8.270 nan 0.000 0.442 389 D N -0.174 120.214 120.400 -0.019 0.000 2.427 389 D HA 0.034 4.677 4.640 0.005 0.000 0.224 389 D C -0.153 176.139 176.300 -0.013 0.000 1.157 389 D CA -0.038 53.955 54.000 -0.013 0.000 0.828 389 D CB 0.264 41.056 40.800 -0.012 0.000 0.974 389 D HN 0.215 nan 8.370 nan 0.000 0.498 390 R N 0.031 120.521 120.500 -0.017 0.000 2.532 390 R HA 0.528 4.871 4.340 0.005 0.000 0.272 390 R C 0.486 176.778 176.300 -0.013 0.000 1.032 390 R CA -0.403 55.688 56.100 -0.015 0.000 1.089 390 R CB 1.235 31.524 30.300 -0.019 0.000 1.098 390 R HN 0.029 nan 8.270 nan 0.000 0.526 391 G N 0.622 109.416 108.800 -0.011 0.000 3.008 391 G HA2 0.174 4.137 3.960 0.005 0.000 0.181 391 G HA3 0.174 4.137 3.960 0.005 0.000 0.181 391 G C -0.879 174.013 174.900 -0.014 0.000 1.309 391 G CA -0.800 44.293 45.100 -0.011 0.000 1.009 391 G HN 0.627 nan 8.290 nan 0.000 0.584 392 N N 0.027 118.719 118.700 -0.015 0.000 2.407 392 N HA 0.208 4.951 4.740 0.005 0.000 0.250 392 N C -0.038 175.460 175.510 -0.019 0.000 1.236 392 N CA -0.017 53.022 53.050 -0.019 0.000 0.879 392 N CB 1.739 40.214 38.487 -0.020 0.000 1.088 392 N HN 0.465 nan 8.380 nan 0.000 0.450 393 V N -0.014 119.885 119.914 -0.024 0.000 2.555 393 V HA 0.440 4.563 4.120 0.005 0.000 0.302 393 V C -0.037 176.037 176.094 -0.033 0.000 1.038 393 V CA -0.690 61.596 62.300 -0.024 0.000 0.887 393 V CB 1.867 33.675 31.823 -0.025 0.000 0.991 393 V HN 0.451 nan 8.190 nan 0.000 0.434 394 E N 2.983 123.164 120.200 -0.031 0.000 2.267 394 E HA 0.414 4.767 4.350 0.005 0.000 0.258 394 E C -0.382 176.186 176.600 -0.055 0.000 1.074 394 E CA -0.409 55.968 56.400 -0.038 0.000 0.915 394 E CB 1.947 31.630 29.700 -0.029 0.000 1.186 394 E HN 0.953 nan 8.360 nan 0.000 0.439 395 V N -0.979 118.900 119.914 -0.060 0.000 2.540 395 V HA 0.440 4.563 4.120 0.005 0.000 0.297 395 V C 1.120 177.158 176.094 -0.092 0.000 1.024 395 V CA 0.697 62.949 62.300 -0.079 0.000 1.105 395 V CB -0.048 31.733 31.823 -0.070 0.000 0.938 395 V HN 0.946 nan 8.190 nan 0.000 0.482 396 G N 2.651 111.367 108.800 -0.139 0.000 2.376 396 G HA2 -0.179 3.784 3.960 0.005 0.000 0.208 396 G HA3 -0.179 3.784 3.960 0.005 0.000 0.208 396 G C 0.126 174.883 174.900 -0.239 0.000 1.032 396 G CA 0.072 45.066 45.100 -0.178 0.000 0.641 396 G HN 0.849 nan 8.290 nan 0.000 0.503 397 E N -0.399 119.717 120.200 -0.140 0.000 2.455 397 E HA 0.291 4.644 4.350 0.005 0.000 0.259 397 E C -0.281 176.204 176.600 -0.192 0.000 1.245 397 E CA 0.096 56.455 56.400 -0.069 0.000 1.013 397 E CB 0.424 30.127 29.700 0.005 0.000 0.978 397 E HN 0.401 nan 8.360 nan 0.000 0.479 398 W N 0.276 121.558 121.300 -0.029 0.000 2.449 398 W HA 0.415 5.077 4.660 0.005 0.000 0.331 398 W C -0.320 176.178 176.519 -0.036 0.000 1.119 398 W CA -0.372 56.955 57.345 -0.031 0.000 1.240 398 W CB 1.168 30.612 29.460 -0.027 0.000 1.251 398 W HN 0.275 nan 8.180 nan 0.000 0.576 399 V N -1.133 118.883 119.914 0.169 0.000 3.159 399 V HA 0.575 4.698 4.120 0.005 0.000 0.308 399 V C -0.715 175.429 176.094 0.083 0.000 1.190 399 V CA -1.414 60.933 62.300 0.078 0.000 1.037 399 V CB 2.076 33.900 31.823 0.001 0.000 1.060 399 V HN 0.472 nan 8.190 nan 0.000 0.437 400 E N 1.421 121.640 120.200 0.032 0.000 2.231 400 E HA 0.651 5.004 4.350 0.005 0.000 0.277 400 E C -0.632 175.972 176.600 0.007 0.000 0.999 400 E CA -0.357 56.058 56.400 0.025 0.000 0.827 400 E CB 2.238 31.934 29.700 -0.006 0.000 1.101 400 E HN 1.081 nan 8.360 nan 0.000 0.393 401 V N -0.897 119.032 119.914 0.026 0.000 2.914 401 V HA 0.565 4.688 4.120 0.005 0.000 0.314 401 V C -0.407 175.729 176.094 0.069 0.000 1.084 401 V CA -0.900 61.416 62.300 0.027 0.000 0.963 401 V CB 2.164 33.985 31.823 -0.005 0.000 1.025 401 V HN 0.709 nan 8.190 nan 0.000 0.432 402 E N 4.053 124.327 120.200 0.123 0.000 2.402 402 E HA 0.451 4.804 4.350 0.005 0.000 0.244 402 E C -2.823 173.904 176.600 0.212 0.000 0.945 402 E CA -2.237 54.290 56.400 0.212 0.000 0.774 402 E CB 2.194 32.100 29.700 0.342 0.000 1.296 402 E HN 0.715 nan 8.360 nan 0.000 0.414 403 P HA -0.044 nan 4.420 nan 0.000 0.265 403 P C -0.354 177.115 177.300 0.282 0.000 1.193 403 P CA 0.032 63.174 63.100 0.070 0.000 0.765 403 P CB 0.248 31.990 31.700 0.069 0.000 0.823 404 F N 2.970 122.988 119.950 0.115 0.000 2.602 404 F HA -0.008 4.522 4.527 0.005 0.000 0.367 404 F C 1.697 177.661 175.800 0.274 0.000 1.126 404 F CA -0.102 58.024 58.000 0.210 0.000 1.321 404 F CB -0.544 38.533 39.000 0.130 0.000 1.094 404 F HN 0.392 nan 8.300 nan 0.000 0.594 405 N N 1.420 120.463 118.700 0.573 0.000 2.381 405 N HA 0.330 5.073 4.740 0.005 0.000 0.289 405 N C 0.649 176.331 175.510 0.287 0.000 1.288 405 N CA -0.015 53.254 53.050 0.366 0.000 0.960 405 N CB -0.327 38.350 38.487 0.316 0.000 1.116 405 N HN 0.460 nan 8.380 nan 0.000 0.557 406 A N -0.884 122.045 122.820 0.181 0.000 2.225 406 A HA 0.034 4.357 4.320 0.005 0.000 0.215 406 A C 1.985 179.596 177.584 0.046 0.000 1.164 406 A CA 0.546 52.653 52.037 0.117 0.000 0.710 406 A CB -1.064 17.988 19.000 0.086 0.000 0.780 406 A HN 0.597 nan 8.150 nan 0.000 0.473 407 L N -1.938 119.274 121.223 -0.017 0.000 2.291 407 L HA 0.031 4.374 4.340 0.005 0.000 0.214 407 L C 0.395 176.985 176.870 -0.467 0.000 1.120 407 L CA 0.391 55.065 54.840 -0.278 0.000 0.799 407 L CB -0.263 41.545 42.059 -0.418 0.000 0.925 407 L HN 0.349 nan 8.230 nan 0.000 0.446 408 F N 0.000 119.969 119.950 0.032 0.000 2.286 408 F HA 0.000 4.530 4.527 0.005 0.000 0.279 408 F CA 0.000 57.998 58.000 -0.003 0.000 1.383 408 F CB 0.000 38.882 39.000 -0.197 0.000 1.145 408 F HN 0.000 nan 8.300 nan 0.000 0.574