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 2dve_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLGLKTSIIG RRVIYFQEIT STNEFAKTSY LEEGTVIVAD KQTMGHGRLN DATA SEQUENCE AKWESPEGGL WLSIVLSPKV PQKDLPKIVF LGAVGVVETL KEFSIDGRIK DATA SEQUENCE WPNDVLVNYK KIAGVLVEGK GDKIVLGIGL NVNNKVPNGA TSMKLELGSE DATA SEQUENCE VPLLSVFRSL ITNLDRLYLN FLKNPMDILN LVRDNMILGV RVKILGDGSF DATA SEQUENCE EGIAEDIDDF GRLIIRLDSG EVKKVIYGDV SLRFL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.295 176.300 -0.009 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.013 0.000 0.988 1 M CB 0.000 32.583 32.600 -0.028 0.000 1.302 2 L N 2.124 123.347 121.223 -0.000 0.000 2.240 2 L HA 0.299 4.647 4.340 0.013 0.000 0.211 2 L C 1.517 178.408 176.870 0.036 0.000 1.106 2 L CA 1.302 56.153 54.840 0.018 0.000 0.793 2 L CB -0.599 41.484 42.059 0.040 0.000 0.927 2 L HN 0.768 nan 8.230 nan 0.000 0.446 3 G N 1.324 110.143 108.800 0.031 0.000 2.305 3 G HA2 -0.283 3.685 3.960 0.013 0.000 0.287 3 G HA3 -0.283 3.685 3.960 0.013 0.000 0.287 3 G C 0.201 175.125 174.900 0.041 0.000 1.036 3 G CA -0.106 45.012 45.100 0.031 0.000 0.887 3 G HN 0.234 nan 8.290 nan 0.000 0.505 4 L N -0.637 120.620 121.223 0.055 0.000 2.456 4 L HA 0.260 4.608 4.340 0.013 0.000 0.272 4 L C 1.151 178.045 176.870 0.040 0.000 1.189 4 L CA -0.008 54.867 54.840 0.058 0.000 0.846 4 L CB 0.579 42.685 42.059 0.080 0.000 1.111 4 L HN -0.034 nan 8.230 nan 0.000 0.475 5 K N 1.376 121.795 120.400 0.031 0.000 2.537 5 K HA 0.161 4.488 4.320 0.013 0.000 0.206 5 K C 0.320 176.934 176.600 0.024 0.000 1.041 5 K CA -0.087 56.215 56.287 0.025 0.000 1.090 5 K CB 0.319 32.830 32.500 0.019 0.000 0.833 5 K HN 0.720 nan 8.250 nan 0.000 0.493 6 T N -2.285 112.285 114.554 0.026 0.000 2.828 6 T HA 0.211 4.569 4.350 0.013 0.000 0.290 6 T C 1.388 176.111 174.700 0.039 0.000 1.019 6 T CA -0.339 61.778 62.100 0.028 0.000 1.031 6 T CB 1.477 70.358 68.868 0.021 0.000 1.001 6 T HN -0.110 nan 8.240 nan 0.000 0.531 7 S N 0.167 115.896 115.700 0.048 0.000 2.388 7 S HA 0.196 4.674 4.470 0.013 0.000 0.223 7 S C 1.548 176.191 174.600 0.071 0.000 1.034 7 S CA 0.293 58.526 58.200 0.055 0.000 0.963 7 S CB -0.319 62.914 63.200 0.056 0.000 0.827 7 S HN 0.704 nan 8.310 nan 0.000 0.481 8 I N -0.255 120.371 120.570 0.093 0.000 3.746 8 I HA 0.269 4.447 4.170 0.013 0.000 0.262 8 I C -0.307 175.852 176.117 0.069 0.000 1.153 8 I CA 0.026 61.391 61.300 0.108 0.000 1.395 8 I CB 0.279 38.399 38.000 0.200 0.000 1.589 8 I HN 0.016 nan 8.210 nan 0.000 0.441 9 I N 2.793 123.395 120.570 0.052 0.000 2.494 9 I HA 0.157 4.335 4.170 0.013 0.000 0.289 9 I C 0.974 177.093 176.117 0.004 0.000 1.106 9 I CA 0.732 62.027 61.300 -0.008 0.000 1.369 9 I CB 0.146 38.114 38.000 -0.054 0.000 1.410 9 I HN 0.579 nan 8.210 nan 0.000 0.523 10 G N 5.183 113.999 108.800 0.028 0.000 2.168 10 G HA2 -0.212 3.755 3.960 0.013 0.000 0.197 10 G HA3 -0.212 3.755 3.960 0.013 0.000 0.197 10 G C 1.109 176.053 174.900 0.073 0.000 0.997 10 G CA -0.311 44.826 45.100 0.062 0.000 0.658 10 G HN 0.617 nan 8.290 nan 0.000 0.513 11 R N -0.316 120.221 120.500 0.062 0.000 2.091 11 R HA -0.009 4.339 4.340 0.013 0.000 0.238 11 R C 1.210 177.550 176.300 0.067 0.000 1.136 11 R CA 1.366 57.503 56.100 0.061 0.000 0.959 11 R CB -0.021 30.314 30.300 0.058 0.000 0.856 11 R HN 0.416 nan 8.270 nan 0.000 0.437 12 R N -0.512 120.035 120.500 0.078 0.000 2.795 12 R HA 0.490 4.838 4.340 0.013 0.000 0.275 12 R C -1.429 174.939 176.300 0.112 0.000 0.981 12 R CA -0.732 55.419 56.100 0.085 0.000 0.917 12 R CB 2.891 33.240 30.300 0.083 0.000 1.202 12 R HN -0.167 nan 8.270 nan 0.000 0.469 13 V N 3.360 123.342 119.914 0.113 0.000 2.623 13 V HA 0.443 4.571 4.120 0.013 0.000 0.304 13 V C -0.567 175.588 176.094 0.102 0.000 1.054 13 V CA -0.645 61.740 62.300 0.143 0.000 0.882 13 V CB 2.129 34.054 31.823 0.170 0.000 1.002 13 V HN 0.603 nan 8.190 nan 0.000 0.424 14 I N 5.287 125.930 120.570 0.122 0.000 2.354 14 I HA 0.379 4.557 4.170 0.013 0.000 0.286 14 I C -0.909 175.243 176.117 0.057 0.000 1.007 14 I CA -0.632 60.689 61.300 0.035 0.000 1.167 14 I CB 1.065 39.108 38.000 0.072 0.000 1.320 14 I HN 0.691 nan 8.210 nan 0.000 0.458 15 Y N 7.850 128.047 120.300 -0.172 0.000 2.323 15 Y HA 0.608 5.165 4.550 0.012 0.000 0.331 15 Y C -1.549 174.208 175.900 -0.239 0.000 1.092 15 Y CA -0.674 57.364 58.100 -0.105 0.000 1.150 15 Y CB 0.946 39.322 38.460 -0.140 0.000 1.200 15 Y HN 0.299 nan 8.280 nan 0.000 0.472 16 F N 4.386 123.706 119.950 -1.049 0.000 2.529 16 F HA 0.343 4.878 4.527 0.012 0.000 0.320 16 F C 1.003 176.185 175.800 -1.030 0.000 1.118 16 F CA -0.708 56.762 58.000 -0.884 0.000 0.915 16 F CB 2.283 40.997 39.000 -0.476 0.000 1.161 16 F HN 0.597 nan 8.300 nan 0.000 0.445 17 Q N 0.833 120.317 119.800 -0.526 0.000 2.124 17 Q HA -0.123 4.225 4.340 0.013 0.000 0.202 17 Q C 0.163 176.127 176.000 -0.061 0.000 0.977 17 Q CA 1.449 57.139 55.803 -0.189 0.000 0.850 17 Q CB 0.364 29.080 28.738 -0.037 0.000 0.901 17 Q HN 0.680 nan 8.270 nan 0.000 0.429 18 E N -0.591 119.587 120.200 -0.036 0.000 2.372 18 E HA 0.576 4.934 4.350 0.013 0.000 0.279 18 E C -1.855 174.707 176.600 -0.063 0.000 0.946 18 E CA -0.381 56.005 56.400 -0.024 0.000 0.769 18 E CB 1.810 31.505 29.700 -0.008 0.000 1.230 18 E HN 0.071 nan 8.360 nan 0.000 0.442 19 I N 1.675 122.157 120.570 -0.146 0.000 3.093 19 I HA 0.247 4.425 4.170 0.013 0.000 0.308 19 I C 1.082 177.095 176.117 -0.175 0.000 1.303 19 I CA -0.327 60.808 61.300 -0.275 0.000 0.975 19 I CB 2.264 39.877 38.000 -0.645 0.000 1.286 19 I HN 0.847 nan 8.210 nan 0.000 0.459 20 T N 0.593 115.059 114.554 -0.146 0.000 2.698 20 T HA 0.023 4.381 4.350 0.013 0.000 0.260 20 T C 0.650 175.296 174.700 -0.090 0.000 1.044 20 T CA 0.917 62.968 62.100 -0.081 0.000 1.149 20 T CB -0.183 68.663 68.868 -0.037 0.000 0.864 20 T HN 0.509 nan 8.240 nan 0.000 0.419 21 S N 0.136 115.772 115.700 -0.107 0.000 2.584 21 S HA 0.415 4.893 4.470 0.013 0.000 0.280 21 S C 0.825 175.352 174.600 -0.121 0.000 1.162 21 S CA 0.015 58.150 58.200 -0.108 0.000 0.951 21 S CB 1.426 64.602 63.200 -0.039 0.000 1.108 21 S HN 0.532 nan 8.310 nan 0.000 0.464 22 T N 2.866 117.335 114.554 -0.142 0.000 2.867 22 T HA -0.082 4.276 4.350 0.013 0.000 0.268 22 T C 1.441 176.126 174.700 -0.024 0.000 1.057 22 T CA 1.629 63.666 62.100 -0.105 0.000 1.136 22 T CB -0.609 68.224 68.868 -0.060 0.000 0.874 22 T HN 0.525 nan 8.240 nan 0.000 0.466 23 N N 1.251 119.902 118.700 -0.081 0.000 2.142 23 N HA -0.049 4.699 4.740 0.013 0.000 0.186 23 N C 2.062 177.573 175.510 0.000 0.000 1.023 23 N CA 1.163 54.173 53.050 -0.066 0.000 0.852 23 N CB -0.226 38.163 38.487 -0.163 0.000 0.998 23 N HN 0.425 nan 8.380 nan 0.000 0.424 24 E N -0.191 120.025 120.200 0.027 0.000 2.072 24 E HA -0.145 4.213 4.350 0.013 0.000 0.191 24 E C 1.782 178.394 176.600 0.021 0.000 0.985 24 E CA 0.532 56.957 56.400 0.042 0.000 0.801 24 E CB -0.514 29.222 29.700 0.061 0.000 0.750 24 E HN 0.402 nan 8.360 nan 0.000 0.452 25 F N 1.599 121.488 119.950 -0.102 0.000 2.134 25 F HA -0.165 4.370 4.527 0.013 0.000 0.299 25 F C 2.264 178.028 175.800 -0.060 0.000 1.097 25 F CA 1.539 59.480 58.000 -0.099 0.000 1.264 25 F CB -0.189 38.704 39.000 -0.177 0.000 1.001 25 F HN -0.007 nan 8.300 nan 0.000 0.479 26 A N 0.150 123.044 122.820 0.123 0.000 1.902 26 A HA -0.190 4.137 4.320 0.013 0.000 0.217 26 A C 2.234 179.773 177.584 -0.074 0.000 1.181 26 A CA 1.810 53.875 52.037 0.046 0.000 0.623 26 A CB -0.626 18.416 19.000 0.071 0.000 0.818 26 A HN 0.451 nan 8.150 nan 0.000 0.443 27 K N -1.018 119.337 120.400 -0.076 0.000 2.057 27 K HA -0.069 4.259 4.320 0.013 0.000 0.206 27 K C 2.070 178.568 176.600 -0.169 0.000 1.050 27 K CA 1.720 57.949 56.287 -0.096 0.000 0.935 27 K CB -0.289 32.173 32.500 -0.062 0.000 0.715 27 K HN 0.467 nan 8.250 nan 0.000 0.439 28 T N 0.886 115.309 114.554 -0.219 0.000 2.851 28 T HA -0.011 4.347 4.350 0.013 0.000 0.262 28 T C 1.005 175.435 174.700 -0.450 0.000 1.043 28 T CA 0.558 62.480 62.100 -0.297 0.000 1.140 28 T CB 0.062 68.774 68.868 -0.260 0.000 0.872 28 T HN 0.069 nan 8.240 nan 0.000 0.446 29 S N 0.637 116.018 115.700 -0.532 0.000 2.603 29 S HA 0.311 4.788 4.470 0.013 0.000 0.268 29 S C -0.757 173.611 174.600 -0.386 0.000 1.317 29 S CA -0.568 57.301 58.200 -0.551 0.000 1.012 29 S CB 0.150 62.875 63.200 -0.792 0.000 0.926 29 S HN 0.270 nan 8.310 nan 0.000 0.539 30 Y N 1.852 122.081 120.300 -0.118 0.000 2.504 30 Y HA 0.440 4.998 4.550 0.013 0.000 0.351 30 Y C 0.110 175.997 175.900 -0.022 0.000 0.988 30 Y CA -0.259 57.809 58.100 -0.053 0.000 1.239 30 Y CB -0.354 38.086 38.460 -0.033 0.000 1.128 30 Y HN 0.314 nan 8.280 nan 0.000 0.525 31 L N 2.513 123.807 121.223 0.119 0.000 2.371 31 L HA 0.507 4.855 4.340 0.013 0.000 0.262 31 L C -0.177 176.748 176.870 0.091 0.000 1.006 31 L CA -1.136 53.766 54.840 0.103 0.000 0.818 31 L CB 2.464 44.577 42.059 0.090 0.000 1.354 31 L HN 0.401 nan 8.230 nan 0.000 0.415 32 E N 0.799 121.050 120.200 0.085 0.000 2.349 32 E HA 0.135 4.492 4.350 0.013 0.000 0.262 32 E C -0.627 176.010 176.600 0.060 0.000 1.088 32 E CA -0.518 55.925 56.400 0.070 0.000 0.899 32 E CB 1.355 31.094 29.700 0.066 0.000 1.044 32 E HN 0.452 nan 8.360 nan 0.000 0.420 33 E N 0.071 120.305 120.200 0.056 0.000 2.414 33 E HA 0.016 4.374 4.350 0.013 0.000 0.263 33 E C 0.549 177.173 176.600 0.040 0.000 1.000 33 E CA 0.904 57.331 56.400 0.046 0.000 0.914 33 E CB 0.219 29.962 29.700 0.073 0.000 0.948 33 E HN 0.723 nan 8.360 nan 0.000 0.444 34 G N 3.211 112.011 108.800 0.001 0.000 2.217 34 G HA2 -0.251 3.716 3.960 0.013 0.000 0.246 34 G HA3 -0.251 3.716 3.960 0.013 0.000 0.246 34 G C 0.363 175.278 174.900 0.025 0.000 0.990 34 G CA 0.250 45.350 45.100 -0.000 0.000 0.627 34 G HN 0.619 nan 8.290 nan 0.000 0.522 35 T N 1.427 116.009 114.554 0.047 0.000 2.888 35 T HA 0.458 4.816 4.350 0.013 0.000 0.301 35 T C 0.444 175.198 174.700 0.090 0.000 1.001 35 T CA 0.231 62.380 62.100 0.083 0.000 1.147 35 T CB 1.973 70.905 68.868 0.107 0.000 0.931 35 T HN 0.473 nan 8.240 nan 0.000 0.541 36 V N 5.516 125.505 119.914 0.124 0.000 2.435 36 V HA 0.403 4.531 4.120 0.013 0.000 0.290 36 V C -0.055 176.156 176.094 0.195 0.000 1.030 36 V CA -0.901 61.490 62.300 0.151 0.000 0.881 36 V CB 1.422 33.370 31.823 0.208 0.000 0.983 36 V HN 0.688 nan 8.190 nan 0.000 0.445 37 I N 5.477 126.157 120.570 0.184 0.000 2.362 37 I HA 0.543 4.721 4.170 0.013 0.000 0.289 37 I C -0.230 175.990 176.117 0.171 0.000 0.994 37 I CA -0.359 61.060 61.300 0.198 0.000 1.158 37 I CB 1.448 39.553 38.000 0.177 0.000 1.315 37 I HN 0.383 nan 8.210 nan 0.000 0.451 38 V N 5.907 125.946 119.914 0.208 0.000 2.841 38 V HA 0.933 5.061 4.120 0.013 0.000 0.310 38 V C -0.977 175.224 176.094 0.177 0.000 1.090 38 V CA -0.281 62.134 62.300 0.193 0.000 0.930 38 V CB 2.109 34.055 31.823 0.204 0.000 1.014 38 V HN 0.910 nan 8.190 nan 0.000 0.425 39 A N 3.653 126.565 122.820 0.153 0.000 2.475 39 A HA 0.655 4.982 4.320 0.013 0.000 0.301 39 A C 0.180 177.895 177.584 0.219 0.000 1.059 39 A CA -0.395 51.703 52.037 0.101 0.000 0.710 39 A CB 1.616 20.614 19.000 -0.003 0.000 1.288 39 A HN 0.786 nan 8.150 nan 0.000 0.408 40 D N 0.546 121.049 120.400 0.171 0.000 2.144 40 D HA -0.035 4.612 4.640 0.013 0.000 0.199 40 D C 0.454 176.964 176.300 0.351 0.000 0.984 40 D CA 1.940 56.072 54.000 0.221 0.000 0.834 40 D CB 0.147 41.056 40.800 0.182 0.000 0.955 40 D HN 0.697 nan 8.370 nan 0.000 0.465 41 K N -0.724 119.844 120.400 0.279 0.000 2.551 41 K HA 0.481 4.809 4.320 0.013 0.000 0.269 41 K C -1.170 175.447 176.600 0.028 0.000 0.949 41 K CA -0.876 55.541 56.287 0.217 0.000 0.849 41 K CB 1.858 34.433 32.500 0.124 0.000 1.411 41 K HN -0.265 nan 8.250 nan 0.000 0.432 42 Q N 0.767 120.487 119.800 -0.134 0.000 2.353 42 Q HA 0.248 4.596 4.340 0.013 0.000 0.268 42 Q C 0.048 175.967 176.000 -0.135 0.000 1.045 42 Q CA -0.717 54.992 55.803 -0.157 0.000 0.811 42 Q CB 2.336 30.941 28.738 -0.222 0.000 1.305 42 Q HN 0.903 nan 8.270 nan 0.000 0.447 43 T N -1.546 112.952 114.554 -0.093 0.000 3.051 43 T HA 0.197 4.555 4.350 0.013 0.000 0.255 43 T C 0.936 175.602 174.700 -0.057 0.000 1.085 43 T CA 0.382 62.441 62.100 -0.068 0.000 1.109 43 T CB 0.212 69.052 68.868 -0.047 0.000 0.921 43 T HN 0.537 nan 8.240 nan 0.000 0.488 44 M N 1.732 121.301 119.600 -0.051 0.000 3.320 44 M HA 0.393 4.881 4.480 0.013 0.000 0.414 44 M C 0.514 176.826 176.300 0.019 0.000 1.553 44 M CA -0.748 54.546 55.300 -0.010 0.000 0.742 44 M CB 1.367 33.971 32.600 0.006 0.000 1.434 44 M HN 0.261 nan 8.290 nan 0.000 0.505 45 G N 0.617 109.397 108.800 -0.032 0.000 2.491 45 G HA2 0.361 4.329 3.960 0.013 0.000 0.242 45 G HA3 0.361 4.329 3.960 0.013 0.000 0.242 45 G C -0.714 174.240 174.900 0.090 0.000 1.266 45 G CA 0.196 45.273 45.100 -0.039 0.000 0.844 45 G HN 0.712 nan 8.290 nan 0.000 0.571 46 H N -1.320 117.765 119.070 0.026 0.000 3.008 46 H HA 0.771 5.335 4.556 0.013 0.000 0.354 46 H C 0.307 175.636 175.328 0.001 0.000 1.252 46 H CA -0.470 55.606 56.048 0.048 0.000 1.117 46 H CB 1.205 30.966 29.762 -0.002 0.000 1.857 46 H HN 0.726 nan 8.280 nan 0.000 0.547 47 G N 0.045 108.989 108.800 0.239 0.000 3.039 47 G HA2 0.394 4.362 3.960 0.013 0.000 0.159 47 G HA3 0.394 4.362 3.960 0.013 0.000 0.159 47 G C -0.597 174.413 174.900 0.183 0.000 1.284 47 G CA -1.409 43.763 45.100 0.120 0.000 0.996 47 G HN 0.613 nan 8.290 nan 0.000 0.592 48 R N -0.402 120.154 120.500 0.093 0.000 2.679 48 R HA 0.322 4.670 4.340 0.013 0.000 0.269 48 R C 0.162 176.474 176.300 0.020 0.000 1.076 48 R CA -0.336 55.789 56.100 0.042 0.000 1.160 48 R CB 0.370 30.672 30.300 0.002 0.000 1.054 48 R HN 0.409 nan 8.270 nan 0.000 0.507 49 L N 1.474 122.679 121.223 -0.030 0.000 3.742 49 L HA -0.328 4.019 4.340 0.013 0.000 0.431 49 L C 0.198 177.035 176.870 -0.054 0.000 1.220 49 L CA 0.616 55.426 54.840 -0.050 0.000 0.863 49 L CB -1.707 40.330 42.059 -0.037 0.000 1.751 49 L HN 0.932 nan 8.230 nan 0.000 0.922 50 N N -1.218 117.427 118.700 -0.093 0.000 2.714 50 N HA -0.190 4.558 4.740 0.013 0.000 0.250 50 N C 0.446 175.958 175.510 0.005 0.000 1.117 50 N CA 0.993 53.967 53.050 -0.127 0.000 0.719 50 N CB -0.169 38.221 38.487 -0.161 0.000 1.081 50 N HN 0.698 nan 8.380 nan 0.000 0.557 51 A N 0.228 123.086 122.820 0.063 0.000 2.498 51 A HA 0.328 4.655 4.320 0.013 0.000 0.239 51 A C 0.627 178.293 177.584 0.136 0.000 1.068 51 A CA 0.101 52.190 52.037 0.086 0.000 0.766 51 A CB 0.310 19.373 19.000 0.105 0.000 1.003 51 A HN 0.429 nan 8.150 nan 0.000 0.497 52 K N 2.173 122.629 120.400 0.093 0.000 2.368 52 K HA 0.117 4.445 4.320 0.013 0.000 0.282 52 K C -0.773 175.901 176.600 0.123 0.000 1.035 52 K CA 0.040 56.378 56.287 0.085 0.000 0.973 52 K CB 0.314 32.821 32.500 0.011 0.000 0.957 52 K HN 0.701 nan 8.250 nan 0.000 0.474 53 W N 6.760 128.010 121.300 -0.084 0.000 2.362 53 W HA 0.231 4.899 4.660 0.013 0.000 0.316 53 W C -0.945 175.426 176.519 -0.247 0.000 1.024 53 W CA -0.681 56.575 57.345 -0.149 0.000 1.270 53 W CB 1.087 30.439 29.460 -0.180 0.000 1.273 53 W HN 0.565 nan 8.180 nan 0.000 0.424 54 E N 3.132 122.920 120.200 -0.688 0.000 2.351 54 E HA 0.045 4.403 4.350 0.013 0.000 0.266 54 E C -0.202 175.913 176.600 -0.808 0.000 1.031 54 E CA 0.452 56.511 56.400 -0.569 0.000 0.911 54 E CB 1.039 30.468 29.700 -0.452 0.000 0.986 54 E HN 0.239 nan 8.360 nan 0.000 0.446 55 S N 4.938 120.236 115.700 -0.670 0.000 2.139 55 S HA 0.242 4.720 4.470 0.013 0.000 0.183 55 S C -2.212 172.158 174.600 -0.384 0.000 1.473 55 S CA -1.048 56.463 58.200 -1.149 0.000 1.263 55 S CB 0.713 63.185 63.200 -1.214 0.000 1.170 55 S HN 0.365 nan 8.310 nan 0.000 0.430 56 P HA 0.239 nan 4.420 nan 0.000 0.276 56 P C -0.294 177.245 177.300 0.398 0.000 1.261 56 P CA -0.421 62.779 63.100 0.166 0.000 0.800 56 P CB 0.789 32.548 31.700 0.098 0.000 1.066 57 E N -0.675 119.668 120.200 0.240 0.000 2.413 57 E HA 0.285 4.643 4.350 0.013 0.000 0.263 57 E C 1.057 177.747 176.600 0.151 0.000 1.015 57 E CA 1.161 57.684 56.400 0.205 0.000 0.916 57 E CB -0.283 29.488 29.700 0.118 0.000 0.947 57 E HN 0.810 nan 8.360 nan 0.000 0.440 58 G N 1.952 110.793 108.800 0.069 0.000 2.253 58 G HA2 -0.171 3.797 3.960 0.013 0.000 0.209 58 G HA3 -0.171 3.797 3.960 0.013 0.000 0.209 58 G C 0.416 175.227 174.900 -0.147 0.000 0.997 58 G CA -0.359 44.732 45.100 -0.015 0.000 0.640 58 G HN 0.813 nan 8.290 nan 0.000 0.496 59 G N -0.652 107.973 108.800 -0.292 0.000 2.521 59 G HA2 0.698 4.666 3.960 0.013 0.000 0.323 59 G HA3 0.698 4.666 3.960 0.013 0.000 0.323 59 G C -0.938 173.161 174.900 -1.336 0.000 1.211 59 G CA -0.674 43.872 45.100 -0.923 0.000 0.979 59 G HN 0.866 nan 8.290 nan 0.000 0.490 60 L N 0.444 120.913 121.223 -1.256 0.000 2.277 60 L HA 0.598 4.946 4.340 0.013 0.000 0.284 60 L C -1.417 175.138 176.870 -0.526 0.000 1.028 60 L CA -1.133 53.292 54.840 -0.692 0.000 0.835 60 L CB 0.347 42.237 42.059 -0.281 0.000 1.215 60 L HN 0.520 nan 8.230 nan 0.000 0.425 61 W N 7.737 129.093 121.300 0.094 0.000 2.336 61 W HA 0.618 5.284 4.660 0.010 0.000 0.315 61 W C -0.920 175.620 176.519 0.034 0.000 1.016 61 W CA -0.991 56.388 57.345 0.055 0.000 1.318 61 W CB 0.990 30.486 29.460 0.060 0.000 1.247 61 W HN 0.378 nan 8.180 nan 0.000 0.414 62 L N 0.531 121.869 121.223 0.192 0.000 2.479 62 L HA 0.943 5.291 4.340 0.013 0.000 0.255 62 L C -0.433 176.466 176.870 0.048 0.000 1.026 62 L CA -1.082 53.837 54.840 0.131 0.000 0.842 62 L CB 1.974 44.138 42.059 0.174 0.000 1.444 62 L HN 0.049 nan 8.230 nan 0.000 0.409 63 S N 0.776 116.503 115.700 0.046 0.000 2.549 63 S HA 0.857 5.335 4.470 0.013 0.000 0.280 63 S C -0.846 173.763 174.600 0.015 0.000 1.109 63 S CA -0.414 57.786 58.200 0.001 0.000 0.905 63 S CB 1.584 64.782 63.200 -0.003 0.000 1.081 63 S HN 0.589 nan 8.310 nan 0.000 0.477 64 I N 1.773 122.323 120.570 -0.033 0.000 2.465 64 I HA 0.407 4.585 4.170 0.013 0.000 0.291 64 I C -0.788 175.288 176.117 -0.069 0.000 1.014 64 I CA -1.009 60.261 61.300 -0.050 0.000 1.093 64 I CB 1.932 39.865 38.000 -0.112 0.000 1.267 64 I HN 0.263 nan 8.210 nan 0.000 0.431 65 V N 7.203 127.093 119.914 -0.041 0.000 2.461 65 V HA 0.393 4.521 4.120 0.013 0.000 0.275 65 V C 0.096 176.139 176.094 -0.086 0.000 1.047 65 V CA -0.134 62.142 62.300 -0.039 0.000 0.955 65 V CB 0.925 32.753 31.823 0.009 0.000 0.988 65 V HN 0.452 nan 8.190 nan 0.000 0.471 66 L N 3.638 124.803 121.223 -0.095 0.000 2.350 66 L HA 0.643 4.991 4.340 0.013 0.000 0.260 66 L C 0.049 176.926 176.870 0.013 0.000 1.015 66 L CA -0.387 54.383 54.840 -0.116 0.000 0.821 66 L CB 2.342 44.243 42.059 -0.264 0.000 1.370 66 L HN 0.514 nan 8.230 nan 0.000 0.416 67 S N 1.171 116.934 115.700 0.105 0.000 2.359 67 S HA 0.383 4.861 4.470 0.013 0.000 0.148 67 S C -2.551 172.171 174.600 0.204 0.000 1.610 67 S CA -0.944 57.331 58.200 0.125 0.000 1.274 67 S CB 0.267 63.525 63.200 0.097 0.000 1.380 67 S HN 0.306 nan 8.310 nan 0.000 0.380 68 P HA 0.036 nan 4.420 nan 0.000 0.260 68 P C -0.477 176.928 177.300 0.175 0.000 1.172 68 P CA 0.142 63.434 63.100 0.320 0.000 0.760 68 P CB 0.051 31.986 31.700 0.391 0.000 0.773 69 K N 2.656 123.119 120.400 0.105 0.000 2.765 69 K HA 0.376 4.704 4.320 0.013 0.000 0.246 69 K C -0.223 176.376 176.600 -0.001 0.000 1.254 69 K CA -0.627 55.685 56.287 0.042 0.000 1.219 69 K CB -0.277 32.232 32.500 0.015 0.000 1.747 69 K HN 0.262 nan 8.250 nan 0.000 0.372 70 V N -2.780 117.147 119.914 0.022 0.000 3.130 70 V HA 0.582 4.710 4.120 0.013 0.000 0.310 70 V C -2.865 173.233 176.094 0.007 0.000 1.158 70 V CA -2.797 59.480 62.300 -0.038 0.000 1.029 70 V CB 1.205 32.955 31.823 -0.123 0.000 1.057 70 V HN 0.159 nan 8.190 nan 0.000 0.436 71 P HA 0.121 nan 4.420 nan 0.000 0.268 71 P C 0.627 177.958 177.300 0.051 0.000 1.208 71 P CA 0.107 63.215 63.100 0.014 0.000 0.777 71 P CB 0.439 32.137 31.700 -0.003 0.000 0.875 72 Q N 2.467 122.304 119.800 0.061 0.000 2.181 72 Q HA -0.249 4.099 4.340 0.013 0.000 0.205 72 Q C 1.578 177.640 176.000 0.103 0.000 0.980 72 Q CA 1.832 57.682 55.803 0.080 0.000 0.862 72 Q CB -0.134 28.645 28.738 0.068 0.000 0.905 72 Q HN 0.452 nan 8.270 nan 0.000 0.429 73 K N -0.540 119.924 120.400 0.106 0.000 2.360 73 K HA -0.132 4.196 4.320 0.013 0.000 0.201 73 K C 0.943 177.628 176.600 0.141 0.000 1.046 73 K CA 1.704 58.083 56.287 0.153 0.000 0.945 73 K CB 0.156 32.754 32.500 0.163 0.000 0.750 73 K HN 0.176 nan 8.250 nan 0.000 0.464 74 D N 0.988 121.455 120.400 0.112 0.000 2.327 74 D HA 0.037 4.684 4.640 0.013 0.000 0.205 74 D C 1.899 178.379 176.300 0.301 0.000 0.989 74 D CA 0.404 54.501 54.000 0.161 0.000 0.873 74 D CB 0.110 40.936 40.800 0.043 0.000 0.955 74 D HN 0.197 nan 8.370 nan 0.000 0.515 75 L N 1.064 122.422 121.223 0.226 0.000 2.089 75 L HA -0.171 4.177 4.340 0.013 0.000 0.213 75 L C -0.501 176.436 176.870 0.112 0.000 1.079 75 L CA 1.434 56.386 54.840 0.188 0.000 0.758 75 L CB -1.799 40.333 42.059 0.122 0.000 0.891 75 L HN 0.005 nan 8.230 nan 0.000 0.433 76 P HA -0.156 nan 4.420 nan 0.000 0.226 76 P C 0.899 178.158 177.300 -0.067 0.000 1.146 76 P CA 1.242 64.366 63.100 0.041 0.000 0.773 76 P CB -0.019 31.753 31.700 0.121 0.000 0.772 77 K N -1.168 119.265 120.400 0.055 0.000 2.444 77 K HA 0.157 4.485 4.320 0.013 0.000 0.193 77 K C 1.601 178.104 176.600 -0.162 0.000 1.024 77 K CA 0.162 56.490 56.287 0.069 0.000 1.077 77 K CB -0.143 32.627 32.500 0.450 0.000 0.833 77 K HN 0.200 nan 8.250 nan 0.000 0.517 78 I N 0.512 120.927 120.570 -0.259 0.000 2.361 78 I HA -0.249 3.929 4.170 0.013 0.000 0.251 78 I C 2.247 178.192 176.117 -0.287 0.000 1.133 78 I CA 0.849 61.943 61.300 -0.343 0.000 1.413 78 I CB -0.203 37.648 38.000 -0.248 0.000 1.073 78 I HN 0.016 nan 8.210 nan 0.000 0.424 79 V N 0.962 120.662 119.914 -0.357 0.000 2.407 79 V HA -0.289 3.839 4.120 0.013 0.000 0.248 79 V C 2.290 178.228 176.094 -0.260 0.000 1.055 79 V CA 1.954 64.039 62.300 -0.358 0.000 1.049 79 V CB -0.438 31.085 31.823 -0.500 0.000 0.662 79 V HN 0.231 nan 8.190 nan 0.000 0.455 80 F N 0.037 119.908 119.950 -0.132 0.000 2.234 80 F HA -0.034 4.500 4.527 0.011 0.000 0.299 80 F C 2.126 177.873 175.800 -0.087 0.000 1.087 80 F CA 1.171 59.115 58.000 -0.093 0.000 1.340 80 F CB -0.973 38.006 39.000 -0.034 0.000 1.031 80 F HN 0.143 nan 8.300 nan 0.000 0.500 81 L N -0.500 120.743 121.223 0.033 0.000 2.046 81 L HA -0.151 4.196 4.340 0.013 0.000 0.208 81 L C 2.760 179.615 176.870 -0.025 0.000 1.077 81 L CA 1.476 56.304 54.840 -0.020 0.000 0.747 81 L CB -1.431 40.553 42.059 -0.125 0.000 0.896 81 L HN 0.256 nan 8.230 nan 0.000 0.432 82 G N -0.516 108.246 108.800 -0.063 0.000 2.404 82 G HA2 -0.210 3.757 3.960 0.013 0.000 0.215 82 G HA3 -0.210 3.757 3.960 0.013 0.000 0.215 82 G C 1.784 176.664 174.900 -0.033 0.000 1.174 82 G CA 0.767 45.826 45.100 -0.068 0.000 0.780 82 G HN 0.454 nan 8.290 nan 0.000 0.537 83 A N 0.113 122.929 122.820 -0.007 0.000 1.902 83 A HA 0.065 4.393 4.320 0.013 0.000 0.217 83 A C 2.601 180.203 177.584 0.030 0.000 1.181 83 A CA 1.904 53.953 52.037 0.020 0.000 0.623 83 A CB -0.665 18.373 19.000 0.062 0.000 0.818 83 A HN 0.262 nan 8.150 nan 0.000 0.443 84 V N -0.087 119.854 119.914 0.045 0.000 2.358 84 V HA -0.147 3.980 4.120 0.013 0.000 0.246 84 V C 2.816 178.923 176.094 0.021 0.000 1.047 84 V CA 1.807 64.127 62.300 0.034 0.000 1.035 84 V CB -1.446 30.403 31.823 0.042 0.000 0.658 84 V HN 0.615 nan 8.190 nan 0.000 0.452 85 G N -0.086 108.721 108.800 0.011 0.000 2.440 85 G HA2 -0.218 3.750 3.960 0.013 0.000 0.218 85 G HA3 -0.218 3.750 3.960 0.013 0.000 0.218 85 G C 1.664 176.564 174.900 0.001 0.000 1.154 85 G CA 1.322 46.421 45.100 -0.000 0.000 0.767 85 G HN 0.390 nan 8.290 nan 0.000 0.552 86 V N 0.359 120.272 119.914 -0.002 0.000 2.358 86 V HA -0.153 3.974 4.120 0.013 0.000 0.246 86 V C 3.020 179.125 176.094 0.018 0.000 1.047 86 V CA 1.409 63.711 62.300 0.002 0.000 1.035 86 V CB -0.314 31.509 31.823 -0.000 0.000 0.658 86 V HN 0.250 nan 8.190 nan 0.000 0.452 87 V N 0.038 119.964 119.914 0.020 0.000 2.343 87 V HA -0.278 3.850 4.120 0.013 0.000 0.247 87 V C 2.435 178.549 176.094 0.033 0.000 1.051 87 V CA 2.159 64.473 62.300 0.024 0.000 1.036 87 V CB -0.670 31.164 31.823 0.018 0.000 0.654 87 V HN 0.636 nan 8.190 nan 0.000 0.451 88 E N -0.295 119.923 120.200 0.030 0.000 2.077 88 E HA -0.199 4.159 4.350 0.013 0.000 0.193 88 E C 2.287 178.923 176.600 0.059 0.000 0.989 88 E CA 1.790 58.210 56.400 0.034 0.000 0.800 88 E CB -0.329 29.385 29.700 0.024 0.000 0.746 88 E HN 0.556 nan 8.360 nan 0.000 0.452 89 T N 1.641 116.239 114.554 0.074 0.000 2.746 89 T HA -0.101 4.257 4.350 0.013 0.000 0.267 89 T C 1.961 176.807 174.700 0.243 0.000 1.039 89 T CA 0.761 62.951 62.100 0.150 0.000 1.142 89 T CB -0.157 68.774 68.868 0.105 0.000 0.866 89 T HN 0.081 nan 8.240 nan 0.000 0.444 90 L N 0.387 121.692 121.223 0.137 0.000 2.083 90 L HA -0.105 4.243 4.340 0.013 0.000 0.209 90 L C 2.610 179.574 176.870 0.155 0.000 1.083 90 L CA 1.400 56.322 54.840 0.136 0.000 0.752 90 L CB -0.435 41.658 42.059 0.058 0.000 0.899 90 L HN 0.223 nan 8.230 nan 0.000 0.433 91 K N 0.010 120.469 120.400 0.098 0.000 2.148 91 K HA -0.171 4.157 4.320 0.013 0.000 0.204 91 K C 1.936 178.565 176.600 0.049 0.000 1.050 91 K CA 1.167 57.490 56.287 0.061 0.000 0.942 91 K CB -0.053 32.466 32.500 0.032 0.000 0.724 91 K HN 0.347 nan 8.250 nan 0.000 0.446 92 E N -0.256 119.975 120.200 0.053 0.000 2.204 92 E HA -0.143 4.215 4.350 0.013 0.000 0.195 92 E C 0.809 177.284 176.600 -0.208 0.000 0.990 92 E CA 0.911 57.261 56.400 -0.083 0.000 0.821 92 E CB 0.022 29.651 29.700 -0.119 0.000 0.750 92 E HN 0.251 nan 8.360 nan 0.000 0.477 93 F N 0.091 120.036 119.950 -0.008 0.000 2.645 93 F HA 0.175 4.708 4.527 0.009 0.000 0.300 93 F C 0.561 176.358 175.800 -0.005 0.000 1.115 93 F CA -0.100 57.897 58.000 -0.006 0.000 1.355 93 F CB 0.434 39.430 39.000 -0.007 0.000 1.026 93 F HN -0.279 nan 8.300 nan 0.000 0.536 94 S N 0.917 116.679 115.700 0.103 0.000 3.641 94 S HA -0.210 4.268 4.470 0.013 0.000 0.346 94 S C 0.021 174.663 174.600 0.071 0.000 1.074 94 S CA 0.249 58.487 58.200 0.063 0.000 1.026 94 S CB -2.066 61.157 63.200 0.039 0.000 0.908 94 S HN 0.332 nan 8.310 nan 0.000 0.479 95 I N 1.223 121.845 120.570 0.086 0.000 2.378 95 I HA 0.264 4.442 4.170 0.013 0.000 0.291 95 I C 0.232 176.372 176.117 0.039 0.000 0.992 95 I CA -0.634 60.702 61.300 0.059 0.000 1.154 95 I CB 1.483 39.519 38.000 0.061 0.000 1.315 95 I HN -0.046 nan 8.210 nan 0.000 0.448 96 D N 5.970 126.382 120.400 0.020 0.000 2.608 96 D HA 0.168 4.815 4.640 0.013 0.000 0.224 96 D C 0.426 176.720 176.300 -0.009 0.000 1.123 96 D CA 0.009 54.011 54.000 0.004 0.000 1.030 96 D CB 0.177 40.975 40.800 -0.003 0.000 1.093 96 D HN 0.626 nan 8.370 nan 0.000 0.497 97 G N 2.811 111.611 108.800 -0.000 0.000 2.403 97 G HA2 0.424 4.391 3.960 0.013 0.000 0.259 97 G HA3 0.424 4.391 3.960 0.013 0.000 0.259 97 G C -0.091 174.795 174.900 -0.023 0.000 1.244 97 G CA -0.651 44.444 45.100 -0.008 0.000 0.849 97 G HN 0.242 nan 8.290 nan 0.000 0.532 98 R N 1.698 122.171 120.500 -0.046 0.000 2.686 98 R HA 0.349 4.697 4.340 0.013 0.000 0.283 98 R C -0.471 175.813 176.300 -0.026 0.000 0.978 98 R CA -0.952 55.113 56.100 -0.058 0.000 0.897 98 R CB 2.039 32.257 30.300 -0.137 0.000 1.192 98 R HN 0.481 nan 8.270 nan 0.000 0.457 99 I N 2.162 122.740 120.570 0.012 0.000 2.416 99 I HA 0.158 4.335 4.170 0.013 0.000 0.288 99 I C 0.778 176.974 176.117 0.132 0.000 1.051 99 I CA -0.106 61.231 61.300 0.063 0.000 1.375 99 I CB 0.702 38.745 38.000 0.071 0.000 1.407 99 I HN 0.226 nan 8.210 nan 0.000 0.516 100 K N 7.552 128.054 120.400 0.170 0.000 2.292 100 K HA 0.117 4.445 4.320 0.013 0.000 0.270 100 K C -0.656 176.080 176.600 0.227 0.000 1.062 100 K CA -0.659 55.809 56.287 0.301 0.000 0.916 100 K CB 0.613 33.321 32.500 0.346 0.000 1.166 100 K HN 0.532 nan 8.250 nan 0.000 0.458 101 W N 8.139 129.487 121.300 0.081 0.000 2.484 101 W HA -0.045 4.622 4.660 0.011 0.000 0.337 101 W C -1.900 174.580 176.519 -0.065 0.000 1.214 101 W CA -0.697 56.671 57.345 0.039 0.000 1.296 101 W CB 0.894 30.385 29.460 0.053 0.000 1.174 101 W HN 0.553 nan 8.180 nan 0.000 0.564 102 P HA 0.037 nan 4.420 nan 0.000 0.300 102 P C 0.027 176.999 177.300 -0.547 0.000 1.349 102 P CA 0.431 62.937 63.100 -0.990 0.000 1.054 102 P CB 0.645 31.141 31.700 -2.008 0.000 1.548 103 N N -0.810 117.596 118.700 -0.489 0.000 2.143 103 N HA 0.082 4.829 4.740 0.013 0.000 0.222 103 N C -0.614 174.822 175.510 -0.123 0.000 1.264 103 N CA -0.066 52.803 53.050 -0.302 0.000 0.897 103 N CB 0.234 38.515 38.487 -0.342 0.000 1.092 103 N HN -0.118 nan 8.380 nan 0.000 0.516 104 D N 0.664 121.034 120.400 -0.049 0.000 2.269 104 D HA 0.412 5.060 4.640 0.013 0.000 0.244 104 D C -0.550 175.785 176.300 0.059 0.000 0.992 104 D CA -0.442 53.581 54.000 0.038 0.000 0.894 104 D CB 3.157 44.014 40.800 0.095 0.000 1.248 104 D HN -0.207 nan 8.370 nan 0.000 0.468 105 V N 2.158 122.114 119.914 0.071 0.000 2.487 105 V HA 0.436 4.564 4.120 0.013 0.000 0.298 105 V C -0.022 176.106 176.094 0.057 0.000 1.028 105 V CA -0.683 61.649 62.300 0.053 0.000 0.860 105 V CB 1.556 33.404 31.823 0.042 0.000 0.991 105 V HN 0.307 nan 8.190 nan 0.000 0.427 106 L N 4.592 125.824 121.223 0.015 0.000 2.319 106 L HA 0.810 5.158 4.340 0.013 0.000 0.267 106 L C -0.936 175.906 176.870 -0.047 0.000 1.011 106 L CA -1.094 53.740 54.840 -0.009 0.000 0.818 106 L CB 2.340 44.359 42.059 -0.066 0.000 1.316 106 L HN 0.308 nan 8.230 nan 0.000 0.432 107 V N 1.376 121.275 119.914 -0.026 0.000 2.447 107 V HA 0.305 4.433 4.120 0.013 0.000 0.292 107 V C -0.373 175.716 176.094 -0.008 0.000 1.021 107 V CA -0.671 61.615 62.300 -0.024 0.000 0.850 107 V CB 1.310 33.135 31.823 0.004 0.000 1.005 107 V HN 0.871 nan 8.190 nan 0.000 0.426 108 N N 4.159 122.845 118.700 -0.024 0.000 2.740 108 N HA -0.254 4.493 4.740 0.013 0.000 0.248 108 N C 0.120 175.728 175.510 0.165 0.000 1.062 108 N CA 1.199 54.286 53.050 0.062 0.000 0.704 108 N CB -1.308 37.217 38.487 0.064 0.000 0.968 108 N HN 0.960 nan 8.380 nan 0.000 0.547 109 Y N -3.186 117.089 120.300 -0.042 0.000 4.668 109 Y HA -0.338 4.216 4.550 0.006 0.000 0.234 109 Y C 0.546 176.463 175.900 0.028 0.000 1.056 109 Y CA 1.434 59.511 58.100 -0.038 0.000 2.025 109 Y CB -1.363 37.050 38.460 -0.079 0.000 1.613 109 Y HN 0.242 nan 8.280 nan 0.000 0.653 110 K N 0.873 121.346 120.400 0.121 0.000 2.182 110 K HA 0.367 4.695 4.320 0.013 0.000 0.262 110 K C 0.012 176.666 176.600 0.089 0.000 0.957 110 K CA -1.100 55.249 56.287 0.104 0.000 0.842 110 K CB 1.584 34.129 32.500 0.075 0.000 1.099 110 K HN -0.005 nan 8.250 nan 0.000 0.438 111 K N 3.667 124.130 120.400 0.105 0.000 2.378 111 K HA 0.071 4.398 4.320 0.013 0.000 0.288 111 K C 0.387 177.056 176.600 0.116 0.000 1.057 111 K CA 0.123 56.484 56.287 0.123 0.000 0.971 111 K CB 0.312 32.903 32.500 0.151 0.000 0.975 111 K HN 0.624 nan 8.250 nan 0.000 0.475 112 I N 2.791 123.432 120.570 0.119 0.000 3.854 112 I HA 0.202 4.379 4.170 0.013 0.000 0.312 112 I C -0.301 175.927 176.117 0.184 0.000 1.273 112 I CA 0.092 61.460 61.300 0.114 0.000 1.298 112 I CB 0.554 38.592 38.000 0.062 0.000 1.071 112 I HN 0.685 nan 8.210 nan 0.000 0.428 113 A N -0.476 122.478 122.820 0.222 0.000 2.604 113 A HA 0.732 5.060 4.320 0.013 0.000 0.295 113 A C -0.760 176.961 177.584 0.228 0.000 1.067 113 A CA -0.127 52.068 52.037 0.263 0.000 0.683 113 A CB 0.991 20.066 19.000 0.125 0.000 1.281 113 A HN 0.163 nan 8.150 nan 0.000 0.407 114 G N -0.449 108.402 108.800 0.086 0.000 2.620 114 G HA2 0.641 4.609 3.960 0.013 0.000 0.301 114 G HA3 0.641 4.609 3.960 0.013 0.000 0.301 114 G C -1.509 173.218 174.900 -0.288 0.000 1.347 114 G CA -0.519 44.498 45.100 -0.139 0.000 0.971 114 G HN 1.173 nan 8.290 nan 0.000 0.488 115 V N 1.379 121.159 119.914 -0.223 0.000 2.555 115 V HA 0.702 4.829 4.120 0.013 0.000 0.302 115 V C -0.802 175.164 176.094 -0.214 0.000 1.038 115 V CA -0.832 61.338 62.300 -0.217 0.000 0.887 115 V CB 1.698 33.421 31.823 -0.167 0.000 0.991 115 V HN 0.706 nan 8.190 nan 0.000 0.434 116 L N 5.514 126.610 121.223 -0.213 0.000 2.446 116 L HA 0.693 5.040 4.340 0.013 0.000 0.268 116 L C -0.916 175.875 176.870 -0.131 0.000 0.975 116 L CA -0.043 54.701 54.840 -0.160 0.000 0.848 116 L CB 1.878 43.816 42.059 -0.201 0.000 1.225 116 L HN 0.439 nan 8.230 nan 0.000 0.410 117 V N 4.604 124.460 119.914 -0.097 0.000 2.398 117 V HA 0.565 4.693 4.120 0.013 0.000 0.286 117 V C -0.263 175.794 176.094 -0.062 0.000 1.026 117 V CA -0.510 61.735 62.300 -0.092 0.000 0.868 117 V CB 1.617 33.375 31.823 -0.108 0.000 0.982 117 V HN 0.760 nan 8.190 nan 0.000 0.443 118 E N 2.554 122.721 120.200 -0.055 0.000 2.248 118 E HA 0.712 5.070 4.350 0.013 0.000 0.267 118 E C -0.139 176.440 176.600 -0.035 0.000 0.877 118 E CA -0.554 55.824 56.400 -0.037 0.000 0.759 118 E CB 2.653 32.342 29.700 -0.019 0.000 1.182 118 E HN 0.816 nan 8.360 nan 0.000 0.418 119 G N 1.165 109.949 108.800 -0.028 0.000 2.730 119 G HA2 0.623 4.591 3.960 0.013 0.000 0.289 119 G HA3 0.623 4.591 3.960 0.013 0.000 0.289 119 G C -1.058 173.832 174.900 -0.017 0.000 1.341 119 G CA -0.548 44.540 45.100 -0.019 0.000 0.932 119 G HN 0.242 nan 8.290 nan 0.000 0.481 120 K N -0.407 119.987 120.400 -0.009 0.000 2.675 120 K HA 0.500 4.828 4.320 0.013 0.000 0.274 120 K C 0.313 176.914 176.600 0.002 0.000 1.444 120 K CA 0.897 57.179 56.287 -0.009 0.000 0.925 120 K CB 0.085 32.573 32.500 -0.020 0.000 1.401 120 K HN 2.100 nan 8.250 nan 0.000 0.504 121 G N 2.272 111.078 108.800 0.011 0.000 2.554 121 G HA2 -0.283 3.685 3.960 0.013 0.000 0.253 121 G HA3 -0.283 3.685 3.960 0.013 0.000 0.253 121 G C 0.276 175.193 174.900 0.028 0.000 1.172 121 G CA 0.143 45.255 45.100 0.019 0.000 0.950 121 G HN 0.419 nan 8.290 nan 0.000 0.557 122 D N 1.571 121.991 120.400 0.032 0.000 2.349 122 D HA 0.095 4.742 4.640 0.013 0.000 0.224 122 D C 0.903 177.228 176.300 0.041 0.000 1.029 122 D CA 0.819 54.844 54.000 0.042 0.000 0.879 122 D CB 0.134 40.960 40.800 0.044 0.000 0.906 122 D HN 0.404 nan 8.370 nan 0.000 0.528 123 K N 1.250 121.666 120.400 0.027 0.000 2.358 123 K HA 0.284 4.612 4.320 0.013 0.000 0.260 123 K C -1.144 175.457 176.600 0.002 0.000 0.956 123 K CA -0.565 55.732 56.287 0.016 0.000 0.834 123 K CB 1.478 33.982 32.500 0.006 0.000 1.102 123 K HN -0.224 nan 8.250 nan 0.000 0.431 124 I N 4.488 125.056 120.570 -0.005 0.000 2.433 124 I HA 0.301 4.478 4.170 0.013 0.000 0.292 124 I C -0.390 175.698 176.117 -0.049 0.000 1.001 124 I CA -0.974 60.312 61.300 -0.024 0.000 1.119 124 I CB 1.777 39.766 38.000 -0.018 0.000 1.289 124 I HN 0.306 nan 8.210 nan 0.000 0.438 125 V N 6.761 126.642 119.914 -0.055 0.000 2.357 125 V HA 0.316 4.443 4.120 0.013 0.000 0.284 125 V C -0.263 175.779 176.094 -0.087 0.000 1.018 125 V CA -0.745 61.518 62.300 -0.063 0.000 0.841 125 V CB 2.011 33.806 31.823 -0.047 0.000 0.991 125 V HN 0.452 nan 8.190 nan 0.000 0.437 126 L N 5.821 126.980 121.223 -0.107 0.000 2.264 126 L HA 0.814 5.161 4.340 0.013 0.000 0.287 126 L C 0.502 177.302 176.870 -0.117 0.000 1.039 126 L CA 0.247 55.010 54.840 -0.128 0.000 0.829 126 L CB 0.685 42.649 42.059 -0.158 0.000 1.211 126 L HN 0.644 nan 8.230 nan 0.000 0.427 127 G N 6.045 114.764 108.800 -0.135 0.000 2.356 127 G HA2 0.665 4.633 3.960 0.013 0.000 0.322 127 G HA3 0.665 4.633 3.960 0.013 0.000 0.322 127 G C -0.949 173.847 174.900 -0.174 0.000 1.125 127 G CA -0.465 44.545 45.100 -0.150 0.000 0.885 127 G HN 0.596 nan 8.290 nan 0.000 0.467 128 I N 1.174 121.664 120.570 -0.134 0.000 2.534 128 I HA 0.477 4.654 4.170 0.013 0.000 0.288 128 I C 0.220 176.308 176.117 -0.048 0.000 1.077 128 I CA -0.858 60.369 61.300 -0.122 0.000 1.051 128 I CB 2.701 40.659 38.000 -0.071 0.000 1.234 128 I HN 0.596 nan 8.210 nan 0.000 0.425 129 G N 6.235 114.986 108.800 -0.081 0.000 2.502 129 G HA2 0.639 4.607 3.960 0.013 0.000 0.311 129 G HA3 0.639 4.607 3.960 0.013 0.000 0.311 129 G C -1.629 173.530 174.900 0.433 0.000 1.270 129 G CA -0.352 44.941 45.100 0.321 0.000 0.948 129 G HN 0.376 nan 8.290 nan 0.000 0.487 130 L N 2.341 123.723 121.223 0.266 0.000 2.349 130 L HA 0.520 4.868 4.340 0.013 0.000 0.278 130 L C -0.849 175.998 176.870 -0.038 0.000 0.996 130 L CA -1.079 53.829 54.840 0.113 0.000 0.825 130 L CB 1.642 43.684 42.059 -0.027 0.000 1.243 130 L HN 0.346 nan 8.230 nan 0.000 0.412 131 N N 4.064 122.823 118.700 0.098 0.000 2.442 131 N HA 0.226 4.974 4.740 0.013 0.000 0.265 131 N C 0.344 175.807 175.510 -0.078 0.000 1.138 131 N CA -0.056 53.013 53.050 0.031 0.000 0.956 131 N CB 1.986 40.539 38.487 0.110 0.000 1.067 131 N HN 0.557 nan 8.380 nan 0.000 0.474 132 V N 2.470 122.293 119.914 -0.152 0.000 3.204 132 V HA 0.091 4.219 4.120 0.013 0.000 0.218 132 V C 1.256 177.289 176.094 -0.101 0.000 1.159 132 V CA 0.446 62.651 62.300 -0.158 0.000 1.282 132 V CB -0.019 31.672 31.823 -0.220 0.000 1.225 132 V HN 0.575 nan 8.190 nan 0.000 0.509 133 N N 1.046 119.693 118.700 -0.089 0.000 2.184 133 N HA 0.093 4.840 4.740 0.013 0.000 0.206 133 N C 0.192 175.695 175.510 -0.010 0.000 1.151 133 N CA -0.070 52.953 53.050 -0.045 0.000 0.878 133 N CB 0.050 38.510 38.487 -0.045 0.000 1.014 133 N HN 0.655 nan 8.380 nan 0.000 0.512 134 N N 1.108 119.813 118.700 0.009 0.000 2.424 134 N HA 0.057 4.805 4.740 0.013 0.000 0.257 134 N C -0.120 175.420 175.510 0.050 0.000 1.250 134 N CA 0.087 53.175 53.050 0.063 0.000 0.946 134 N CB 1.389 39.978 38.487 0.170 0.000 1.175 134 N HN -0.137 nan 8.380 nan 0.000 0.477 135 K N -0.144 120.283 120.400 0.045 0.000 2.258 135 K HA 0.273 4.601 4.320 0.013 0.000 0.264 135 K C -0.016 176.592 176.600 0.013 0.000 1.007 135 K CA -0.615 55.684 56.287 0.020 0.000 0.941 135 K CB 0.994 33.499 32.500 0.008 0.000 0.966 135 K HN 0.565 nan 8.250 nan 0.000 0.480 136 V N -0.810 119.099 119.914 -0.009 0.000 3.001 136 V HA 0.597 4.725 4.120 0.013 0.000 0.314 136 V C -2.362 173.696 176.094 -0.060 0.000 1.099 136 V CA -1.974 60.302 62.300 -0.039 0.000 0.989 136 V CB 1.317 33.126 31.823 -0.023 0.000 1.040 136 V HN 0.736 nan 8.190 nan 0.000 0.434 137 P HA 0.222 nan 4.420 nan 0.000 0.276 137 P C -0.357 176.911 177.300 -0.054 0.000 1.252 137 P CA -0.468 62.579 63.100 -0.088 0.000 0.802 137 P CB 0.632 32.251 31.700 -0.134 0.000 1.035 138 N N -0.196 118.483 118.700 -0.035 0.000 2.454 138 N HA 0.066 4.814 4.740 0.013 0.000 0.254 138 N C 1.162 176.669 175.510 -0.005 0.000 1.228 138 N CA 1.479 54.520 53.050 -0.014 0.000 0.900 138 N CB 0.118 38.600 38.487 -0.009 0.000 1.089 138 N HN 0.775 nan 8.380 nan 0.000 0.449 139 G N 0.974 109.782 108.800 0.014 0.000 2.213 139 G HA2 -0.183 3.784 3.960 0.013 0.000 0.236 139 G HA3 -0.183 3.784 3.960 0.013 0.000 0.236 139 G C -0.025 174.901 174.900 0.042 0.000 0.991 139 G CA 0.292 45.414 45.100 0.036 0.000 0.629 139 G HN 0.933 nan 8.290 nan 0.000 0.517 140 A N -1.227 121.602 122.820 0.015 0.000 2.312 140 A HA 0.997 5.325 4.320 0.013 0.000 0.310 140 A C 0.126 177.724 177.584 0.023 0.000 1.139 140 A CA 0.662 52.710 52.037 0.018 0.000 0.886 140 A CB 1.824 20.807 19.000 -0.030 0.000 1.350 140 A HN 1.354 nan 8.150 nan 0.000 0.479 141 T N -1.390 113.183 114.554 0.031 0.000 2.731 141 T HA 0.697 5.055 4.350 0.013 0.000 0.300 141 T C -0.795 173.922 174.700 0.028 0.000 1.283 141 T CA 0.281 62.397 62.100 0.027 0.000 1.005 141 T CB 1.243 70.130 68.868 0.031 0.000 1.420 141 T HN 1.938 nan 8.240 nan 0.000 0.503 142 S N 0.373 116.083 115.700 0.016 0.000 2.651 142 S HA 0.492 4.970 4.470 0.013 0.000 0.279 142 S C 1.175 175.766 174.600 -0.016 0.000 1.148 142 S CA -0.881 57.321 58.200 0.003 0.000 0.837 142 S CB 1.213 64.412 63.200 -0.001 0.000 1.138 142 S HN 0.732 nan 8.310 nan 0.000 0.478 143 M N 1.127 120.698 119.600 -0.048 0.000 2.117 143 M HA -0.060 4.428 4.480 0.013 0.000 0.262 143 M C 2.303 178.577 176.300 -0.043 0.000 1.065 143 M CA 1.799 57.059 55.300 -0.067 0.000 1.114 143 M CB -0.546 31.962 32.600 -0.154 0.000 1.361 143 M HN 0.882 nan 8.290 nan 0.000 0.408 144 K N 1.086 121.459 120.400 -0.043 0.000 2.057 144 K HA -0.143 4.185 4.320 0.013 0.000 0.207 144 K C 1.770 178.366 176.600 -0.007 0.000 1.049 144 K CA 1.266 57.538 56.287 -0.024 0.000 0.931 144 K CB -0.118 32.367 32.500 -0.024 0.000 0.714 144 K HN 0.290 nan 8.250 nan 0.000 0.440 145 L N 0.845 122.065 121.223 -0.005 0.000 2.093 145 L HA -0.149 4.199 4.340 0.013 0.000 0.208 145 L C 2.423 179.297 176.870 0.008 0.000 1.085 145 L CA 0.979 55.821 54.840 0.003 0.000 0.755 145 L CB -0.262 41.800 42.059 0.006 0.000 0.904 145 L HN 0.224 nan 8.230 nan 0.000 0.435 146 E N -0.014 120.191 120.200 0.007 0.000 2.112 146 E HA -0.087 4.270 4.350 0.013 0.000 0.190 146 E C 2.292 178.903 176.600 0.017 0.000 0.979 146 E CA 0.982 57.390 56.400 0.013 0.000 0.814 146 E CB -0.010 29.698 29.700 0.013 0.000 0.762 146 E HN 0.487 nan 8.360 nan 0.000 0.460 147 L N -0.630 120.603 121.223 0.017 0.000 2.375 147 L HA 0.110 4.458 4.340 0.013 0.000 0.215 147 L C 1.495 178.378 176.870 0.021 0.000 1.108 147 L CA 0.639 55.495 54.840 0.027 0.000 0.830 147 L CB -0.089 41.993 42.059 0.038 0.000 0.959 147 L HN 0.265 nan 8.230 nan 0.000 0.457 148 G N 0.420 109.228 108.800 0.014 0.000 2.159 148 G HA2 -0.267 3.701 3.960 0.013 0.000 0.256 148 G HA3 -0.267 3.701 3.960 0.013 0.000 0.256 148 G C 0.195 175.102 174.900 0.012 0.000 0.977 148 G CA 0.315 45.423 45.100 0.012 0.000 0.652 148 G HN 0.488 nan 8.290 nan 0.000 0.531 149 S N -0.905 114.802 115.700 0.013 0.000 2.550 149 S HA 0.661 5.139 4.470 0.013 0.000 0.270 149 S C -0.457 174.147 174.600 0.007 0.000 1.145 149 S CA -0.132 58.075 58.200 0.013 0.000 0.852 149 S CB 2.026 65.239 63.200 0.021 0.000 1.119 149 S HN 1.098 nan 8.310 nan 0.000 0.465 150 E N 0.788 120.990 120.200 0.003 0.000 2.383 150 E HA 0.521 4.878 4.350 0.013 0.000 0.264 150 E C -0.991 175.607 176.600 -0.004 0.000 1.050 150 E CA -0.846 55.549 56.400 -0.009 0.000 0.896 150 E CB 0.763 30.458 29.700 -0.008 0.000 0.982 150 E HN 0.401 nan 8.360 nan 0.000 0.424 151 V N 3.491 123.385 119.914 -0.033 0.000 2.555 151 V HA 0.293 4.421 4.120 0.013 0.000 0.302 151 V C -2.261 173.809 176.094 -0.040 0.000 1.038 151 V CA -2.308 59.973 62.300 -0.033 0.000 0.887 151 V CB 1.561 33.291 31.823 -0.154 0.000 0.991 151 V HN 0.745 nan 8.190 nan 0.000 0.434 152 P HA 0.044 nan 4.420 nan 0.000 0.260 152 P C 0.633 177.923 177.300 -0.016 0.000 1.207 152 P CA -0.041 63.067 63.100 0.014 0.000 0.780 152 P CB 0.547 32.283 31.700 0.060 0.000 0.789 153 L N 5.451 126.646 121.223 -0.047 0.000 2.042 153 L HA -0.179 4.169 4.340 0.013 0.000 0.210 153 L C 1.781 178.647 176.870 -0.006 0.000 1.076 153 L CA 1.859 56.660 54.840 -0.066 0.000 0.749 153 L CB -1.237 40.771 42.059 -0.086 0.000 0.893 153 L HN 0.295 nan 8.230 nan 0.000 0.432 154 L N -1.399 119.827 121.223 0.005 0.000 2.131 154 L HA -0.140 4.208 4.340 0.013 0.000 0.210 154 L C 2.398 179.358 176.870 0.149 0.000 1.092 154 L CA 1.864 56.735 54.840 0.052 0.000 0.759 154 L CB -0.716 41.338 42.059 -0.008 0.000 0.903 154 L HN 0.251 nan 8.230 nan 0.000 0.435 155 S N -1.182 114.596 115.700 0.130 0.000 2.383 155 S HA -0.123 4.355 4.470 0.013 0.000 0.227 155 S C 1.920 176.679 174.600 0.266 0.000 1.026 155 S CA 1.323 59.648 58.200 0.209 0.000 0.981 155 S CB -0.329 63.033 63.200 0.271 0.000 0.818 155 S HN 0.362 nan 8.310 nan 0.000 0.472 156 V N 1.233 121.222 119.914 0.125 0.000 2.358 156 V HA -0.133 3.994 4.120 0.013 0.000 0.246 156 V C 1.840 177.978 176.094 0.074 0.000 1.047 156 V CA 1.671 63.968 62.300 -0.005 0.000 1.035 156 V CB -0.741 30.941 31.823 -0.234 0.000 0.658 156 V HN 0.506 nan 8.190 nan 0.000 0.452 157 F N 1.438 121.370 119.950 -0.030 0.000 2.069 157 F HA -0.197 4.336 4.527 0.011 0.000 0.298 157 F C 2.628 178.436 175.800 0.013 0.000 1.113 157 F CA 1.857 59.845 58.000 -0.020 0.000 1.214 157 F CB -0.278 38.706 39.000 -0.027 0.000 0.978 157 F HN -0.057 nan 8.300 nan 0.000 0.474 158 R N -0.334 120.250 120.500 0.139 0.000 2.083 158 R HA -0.184 4.164 4.340 0.013 0.000 0.237 158 R C 2.627 178.903 176.300 -0.041 0.000 1.137 158 R CA 1.551 57.672 56.100 0.035 0.000 0.951 158 R CB -0.971 29.405 30.300 0.127 0.000 0.851 158 R HN 0.371 nan 8.270 nan 0.000 0.434 159 S N 0.955 116.680 115.700 0.041 0.000 2.353 159 S HA -0.148 4.330 4.470 0.013 0.000 0.222 159 S C 1.932 176.522 174.600 -0.017 0.000 1.035 159 S CA 1.201 59.433 58.200 0.053 0.000 1.025 159 S CB -0.209 63.118 63.200 0.211 0.000 0.902 159 S HN 0.234 nan 8.310 nan 0.000 0.440 160 L N 1.660 122.846 121.223 -0.063 0.000 2.046 160 L HA 0.016 4.364 4.340 0.013 0.000 0.208 160 L C 2.119 178.883 176.870 -0.175 0.000 1.077 160 L CA 1.664 56.438 54.840 -0.109 0.000 0.747 160 L CB -0.713 41.267 42.059 -0.131 0.000 0.896 160 L HN 0.338 nan 8.230 nan 0.000 0.432 161 I N -0.677 119.702 120.570 -0.318 0.000 2.226 161 I HA -0.259 3.919 4.170 0.013 0.000 0.245 161 I C 2.362 178.389 176.117 -0.149 0.000 1.100 161 I CA 1.572 62.687 61.300 -0.309 0.000 1.374 161 I CB -1.766 35.926 38.000 -0.514 0.000 1.057 161 I HN 0.295 nan 8.210 nan 0.000 0.413 162 T N 1.440 115.928 114.554 -0.110 0.000 2.708 162 T HA -0.132 4.226 4.350 0.013 0.000 0.266 162 T C 1.752 176.436 174.700 -0.026 0.000 1.037 162 T CA 1.361 63.432 62.100 -0.047 0.000 1.146 162 T CB -0.183 68.668 68.868 -0.029 0.000 0.865 162 T HN 0.283 nan 8.240 nan 0.000 0.435 163 N N 1.222 119.904 118.700 -0.029 0.000 2.120 163 N HA 0.034 4.782 4.740 0.013 0.000 0.188 163 N C 1.920 177.430 175.510 -0.000 0.000 1.024 163 N CA 0.862 53.907 53.050 -0.008 0.000 0.852 163 N CB -0.505 37.979 38.487 -0.005 0.000 1.003 163 N HN 0.344 nan 8.380 nan 0.000 0.424 164 L N 0.595 121.803 121.223 -0.025 0.000 2.083 164 L HA -0.168 4.180 4.340 0.013 0.000 0.209 164 L C 2.055 178.950 176.870 0.041 0.000 1.083 164 L CA 1.167 55.999 54.840 -0.013 0.000 0.752 164 L CB -0.429 41.590 42.059 -0.068 0.000 0.899 164 L HN 0.087 nan 8.230 nan 0.000 0.433 165 D N 0.036 120.453 120.400 0.029 0.000 2.117 165 D HA -0.230 4.418 4.640 0.013 0.000 0.197 165 D C 2.335 178.701 176.300 0.110 0.000 0.987 165 D CA 1.184 55.234 54.000 0.084 0.000 0.829 165 D CB 0.091 40.918 40.800 0.045 0.000 0.961 165 D HN 0.044 nan 8.370 nan 0.000 0.460 166 R N -0.271 120.268 120.500 0.066 0.000 2.073 166 R HA -0.080 4.268 4.340 0.013 0.000 0.234 166 R C 2.453 178.800 176.300 0.079 0.000 1.134 166 R CA 1.074 57.209 56.100 0.058 0.000 0.952 166 R CB -0.342 29.979 30.300 0.035 0.000 0.850 166 R HN 0.254 nan 8.270 nan 0.000 0.433 167 L N -0.373 120.904 121.223 0.089 0.000 2.046 167 L HA -0.218 4.130 4.340 0.013 0.000 0.208 167 L C 2.444 179.421 176.870 0.180 0.000 1.077 167 L CA 1.307 56.214 54.840 0.111 0.000 0.747 167 L CB -0.602 41.509 42.059 0.086 0.000 0.896 167 L HN 0.282 nan 8.230 nan 0.000 0.432 168 Y N 0.083 120.413 120.300 0.050 0.000 2.200 168 Y HA -0.207 4.351 4.550 0.013 0.000 0.290 168 Y C 2.348 178.334 175.900 0.143 0.000 1.137 168 Y CA 1.238 59.387 58.100 0.081 0.000 1.163 168 Y CB -0.067 38.408 38.460 0.024 0.000 0.988 168 Y HN -0.051 nan 8.280 nan 0.000 0.518 169 L N 0.446 121.676 121.223 0.013 0.000 2.083 169 L HA -0.238 4.110 4.340 0.013 0.000 0.209 169 L C 2.055 178.887 176.870 -0.063 0.000 1.083 169 L CA 2.089 56.882 54.840 -0.079 0.000 0.752 169 L CB -1.517 40.546 42.059 0.005 0.000 0.899 169 L HN 0.349 nan 8.230 nan 0.000 0.433 170 N N -0.102 118.604 118.700 0.011 0.000 2.331 170 N HA -0.215 4.533 4.740 0.013 0.000 0.180 170 N C 1.753 177.277 175.510 0.023 0.000 1.019 170 N CA 0.703 53.761 53.050 0.014 0.000 0.881 170 N CB -0.186 38.325 38.487 0.040 0.000 0.972 170 N HN 0.200 nan 8.380 nan 0.000 0.435 171 F N 0.802 120.698 119.950 -0.090 0.000 2.171 171 F HA 0.027 4.562 4.527 0.014 0.000 0.300 171 F C 1.640 177.362 175.800 -0.131 0.000 1.090 171 F CA 1.052 59.006 58.000 -0.076 0.000 1.293 171 F CB -0.111 38.875 39.000 -0.023 0.000 1.013 171 F HN 0.039 nan 8.300 nan 0.000 0.486 172 L N -0.021 121.090 121.223 -0.186 0.000 2.141 172 L HA -0.187 4.161 4.340 0.013 0.000 0.209 172 L C 2.247 178.982 176.870 -0.225 0.000 1.094 172 L CA 1.430 56.115 54.840 -0.259 0.000 0.763 172 L CB -0.569 41.336 42.059 -0.256 0.000 0.908 172 L HN 0.114 nan 8.230 nan 0.000 0.437 173 K N -0.348 119.951 120.400 -0.169 0.000 2.099 173 K HA 0.064 4.392 4.320 0.013 0.000 0.203 173 K C 0.264 176.779 176.600 -0.143 0.000 1.047 173 K CA 0.633 56.843 56.287 -0.128 0.000 0.963 173 K CB 0.195 32.646 32.500 -0.082 0.000 0.759 173 K HN 0.204 nan 8.250 nan 0.000 0.451 174 N N 1.096 119.705 118.700 -0.152 0.000 2.762 174 N HA 0.159 4.907 4.740 0.013 0.000 0.252 174 N C -2.567 172.827 175.510 -0.195 0.000 1.269 174 N CA -1.124 51.841 53.050 -0.141 0.000 0.799 174 N CB 1.636 40.078 38.487 -0.074 0.000 1.173 174 N HN -0.139 nan 8.380 nan 0.000 0.516 175 P HA -0.047 nan 4.420 nan 0.000 0.221 175 P C 1.365 178.577 177.300 -0.147 0.000 1.145 175 P CA 1.057 63.835 63.100 -0.537 0.000 0.795 175 P CB 0.340 31.681 31.700 -0.599 0.000 0.775 176 M N -1.754 117.789 119.600 -0.096 0.000 2.476 176 M HA 0.004 4.492 4.480 0.013 0.000 0.262 176 M C 1.087 177.394 176.300 0.011 0.000 1.111 176 M CA 1.052 56.332 55.300 -0.033 0.000 1.127 176 M CB -1.269 31.294 32.600 -0.062 0.000 1.376 176 M HN -0.095 nan 8.290 nan 0.000 0.465 177 D N 1.143 121.551 120.400 0.014 0.000 2.149 177 D HA -0.162 4.486 4.640 0.013 0.000 0.198 177 D C 1.866 178.201 176.300 0.058 0.000 0.990 177 D CA 0.973 54.991 54.000 0.029 0.000 0.839 177 D CB -0.254 40.563 40.800 0.027 0.000 0.948 177 D HN 0.258 nan 8.370 nan 0.000 0.460 178 I N 0.550 121.195 120.570 0.125 0.000 2.264 178 I HA -0.218 3.960 4.170 0.013 0.000 0.248 178 I C 1.961 178.101 176.117 0.039 0.000 1.111 178 I CA 1.045 62.425 61.300 0.132 0.000 1.382 178 I CB -0.159 37.998 38.000 0.261 0.000 1.060 178 I HN 0.002 nan 8.210 nan 0.000 0.418 179 L N 0.280 121.517 121.223 0.023 0.000 2.079 179 L HA -0.239 4.108 4.340 0.013 0.000 0.210 179 L C 2.265 179.090 176.870 -0.076 0.000 1.081 179 L CA 1.307 56.103 54.840 -0.074 0.000 0.752 179 L CB -1.010 41.033 42.059 -0.027 0.000 0.896 179 L HN 0.335 nan 8.230 nan 0.000 0.433 180 N N 0.254 118.936 118.700 -0.031 0.000 2.120 180 N HA -0.130 4.618 4.740 0.013 0.000 0.188 180 N C 1.961 177.453 175.510 -0.030 0.000 1.024 180 N CA 1.233 54.267 53.050 -0.027 0.000 0.852 180 N CB -0.244 38.236 38.487 -0.012 0.000 1.003 180 N HN 0.345 nan 8.380 nan 0.000 0.424 181 L N 0.554 121.764 121.223 -0.021 0.000 2.093 181 L HA -0.080 4.267 4.340 0.013 0.000 0.208 181 L C 2.275 179.122 176.870 -0.038 0.000 1.085 181 L CA 0.656 55.486 54.840 -0.016 0.000 0.755 181 L CB -0.462 41.601 42.059 0.007 0.000 0.904 181 L HN -0.046 nan 8.230 nan 0.000 0.435 182 V N -0.091 119.770 119.914 -0.088 0.000 2.307 182 V HA -0.236 3.892 4.120 0.013 0.000 0.245 182 V C 2.640 178.678 176.094 -0.092 0.000 1.045 182 V CA 1.601 63.817 62.300 -0.139 0.000 1.024 182 V CB -0.593 30.997 31.823 -0.389 0.000 0.651 182 V HN 0.408 nan 8.190 nan 0.000 0.449 183 R N 0.286 120.734 120.500 -0.088 0.000 2.091 183 R HA -0.174 4.174 4.340 0.013 0.000 0.238 183 R C 1.919 178.204 176.300 -0.024 0.000 1.136 183 R CA 1.783 57.855 56.100 -0.048 0.000 0.959 183 R CB -0.509 29.767 30.300 -0.040 0.000 0.856 183 R HN 0.560 nan 8.270 nan 0.000 0.437 184 D N -0.094 120.292 120.400 -0.023 0.000 2.348 184 D HA -0.054 4.594 4.640 0.013 0.000 0.216 184 D C 0.691 176.985 176.300 -0.010 0.000 0.970 184 D CA 0.824 54.816 54.000 -0.013 0.000 0.889 184 D CB -0.034 40.760 40.800 -0.011 0.000 0.912 184 D HN 0.214 nan 8.370 nan 0.000 0.524 185 N N 0.170 118.863 118.700 -0.012 0.000 2.238 185 N HA 0.108 4.855 4.740 0.013 0.000 0.235 185 N C 0.127 175.636 175.510 -0.001 0.000 1.209 185 N CA -0.014 53.031 53.050 -0.007 0.000 0.879 185 N CB 1.134 39.618 38.487 -0.004 0.000 1.136 185 N HN 0.321 nan 8.380 nan 0.000 0.517 186 M N -0.988 118.616 119.600 0.007 0.000 2.578 186 M HA 0.551 5.039 4.480 0.013 0.000 0.321 186 M C -0.591 175.733 176.300 0.039 0.000 1.182 186 M CA -0.635 54.688 55.300 0.039 0.000 0.965 186 M CB 1.576 34.215 32.600 0.065 0.000 1.694 186 M HN -0.253 nan 8.290 nan 0.000 0.461 187 I N 3.698 124.307 120.570 0.064 0.000 2.436 187 I HA 0.248 4.426 4.170 0.013 0.000 0.289 187 I C -0.578 175.624 176.117 0.141 0.000 1.083 187 I CA 0.027 61.355 61.300 0.046 0.000 1.372 187 I CB -0.013 37.962 38.000 -0.043 0.000 1.408 187 I HN 0.625 nan 8.210 nan 0.000 0.516 188 L N 4.308 125.588 121.223 0.094 0.000 2.322 188 L HA 0.636 4.984 4.340 0.013 0.000 0.252 188 L C 1.027 177.950 176.870 0.089 0.000 1.055 188 L CA -0.792 54.108 54.840 0.100 0.000 0.849 188 L CB 1.733 43.826 42.059 0.056 0.000 1.446 188 L HN 0.724 nan 8.230 nan 0.000 0.416 189 G N 0.513 109.361 108.800 0.079 0.000 2.155 189 G HA2 -0.191 3.777 3.960 0.013 0.000 0.257 189 G HA3 -0.191 3.777 3.960 0.013 0.000 0.257 189 G C -0.241 174.709 174.900 0.085 0.000 0.983 189 G CA 0.320 45.460 45.100 0.067 0.000 0.676 189 G HN 0.740 nan 8.290 nan 0.000 0.528 190 V N -3.527 116.465 119.914 0.130 0.000 3.046 190 V HA 0.855 4.982 4.120 0.013 0.000 0.316 190 V C 0.517 176.714 176.094 0.172 0.000 1.104 190 V CA -1.454 60.937 62.300 0.151 0.000 1.006 190 V CB 1.776 33.716 31.823 0.195 0.000 1.058 190 V HN 0.429 nan 8.190 nan 0.000 0.440 191 R N 1.068 121.657 120.500 0.147 0.000 2.438 191 R HA 0.682 5.030 4.340 0.013 0.000 0.287 191 R C -0.580 175.815 176.300 0.157 0.000 1.077 191 R CA 0.069 56.243 56.100 0.123 0.000 1.034 191 R CB 1.312 31.663 30.300 0.085 0.000 0.993 191 R HN 1.097 nan 8.270 nan 0.000 0.459 192 V N 0.085 120.050 119.914 0.085 0.000 3.130 192 V HA 0.596 4.724 4.120 0.013 0.000 0.310 192 V C -1.261 174.798 176.094 -0.058 0.000 1.158 192 V CA -1.098 61.200 62.300 -0.003 0.000 1.029 192 V CB 1.992 33.758 31.823 -0.096 0.000 1.057 192 V HN 0.778 nan 8.190 nan 0.000 0.436 193 K N 2.284 122.612 120.400 -0.121 0.000 2.323 193 K HA 0.636 4.963 4.320 0.013 0.000 0.259 193 K C -1.486 174.959 176.600 -0.258 0.000 0.947 193 K CA -0.828 55.361 56.287 -0.164 0.000 0.819 193 K CB 1.686 34.126 32.500 -0.100 0.000 1.109 193 K HN 0.724 nan 8.250 nan 0.000 0.429 194 I N 6.082 126.366 120.570 -0.477 0.000 2.321 194 I HA 0.270 4.448 4.170 0.013 0.000 0.291 194 I C -0.244 175.649 176.117 -0.373 0.000 0.998 194 I CA -0.672 60.328 61.300 -0.501 0.000 1.227 194 I CB 1.020 38.454 38.000 -0.942 0.000 1.368 194 I HN 0.571 nan 8.210 nan 0.000 0.466 195 L N 6.201 127.322 121.223 -0.170 0.000 2.296 195 L HA 0.789 5.137 4.340 0.013 0.000 0.286 195 L C 0.613 177.460 176.870 -0.038 0.000 1.023 195 L CA -0.088 54.696 54.840 -0.092 0.000 0.812 195 L CB 1.749 43.777 42.059 -0.051 0.000 1.223 195 L HN 0.824 nan 8.230 nan 0.000 0.421 196 G N 1.630 110.418 108.800 -0.020 0.000 2.795 196 G HA2 0.057 4.025 3.960 0.013 0.000 0.127 196 G HA3 0.057 4.025 3.960 0.013 0.000 0.127 196 G C -1.228 173.683 174.900 0.019 0.000 1.203 196 G CA -0.419 44.687 45.100 0.011 0.000 1.145 196 G HN 0.370 nan 8.290 nan 0.000 0.580 197 D N 2.108 122.531 120.400 0.037 0.000 2.455 197 D HA 0.478 5.126 4.640 0.013 0.000 0.234 197 D C 1.007 177.339 176.300 0.053 0.000 1.224 197 D CA 1.803 55.825 54.000 0.037 0.000 0.999 197 D CB 0.045 40.867 40.800 0.038 0.000 1.072 197 D HN 1.075 nan 8.370 nan 0.000 0.514 198 G N 1.694 110.518 108.800 0.040 0.000 2.482 198 G HA2 -0.034 3.933 3.960 0.013 0.000 0.214 198 G HA3 -0.034 3.933 3.960 0.013 0.000 0.214 198 G C -0.562 174.363 174.900 0.041 0.000 1.271 198 G CA -0.173 44.958 45.100 0.051 0.000 0.944 198 G HN 0.982 nan 8.290 nan 0.000 0.568 199 S N -1.399 114.343 115.700 0.070 0.000 2.597 199 S HA 0.875 5.353 4.470 0.013 0.000 0.274 199 S C -0.946 173.719 174.600 0.109 0.000 1.132 199 S CA 0.187 58.382 58.200 -0.009 0.000 0.835 199 S CB 1.752 64.921 63.200 -0.052 0.000 1.092 199 S HN 2.456 nan 8.310 nan 0.000 0.457 200 F N -1.114 118.841 119.950 0.008 0.000 2.693 200 F HA 0.906 5.442 4.527 0.014 0.000 0.309 200 F C -1.106 174.695 175.800 0.001 0.000 1.129 200 F CA -0.903 57.099 58.000 0.003 0.000 0.948 200 F CB 0.935 39.935 39.000 -0.000 0.000 1.315 200 F HN 0.728 nan 8.300 nan 0.000 0.447 201 E N 0.333 120.681 120.200 0.246 0.000 2.299 201 E HA 0.804 5.162 4.350 0.013 0.000 0.265 201 E C -0.546 176.177 176.600 0.205 0.000 0.911 201 E CA -1.349 55.133 56.400 0.136 0.000 0.789 201 E CB 2.617 32.358 29.700 0.068 0.000 1.246 201 E HN 1.135 nan 8.360 nan 0.000 0.427 202 G N 0.562 109.445 108.800 0.139 0.000 2.320 202 G HA2 0.261 4.229 3.960 0.013 0.000 0.296 202 G HA3 0.261 4.229 3.960 0.013 0.000 0.296 202 G C -1.595 173.357 174.900 0.088 0.000 1.306 202 G CA -0.874 44.297 45.100 0.118 0.000 0.836 202 G HN 0.271 nan 8.290 nan 0.000 0.517 203 I N 1.522 122.134 120.570 0.070 0.000 2.371 203 I HA 0.488 4.665 4.170 0.013 0.000 0.290 203 I C 1.089 177.239 176.117 0.054 0.000 1.028 203 I CA -0.622 60.717 61.300 0.065 0.000 1.345 203 I CB 0.939 38.970 38.000 0.051 0.000 1.407 203 I HN 0.705 nan 8.210 nan 0.000 0.501 204 A N 6.873 129.732 122.820 0.064 0.000 2.410 204 A HA 0.222 4.550 4.320 0.013 0.000 0.292 204 A C 1.112 178.712 177.584 0.027 0.000 1.232 204 A CA -0.291 51.764 52.037 0.030 0.000 0.893 204 A CB -0.040 18.999 19.000 0.065 0.000 1.131 204 A HN 0.722 nan 8.150 nan 0.000 0.530 205 E N 1.185 121.385 120.200 -0.001 0.000 2.086 205 E HA 0.052 4.410 4.350 0.013 0.000 0.190 205 E C 0.159 176.754 176.600 -0.007 0.000 0.975 205 E CA 1.190 57.591 56.400 0.001 0.000 0.813 205 E CB 0.180 29.877 29.700 -0.004 0.000 0.768 205 E HN 0.894 nan 8.360 nan 0.000 0.457 206 D N -1.536 118.845 120.400 -0.032 0.000 2.918 206 D HA 0.165 4.813 4.640 0.013 0.000 0.342 206 D C -1.568 174.693 176.300 -0.066 0.000 1.403 206 D CA -0.568 53.413 54.000 -0.033 0.000 0.776 206 D CB 0.349 41.140 40.800 -0.015 0.000 1.365 206 D HN -0.036 nan 8.370 nan 0.000 0.468 207 I N -0.679 119.866 120.570 -0.042 0.000 2.530 207 I HA 0.689 4.867 4.170 0.013 0.000 0.297 207 I C -0.348 175.785 176.117 0.027 0.000 1.011 207 I CA -0.874 60.413 61.300 -0.022 0.000 1.107 207 I CB 1.725 39.728 38.000 0.004 0.000 1.285 207 I HN 0.345 nan 8.210 nan 0.000 0.436 208 D N 3.281 123.729 120.400 0.080 0.000 2.469 208 D HA 0.052 4.699 4.640 0.013 0.000 0.278 208 D C 0.701 177.088 176.300 0.145 0.000 1.231 208 D CA -0.248 53.820 54.000 0.113 0.000 1.075 208 D CB 0.250 41.138 40.800 0.146 0.000 1.121 208 D HN 0.722 nan 8.370 nan 0.000 0.571 209 D N -1.133 119.363 120.400 0.160 0.000 2.378 209 D HA -0.152 4.496 4.640 0.013 0.000 0.222 209 D C 1.016 177.281 176.300 -0.058 0.000 0.980 209 D CA 0.519 54.549 54.000 0.050 0.000 0.907 209 D CB -0.416 40.389 40.800 0.009 0.000 0.899 209 D HN 0.299 nan 8.370 nan 0.000 0.527 210 F N -0.078 119.949 119.950 0.128 0.000 2.678 210 F HA 0.352 4.886 4.527 0.012 0.000 0.305 210 F C 2.040 178.007 175.800 0.278 0.000 1.090 210 F CA 0.314 58.419 58.000 0.175 0.000 1.272 210 F CB 0.913 40.002 39.000 0.148 0.000 1.060 210 F HN 0.169 nan 8.300 nan 0.000 0.576 211 G N 0.869 109.919 108.800 0.417 0.000 2.175 211 G HA2 -0.279 3.689 3.960 0.013 0.000 0.244 211 G HA3 -0.279 3.689 3.960 0.013 0.000 0.244 211 G C 0.459 175.742 174.900 0.639 0.000 0.982 211 G CA -0.515 44.915 45.100 0.550 0.000 0.641 211 G HN 0.275 nan 8.290 nan 0.000 0.527 212 R N -0.364 120.401 120.500 0.443 0.000 2.543 212 R HA 0.444 4.792 4.340 0.013 0.000 0.277 212 R C 0.327 176.632 176.300 0.009 0.000 1.074 212 R CA -0.584 55.708 56.100 0.320 0.000 1.076 212 R CB 0.801 31.225 30.300 0.206 0.000 0.993 212 R HN 0.229 nan 8.270 nan 0.000 0.459 213 L N 4.364 125.311 121.223 -0.461 0.000 2.367 213 L HA 0.199 4.547 4.340 0.013 0.000 0.275 213 L C -0.577 176.086 176.870 -0.345 0.000 1.129 213 L CA 0.180 54.553 54.840 -0.779 0.000 0.839 213 L CB 0.656 41.721 42.059 -1.656 0.000 1.133 213 L HN 0.423 nan 8.230 nan 0.000 0.453 214 I N 6.851 127.296 120.570 -0.208 0.000 2.304 214 I HA 0.290 4.467 4.170 0.013 0.000 0.291 214 I C -0.156 175.918 176.117 -0.072 0.000 1.018 214 I CA -0.371 60.870 61.300 -0.099 0.000 1.260 214 I CB 0.851 38.819 38.000 -0.053 0.000 1.390 214 I HN 0.396 nan 8.210 nan 0.000 0.475 215 I N 6.398 126.951 120.570 -0.029 0.000 2.404 215 I HA 0.376 4.554 4.170 0.013 0.000 0.293 215 I C 0.391 176.515 176.117 0.013 0.000 0.992 215 I CA -0.700 60.617 61.300 0.029 0.000 1.149 215 I CB 1.760 39.864 38.000 0.172 0.000 1.315 215 I HN 0.518 nan 8.210 nan 0.000 0.446 216 R N 5.967 126.480 120.500 0.020 0.000 2.215 216 R HA 0.517 4.865 4.340 0.013 0.000 0.336 216 R C -1.168 175.146 176.300 0.022 0.000 0.996 216 R CA -0.683 55.421 56.100 0.005 0.000 0.847 216 R CB 0.772 31.076 30.300 0.007 0.000 1.127 216 R HN 0.377 nan 8.270 nan 0.000 0.465 217 L N 3.295 124.518 121.223 0.001 0.000 2.453 217 L HA 0.088 4.436 4.340 0.013 0.000 0.261 217 L C 1.337 178.215 176.870 0.014 0.000 1.179 217 L CA 0.300 55.151 54.840 0.018 0.000 0.813 217 L CB 0.806 42.852 42.059 -0.023 0.000 1.110 217 L HN 0.640 nan 8.230 nan 0.000 0.466 218 D N -0.268 120.147 120.400 0.025 0.000 2.158 218 D HA -0.181 4.467 4.640 0.013 0.000 0.197 218 D C 1.987 178.291 176.300 0.007 0.000 0.995 218 D CA 1.743 55.754 54.000 0.019 0.000 0.846 218 D CB -0.031 40.783 40.800 0.023 0.000 0.941 218 D HN 0.699 nan 8.370 nan 0.000 0.456 219 S N -1.096 114.604 115.700 -0.001 0.000 2.507 219 S HA 0.100 4.578 4.470 0.013 0.000 0.235 219 S C 1.817 176.409 174.600 -0.012 0.000 0.988 219 S CA 1.115 59.310 58.200 -0.008 0.000 0.944 219 S CB 0.120 63.311 63.200 -0.015 0.000 0.762 219 S HN 0.384 nan 8.310 nan 0.000 0.526 220 G N 0.858 109.650 108.800 -0.013 0.000 2.213 220 G HA2 -0.291 3.676 3.960 0.013 0.000 0.236 220 G HA3 -0.291 3.676 3.960 0.013 0.000 0.236 220 G C -0.126 174.757 174.900 -0.028 0.000 0.991 220 G CA 0.132 45.222 45.100 -0.016 0.000 0.629 220 G HN 0.794 nan 8.290 nan 0.000 0.517 221 E N 0.673 120.848 120.200 -0.042 0.000 2.413 221 E HA 0.371 4.729 4.350 0.013 0.000 0.263 221 E C -0.071 176.482 176.600 -0.078 0.000 1.015 221 E CA -0.114 56.247 56.400 -0.066 0.000 0.916 221 E CB 0.661 30.307 29.700 -0.090 0.000 0.947 221 E HN 0.210 nan 8.360 nan 0.000 0.440 222 V N 5.424 125.290 119.914 -0.080 0.000 2.398 222 V HA 0.332 4.460 4.120 0.013 0.000 0.286 222 V C 0.033 176.057 176.094 -0.116 0.000 1.026 222 V CA -0.589 61.664 62.300 -0.079 0.000 0.868 222 V CB 1.536 33.330 31.823 -0.049 0.000 0.982 222 V HN 0.634 nan 8.190 nan 0.000 0.443 223 K N 3.682 123.998 120.400 -0.141 0.000 2.259 223 K HA 0.605 4.933 4.320 0.013 0.000 0.252 223 K C -0.973 175.583 176.600 -0.074 0.000 0.936 223 K CA -0.912 55.270 56.287 -0.175 0.000 0.810 223 K CB 2.630 34.873 32.500 -0.429 0.000 1.143 223 K HN 0.548 nan 8.250 nan 0.000 0.427 224 K N 2.042 122.416 120.400 -0.045 0.000 2.339 224 K HA 0.310 4.637 4.320 0.013 0.000 0.264 224 K C -0.668 175.954 176.600 0.036 0.000 0.986 224 K CA -0.696 55.584 56.287 -0.013 0.000 0.866 224 K CB 1.745 34.240 32.500 -0.008 0.000 1.103 224 K HN 0.191 nan 8.250 nan 0.000 0.441 225 V N 5.110 125.036 119.914 0.020 0.000 2.432 225 V HA 0.324 4.452 4.120 0.013 0.000 0.275 225 V C 0.291 176.545 176.094 0.267 0.000 1.043 225 V CA -0.705 61.662 62.300 0.110 0.000 0.925 225 V CB 0.783 32.605 31.823 -0.002 0.000 0.985 225 V HN 0.653 nan 8.190 nan 0.000 0.466 226 I N 4.189 124.958 120.570 0.332 0.000 2.428 226 I HA 0.281 4.458 4.170 0.013 0.000 0.296 226 I C -0.531 175.887 176.117 0.502 0.000 0.985 226 I CA -0.749 60.786 61.300 0.393 0.000 1.260 226 I CB 1.267 39.396 38.000 0.215 0.000 1.389 226 I HN 0.571 nan 8.210 nan 0.000 0.484 227 Y N 5.360 125.841 120.300 0.303 0.000 2.539 227 Y HA 0.420 4.979 4.550 0.014 0.000 0.352 227 Y C 0.437 176.344 175.900 0.011 0.000 1.004 227 Y CA -0.309 57.821 58.100 0.050 0.000 1.278 227 Y CB 0.451 38.745 38.460 -0.277 0.000 1.136 227 Y HN 0.638 nan 8.280 nan 0.000 0.528 228 G N 3.467 112.098 108.800 -0.282 0.000 2.673 228 G HA2 0.019 3.987 3.960 0.013 0.000 0.185 228 G HA3 0.019 3.987 3.960 0.013 0.000 0.185 228 G C -0.798 173.863 174.900 -0.399 0.000 1.731 228 G CA -0.091 44.827 45.100 -0.304 0.000 0.788 228 G HN 0.401 nan 8.290 nan 0.000 0.793 229 D N 0.947 121.235 120.400 -0.187 0.000 3.010 229 D HA 0.377 5.024 4.640 0.013 0.000 0.347 229 D C -0.133 176.139 176.300 -0.046 0.000 1.340 229 D CA -0.397 53.519 54.000 -0.141 0.000 0.858 229 D CB 0.444 41.190 40.800 -0.090 0.000 1.111 229 D HN 0.324 nan 8.370 nan 0.000 0.482 230 V N -0.441 119.475 119.914 0.003 0.000 2.495 230 V HA 0.812 4.940 4.120 0.013 0.000 0.298 230 V C 0.055 176.241 176.094 0.154 0.000 1.031 230 V CA -0.954 61.406 62.300 0.100 0.000 0.871 230 V CB 1.409 33.351 31.823 0.198 0.000 0.988 230 V HN 0.246 nan 8.190 nan 0.000 0.432 231 S N 5.123 120.878 115.700 0.092 0.000 2.475 231 S HA 0.779 5.257 4.470 0.013 0.000 0.298 231 S C -0.638 173.991 174.600 0.048 0.000 1.119 231 S CA -0.697 57.556 58.200 0.088 0.000 1.085 231 S CB 1.801 65.029 63.200 0.046 0.000 1.028 231 S HN 1.093 nan 8.310 nan 0.000 0.489 232 L N 2.972 124.223 121.223 0.048 0.000 2.295 232 L HA 0.661 5.009 4.340 0.013 0.000 0.285 232 L C -0.697 176.073 176.870 -0.168 0.000 1.035 232 L CA -0.640 54.163 54.840 -0.063 0.000 0.806 232 L CB 0.814 42.861 42.059 -0.020 0.000 1.214 232 L HN 0.644 nan 8.230 nan 0.000 0.426 233 R N 4.445 124.817 120.500 -0.214 0.000 2.561 233 R HA 0.416 4.764 4.340 0.013 0.000 0.297 233 R C -1.380 174.796 176.300 -0.207 0.000 0.969 233 R CA -0.579 55.425 56.100 -0.159 0.000 0.879 233 R CB 1.722 31.989 30.300 -0.054 0.000 1.178 233 R HN 0.421 nan 8.270 nan 0.000 0.445 234 F N 2.452 122.454 119.950 0.087 0.000 2.396 234 F HA 0.377 4.914 4.527 0.016 0.000 0.343 234 F C 1.123 176.929 175.800 0.010 0.000 1.104 234 F CA -0.340 57.706 58.000 0.076 0.000 1.161 234 F CB 0.662 39.748 39.000 0.143 0.000 1.146 234 F HN 0.151 nan 8.300 nan 0.000 0.522 235 L N 0.000 121.337 121.223 0.189 0.000 2.949 235 L HA 0.000 4.348 4.340 0.013 0.000 0.249 235 L CA 0.000 54.889 54.840 0.082 0.000 0.813 235 L CB 0.000 42.096 42.059 0.061 0.000 0.961 235 L HN 0.000 nan 8.230 nan 0.000 0.502