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 1iow_1_A DATA FIRST_RESID 1 DATA SEQUENCE MTDKIAVLLG GTSAEREVSL NSGAAVLAGL REGGIDAYPV DPKEVDVTQL DATA SEQUENCE KSMGFQKVFI ALHGRGGEDG TLQGMLELMG LPYTGSGVMA SALSMDKLRS DATA SEQUENCE KLLWQGAGLP VAPWVALTRA EFEKGLSDKQ LAEISALGLP VIVKPSREGS DATA SEQUENCE SVGMSKVVAE NALQDALRLA FQHDEEVLIE KWLSGPEFTV AILGEEILPS DATA SEQUENCE IRIQPSGTFY DYEAKFLSDE TQYFCPAGLE ASQEANLQAL VLKAWTTLGC DATA SEQUENCE KGWGRIDVML DSDGQFYLLE ANTSPGMTSH SLVPMAARQA GMSFSQLVVR DATA SEQUENCE ILELAD 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 0.000 176.318 176.300 0.030 0.000 1.140 1 M CA 0.000 55.314 55.300 0.024 0.000 0.988 1 M CB 0.000 32.612 32.600 0.021 0.000 1.302 2 T N 3.447 118.011 114.554 0.016 0.000 2.939 2 T HA 0.285 4.635 4.350 -0.000 0.000 0.312 2 T C -0.256 174.460 174.700 0.027 0.000 1.064 2 T CA 1.573 63.679 62.100 0.010 0.000 1.136 2 T CB -0.108 68.759 68.868 -0.001 0.000 1.035 2 T HN 0.762 nan 8.240 nan 0.000 0.538 3 D N 1.422 121.839 120.400 0.028 0.000 2.705 3 D HA -0.110 4.530 4.640 -0.000 0.000 0.101 3 D C -0.781 175.581 176.300 0.103 0.000 0.911 3 D CA -0.344 53.690 54.000 0.056 0.000 1.048 3 D CB -0.294 40.541 40.800 0.058 0.000 0.658 3 D HN 0.553 nan 8.370 nan 0.000 0.487 4 K N 2.262 122.708 120.400 0.077 0.000 2.227 4 K HA 0.494 4.813 4.320 -0.000 0.000 0.280 4 K C 0.430 177.250 176.600 0.367 0.000 1.041 4 K CA -0.611 55.769 56.287 0.154 0.000 0.905 4 K CB 1.606 33.932 32.500 -0.291 0.000 1.068 4 K HN 0.155 nan 8.250 nan 0.000 0.470 5 I N 2.475 123.317 120.570 0.454 0.000 2.354 5 I HA 0.279 4.449 4.170 -0.000 0.000 0.292 5 I C 0.195 176.499 176.117 0.311 0.000 0.989 5 I CA -0.902 60.607 61.300 0.349 0.000 1.188 5 I CB 1.197 39.342 38.000 0.241 0.000 1.342 5 I HN 0.652 nan 8.210 nan 0.000 0.457 6 A N 6.671 129.442 122.820 -0.083 0.000 2.301 6 A HA 0.644 4.964 4.320 -0.000 0.000 0.298 6 A C -0.377 177.125 177.584 -0.135 0.000 1.185 6 A CA -0.436 51.283 52.037 -0.530 0.000 0.830 6 A CB 0.753 19.032 19.000 -1.201 0.000 1.112 6 A HN 0.450 nan 8.150 nan 0.000 0.508 7 V N 4.916 124.789 119.914 -0.069 0.000 2.293 7 V HA 0.177 4.297 4.120 -0.000 0.000 0.275 7 V C -0.232 175.846 176.094 -0.028 0.000 1.021 7 V CA -0.520 61.775 62.300 -0.007 0.000 0.815 7 V CB 0.935 32.725 31.823 -0.055 0.000 1.025 7 V HN 0.728 nan 8.190 nan 0.000 0.448 8 L N 7.064 128.286 121.223 -0.003 0.000 2.369 8 L HA 0.479 4.819 4.340 -0.000 0.000 0.279 8 L C -0.129 176.730 176.870 -0.018 0.000 1.108 8 L CA 0.601 55.427 54.840 -0.024 0.000 0.852 8 L CB 0.660 42.704 42.059 -0.026 0.000 1.169 8 L HN 0.647 nan 8.230 nan 0.000 0.452 9 L N 1.026 122.229 121.223 -0.033 0.000 2.341 9 L HA 1.000 5.340 4.340 -0.000 0.000 0.254 9 L C 0.559 177.404 176.870 -0.041 0.000 1.040 9 L CA -0.180 54.632 54.840 -0.046 0.000 0.837 9 L CB 2.129 44.167 42.059 -0.034 0.000 1.425 9 L HN 0.608 nan 8.230 nan 0.000 0.414 10 G N 0.320 109.093 108.800 -0.045 0.000 3.031 10 G HA2 0.205 4.165 3.960 -0.000 0.000 0.289 10 G HA3 0.205 4.165 3.960 -0.000 0.000 0.289 10 G C 0.883 175.768 174.900 -0.025 0.000 1.393 10 G CA 0.514 45.599 45.100 -0.026 0.000 1.010 10 G HN 2.758 nan 8.290 nan 0.000 0.579 11 G N -2.397 106.392 108.800 -0.019 0.000 2.584 11 G HA2 0.298 4.258 3.960 -0.000 0.000 0.229 11 G HA3 0.298 4.258 3.960 -0.000 0.000 0.229 11 G C 0.967 175.865 174.900 -0.004 0.000 1.320 11 G CA 2.113 47.205 45.100 -0.014 0.000 0.891 11 G HN 2.575 nan 8.290 nan 0.000 0.573 12 T N -2.644 111.911 114.554 0.001 0.000 3.058 12 T HA 0.590 4.940 4.350 -0.000 0.000 0.278 12 T C 1.324 176.033 174.700 0.016 0.000 0.974 12 T CA 1.241 63.345 62.100 0.007 0.000 0.893 12 T CB -0.168 68.702 68.868 0.004 0.000 1.138 12 T HN 2.039 nan 8.240 nan 0.000 0.529 13 S N 1.283 116.997 115.700 0.024 0.000 2.617 13 S HA 0.598 5.068 4.470 -0.000 0.000 0.255 13 S C 1.784 176.414 174.600 0.049 0.000 1.318 13 S CA -0.167 58.057 58.200 0.040 0.000 0.978 13 S CB 0.345 63.575 63.200 0.050 0.000 0.961 13 S HN 0.486 nan 8.310 nan 0.000 0.582 14 A N -0.419 122.443 122.820 0.070 0.000 2.209 14 A HA 0.065 4.385 4.320 -0.000 0.000 0.212 14 A C 1.583 179.210 177.584 0.071 0.000 1.158 14 A CA 0.786 52.868 52.037 0.074 0.000 0.742 14 A CB -0.708 18.366 19.000 0.123 0.000 0.790 14 A HN 0.874 nan 8.150 nan 0.000 0.472 15 E N -0.830 119.419 120.200 0.082 0.000 2.465 15 E HA 0.062 4.412 4.350 -0.000 0.000 0.195 15 E C 1.628 178.272 176.600 0.074 0.000 1.028 15 E CA -0.392 56.064 56.400 0.093 0.000 0.899 15 E CB 0.080 29.858 29.700 0.130 0.000 1.032 15 E HN 0.586 nan 8.360 nan 0.000 0.468 16 R N 1.691 122.219 120.500 0.048 0.000 2.136 16 R HA -0.234 4.106 4.340 -0.000 0.000 0.242 16 R C 1.735 178.043 176.300 0.013 0.000 1.131 16 R CA 1.618 57.734 56.100 0.025 0.000 0.937 16 R CB 0.056 30.365 30.300 0.015 0.000 0.863 16 R HN 0.078 nan 8.270 nan 0.000 0.435 17 E N -0.002 120.201 120.200 0.005 0.000 2.118 17 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 17 E C 2.050 178.617 176.600 -0.055 0.000 0.992 17 E CA 1.300 57.691 56.400 -0.014 0.000 0.804 17 E CB -0.089 29.611 29.700 -0.000 0.000 0.741 17 E HN 0.271 nan 8.360 nan 0.000 0.458 18 V N 0.703 120.554 119.914 -0.105 0.000 2.427 18 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 18 V C 2.514 178.642 176.094 0.056 0.000 1.051 18 V CA 1.814 63.991 62.300 -0.206 0.000 1.048 18 V CB -0.480 31.081 31.823 -0.435 0.000 0.666 18 V HN 0.220 nan 8.190 nan 0.000 0.456 19 S N -0.556 115.232 115.700 0.146 0.000 2.402 19 S HA -0.061 4.409 4.470 -0.000 0.000 0.229 19 S C 1.885 176.487 174.600 0.003 0.000 1.021 19 S CA 1.200 59.434 58.200 0.056 0.000 0.974 19 S CB -0.262 62.886 63.200 -0.085 0.000 0.800 19 S HN 0.523 nan 8.310 nan 0.000 0.484 20 L N 1.404 122.628 121.223 0.002 0.000 2.141 20 L HA -0.033 4.307 4.340 -0.000 0.000 0.209 20 L C 2.314 179.185 176.870 0.003 0.000 1.094 20 L CA 0.840 55.678 54.840 -0.005 0.000 0.763 20 L CB -0.481 41.574 42.059 -0.007 0.000 0.908 20 L HN 0.296 nan 8.230 nan 0.000 0.437 21 N N -0.760 117.945 118.700 0.009 0.000 2.300 21 N HA -0.088 4.652 4.740 -0.000 0.000 0.179 21 N C 1.996 177.536 175.510 0.049 0.000 1.016 21 N CA 1.120 54.176 53.050 0.012 0.000 0.876 21 N CB 0.075 38.557 38.487 -0.008 0.000 0.979 21 N HN 0.167 nan 8.380 nan 0.000 0.432 22 S N 0.026 115.793 115.700 0.111 0.000 2.387 22 S HA -0.001 4.469 4.470 -0.000 0.000 0.226 22 S C 2.008 176.675 174.600 0.111 0.000 1.026 22 S CA 1.007 59.321 58.200 0.190 0.000 0.972 22 S CB -0.394 63.040 63.200 0.390 0.000 0.814 22 S HN 0.482 nan 8.310 nan 0.000 0.477 23 G N 1.586 110.413 108.800 0.044 0.000 2.421 23 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.216 23 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.216 23 G C 1.592 176.479 174.900 -0.022 0.000 1.171 23 G CA 0.874 45.968 45.100 -0.010 0.000 0.775 23 G HN 0.552 nan 8.290 nan 0.000 0.543 24 A N 1.327 124.139 122.820 -0.013 0.000 1.892 24 A HA 0.132 4.452 4.320 -0.000 0.000 0.218 24 A C 2.842 180.406 177.584 -0.033 0.000 1.188 24 A CA 2.611 54.632 52.037 -0.026 0.000 0.631 24 A CB -0.948 18.035 19.000 -0.027 0.000 0.822 24 A HN 0.856 nan 8.150 nan 0.000 0.447 25 A N -0.794 122.009 122.820 -0.029 0.000 1.865 25 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 25 A C 2.257 179.936 177.584 0.159 0.000 1.191 25 A CA 1.941 53.938 52.037 -0.066 0.000 0.623 25 A CB -1.087 17.837 19.000 -0.128 0.000 0.826 25 A HN 0.458 nan 8.150 nan 0.000 0.444 26 V N -0.511 119.496 119.914 0.154 0.000 2.407 26 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 26 V C 2.496 178.514 176.094 -0.128 0.000 1.055 26 V CA 1.874 64.153 62.300 -0.034 0.000 1.049 26 V CB -0.657 30.913 31.823 -0.422 0.000 0.662 26 V HN 0.551 nan 8.190 nan 0.000 0.455 27 L N 0.515 121.681 121.223 -0.096 0.000 2.017 27 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 27 L C 2.480 179.324 176.870 -0.044 0.000 1.073 27 L CA 2.441 57.231 54.840 -0.083 0.000 0.745 27 L CB -0.825 41.196 42.059 -0.063 0.000 0.894 27 L HN 0.252 nan 8.230 nan 0.000 0.432 28 A N -0.927 121.885 122.820 -0.013 0.000 1.898 28 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 28 A C 2.336 179.945 177.584 0.042 0.000 1.181 28 A CA 1.445 53.483 52.037 0.000 0.000 0.620 28 A CB -1.540 17.452 19.000 -0.013 0.000 0.819 28 A HN 0.507 nan 8.150 nan 0.000 0.442 29 G N -0.029 108.850 108.800 0.132 0.000 2.459 29 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 29 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 29 G C 1.579 176.495 174.900 0.027 0.000 1.183 29 G CA 1.124 46.332 45.100 0.180 0.000 0.776 29 G HN 0.419 nan 8.290 nan 0.000 0.552 30 L N -0.361 120.843 121.223 -0.032 0.000 2.046 30 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 30 L C 3.228 180.090 176.870 -0.013 0.000 1.077 30 L CA 1.087 55.903 54.840 -0.040 0.000 0.747 30 L CB -0.282 41.737 42.059 -0.067 0.000 0.896 30 L HN 0.172 nan 8.230 nan 0.000 0.432 31 R N -0.276 120.214 120.500 -0.017 0.000 2.092 31 R HA -0.158 4.182 4.340 -0.000 0.000 0.231 31 R C 2.121 178.417 176.300 -0.007 0.000 1.119 31 R CA 1.106 57.196 56.100 -0.017 0.000 0.970 31 R CB -0.172 30.108 30.300 -0.034 0.000 0.864 31 R HN 0.376 nan 8.270 nan 0.000 0.440 32 E N -0.399 119.802 120.200 0.002 0.000 2.204 32 E HA -0.110 4.240 4.350 -0.000 0.000 0.195 32 E C 1.466 178.070 176.600 0.006 0.000 0.990 32 E CA 1.012 57.416 56.400 0.007 0.000 0.821 32 E CB 0.039 29.753 29.700 0.023 0.000 0.750 32 E HN 0.425 nan 8.360 nan 0.000 0.477 33 G N -1.143 107.659 108.800 0.003 0.000 3.233 33 G HA2 0.234 4.194 3.960 -0.000 0.000 0.227 33 G HA3 0.234 4.194 3.960 -0.000 0.000 0.227 33 G C 0.872 175.774 174.900 0.003 0.000 1.175 33 G CA 0.169 45.268 45.100 -0.000 0.000 0.781 33 G HN 0.373 nan 8.290 nan 0.000 0.542 34 G N -0.125 108.678 108.800 0.004 0.000 2.176 34 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.253 34 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.253 34 G C 0.313 175.224 174.900 0.019 0.000 0.979 34 G CA 0.069 45.174 45.100 0.009 0.000 0.641 34 G HN 0.299 nan 8.290 nan 0.000 0.530 35 I N 1.096 121.679 120.570 0.021 0.000 2.472 35 I HA 0.347 4.517 4.170 -0.000 0.000 0.290 35 I C 0.065 176.210 176.117 0.046 0.000 1.016 35 I CA -0.935 60.391 61.300 0.043 0.000 1.348 35 I CB 1.286 39.316 38.000 0.049 0.000 1.417 35 I HN 0.056 nan 8.210 nan 0.000 0.521 36 D N 4.911 125.366 120.400 0.092 0.000 2.500 36 D HA 0.466 5.106 4.640 -0.000 0.000 0.219 36 D C -0.278 176.143 176.300 0.202 0.000 1.137 36 D CA -0.129 53.937 54.000 0.110 0.000 0.946 36 D CB 0.407 41.320 40.800 0.189 0.000 1.022 36 D HN 0.629 nan 8.370 nan 0.000 0.518 37 A N 3.332 126.189 122.820 0.063 0.000 2.312 37 A HA 0.596 4.916 4.320 -0.000 0.000 0.326 37 A C -1.245 176.326 177.584 -0.023 0.000 1.172 37 A CA -0.534 51.578 52.037 0.124 0.000 0.821 37 A CB 0.508 19.529 19.000 0.034 0.000 1.166 37 A HN 0.478 nan 8.150 nan 0.000 0.493 38 Y N 2.095 122.473 120.300 0.131 0.000 2.376 38 Y HA 0.465 5.015 4.550 -0.000 0.000 0.340 38 Y C -2.230 173.696 175.900 0.043 0.000 0.965 38 Y CA -2.694 55.492 58.100 0.143 0.000 1.078 38 Y CB 2.100 40.779 38.460 0.364 0.000 1.193 38 Y HN 0.488 nan 8.280 nan 0.000 0.452 39 P HA 0.198 nan 4.420 nan 0.000 0.281 39 P C -0.927 176.412 177.300 0.065 0.000 1.286 39 P CA -0.049 63.084 63.100 0.056 0.000 0.772 39 P CB 1.383 33.098 31.700 0.025 0.000 0.862 40 V N 4.269 124.188 119.914 0.009 0.000 2.444 40 V HA 0.265 4.385 4.120 -0.000 0.000 0.294 40 V C -0.051 176.033 176.094 -0.018 0.000 1.022 40 V CA -0.322 61.974 62.300 -0.007 0.000 0.850 40 V CB 1.864 33.631 31.823 -0.094 0.000 0.992 40 V HN 0.481 nan 8.190 nan 0.000 0.426 41 D N 7.326 127.725 120.400 -0.002 0.000 2.349 41 D HA 0.379 5.019 4.640 -0.000 0.000 0.232 41 D C -1.520 174.775 176.300 -0.008 0.000 1.071 41 D CA -2.161 51.835 54.000 -0.008 0.000 0.832 41 D CB 2.674 43.473 40.800 -0.001 0.000 1.086 41 D HN 0.218 nan 8.370 nan 0.000 0.504 42 P HA -0.141 nan 4.420 nan 0.000 0.226 42 P C 1.006 178.302 177.300 -0.007 0.000 1.146 42 P CA 0.722 63.814 63.100 -0.014 0.000 0.773 42 P CB 0.435 32.121 31.700 -0.023 0.000 0.772 43 K N 0.092 120.489 120.400 -0.005 0.000 2.305 43 K HA -0.051 4.269 4.320 -0.000 0.000 0.199 43 K C 1.926 178.528 176.600 0.003 0.000 1.047 43 K CA 0.761 57.047 56.287 -0.001 0.000 0.976 43 K CB 0.158 32.658 32.500 -0.001 0.000 0.765 43 K HN 0.016 nan 8.250 nan 0.000 0.474 44 E N -0.258 119.946 120.200 0.006 0.000 2.206 44 E HA 0.055 4.405 4.350 -0.000 0.000 0.195 44 E C -0.361 176.249 176.600 0.016 0.000 0.935 44 E CA 0.220 56.627 56.400 0.012 0.000 0.875 44 E CB 0.987 30.696 29.700 0.016 0.000 0.841 44 E HN -0.025 nan 8.360 nan 0.000 0.477 45 V N 1.967 121.891 119.914 0.017 0.000 2.667 45 V HA 0.144 4.264 4.120 -0.000 0.000 0.308 45 V C -0.298 175.805 176.094 0.015 0.000 1.048 45 V CA -0.934 61.380 62.300 0.023 0.000 0.928 45 V CB 1.760 33.605 31.823 0.037 0.000 1.004 45 V HN 0.032 nan 8.190 nan 0.000 0.444 46 D N 2.618 123.029 120.400 0.018 0.000 2.359 46 D HA 0.083 4.723 4.640 -0.000 0.000 0.250 46 D C 1.117 177.425 176.300 0.014 0.000 1.264 46 D CA -0.105 53.903 54.000 0.012 0.000 0.911 46 D CB 1.451 42.260 40.800 0.015 0.000 1.056 46 D HN 0.467 nan 8.370 nan 0.000 0.499 47 V N 1.988 121.902 119.914 -0.000 0.000 3.026 47 V HA -0.126 3.994 4.120 -0.000 0.000 0.265 47 V C 1.566 177.660 176.094 -0.001 0.000 1.121 47 V CA 1.340 63.634 62.300 -0.009 0.000 1.142 47 V CB -1.063 30.740 31.823 -0.033 0.000 0.730 47 V HN 0.419 nan 8.190 nan 0.000 0.503 48 T N 0.641 115.196 114.554 0.002 0.000 3.163 48 T HA -0.025 4.325 4.350 -0.000 0.000 0.260 48 T C 1.470 176.182 174.700 0.019 0.000 1.156 48 T CA 1.295 63.398 62.100 0.005 0.000 1.072 48 T CB -0.289 68.580 68.868 0.002 0.000 0.937 48 T HN 0.709 nan 8.240 nan 0.000 0.528 49 Q N -0.258 119.562 119.800 0.032 0.000 2.194 49 Q HA 0.333 4.673 4.340 -0.000 0.000 0.214 49 Q C 1.668 177.720 176.000 0.086 0.000 0.838 49 Q CA -0.200 55.632 55.803 0.047 0.000 0.972 49 Q CB 0.117 28.881 28.738 0.044 0.000 1.131 49 Q HN 0.461 nan 8.270 nan 0.000 0.498 50 L N 0.816 122.096 121.223 0.096 0.000 2.051 50 L HA -0.275 4.065 4.340 -0.000 0.000 0.214 50 L C 2.472 179.475 176.870 0.223 0.000 1.076 50 L CA 1.599 56.548 54.840 0.181 0.000 0.758 50 L CB -0.396 41.703 42.059 0.067 0.000 0.890 50 L HN 0.189 nan 8.230 nan 0.000 0.433 51 K N -0.254 120.216 120.400 0.117 0.000 2.062 51 K HA -0.099 4.221 4.320 -0.000 0.000 0.205 51 K C 2.135 178.763 176.600 0.046 0.000 1.051 51 K CA 1.363 57.701 56.287 0.086 0.000 0.941 51 K CB 0.074 32.608 32.500 0.056 0.000 0.719 51 K HN 0.135 nan 8.250 nan 0.000 0.440 52 S N 0.886 116.607 115.700 0.035 0.000 2.500 52 S HA -0.043 4.427 4.470 -0.000 0.000 0.239 52 S C 1.494 176.080 174.600 -0.024 0.000 0.989 52 S CA 0.879 59.083 58.200 0.005 0.000 0.951 52 S CB -0.053 63.152 63.200 0.009 0.000 0.759 52 S HN 0.333 nan 8.310 nan 0.000 0.523 53 M N -0.155 119.434 119.600 -0.018 0.000 2.509 53 M HA 0.197 4.676 4.480 -0.000 0.000 0.250 53 M C 1.592 177.673 176.300 -0.364 0.000 1.132 53 M CA 0.575 55.793 55.300 -0.137 0.000 1.080 53 M CB 0.250 32.835 32.600 -0.024 0.000 1.408 53 M HN 0.438 nan 8.290 nan 0.000 0.484 54 G N 0.708 109.360 108.800 -0.247 0.000 2.159 54 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.227 54 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.227 54 G C -0.186 174.532 174.900 -0.303 0.000 0.986 54 G CA -0.643 44.285 45.100 -0.287 0.000 0.651 54 G HN 0.316 nan 8.290 nan 0.000 0.523 55 F N 0.748 120.652 119.950 -0.077 0.000 2.456 55 F HA 0.563 5.090 4.527 -0.000 0.000 0.358 55 F C 1.507 177.301 175.800 -0.008 0.000 1.095 55 F CA -0.205 57.764 58.000 -0.052 0.000 1.216 55 F CB 1.382 40.360 39.000 -0.037 0.000 1.125 55 F HN -0.057 nan 8.300 nan 0.000 0.549 56 Q N 1.645 121.566 119.800 0.200 0.000 2.204 56 Q HA 0.143 4.483 4.340 -0.000 0.000 0.198 56 Q C -0.206 175.873 176.000 0.132 0.000 0.946 56 Q CA 1.262 57.142 55.803 0.128 0.000 0.859 56 Q CB 0.264 29.059 28.738 0.095 0.000 0.946 56 Q HN 0.551 nan 8.270 nan 0.000 0.474 57 K N -1.243 119.252 120.400 0.157 0.000 2.466 57 K HA 0.674 4.994 4.320 -0.000 0.000 0.260 57 K C -1.455 175.220 176.600 0.125 0.000 1.011 57 K CA -0.854 55.512 56.287 0.131 0.000 0.871 57 K CB 2.819 35.386 32.500 0.111 0.000 1.404 57 K HN -0.302 nan 8.250 nan 0.000 0.450 58 V N 1.624 121.613 119.914 0.126 0.000 2.531 58 V HA 0.395 4.515 4.120 -0.000 0.000 0.301 58 V C -1.368 174.832 176.094 0.176 0.000 1.034 58 V CA -0.809 61.553 62.300 0.102 0.000 0.865 58 V CB 1.265 33.128 31.823 0.066 0.000 0.995 58 V HN 0.616 nan 8.190 nan 0.000 0.424 59 F N 5.801 125.777 119.950 0.043 0.000 2.385 59 F HA 0.617 5.144 4.527 -0.000 0.000 0.360 59 F C 0.047 175.896 175.800 0.082 0.000 1.122 59 F CA -1.198 56.846 58.000 0.073 0.000 1.090 59 F CB 0.821 39.841 39.000 0.033 0.000 1.150 59 F HN 0.371 nan 8.300 nan 0.000 0.472 60 I N 6.760 127.537 120.570 0.345 0.000 2.322 60 I HA 0.286 4.456 4.170 -0.000 0.000 0.292 60 I C 0.509 176.873 176.117 0.411 0.000 1.060 60 I CA -0.204 61.267 61.300 0.284 0.000 1.309 60 I CB 1.054 39.147 38.000 0.155 0.000 1.415 60 I HN 0.787 nan 8.210 nan 0.000 0.492 61 A N 7.826 130.804 122.820 0.264 0.000 2.676 61 A HA 0.505 4.825 4.320 -0.000 0.000 0.297 61 A C 0.056 177.510 177.584 -0.217 0.000 1.132 61 A CA -0.318 51.814 52.037 0.157 0.000 0.972 61 A CB 0.029 19.118 19.000 0.148 0.000 1.197 61 A HN 0.623 nan 8.150 nan 0.000 0.524 62 L N 0.980 122.093 121.223 -0.183 0.000 2.379 62 L HA 0.458 4.798 4.340 -0.000 0.000 0.269 62 L C -0.308 176.368 176.870 -0.323 0.000 1.084 62 L CA -0.681 54.004 54.840 -0.259 0.000 0.802 62 L CB 0.893 42.897 42.059 -0.092 0.000 1.175 62 L HN 0.330 nan 8.230 nan 0.000 0.448 63 H N 1.698 120.790 119.070 0.037 0.000 2.658 63 H HA 0.653 5.209 4.556 -0.000 0.000 0.337 63 H C 0.259 175.598 175.328 0.019 0.000 1.009 63 H CA -0.171 55.893 56.048 0.028 0.000 1.231 63 H CB 1.662 31.442 29.762 0.030 0.000 1.508 63 H HN 0.780 nan 8.280 nan 0.000 0.517 64 G N 2.109 110.985 108.800 0.127 0.000 2.483 64 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.521 64 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.521 64 G C -0.781 174.142 174.900 0.038 0.000 1.278 64 G CA -1.237 43.908 45.100 0.075 0.000 0.965 64 G HN 0.568 nan 8.290 nan 0.000 0.504 65 R N 0.295 120.813 120.500 0.030 0.000 2.522 65 R HA 0.396 4.736 4.340 -0.000 0.000 0.284 65 R C 1.570 177.873 176.300 0.005 0.000 1.032 65 R CA 1.908 58.016 56.100 0.013 0.000 1.049 65 R CB 0.361 30.672 30.300 0.017 0.000 0.956 65 R HN 2.280 nan 8.270 nan 0.000 0.422 66 G N 1.344 110.138 108.800 -0.009 0.000 2.284 66 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.216 66 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.216 66 G C 0.673 175.555 174.900 -0.031 0.000 1.009 66 G CA -0.029 45.060 45.100 -0.018 0.000 0.625 66 G HN 0.772 nan 8.290 nan 0.000 0.501 67 G N -0.470 108.315 108.800 -0.025 0.000 2.692 67 G HA2 0.437 4.397 3.960 -0.000 0.000 0.201 67 G HA3 0.437 4.397 3.960 -0.000 0.000 0.201 67 G C 0.897 175.779 174.900 -0.031 0.000 1.063 67 G CA 1.082 46.160 45.100 -0.036 0.000 0.790 67 G HN 0.434 nan 8.290 nan 0.000 0.599 68 E N 0.719 120.910 120.200 -0.015 0.000 2.526 68 E HA 0.046 4.396 4.350 -0.000 0.000 0.208 68 E C 0.633 177.215 176.600 -0.030 0.000 0.997 68 E CA 0.226 56.617 56.400 -0.016 0.000 0.961 68 E CB 0.589 30.292 29.700 0.006 0.000 1.030 68 E HN 0.474 nan 8.360 nan 0.000 0.483 69 D N -0.854 119.526 120.400 -0.033 0.000 2.349 69 D HA 0.075 4.715 4.640 -0.000 0.000 0.214 69 D C 1.340 177.613 176.300 -0.045 0.000 1.063 69 D CA 0.634 54.611 54.000 -0.038 0.000 0.847 69 D CB 0.486 41.269 40.800 -0.029 0.000 0.933 69 D HN 0.152 nan 8.370 nan 0.000 0.513 70 G N 0.051 108.820 108.800 -0.052 0.000 2.234 70 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.235 70 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.235 70 G C 1.331 176.195 174.900 -0.060 0.000 0.997 70 G CA 0.859 45.927 45.100 -0.052 0.000 0.623 70 G HN 0.553 nan 8.290 nan 0.000 0.514 71 T N -0.709 113.811 114.554 -0.057 0.000 2.701 71 T HA 0.113 4.463 4.350 -0.000 0.000 0.263 71 T C 2.279 176.932 174.700 -0.079 0.000 1.040 71 T CA 1.483 63.550 62.100 -0.055 0.000 1.147 71 T CB -0.214 68.629 68.868 -0.041 0.000 0.865 71 T HN 0.495 nan 8.240 nan 0.000 0.426 72 L N 0.720 121.884 121.223 -0.099 0.000 2.046 72 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 72 L C 2.583 179.313 176.870 -0.234 0.000 1.077 72 L CA 2.069 56.826 54.840 -0.138 0.000 0.747 72 L CB -0.798 41.183 42.059 -0.130 0.000 0.896 72 L HN 0.315 nan 8.230 nan 0.000 0.432 73 Q N -0.293 119.337 119.800 -0.282 0.000 2.167 73 Q HA -0.071 4.269 4.340 -0.000 0.000 0.202 73 Q C 2.072 177.943 176.000 -0.214 0.000 0.970 73 Q CA 1.416 56.941 55.803 -0.464 0.000 0.855 73 Q CB -0.661 27.905 28.738 -0.287 0.000 0.911 73 Q HN 0.611 nan 8.270 nan 0.000 0.438 74 G N 0.493 109.229 108.800 -0.107 0.000 2.433 74 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.216 74 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.216 74 G C 1.382 176.257 174.900 -0.042 0.000 1.186 74 G CA 0.905 45.978 45.100 -0.044 0.000 0.779 74 G HN 0.311 nan 8.290 nan 0.000 0.543 75 M N 0.064 119.625 119.600 -0.064 0.000 2.082 75 M HA -0.031 4.449 4.480 -0.000 0.000 0.258 75 M C 2.553 178.830 176.300 -0.038 0.000 1.069 75 M CA 1.460 56.732 55.300 -0.047 0.000 1.102 75 M CB -0.269 32.299 32.600 -0.053 0.000 1.336 75 M HN 0.221 nan 8.290 nan 0.000 0.404 76 L N -0.141 121.031 121.223 -0.086 0.000 2.191 76 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 76 L C 2.451 179.367 176.870 0.077 0.000 1.103 76 L CA 0.953 55.769 54.840 -0.039 0.000 0.769 76 L CB -0.753 41.197 42.059 -0.180 0.000 0.908 76 L HN 0.349 nan 8.230 nan 0.000 0.438 77 E N 0.050 120.302 120.200 0.086 0.000 2.072 77 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 77 E C 2.242 178.885 176.600 0.071 0.000 0.985 77 E CA 1.097 57.577 56.400 0.133 0.000 0.801 77 E CB -0.093 29.680 29.700 0.121 0.000 0.750 77 E HN 0.367 nan 8.360 nan 0.000 0.452 78 L N 0.095 121.342 121.223 0.040 0.000 2.240 78 L HA -0.006 4.334 4.340 -0.000 0.000 0.211 78 L C 2.384 179.271 176.870 0.030 0.000 1.106 78 L CA 0.975 55.832 54.840 0.028 0.000 0.793 78 L CB -0.236 41.833 42.059 0.015 0.000 0.927 78 L HN 0.075 nan 8.230 nan 0.000 0.446 79 M N -1.427 118.193 119.600 0.033 0.000 2.492 79 M HA 0.099 4.579 4.480 -0.000 0.000 0.262 79 M C 1.312 177.640 176.300 0.047 0.000 1.090 79 M CA 0.991 56.312 55.300 0.035 0.000 1.110 79 M CB -0.061 32.558 32.600 0.033 0.000 1.407 79 M HN 0.408 nan 8.290 nan 0.000 0.470 80 G N 1.545 110.381 108.800 0.060 0.000 2.132 80 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.228 80 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.228 80 G C -0.171 174.777 174.900 0.079 0.000 1.000 80 G CA -0.385 44.753 45.100 0.063 0.000 0.693 80 G HN 0.376 nan 8.290 nan 0.000 0.515 81 L N 0.911 122.200 121.223 0.110 0.000 2.272 81 L HA 0.393 4.733 4.340 -0.000 0.000 0.289 81 L C -1.910 175.072 176.870 0.186 0.000 1.032 81 L CA -2.151 52.767 54.840 0.129 0.000 0.810 81 L CB 1.644 43.777 42.059 0.123 0.000 1.205 81 L HN -0.110 nan 8.230 nan 0.000 0.422 82 P HA 0.091 nan 4.420 nan 0.000 0.269 82 P C -1.502 175.884 177.300 0.143 0.000 1.209 82 P CA 0.271 63.401 63.100 0.049 0.000 0.776 82 P CB 0.397 32.100 31.700 0.005 0.000 0.876 83 Y N -1.959 118.343 120.300 0.004 0.000 2.625 83 Y HA 0.665 5.215 4.550 -0.000 0.000 0.338 83 Y C -0.222 175.664 175.900 -0.022 0.000 1.123 83 Y CA -1.363 56.734 58.100 -0.005 0.000 1.046 83 Y CB 0.234 38.697 38.460 0.005 0.000 1.299 83 Y HN 0.359 nan 8.280 nan 0.000 0.464 84 T N -0.414 114.217 114.554 0.128 0.000 2.868 84 T HA 0.612 4.962 4.350 -0.000 0.000 0.292 84 T C 0.655 175.502 174.700 0.246 0.000 1.028 84 T CA 0.281 62.398 62.100 0.029 0.000 1.059 84 T CB 0.639 69.330 68.868 -0.294 0.000 0.991 84 T HN 2.208 nan 8.240 nan 0.000 0.531 85 G N 1.565 110.543 108.800 0.297 0.000 2.681 85 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.220 85 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.220 85 G C -0.055 174.926 174.900 0.135 0.000 1.353 85 G CA -0.412 44.839 45.100 0.251 0.000 0.872 85 G HN 1.161 nan 8.290 nan 0.000 0.557 86 S N 0.009 115.753 115.700 0.073 0.000 2.589 86 S HA 0.528 4.998 4.470 -0.000 0.000 0.265 86 S C 1.388 176.055 174.600 0.111 0.000 1.342 86 S CA 0.375 58.582 58.200 0.012 0.000 1.005 86 S CB 0.918 64.058 63.200 -0.101 0.000 0.909 86 S HN 1.643 nan 8.310 nan 0.000 0.555 87 G N -0.024 108.804 108.800 0.047 0.000 2.489 87 G HA2 0.321 4.281 3.960 -0.000 0.000 0.271 87 G HA3 0.321 4.281 3.960 -0.000 0.000 0.271 87 G C 1.080 176.030 174.900 0.084 0.000 1.427 87 G CA -0.524 44.645 45.100 0.116 0.000 1.057 87 G HN 0.477 nan 8.290 nan 0.000 0.532 88 V N 0.319 120.272 119.914 0.065 0.000 2.270 88 V HA -0.159 3.961 4.120 -0.000 0.000 0.245 88 V C 2.760 178.842 176.094 -0.021 0.000 1.043 88 V CA 1.943 64.251 62.300 0.014 0.000 1.014 88 V CB -0.636 31.194 31.823 0.011 0.000 0.645 88 V HN 0.596 nan 8.190 nan 0.000 0.447 89 M N 0.407 119.990 119.600 -0.029 0.000 2.065 89 M HA -0.182 4.298 4.480 -0.000 0.000 0.259 89 M C 2.264 178.516 176.300 -0.080 0.000 1.069 89 M CA 2.664 57.933 55.300 -0.051 0.000 1.110 89 M CB -0.809 31.761 32.600 -0.049 0.000 1.328 89 M HN 0.361 nan 8.290 nan 0.000 0.405 90 A N -0.622 122.141 122.820 -0.095 0.000 1.902 90 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 90 A C 2.250 179.756 177.584 -0.130 0.000 1.181 90 A CA 2.300 54.251 52.037 -0.142 0.000 0.623 90 A CB -0.942 17.943 19.000 -0.192 0.000 0.818 90 A HN 0.627 nan 8.150 nan 0.000 0.443 91 S N -0.178 115.469 115.700 -0.088 0.000 2.368 91 S HA -0.003 4.467 4.470 -0.000 0.000 0.224 91 S C 2.297 176.852 174.600 -0.075 0.000 1.029 91 S CA 1.127 59.283 58.200 -0.073 0.000 0.988 91 S CB -0.439 62.738 63.200 -0.039 0.000 0.838 91 S HN 0.794 nan 8.310 nan 0.000 0.462 92 A N 1.123 123.901 122.820 -0.070 0.000 1.930 92 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 92 A C 2.073 179.601 177.584 -0.092 0.000 1.175 92 A CA 1.078 53.074 52.037 -0.068 0.000 0.627 92 A CB -0.571 18.395 19.000 -0.057 0.000 0.815 92 A HN 0.392 nan 8.150 nan 0.000 0.443 93 L N -0.203 120.951 121.223 -0.115 0.000 2.072 93 L HA -0.011 4.329 4.340 -0.000 0.000 0.205 93 L C 2.503 179.252 176.870 -0.202 0.000 1.079 93 L CA 2.275 57.021 54.840 -0.157 0.000 0.752 93 L CB -0.767 41.192 42.059 -0.167 0.000 0.906 93 L HN 0.292 nan 8.230 nan 0.000 0.436 94 S N -0.980 114.611 115.700 -0.181 0.000 2.423 94 S HA -0.186 4.284 4.470 -0.000 0.000 0.231 94 S C 1.860 176.376 174.600 -0.139 0.000 1.014 94 S CA 1.434 59.526 58.200 -0.179 0.000 0.965 94 S CB -0.267 62.858 63.200 -0.125 0.000 0.785 94 S HN 0.445 nan 8.310 nan 0.000 0.495 95 M N 1.669 121.205 119.600 -0.106 0.000 2.229 95 M HA 0.029 4.509 4.480 -0.000 0.000 0.264 95 M C 0.257 176.506 176.300 -0.085 0.000 1.063 95 M CA 1.167 56.423 55.300 -0.074 0.000 1.114 95 M CB 0.056 32.625 32.600 -0.052 0.000 1.387 95 M HN -0.091 nan 8.290 nan 0.000 0.420 96 D N 0.449 120.779 120.400 -0.116 0.000 2.411 96 D HA 0.093 4.733 4.640 -0.000 0.000 0.225 96 D C 0.368 176.559 176.300 -0.181 0.000 1.156 96 D CA 0.113 54.041 54.000 -0.121 0.000 0.874 96 D CB 0.736 41.470 40.800 -0.108 0.000 1.034 96 D HN 0.270 nan 8.370 nan 0.000 0.502 97 K N 3.022 123.325 120.400 -0.161 0.000 2.148 97 K HA -0.065 4.255 4.320 -0.000 0.000 0.204 97 K C 1.765 178.205 176.600 -0.266 0.000 1.050 97 K CA 0.317 56.480 56.287 -0.207 0.000 0.942 97 K CB 0.317 32.733 32.500 -0.140 0.000 0.724 97 K HN 0.429 nan 8.250 nan 0.000 0.446 98 L N 1.213 122.311 121.223 -0.208 0.000 2.056 98 L HA -0.147 4.192 4.340 -0.000 0.000 0.207 98 L C 1.914 178.648 176.870 -0.228 0.000 1.078 98 L CA 1.701 56.411 54.840 -0.217 0.000 0.749 98 L CB -0.207 41.808 42.059 -0.073 0.000 0.901 98 L HN 0.172 nan 8.230 nan 0.000 0.433 99 R N -0.934 119.448 120.500 -0.197 0.000 2.153 99 R HA -0.014 4.326 4.340 -0.000 0.000 0.218 99 R C 2.273 178.384 176.300 -0.314 0.000 1.072 99 R CA 1.128 57.111 56.100 -0.195 0.000 0.990 99 R CB -0.033 30.183 30.300 -0.139 0.000 0.889 99 R HN 0.327 nan 8.270 nan 0.000 0.452 100 S N 1.028 116.458 115.700 -0.450 0.000 2.402 100 S HA -0.088 4.382 4.470 -0.000 0.000 0.229 100 S C 1.597 175.718 174.600 -0.799 0.000 1.021 100 S CA 1.148 58.863 58.200 -0.808 0.000 0.974 100 S CB 0.035 62.625 63.200 -1.018 0.000 0.800 100 S HN 0.283 nan 8.310 nan 0.000 0.484 101 K N 1.007 121.110 120.400 -0.495 0.000 2.025 101 K HA 0.067 4.387 4.320 -0.000 0.000 0.207 101 K C 2.010 178.474 176.600 -0.225 0.000 1.049 101 K CA 0.912 56.985 56.287 -0.356 0.000 0.933 101 K CB -0.335 31.739 32.500 -0.710 0.000 0.714 101 K HN 0.251 nan 8.250 nan 0.000 0.438 102 L N 0.982 122.087 121.223 -0.197 0.000 2.012 102 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 102 L C 2.441 179.322 176.870 0.018 0.000 1.073 102 L CA 0.795 55.627 54.840 -0.013 0.000 0.748 102 L CB -0.473 41.593 42.059 0.012 0.000 0.891 102 L HN 0.243 nan 8.230 nan 0.000 0.431 103 L N -0.817 120.370 121.223 -0.059 0.000 1.970 103 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 103 L C 2.539 179.485 176.870 0.126 0.000 1.071 103 L CA 2.226 57.050 54.840 -0.026 0.000 0.751 103 L CB -1.040 40.921 42.059 -0.162 0.000 0.889 103 L HN 0.409 nan 8.230 nan 0.000 0.432 104 W N 0.353 121.632 121.300 -0.034 0.000 2.333 104 W HA -0.257 4.403 4.660 0.000 0.000 0.316 104 W C 2.820 179.346 176.519 0.011 0.000 1.215 104 W CA 1.494 58.828 57.345 -0.018 0.000 1.278 104 W CB -1.227 28.212 29.460 -0.034 0.000 1.154 104 W HN 0.399 nan 8.180 nan 0.000 0.486 105 Q N -0.249 119.710 119.800 0.265 0.000 2.124 105 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 105 Q C 2.362 178.462 176.000 0.167 0.000 0.977 105 Q CA 2.364 58.293 55.803 0.210 0.000 0.850 105 Q CB -0.814 28.077 28.738 0.255 0.000 0.901 105 Q HN 0.147 nan 8.270 nan 0.000 0.429 106 G N -0.087 108.802 108.800 0.148 0.000 2.448 106 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.219 106 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.219 106 G C 1.304 176.263 174.900 0.098 0.000 1.127 106 G CA 0.591 45.758 45.100 0.112 0.000 0.766 106 G HN 0.487 nan 8.290 nan 0.000 0.552 107 A N -0.457 122.432 122.820 0.115 0.000 2.238 107 A HA 0.470 4.790 4.320 -0.000 0.000 0.208 107 A C 2.039 179.667 177.584 0.074 0.000 1.177 107 A CA 1.263 53.357 52.037 0.095 0.000 0.804 107 A CB -0.405 18.668 19.000 0.123 0.000 0.823 107 A HN 1.542 nan 8.150 nan 0.000 0.482 108 G N -1.904 106.944 108.800 0.081 0.000 2.175 108 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.244 108 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.244 108 G C -0.045 174.880 174.900 0.041 0.000 0.982 108 G CA 0.176 45.311 45.100 0.060 0.000 0.641 108 G HN 0.323 nan 8.290 nan 0.000 0.527 109 L N 1.525 122.771 121.223 0.039 0.000 2.439 109 L HA 0.468 4.808 4.340 -0.000 0.000 0.269 109 L C -1.710 175.160 176.870 0.001 0.000 1.179 109 L CA -2.023 52.798 54.840 -0.030 0.000 0.828 109 L CB 0.168 42.157 42.059 -0.117 0.000 1.106 109 L HN -0.094 nan 8.230 nan 0.000 0.467 110 P HA 0.180 nan 4.420 nan 0.000 0.270 110 P C -0.966 176.408 177.300 0.124 0.000 1.242 110 P CA 0.088 63.158 63.100 -0.050 0.000 0.768 110 P CB 0.660 32.171 31.700 -0.314 0.000 0.820 111 V N 3.262 123.371 119.914 0.325 0.000 2.760 111 V HA 0.615 4.735 4.120 -0.000 0.000 0.309 111 V C 0.003 176.337 176.094 0.401 0.000 1.077 111 V CA -1.044 61.460 62.300 0.338 0.000 0.910 111 V CB 2.202 34.164 31.823 0.233 0.000 1.008 111 V HN 0.566 nan 8.190 nan 0.000 0.424 112 A N 6.533 129.499 122.820 0.243 0.000 2.462 112 A HA 0.632 4.952 4.320 -0.000 0.000 0.243 112 A C -2.484 175.262 177.584 0.270 0.000 1.076 112 A CA -0.995 51.070 52.037 0.046 0.000 0.773 112 A CB -0.161 18.789 19.000 -0.082 0.000 1.010 112 A HN 0.640 nan 8.150 nan 0.000 0.493 113 P HA 0.243 nan 4.420 nan 0.000 0.266 113 P C -0.585 176.896 177.300 0.300 0.000 1.195 113 P CA 0.526 63.759 63.100 0.221 0.000 0.768 113 P CB 0.243 31.976 31.700 0.055 0.000 0.838 114 W N 1.586 122.895 121.300 0.016 0.000 2.961 114 W HA 0.705 5.365 4.660 -0.000 0.000 0.368 114 W C -2.432 174.097 176.519 0.017 0.000 1.213 114 W CA -0.875 56.478 57.345 0.013 0.000 1.173 114 W CB 0.674 30.144 29.460 0.016 0.000 1.487 114 W HN 0.090 nan 8.180 nan 0.000 0.585 115 V N 2.137 121.981 119.914 -0.117 0.000 2.668 115 V HA 0.759 4.879 4.120 -0.000 0.000 0.304 115 V C -0.359 175.825 176.094 0.149 0.000 1.071 115 V CA -0.659 61.563 62.300 -0.131 0.000 0.894 115 V CB 1.001 32.786 31.823 -0.064 0.000 1.008 115 V HN 0.995 nan 8.190 nan 0.000 0.425 116 A N 5.592 128.514 122.820 0.170 0.000 2.312 116 A HA 0.961 5.281 4.320 -0.000 0.000 0.326 116 A C -0.977 176.702 177.584 0.158 0.000 1.172 116 A CA -0.456 51.714 52.037 0.221 0.000 0.821 116 A CB 0.909 20.079 19.000 0.282 0.000 1.166 116 A HN 0.788 nan 8.150 nan 0.000 0.493 117 L N 1.285 122.617 121.223 0.182 0.000 2.370 117 L HA 0.617 4.957 4.340 -0.000 0.000 0.266 117 L C 0.326 177.426 176.870 0.382 0.000 1.002 117 L CA -0.663 54.334 54.840 0.262 0.000 0.818 117 L CB 2.821 45.068 42.059 0.314 0.000 1.325 117 L HN 0.898 nan 8.230 nan 0.000 0.418 118 T N -2.278 112.452 114.554 0.293 0.000 2.925 118 T HA 0.373 4.723 4.350 -0.000 0.000 0.285 118 T C 0.792 175.431 174.700 -0.102 0.000 1.021 118 T CA -0.755 61.473 62.100 0.213 0.000 1.042 118 T CB 2.143 71.070 68.868 0.098 0.000 1.037 118 T HN 0.606 nan 8.240 nan 0.000 0.481 119 R N 0.852 121.080 120.500 -0.455 0.000 2.103 119 R HA -0.109 4.231 4.340 -0.000 0.000 0.242 119 R C 2.552 178.633 176.300 -0.365 0.000 1.142 119 R CA 1.803 57.312 56.100 -0.986 0.000 0.960 119 R CB -0.994 28.966 30.300 -0.567 0.000 0.858 119 R HN 0.865 nan 8.270 nan 0.000 0.439 120 A N 0.990 123.709 122.820 -0.169 0.000 1.892 120 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 120 A C 1.899 179.450 177.584 -0.055 0.000 1.188 120 A CA 1.948 53.933 52.037 -0.087 0.000 0.631 120 A CB -0.585 18.389 19.000 -0.044 0.000 0.822 120 A HN 0.539 nan 8.150 nan 0.000 0.447 121 E N -1.580 118.612 120.200 -0.012 0.000 2.153 121 E HA -0.185 4.165 4.350 -0.000 0.000 0.194 121 E C 1.747 178.387 176.600 0.067 0.000 0.988 121 E CA 1.267 57.688 56.400 0.035 0.000 0.811 121 E CB -0.279 29.470 29.700 0.082 0.000 0.746 121 E HN 0.708 nan 8.360 nan 0.000 0.466 122 F N 2.198 122.073 119.950 -0.126 0.000 2.146 122 F HA -0.104 4.423 4.527 -0.000 0.000 0.298 122 F C 1.810 177.556 175.800 -0.091 0.000 1.096 122 F CA 1.483 59.424 58.000 -0.098 0.000 1.275 122 F CB -0.037 38.822 39.000 -0.234 0.000 1.008 122 F HN -0.119 nan 8.300 nan 0.000 0.480 123 E N -0.141 119.904 120.200 -0.258 0.000 2.106 123 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 123 E C 1.904 178.370 176.600 -0.223 0.000 0.984 123 E CA 1.222 57.438 56.400 -0.306 0.000 0.806 123 E CB -0.139 29.459 29.700 -0.171 0.000 0.750 123 E HN 0.205 nan 8.360 nan 0.000 0.458 124 K N -0.258 120.059 120.400 -0.139 0.000 2.366 124 K HA 0.074 4.394 4.320 -0.000 0.000 0.198 124 K C 0.108 176.655 176.600 -0.088 0.000 1.044 124 K CA 0.647 56.879 56.287 -0.092 0.000 0.973 124 K CB 0.702 33.171 32.500 -0.052 0.000 0.767 124 K HN 0.220 nan 8.250 nan 0.000 0.475 125 G N 0.211 108.946 108.800 -0.108 0.000 3.069 125 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.686 125 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.686 125 G C -1.112 173.783 174.900 -0.009 0.000 1.161 125 G CA -0.984 44.070 45.100 -0.076 0.000 0.804 125 G HN 0.042 nan 8.290 nan 0.000 0.608 126 L N 2.651 123.893 121.223 0.031 0.000 2.433 126 L HA 0.256 4.596 4.340 -0.000 0.000 0.284 126 L C 1.623 178.517 176.870 0.040 0.000 1.120 126 L CA 0.137 55.019 54.840 0.070 0.000 0.879 126 L CB 0.691 42.819 42.059 0.115 0.000 1.232 126 L HN 0.935 nan 8.230 nan 0.000 0.454 127 S N 1.564 117.282 115.700 0.030 0.000 3.007 127 S HA -0.080 4.390 4.470 -0.000 0.000 0.312 127 S C 1.056 175.668 174.600 0.020 0.000 1.068 127 S CA -0.500 57.711 58.200 0.018 0.000 1.597 127 S CB -0.449 62.759 63.200 0.014 0.000 1.495 127 S HN 0.683 nan 8.310 nan 0.000 0.612 128 D N 2.863 123.274 120.400 0.019 0.000 8.003 128 D HA -0.305 4.335 4.640 -0.000 0.000 0.200 128 D C 1.061 177.370 176.300 0.015 0.000 2.116 128 D CA 2.399 56.410 54.000 0.017 0.000 0.685 128 D CB -0.556 40.250 40.800 0.011 0.000 0.642 128 D HN 0.624 nan 8.370 nan 0.000 0.933 129 K N 0.318 120.725 120.400 0.011 0.000 2.432 129 K HA 0.032 4.352 4.320 -0.000 0.000 0.196 129 K C 2.161 178.766 176.600 0.008 0.000 1.038 129 K CA 0.367 56.658 56.287 0.006 0.000 0.986 129 K CB 0.006 32.508 32.500 0.003 0.000 0.782 129 K HN 0.214 nan 8.250 nan 0.000 0.485 130 Q N 0.157 119.968 119.800 0.018 0.000 2.046 130 Q HA -0.048 4.292 4.340 -0.000 0.000 0.200 130 Q C 1.811 177.826 176.000 0.024 0.000 0.975 130 Q CA 0.915 56.733 55.803 0.026 0.000 0.836 130 Q CB -0.223 28.544 28.738 0.049 0.000 0.896 130 Q HN 0.242 nan 8.270 nan 0.000 0.428 131 L N 0.590 121.829 121.223 0.027 0.000 2.141 131 L HA -0.060 4.280 4.340 -0.000 0.000 0.209 131 L C 2.098 178.974 176.870 0.010 0.000 1.094 131 L CA 1.561 56.416 54.840 0.024 0.000 0.763 131 L CB -1.270 40.806 42.059 0.027 0.000 0.908 131 L HN 0.080 nan 8.230 nan 0.000 0.437 132 A N -0.992 121.831 122.820 0.005 0.000 1.969 132 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 132 A C 2.267 179.844 177.584 -0.012 0.000 1.169 132 A CA 1.524 53.559 52.037 -0.003 0.000 0.635 132 A CB -0.366 18.632 19.000 -0.004 0.000 0.810 132 A HN 0.511 nan 8.150 nan 0.000 0.445 133 E N -0.582 119.608 120.200 -0.016 0.000 2.230 133 E HA -0.009 4.341 4.350 -0.000 0.000 0.192 133 E C 1.724 178.303 176.600 -0.035 0.000 0.987 133 E CA 0.453 56.832 56.400 -0.035 0.000 0.841 133 E CB -0.076 29.595 29.700 -0.048 0.000 0.783 133 E HN 0.683 nan 8.360 nan 0.000 0.481 134 I N 0.339 120.900 120.570 -0.016 0.000 2.353 134 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 134 I C 2.109 178.223 176.117 -0.004 0.000 1.119 134 I CA 0.599 61.895 61.300 -0.007 0.000 1.417 134 I CB 0.083 38.090 38.000 0.011 0.000 1.078 134 I HN -0.001 nan 8.210 nan 0.000 0.421 135 S N 0.820 116.518 115.700 -0.003 0.000 2.453 135 S HA 0.001 4.471 4.470 -0.000 0.000 0.231 135 S C 2.109 176.705 174.600 -0.006 0.000 1.005 135 S CA 0.919 59.117 58.200 -0.003 0.000 0.949 135 S CB -0.125 63.075 63.200 -0.001 0.000 0.774 135 S HN 0.499 nan 8.310 nan 0.000 0.510 136 A N 1.175 123.987 122.820 -0.013 0.000 2.168 136 A HA 0.166 4.486 4.320 -0.000 0.000 0.215 136 A C 1.873 179.448 177.584 -0.015 0.000 1.152 136 A CA 0.610 52.637 52.037 -0.017 0.000 0.716 136 A CB -0.509 18.475 19.000 -0.027 0.000 0.794 136 A HN 0.465 nan 8.150 nan 0.000 0.465 137 L N -1.253 119.962 121.223 -0.012 0.000 2.217 137 L HA 0.174 4.514 4.340 -0.000 0.000 0.211 137 L C 1.402 178.279 176.870 0.011 0.000 1.107 137 L CA 0.635 55.473 54.840 -0.002 0.000 0.783 137 L CB -0.819 41.245 42.059 0.008 0.000 0.919 137 L HN 0.614 nan 8.230 nan 0.000 0.442 138 G N 0.467 109.272 108.800 0.009 0.000 2.663 138 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.686 138 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.686 138 G C -1.151 173.758 174.900 0.015 0.000 1.288 138 G CA -0.382 44.725 45.100 0.012 0.000 0.836 138 G HN 0.137 nan 8.290 nan 0.000 0.584 139 L N -1.718 119.508 121.223 0.006 0.000 2.341 139 L HA 0.988 5.328 4.340 -0.000 0.000 0.267 139 L C -1.957 174.901 176.870 -0.019 0.000 1.009 139 L CA -2.223 52.610 54.840 -0.013 0.000 0.819 139 L CB 0.467 42.506 42.059 -0.033 0.000 1.323 139 L HN 0.536 nan 8.230 nan 0.000 0.425 140 P HA 0.612 nan 4.420 nan 0.000 0.279 140 P C -1.214 176.095 177.300 0.016 0.000 1.282 140 P CA -0.623 62.397 63.100 -0.133 0.000 0.788 140 P CB 1.165 32.608 31.700 -0.429 0.000 1.139 141 V N -0.287 119.635 119.914 0.012 0.000 3.159 141 V HA 0.587 4.707 4.120 -0.000 0.000 0.308 141 V C -1.279 174.900 176.094 0.142 0.000 1.190 141 V CA -1.017 61.352 62.300 0.115 0.000 1.037 141 V CB 2.213 34.068 31.823 0.054 0.000 1.060 141 V HN 0.472 nan 8.190 nan 0.000 0.437 142 I N 3.252 123.926 120.570 0.173 0.000 2.465 142 I HA 0.682 4.852 4.170 -0.000 0.000 0.291 142 I C -1.103 175.021 176.117 0.011 0.000 1.014 142 I CA -0.456 60.912 61.300 0.114 0.000 1.093 142 I CB 1.878 39.960 38.000 0.137 0.000 1.267 142 I HN 0.409 nan 8.210 nan 0.000 0.431 143 V N 7.719 127.604 119.914 -0.048 0.000 2.398 143 V HA 0.536 4.656 4.120 -0.000 0.000 0.286 143 V C -0.529 175.497 176.094 -0.112 0.000 1.026 143 V CA -0.486 61.761 62.300 -0.089 0.000 0.868 143 V CB 1.491 33.245 31.823 -0.116 0.000 0.982 143 V HN 0.789 nan 8.190 nan 0.000 0.443 144 K N 4.464 124.792 120.400 -0.121 0.000 2.527 144 K HA 0.724 5.044 4.320 -0.000 0.000 0.260 144 K C -3.318 173.198 176.600 -0.140 0.000 0.937 144 K CA -2.111 54.106 56.287 -0.116 0.000 0.826 144 K CB 2.444 34.897 32.500 -0.078 0.000 1.359 144 K HN 0.247 nan 8.250 nan 0.000 0.434 145 P HA 0.027 nan 4.420 nan 0.000 0.275 145 P C 0.252 177.508 177.300 -0.073 0.000 1.228 145 P CA -0.381 62.654 63.100 -0.109 0.000 0.786 145 P CB 1.410 33.073 31.700 -0.061 0.000 0.927 146 S N 2.335 118.002 115.700 -0.054 0.000 2.368 146 S HA -0.081 4.389 4.470 -0.000 0.000 0.224 146 S C 0.857 175.433 174.600 -0.041 0.000 1.029 146 S CA 1.121 59.292 58.200 -0.048 0.000 0.988 146 S CB -0.287 62.895 63.200 -0.030 0.000 0.838 146 S HN 0.335 nan 8.310 nan 0.000 0.462 147 R N 1.054 121.545 120.500 -0.016 0.000 3.335 147 R HA 0.391 4.731 4.340 -0.000 0.000 0.337 147 R C -0.619 175.686 176.300 0.007 0.000 1.283 147 R CA -0.186 55.908 56.100 -0.009 0.000 1.246 147 R CB 0.540 30.839 30.300 -0.001 0.000 1.464 147 R HN 0.268 nan 8.270 nan 0.000 0.607 148 E N -0.116 120.082 120.200 -0.003 0.000 2.404 148 E HA 0.656 5.006 4.350 -0.000 0.000 0.264 148 E C -0.093 176.517 176.600 0.016 0.000 0.946 148 E CA -0.849 55.555 56.400 0.007 0.000 0.806 148 E CB 2.224 31.906 29.700 -0.029 0.000 1.334 148 E HN 0.337 nan 8.360 nan 0.000 0.429 149 G N -1.360 107.463 108.800 0.038 0.000 2.727 149 G HA2 0.404 4.364 3.960 -0.000 0.000 0.289 149 G HA3 0.404 4.364 3.960 -0.000 0.000 0.289 149 G C -0.817 174.144 174.900 0.101 0.000 1.418 149 G CA -0.101 45.033 45.100 0.056 0.000 0.818 149 G HN 0.436 nan 8.290 nan 0.000 0.486 150 S N -0.946 114.829 115.700 0.125 0.000 3.587 150 S HA -0.231 4.239 4.470 -0.000 0.000 0.337 150 S C 1.240 175.973 174.600 0.223 0.000 1.119 150 S CA 1.415 59.755 58.200 0.234 0.000 0.976 150 S CB -1.649 61.800 63.200 0.414 0.000 0.922 150 S HN 2.025 nan 8.310 nan 0.000 0.503 151 S N -1.990 113.781 115.700 0.119 0.000 3.521 151 S HA -0.195 4.275 4.470 -0.000 0.000 0.328 151 S C 0.384 175.063 174.600 0.131 0.000 1.165 151 S CA 0.790 59.085 58.200 0.158 0.000 0.941 151 S CB -1.291 62.012 63.200 0.173 0.000 0.951 151 S HN 0.758 nan 8.310 nan 0.000 0.539 152 V N 0.634 120.578 119.914 0.050 0.000 2.555 152 V HA 0.500 4.619 4.120 -0.000 0.000 0.286 152 V C 1.676 177.597 176.094 -0.288 0.000 1.044 152 V CA 1.118 63.348 62.300 -0.118 0.000 1.026 152 V CB 0.704 32.445 31.823 -0.136 0.000 0.981 152 V HN 1.025 nan 8.190 nan 0.000 0.480 153 G N 4.258 112.823 108.800 -0.392 0.000 2.205 153 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.261 153 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.261 153 G C 0.191 175.021 174.900 -0.118 0.000 0.980 153 G CA 0.431 45.322 45.100 -0.348 0.000 0.632 153 G HN 0.540 nan 8.290 nan 0.000 0.533 154 M N 0.695 120.270 119.600 -0.042 0.000 2.227 154 M HA 0.592 5.072 4.480 -0.000 0.000 0.316 154 M C 0.712 177.021 176.300 0.015 0.000 1.144 154 M CA 0.464 55.751 55.300 -0.022 0.000 1.121 154 M CB 1.641 34.243 32.600 0.004 0.000 1.440 154 M HN 0.817 nan 8.290 nan 0.000 0.473 155 S N -0.207 115.438 115.700 -0.092 0.000 2.597 155 S HA 0.406 4.876 4.470 -0.000 0.000 0.274 155 S C -1.474 173.039 174.600 -0.146 0.000 1.132 155 S CA -1.301 56.854 58.200 -0.076 0.000 0.835 155 S CB 1.628 64.828 63.200 -0.000 0.000 1.092 155 S HN 0.737 nan 8.310 nan 0.000 0.457 156 K N 0.979 121.294 120.400 -0.141 0.000 2.159 156 K HA 0.669 4.989 4.320 -0.000 0.000 0.266 156 K C -0.883 175.615 176.600 -0.170 0.000 0.975 156 K CA -0.761 55.402 56.287 -0.206 0.000 0.865 156 K CB 1.594 33.840 32.500 -0.424 0.000 1.087 156 K HN 0.973 nan 8.250 nan 0.000 0.446 157 V N 3.059 122.877 119.914 -0.159 0.000 2.407 157 V HA 0.448 4.568 4.120 -0.000 0.000 0.291 157 V C -1.021 174.986 176.094 -0.145 0.000 1.018 157 V CA -0.667 61.563 62.300 -0.117 0.000 0.842 157 V CB 1.489 33.275 31.823 -0.062 0.000 0.996 157 V HN 0.451 nan 8.190 nan 0.000 0.426 158 V N 6.134 125.962 119.914 -0.144 0.000 2.383 158 V HA 0.847 4.967 4.120 -0.000 0.000 0.275 158 V C 0.802 176.848 176.094 -0.080 0.000 1.036 158 V CA 0.350 62.567 62.300 -0.138 0.000 0.889 158 V CB 0.251 31.987 31.823 -0.144 0.000 0.985 158 V HN 2.274 nan 8.190 nan 0.000 0.459 159 A N 4.232 127.014 122.820 -0.063 0.000 2.435 159 A HA -0.088 4.232 4.320 -0.000 0.000 0.686 159 A C 0.876 178.445 177.584 -0.024 0.000 0.138 159 A CA 0.256 52.271 52.037 -0.037 0.000 0.024 159 A CB -0.879 18.102 19.000 -0.032 0.000 3.974 159 A HN 0.933 nan 8.150 nan 0.000 0.548 160 E N 1.676 121.869 120.200 -0.012 0.000 2.219 160 E HA -0.252 4.098 4.350 -0.000 0.000 0.198 160 E C 1.918 178.523 176.600 0.008 0.000 0.998 160 E CA 1.789 58.190 56.400 0.001 0.000 0.818 160 E CB -0.287 29.416 29.700 0.006 0.000 0.741 160 E HN 0.864 nan 8.360 nan 0.000 0.477 161 N N 0.624 119.325 118.700 0.003 0.000 2.272 161 N HA -0.158 4.582 4.740 -0.000 0.000 0.185 161 N C 1.375 176.892 175.510 0.013 0.000 1.014 161 N CA 1.604 54.659 53.050 0.008 0.000 0.870 161 N CB -0.289 38.199 38.487 0.002 0.000 0.975 161 N HN 0.193 nan 8.380 nan 0.000 0.433 162 A N -0.011 122.810 122.820 0.003 0.000 2.238 162 A HA 0.261 4.581 4.320 -0.000 0.000 0.210 162 A C 2.061 179.653 177.584 0.013 0.000 1.179 162 A CA -0.277 51.763 52.037 0.004 0.000 0.827 162 A CB -0.346 18.644 19.000 -0.016 0.000 0.856 162 A HN 0.193 nan 8.150 nan 0.000 0.488 163 L N -0.616 120.619 121.223 0.020 0.000 2.079 163 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 163 L C 2.443 179.349 176.870 0.060 0.000 1.081 163 L CA 2.194 57.051 54.840 0.028 0.000 0.752 163 L CB -0.404 41.677 42.059 0.036 0.000 0.896 163 L HN 0.434 nan 8.230 nan 0.000 0.433 164 Q N -0.363 119.500 119.800 0.105 0.000 2.061 164 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 164 Q C 1.906 178.005 176.000 0.165 0.000 0.984 164 Q CA 2.203 58.121 55.803 0.192 0.000 0.846 164 Q CB -0.279 28.572 28.738 0.189 0.000 0.902 164 Q HN 0.534 nan 8.270 nan 0.000 0.421 165 D N -0.657 119.804 120.400 0.102 0.000 2.144 165 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 165 D C 1.569 177.894 176.300 0.041 0.000 0.984 165 D CA 1.270 55.319 54.000 0.082 0.000 0.834 165 D CB -0.216 40.618 40.800 0.057 0.000 0.955 165 D HN 0.362 nan 8.370 nan 0.000 0.465 166 A N 0.997 123.821 122.820 0.006 0.000 1.877 166 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 166 A C 2.416 179.936 177.584 -0.107 0.000 1.186 166 A CA 0.857 52.870 52.037 -0.039 0.000 0.620 166 A CB -0.822 18.149 19.000 -0.049 0.000 0.822 166 A HN 0.174 nan 8.150 nan 0.000 0.443 167 L N -1.168 119.960 121.223 -0.158 0.000 2.083 167 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 167 L C 2.785 179.434 176.870 -0.367 0.000 1.083 167 L CA 1.546 56.156 54.840 -0.384 0.000 0.752 167 L CB -0.432 41.336 42.059 -0.485 0.000 0.899 167 L HN 0.421 nan 8.230 nan 0.000 0.433 168 R N 0.083 120.509 120.500 -0.123 0.000 2.120 168 R HA -0.165 4.175 4.340 -0.000 0.000 0.234 168 R C 2.290 178.648 176.300 0.096 0.000 1.123 168 R CA 1.080 57.246 56.100 0.109 0.000 0.975 168 R CB -0.074 30.379 30.300 0.255 0.000 0.866 168 R HN 0.297 nan 8.270 nan 0.000 0.446 169 L N 0.284 121.531 121.223 0.040 0.000 2.072 169 L HA -0.031 4.309 4.340 -0.000 0.000 0.205 169 L C 2.134 179.055 176.870 0.086 0.000 1.079 169 L CA 2.012 56.894 54.840 0.071 0.000 0.752 169 L CB -1.042 41.049 42.059 0.053 0.000 0.906 169 L HN 0.240 nan 8.230 nan 0.000 0.436 170 A N -0.340 122.444 122.820 -0.059 0.000 1.902 170 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 170 A C 1.826 179.357 177.584 -0.089 0.000 1.181 170 A CA 1.381 53.336 52.037 -0.137 0.000 0.623 170 A CB -0.941 17.841 19.000 -0.363 0.000 0.818 170 A HN 0.448 nan 8.150 nan 0.000 0.443 171 F N 0.578 120.505 119.950 -0.039 0.000 2.722 171 F HA -0.043 4.484 4.527 -0.000 0.000 0.298 171 F C 2.361 178.175 175.800 0.023 0.000 1.175 171 F CA 0.884 58.873 58.000 -0.019 0.000 1.462 171 F CB -0.326 38.632 39.000 -0.070 0.000 1.111 171 F HN 0.372 nan 8.300 nan 0.000 0.592 172 Q N -1.547 118.359 119.800 0.177 0.000 2.389 172 Q HA -0.091 4.249 4.340 -0.000 0.000 0.204 172 Q C 1.083 176.997 176.000 -0.143 0.000 0.944 172 Q CA 0.973 56.784 55.803 0.013 0.000 0.908 172 Q CB -0.033 28.668 28.738 -0.061 0.000 1.002 172 Q HN 0.544 nan 8.270 nan 0.000 0.493 173 H N -1.207 117.895 119.070 0.053 0.000 2.729 173 H HA 0.212 4.768 4.556 -0.000 0.000 0.263 173 H C -0.374 174.981 175.328 0.045 0.000 0.961 173 H CA 0.130 56.199 56.048 0.034 0.000 1.217 173 H CB 0.897 30.664 29.762 0.009 0.000 1.447 173 H HN -0.032 nan 8.280 nan 0.000 0.496 174 D N -0.979 119.531 120.400 0.183 0.000 2.623 174 D HA 0.021 4.661 4.640 -0.000 0.000 0.241 174 D C 0.077 176.534 176.300 0.262 0.000 1.241 174 D CA -0.397 53.696 54.000 0.156 0.000 0.788 174 D CB 1.478 42.336 40.800 0.097 0.000 1.413 174 D HN 0.319 nan 8.370 nan 0.000 0.429 175 E N 0.031 120.363 120.200 0.220 0.000 2.478 175 E HA 0.116 4.466 4.350 -0.000 0.000 0.194 175 E C -0.252 176.567 176.600 0.365 0.000 1.045 175 E CA 0.333 56.892 56.400 0.265 0.000 0.868 175 E CB 0.603 30.375 29.700 0.120 0.000 0.885 175 E HN 0.258 nan 8.360 nan 0.000 0.505 176 E N 0.827 121.189 120.200 0.271 0.000 2.199 176 E HA 0.436 4.786 4.350 -0.000 0.000 0.265 176 E C -1.578 175.071 176.600 0.082 0.000 0.882 176 E CA -0.732 55.800 56.400 0.220 0.000 0.759 176 E CB 2.640 32.412 29.700 0.119 0.000 1.148 176 E HN -0.060 nan 8.360 nan 0.000 0.412 177 V N 3.881 123.805 119.914 0.016 0.000 2.914 177 V HA 0.497 4.617 4.120 -0.000 0.000 0.314 177 V C -0.744 175.316 176.094 -0.057 0.000 1.084 177 V CA -0.784 61.395 62.300 -0.201 0.000 0.963 177 V CB 1.851 33.231 31.823 -0.739 0.000 1.025 177 V HN 0.513 nan 8.190 nan 0.000 0.432 178 L N 4.148 125.335 121.223 -0.060 0.000 2.346 178 L HA 0.646 4.986 4.340 -0.000 0.000 0.274 178 L C -0.778 176.110 176.870 0.030 0.000 1.007 178 L CA -0.233 54.638 54.840 0.051 0.000 0.818 178 L CB 1.930 44.002 42.059 0.021 0.000 1.284 178 L HN 0.415 nan 8.230 nan 0.000 0.424 179 I N 2.281 122.917 120.570 0.111 0.000 2.439 179 I HA 0.357 4.527 4.170 -0.000 0.000 0.283 179 I C -0.661 175.542 176.117 0.145 0.000 1.023 179 I CA -0.453 60.890 61.300 0.071 0.000 1.100 179 I CB 1.603 39.628 38.000 0.043 0.000 1.238 179 I HN 0.690 nan 8.210 nan 0.000 0.445 180 E N 5.445 125.720 120.200 0.124 0.000 2.277 180 E HA 0.448 4.798 4.350 -0.000 0.000 0.266 180 E C -0.844 175.824 176.600 0.113 0.000 0.901 180 E CA -1.243 55.252 56.400 0.158 0.000 0.782 180 E CB 2.180 31.980 29.700 0.166 0.000 1.228 180 E HN 0.322 nan 8.360 nan 0.000 0.424 181 K N 1.959 122.417 120.400 0.096 0.000 2.524 181 K HA -0.073 4.247 4.320 -0.000 0.000 0.279 181 K C -0.730 175.918 176.600 0.081 0.000 0.993 181 K CA -0.349 55.983 56.287 0.075 0.000 1.030 181 K CB 0.504 33.013 32.500 0.014 0.000 0.891 181 K HN 0.607 nan 8.250 nan 0.000 0.488 182 W N 7.526 128.796 121.300 -0.050 0.000 2.356 182 W HA 0.151 4.811 4.660 -0.000 0.000 0.311 182 W C -1.167 175.320 176.519 -0.053 0.000 1.328 182 W CA -0.546 56.768 57.345 -0.052 0.000 1.251 182 W CB 0.207 29.639 29.460 -0.048 0.000 1.280 182 W HN 0.471 nan 8.180 nan 0.000 0.524 183 L N 6.214 127.163 121.223 -0.457 0.000 2.334 183 L HA 0.080 4.420 4.340 -0.000 0.000 0.277 183 L C 1.799 178.472 176.870 -0.328 0.000 1.075 183 L CA -0.301 54.355 54.840 -0.307 0.000 0.804 183 L CB 1.576 43.480 42.059 -0.258 0.000 1.174 183 L HN 0.583 nan 8.230 nan 0.000 0.438 184 S N 1.236 116.891 115.700 -0.076 0.000 2.402 184 S HA 0.120 4.590 4.470 -0.000 0.000 0.229 184 S C 0.952 175.544 174.600 -0.014 0.000 1.021 184 S CA 0.334 58.547 58.200 0.021 0.000 0.974 184 S CB -0.306 62.931 63.200 0.063 0.000 0.800 184 S HN 1.180 nan 8.310 nan 0.000 0.484 185 G N 1.403 110.179 108.800 -0.041 0.000 2.685 185 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.387 185 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.387 185 G C -2.950 171.953 174.900 0.006 0.000 1.324 185 G CA -0.579 44.492 45.100 -0.049 0.000 0.878 185 G HN 0.450 nan 8.290 nan 0.000 0.527 186 P HA 0.257 nan 4.420 nan 0.000 0.273 186 P C -0.239 176.791 177.300 -0.449 0.000 1.258 186 P CA 0.162 63.113 63.100 -0.248 0.000 0.802 186 P CB 0.607 32.123 31.700 -0.308 0.000 1.040 187 E N -0.597 119.184 120.200 -0.697 0.000 2.227 187 E HA 0.535 4.885 4.350 -0.000 0.000 0.268 187 E C -1.399 174.633 176.600 -0.946 0.000 0.907 187 E CA -0.533 55.515 56.400 -0.586 0.000 0.786 187 E CB 0.818 30.338 29.700 -0.300 0.000 1.191 187 E HN 0.231 nan 8.360 nan 0.000 0.411 188 F N 0.447 120.401 119.950 0.008 0.000 2.629 188 F HA 0.504 5.031 4.527 -0.000 0.000 0.316 188 F C 0.054 175.850 175.800 -0.007 0.000 1.081 188 F CA -0.752 57.244 58.000 -0.006 0.000 0.954 188 F CB 2.473 41.453 39.000 -0.033 0.000 1.337 188 F HN 0.263 nan 8.300 nan 0.000 0.474 189 T N 1.049 115.724 114.554 0.201 0.000 2.933 189 T HA 0.718 5.068 4.350 -0.000 0.000 0.305 189 T C -2.045 172.700 174.700 0.075 0.000 1.092 189 T CA -0.503 61.669 62.100 0.120 0.000 1.008 189 T CB 1.451 70.394 68.868 0.126 0.000 1.102 189 T HN 0.421 nan 8.240 nan 0.000 0.469 190 V N 3.366 123.293 119.914 0.022 0.000 2.524 190 V HA 0.766 4.886 4.120 -0.000 0.000 0.297 190 V C 0.244 176.309 176.094 -0.049 0.000 1.035 190 V CA -1.000 61.281 62.300 -0.032 0.000 0.867 190 V CB 1.295 33.059 31.823 -0.097 0.000 1.004 190 V HN 1.125 nan 8.190 nan 0.000 0.426 191 A N 6.459 129.255 122.820 -0.041 0.000 2.316 191 A HA 0.895 5.215 4.320 -0.000 0.000 0.284 191 A C -0.449 177.045 177.584 -0.150 0.000 1.115 191 A CA -0.423 51.584 52.037 -0.051 0.000 0.812 191 A CB 0.569 19.589 19.000 0.032 0.000 1.064 191 A HN 0.720 nan 8.150 nan 0.000 0.489 192 I N 1.540 121.963 120.570 -0.245 0.000 2.608 192 I HA 0.410 4.580 4.170 -0.000 0.000 0.295 192 I C -1.263 174.749 176.117 -0.175 0.000 1.049 192 I CA -0.587 60.475 61.300 -0.395 0.000 1.063 192 I CB 1.826 39.199 38.000 -1.045 0.000 1.248 192 I HN 0.536 nan 8.210 nan 0.000 0.424 193 L N 5.623 126.779 121.223 -0.113 0.000 2.485 193 L HA 0.697 5.037 4.340 -0.000 0.000 0.260 193 L C 0.145 177.006 176.870 -0.014 0.000 0.998 193 L CA 0.560 55.400 54.840 0.001 0.000 0.883 193 L CB 0.786 42.837 42.059 -0.014 0.000 1.196 193 L HN 0.958 nan 8.230 nan 0.000 0.443 194 G N 3.690 112.516 108.800 0.044 0.000 2.527 194 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.262 194 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.262 194 G C 0.424 175.344 174.900 0.034 0.000 1.153 194 G CA 0.401 45.533 45.100 0.053 0.000 0.954 194 G HN 0.556 nan 8.290 nan 0.000 0.552 195 E N 1.604 121.810 120.200 0.010 0.000 2.463 195 E HA 0.355 4.705 4.350 -0.000 0.000 0.193 195 E C 0.609 177.181 176.600 -0.045 0.000 1.041 195 E CA 0.702 57.103 56.400 0.003 0.000 0.879 195 E CB 0.319 30.029 29.700 0.017 0.000 0.997 195 E HN 0.523 nan 8.360 nan 0.000 0.478 196 E N 0.447 120.604 120.200 -0.073 0.000 2.212 196 E HA 0.360 4.710 4.350 -0.000 0.000 0.268 196 E C -0.828 175.693 176.600 -0.133 0.000 0.902 196 E CA -1.007 55.341 56.400 -0.086 0.000 0.779 196 E CB 1.124 30.789 29.700 -0.058 0.000 1.172 196 E HN 0.141 nan 8.360 nan 0.000 0.409 197 I N 2.963 123.456 120.570 -0.129 0.000 2.336 197 I HA 0.358 4.528 4.170 -0.000 0.000 0.292 197 I C -0.999 175.059 176.117 -0.097 0.000 0.991 197 I CA -0.604 60.607 61.300 -0.148 0.000 1.227 197 I CB 0.807 38.708 38.000 -0.164 0.000 1.366 197 I HN 0.445 nan 8.210 nan 0.000 0.466 198 L N 7.102 128.276 121.223 -0.083 0.000 2.466 198 L HA 0.472 4.812 4.340 -0.000 0.000 0.257 198 L C -1.804 175.041 176.870 -0.040 0.000 1.189 198 L CA -1.862 52.950 54.840 -0.048 0.000 0.813 198 L CB -0.196 41.846 42.059 -0.027 0.000 1.118 198 L HN 0.493 nan 8.230 nan 0.000 0.471 199 P HA 0.018 nan 4.420 nan 0.000 0.266 199 P C -0.572 176.730 177.300 0.002 0.000 1.195 199 P CA -0.302 62.791 63.100 -0.013 0.000 0.768 199 P CB 0.567 32.268 31.700 0.002 0.000 0.838 200 S N 2.898 118.597 115.700 -0.003 0.000 2.573 200 S HA 0.311 4.781 4.470 -0.000 0.000 0.277 200 S C 0.348 175.009 174.600 0.101 0.000 1.346 200 S CA -0.458 57.757 58.200 0.026 0.000 1.034 200 S CB 0.091 63.276 63.200 -0.026 0.000 0.879 200 S HN 0.353 nan 8.310 nan 0.000 0.528 201 I N 1.126 121.788 120.570 0.153 0.000 2.545 201 I HA 0.450 4.620 4.170 -0.000 0.000 0.292 201 I C 0.076 176.355 176.117 0.271 0.000 1.040 201 I CA -0.680 60.737 61.300 0.195 0.000 1.068 201 I CB 2.110 40.204 38.000 0.157 0.000 1.251 201 I HN 0.670 nan 8.210 nan 0.000 0.424 202 R N 5.790 126.460 120.500 0.283 0.000 2.338 202 R HA 0.648 4.988 4.340 -0.000 0.000 0.317 202 R C -1.388 174.931 176.300 0.033 0.000 0.968 202 R CA -0.537 55.653 56.100 0.150 0.000 0.849 202 R CB 1.051 31.485 30.300 0.224 0.000 1.128 202 R HN 0.470 nan 8.270 nan 0.000 0.448 203 I N 3.062 123.505 120.570 -0.210 0.000 2.428 203 I HA 0.249 4.419 4.170 -0.000 0.000 0.296 203 I C -0.238 175.658 176.117 -0.367 0.000 0.985 203 I CA -0.175 60.897 61.300 -0.380 0.000 1.260 203 I CB 1.807 39.409 38.000 -0.663 0.000 1.389 203 I HN 0.570 nan 8.210 nan 0.000 0.484 204 Q N 6.477 126.038 119.800 -0.397 0.000 2.695 204 Q HA 0.480 4.820 4.340 -0.000 0.000 0.246 204 Q C -2.667 173.168 176.000 -0.275 0.000 0.961 204 Q CA -1.543 54.116 55.803 -0.241 0.000 0.708 204 Q CB 1.528 30.243 28.738 -0.037 0.000 1.282 204 Q HN 0.279 nan 8.270 nan 0.000 0.482 205 P HA 0.107 nan 4.420 nan 0.000 0.274 205 P C 0.066 177.322 177.300 -0.074 0.000 1.237 205 P CA -0.159 62.857 63.100 -0.139 0.000 0.793 205 P CB 1.391 33.054 31.700 -0.062 0.000 0.977 206 S N 0.089 115.758 115.700 -0.052 0.000 2.406 206 S HA 0.078 4.548 4.470 -0.000 0.000 0.224 206 S C 1.306 175.904 174.600 -0.002 0.000 1.030 206 S CA 0.696 58.881 58.200 -0.026 0.000 0.958 206 S CB -1.069 62.117 63.200 -0.023 0.000 0.811 206 S HN 0.544 nan 8.310 nan 0.000 0.489 207 G N 1.173 109.972 108.800 -0.002 0.000 2.630 207 G HA2 0.385 4.345 3.960 -0.000 0.000 0.223 207 G HA3 0.385 4.345 3.960 -0.000 0.000 0.223 207 G C 0.906 175.858 174.900 0.087 0.000 1.434 207 G CA 0.332 45.447 45.100 0.024 0.000 1.057 207 G HN 0.256 nan 8.290 nan 0.000 0.570 208 T N -0.121 114.520 114.554 0.145 0.000 2.684 208 T HA 0.015 4.365 4.350 -0.000 0.000 0.267 208 T C 0.440 175.471 174.700 0.552 0.000 1.036 208 T CA 1.995 64.287 62.100 0.320 0.000 1.148 208 T CB -0.476 68.627 68.868 0.391 0.000 0.863 208 T HN 0.589 nan 8.240 nan 0.000 0.436 209 F N -2.326 117.754 119.950 0.217 0.000 2.745 209 F HA 0.551 5.078 4.527 -0.000 0.000 0.316 209 F C -1.155 174.750 175.800 0.175 0.000 1.155 209 F CA -2.579 55.542 58.000 0.201 0.000 0.937 209 F CB 0.480 39.632 39.000 0.254 0.000 1.361 209 F HN -0.230 nan 8.300 nan 0.000 0.472 210 Y N 3.728 123.984 120.300 -0.074 0.000 2.619 210 Y HA 0.211 4.761 4.550 0.000 0.000 0.339 210 Y C 0.098 175.788 175.900 -0.350 0.000 1.224 210 Y CA -1.258 56.725 58.100 -0.195 0.000 1.946 210 Y CB -1.582 36.834 38.460 -0.074 0.000 1.957 210 Y HN 0.670 nan 8.280 nan 0.000 0.421 211 D N -0.044 120.002 120.400 -0.591 0.000 2.414 211 D HA -0.060 4.580 4.640 -0.000 0.000 0.259 211 D C 1.376 177.486 176.300 -0.315 0.000 1.269 211 D CA -0.306 53.343 54.000 -0.585 0.000 1.028 211 D CB 0.075 40.461 40.800 -0.691 0.000 1.093 211 D HN 0.357 nan 8.370 nan 0.000 0.545 212 Y N -0.408 119.755 120.300 -0.229 0.000 2.081 212 Y HA -0.271 4.279 4.550 -0.000 0.000 0.280 212 Y C 2.389 178.217 175.900 -0.120 0.000 1.163 212 Y CA 2.650 60.691 58.100 -0.097 0.000 1.135 212 Y CB -0.079 38.404 38.460 0.038 0.000 0.970 212 Y HN 0.652 nan 8.280 nan 0.000 0.498 213 E N -0.263 119.990 120.200 0.088 0.000 2.085 213 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 213 E C 2.165 178.690 176.600 -0.126 0.000 0.994 213 E CA 1.155 57.563 56.400 0.013 0.000 0.801 213 E CB -0.360 29.361 29.700 0.036 0.000 0.743 213 E HN 0.544 nan 8.360 nan 0.000 0.453 214 A N 0.626 123.347 122.820 -0.165 0.000 2.067 214 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 214 A C 1.922 179.422 177.584 -0.140 0.000 1.158 214 A CA 1.197 53.176 52.037 -0.097 0.000 0.661 214 A CB -0.151 18.841 19.000 -0.014 0.000 0.801 214 A HN 0.136 nan 8.150 nan 0.000 0.452 215 K N -1.779 118.278 120.400 -0.571 0.000 2.098 215 K HA 0.089 4.409 4.320 -0.000 0.000 0.203 215 K C 0.737 176.718 176.600 -1.032 0.000 1.051 215 K CA 1.300 56.981 56.287 -1.010 0.000 0.957 215 K CB -0.041 31.359 32.500 -1.833 0.000 0.738 215 K HN 0.534 nan 8.250 nan 0.000 0.447 216 F N -1.012 118.680 119.950 -0.429 0.000 2.789 216 F HA 0.160 4.687 4.527 0.000 0.000 0.320 216 F C 1.320 176.701 175.800 -0.697 0.000 1.079 216 F CA -0.086 57.558 58.000 -0.593 0.000 1.205 216 F CB 0.386 39.033 39.000 -0.589 0.000 1.046 216 F HN -0.162 nan 8.300 nan 0.000 0.586 217 L N -0.744 120.313 121.223 -0.277 0.000 2.577 217 L HA 0.263 4.603 4.340 -0.000 0.000 0.225 217 L C 1.003 177.840 176.870 -0.056 0.000 1.053 217 L CA 0.605 55.356 54.840 -0.149 0.000 0.866 217 L CB -0.871 41.182 42.059 -0.010 0.000 1.132 217 L HN 0.093 nan 8.230 nan 0.000 0.486 218 S N -1.107 114.584 115.700 -0.014 0.000 2.617 218 S HA 0.305 4.775 4.470 -0.000 0.000 0.283 218 S C 0.306 174.992 174.600 0.142 0.000 1.189 218 S CA -0.569 57.663 58.200 0.054 0.000 1.036 218 S CB 1.819 65.032 63.200 0.022 0.000 1.014 218 S HN 0.135 nan 8.310 nan 0.000 0.522 219 D N 0.861 121.329 120.400 0.114 0.000 2.342 219 D HA 0.115 4.755 4.640 -0.000 0.000 0.221 219 D C 0.793 177.125 176.300 0.052 0.000 1.101 219 D CA 0.204 54.270 54.000 0.110 0.000 0.837 219 D CB 0.313 41.161 40.800 0.079 0.000 0.938 219 D HN 0.720 nan 8.370 nan 0.000 0.508 220 E N 0.279 120.496 120.200 0.028 0.000 2.385 220 E HA -0.001 4.349 4.350 -0.000 0.000 0.194 220 E C 0.195 176.754 176.600 -0.069 0.000 1.013 220 E CA 0.387 56.779 56.400 -0.014 0.000 0.866 220 E CB 0.442 30.135 29.700 -0.013 0.000 0.832 220 E HN 0.040 nan 8.360 nan 0.000 0.500 221 T N 2.115 116.618 114.554 -0.085 0.000 2.888 221 T HA 0.092 4.442 4.350 -0.000 0.000 0.301 221 T C -0.005 174.408 174.700 -0.478 0.000 1.001 221 T CA 0.242 62.173 62.100 -0.282 0.000 1.147 221 T CB 0.924 69.628 68.868 -0.273 0.000 0.931 221 T HN 0.029 nan 8.240 nan 0.000 0.541 222 Q N 1.622 121.077 119.800 -0.575 0.000 2.266 222 Q HA 0.549 4.888 4.340 -0.000 0.000 0.261 222 Q C -1.296 174.186 176.000 -0.864 0.000 0.985 222 Q CA -0.758 54.700 55.803 -0.575 0.000 0.873 222 Q CB 1.541 30.070 28.738 -0.348 0.000 1.306 222 Q HN 0.655 nan 8.270 nan 0.000 0.447 223 Y N 0.339 120.352 120.300 -0.477 0.000 2.524 223 Y HA 0.562 5.112 4.550 0.000 0.000 0.347 223 Y C -1.008 174.537 175.900 -0.591 0.000 1.005 223 Y CA -0.989 56.905 58.100 -0.344 0.000 1.025 223 Y CB 1.384 39.729 38.460 -0.191 0.000 1.275 223 Y HN 0.455 nan 8.280 nan 0.000 0.460 224 F N 1.567 121.585 119.950 0.115 0.000 2.539 224 F HA 0.558 5.085 4.527 0.000 0.000 0.328 224 F C -0.663 175.192 175.800 0.091 0.000 1.148 224 F CA -0.864 57.185 58.000 0.082 0.000 0.940 224 F CB 1.676 40.709 39.000 0.057 0.000 1.194 224 F HN 0.492 nan 8.300 nan 0.000 0.438 225 C N 6.979 126.397 119.300 0.197 0.000 2.442 225 C HA 0.611 5.071 4.460 -0.000 0.000 0.335 225 C C -2.214 172.836 174.990 0.100 0.000 1.134 225 C CA -1.760 57.337 59.018 0.132 0.000 1.344 225 C CB 0.302 28.090 27.740 0.080 0.000 1.956 225 C HN 0.679 nan 8.230 nan 0.000 0.438 226 P HA 0.201 nan 4.420 nan 0.000 0.273 226 P C 0.659 178.042 177.300 0.140 0.000 1.250 226 P CA 0.156 63.310 63.100 0.091 0.000 0.793 226 P CB 0.749 32.478 31.700 0.049 0.000 1.011 227 A N 1.097 123.998 122.820 0.135 0.000 1.958 227 A HA -0.031 4.289 4.320 -0.000 0.000 0.221 227 A C 1.701 179.369 177.584 0.139 0.000 1.178 227 A CA 2.431 54.585 52.037 0.195 0.000 0.642 227 A CB -1.694 17.393 19.000 0.144 0.000 0.816 227 A HN 0.924 nan 8.150 nan 0.000 0.453 228 G N -3.496 105.346 108.800 0.069 0.000 2.144 228 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.218 228 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.218 228 G C -0.169 174.735 174.900 0.007 0.000 0.988 228 G CA 0.131 45.243 45.100 0.021 0.000 0.659 228 G HN 0.417 nan 8.290 nan 0.000 0.522 229 L N 1.358 122.586 121.223 0.008 0.000 2.399 229 L HA 0.496 4.836 4.340 -0.000 0.000 0.266 229 L C 1.007 177.869 176.870 -0.014 0.000 1.114 229 L CA -0.564 54.271 54.840 -0.009 0.000 0.804 229 L CB 0.633 42.670 42.059 -0.036 0.000 1.146 229 L HN 0.305 nan 8.230 nan 0.000 0.451 230 E N 0.980 121.170 120.200 -0.017 0.000 2.398 230 E HA 0.124 4.474 4.350 -0.000 0.000 0.263 230 E C 0.823 177.413 176.600 -0.017 0.000 1.046 230 E CA 0.234 56.624 56.400 -0.017 0.000 0.908 230 E CB 0.590 30.277 29.700 -0.021 0.000 0.963 230 E HN 0.705 nan 8.360 nan 0.000 0.431 231 A N 2.758 125.568 122.820 -0.017 0.000 1.971 231 A HA -0.296 4.024 4.320 -0.000 0.000 0.222 231 A C 2.252 179.826 177.584 -0.018 0.000 1.182 231 A CA 2.410 54.436 52.037 -0.018 0.000 0.649 231 A CB -0.694 18.296 19.000 -0.016 0.000 0.818 231 A HN 0.598 nan 8.150 nan 0.000 0.458 232 S N -1.049 114.641 115.700 -0.017 0.000 2.370 232 S HA -0.245 4.225 4.470 -0.000 0.000 0.226 232 S C 2.152 176.751 174.600 -0.002 0.000 1.033 232 S CA 1.875 60.066 58.200 -0.015 0.000 1.011 232 S CB -0.319 62.868 63.200 -0.021 0.000 0.852 232 S HN 0.739 nan 8.310 nan 0.000 0.457 233 Q N -0.251 119.551 119.800 0.003 0.000 2.123 233 Q HA -0.027 4.313 4.340 -0.000 0.000 0.196 233 Q C 2.178 178.220 176.000 0.069 0.000 0.958 233 Q CA 1.242 57.081 55.803 0.061 0.000 0.841 233 Q CB -0.219 28.531 28.738 0.020 0.000 0.915 233 Q HN 0.499 nan 8.270 nan 0.000 0.455 234 E N 1.350 121.544 120.200 -0.009 0.000 2.118 234 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 234 E C 1.706 178.265 176.600 -0.069 0.000 0.992 234 E CA 1.458 57.821 56.400 -0.062 0.000 0.804 234 E CB -0.167 29.501 29.700 -0.052 0.000 0.741 234 E HN 0.330 nan 8.360 nan 0.000 0.458 235 A N 0.590 123.387 122.820 -0.038 0.000 1.873 235 A HA -0.181 4.139 4.320 -0.000 0.000 0.215 235 A C 2.034 179.592 177.584 -0.043 0.000 1.186 235 A CA 1.667 53.679 52.037 -0.040 0.000 0.616 235 A CB -0.742 18.242 19.000 -0.026 0.000 0.823 235 A HN 0.293 nan 8.150 nan 0.000 0.442 236 N N 0.088 118.787 118.700 -0.001 0.000 2.166 236 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 236 N C 1.610 177.086 175.510 -0.056 0.000 1.019 236 N CA 1.022 54.089 53.050 0.029 0.000 0.856 236 N CB -0.498 38.072 38.487 0.138 0.000 0.993 236 N HN 0.506 nan 8.380 nan 0.000 0.426 237 L N 0.984 122.094 121.223 -0.187 0.000 1.994 237 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 237 L C 2.112 178.789 176.870 -0.322 0.000 1.071 237 L CA 1.505 56.033 54.840 -0.520 0.000 0.745 237 L CB -0.268 41.415 42.059 -0.627 0.000 0.892 237 L HN 0.274 nan 8.230 nan 0.000 0.431 238 Q N -0.749 118.924 119.800 -0.211 0.000 2.084 238 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 238 Q C 2.250 178.177 176.000 -0.123 0.000 0.978 238 Q CA 1.596 57.306 55.803 -0.155 0.000 0.844 238 Q CB -0.258 28.411 28.738 -0.115 0.000 0.898 238 Q HN 0.622 nan 8.270 nan 0.000 0.426 239 A N 1.040 123.798 122.820 -0.102 0.000 1.883 239 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 239 A C 2.066 179.598 177.584 -0.088 0.000 1.186 239 A CA 1.382 53.375 52.037 -0.074 0.000 0.624 239 A CB -0.687 18.281 19.000 -0.054 0.000 0.822 239 A HN 0.355 nan 8.150 nan 0.000 0.444 240 L N -0.203 120.944 121.223 -0.127 0.000 1.994 240 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 240 L C 2.381 179.144 176.870 -0.179 0.000 1.071 240 L CA 2.008 56.752 54.840 -0.160 0.000 0.745 240 L CB -0.756 41.183 42.059 -0.199 0.000 0.892 240 L HN 0.131 nan 8.230 nan 0.000 0.431 241 V N -0.538 119.264 119.914 -0.187 0.000 2.343 241 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 241 V C 2.574 178.644 176.094 -0.039 0.000 1.051 241 V CA 1.792 64.005 62.300 -0.144 0.000 1.036 241 V CB -0.471 31.254 31.823 -0.163 0.000 0.654 241 V HN 0.483 nan 8.190 nan 0.000 0.451 242 L N -0.055 121.142 121.223 -0.044 0.000 2.046 242 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 242 L C 2.413 179.344 176.870 0.101 0.000 1.077 242 L CA 1.939 56.799 54.840 0.034 0.000 0.747 242 L CB -0.576 41.480 42.059 -0.006 0.000 0.896 242 L HN 0.271 nan 8.230 nan 0.000 0.432 243 K N -0.936 119.477 120.400 0.022 0.000 2.097 243 K HA -0.060 4.260 4.320 -0.000 0.000 0.205 243 K C 2.086 178.711 176.600 0.041 0.000 1.050 243 K CA 1.160 57.462 56.287 0.025 0.000 0.938 243 K CB -0.390 32.094 32.500 -0.026 0.000 0.718 243 K HN 0.386 nan 8.250 nan 0.000 0.442 244 A N 1.844 124.643 122.820 -0.035 0.000 1.902 244 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 244 A C 1.933 179.693 177.584 0.293 0.000 1.181 244 A CA 1.068 53.062 52.037 -0.073 0.000 0.623 244 A CB -0.928 17.827 19.000 -0.409 0.000 0.818 244 A HN 0.610 nan 8.150 nan 0.000 0.443 245 W N 1.583 122.918 121.300 0.058 0.000 2.354 245 W HA -0.230 4.430 4.660 -0.000 0.000 0.315 245 W C 2.397 178.968 176.519 0.086 0.000 1.206 245 W CA 2.889 60.285 57.345 0.087 0.000 1.290 245 W CB -0.550 28.931 29.460 0.034 0.000 1.152 245 W HN 0.504 nan 8.180 nan 0.000 0.489 246 T N -1.995 112.675 114.554 0.194 0.000 2.867 246 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 246 T C 1.648 176.360 174.700 0.021 0.000 1.057 246 T CA 1.981 64.114 62.100 0.055 0.000 1.136 246 T CB -0.910 68.026 68.868 0.114 0.000 0.874 246 T HN -0.021 nan 8.240 nan 0.000 0.466 247 T N 2.062 116.669 114.554 0.089 0.000 2.788 247 T HA 0.055 4.405 4.350 -0.000 0.000 0.268 247 T C 1.675 176.410 174.700 0.059 0.000 1.044 247 T CA 0.939 63.100 62.100 0.102 0.000 1.139 247 T CB -0.438 68.547 68.868 0.195 0.000 0.867 247 T HN 0.141 nan 8.240 nan 0.000 0.454 248 L N 0.391 121.650 121.223 0.060 0.000 2.217 248 L HA 0.232 4.572 4.340 -0.000 0.000 0.211 248 L C 2.026 178.796 176.870 -0.165 0.000 1.107 248 L CA 1.468 56.269 54.840 -0.065 0.000 0.783 248 L CB -0.979 41.050 42.059 -0.050 0.000 0.919 248 L HN 0.537 nan 8.230 nan 0.000 0.442 249 G N -2.276 106.398 108.800 -0.209 0.000 2.132 249 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.234 249 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.234 249 G C 0.559 175.240 174.900 -0.364 0.000 0.989 249 G CA 0.125 45.088 45.100 -0.227 0.000 0.676 249 G HN 0.327 nan 8.290 nan 0.000 0.522 250 C N 0.588 119.482 119.300 -0.676 0.000 2.705 250 C HA 0.673 5.133 4.460 -0.000 0.000 0.382 250 C C 0.791 175.302 174.990 -0.799 0.000 1.322 250 C CA 0.709 59.152 59.018 -0.957 0.000 2.290 250 C CB 0.658 27.331 27.740 -1.779 0.000 2.650 250 C HN 0.939 nan 8.230 nan 0.000 0.695 251 K N 0.276 120.481 120.400 -0.325 0.000 2.615 251 K HA 0.640 4.960 4.320 -0.000 0.000 0.291 251 K C 0.213 177.010 176.600 0.328 0.000 1.017 251 K CA -0.066 56.318 56.287 0.160 0.000 0.882 251 K CB 0.767 33.294 32.500 0.046 0.000 1.522 251 K HN 1.221 nan 8.250 nan 0.000 0.412 252 G N 0.177 109.185 108.800 0.346 0.000 4.951 252 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.295 252 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.295 252 G C -0.838 174.336 174.900 0.457 0.000 1.540 252 G CA 0.413 45.705 45.100 0.319 0.000 1.044 252 G HN 1.290 nan 8.290 nan 0.000 0.731 253 W N 0.886 122.314 121.300 0.213 0.000 3.137 253 W HA 0.727 5.387 4.660 -0.000 0.000 0.324 253 W C 0.132 176.825 176.519 0.291 0.000 1.253 253 W CA -0.523 56.903 57.345 0.135 0.000 1.183 253 W CB 0.634 30.114 29.460 0.033 0.000 1.424 253 W HN 1.938 nan 8.180 nan 0.000 0.566 254 G N 1.217 110.087 108.800 0.118 0.000 2.342 254 G HA2 0.558 4.518 3.960 -0.000 0.000 0.297 254 G HA3 0.558 4.518 3.960 -0.000 0.000 0.297 254 G C -2.264 172.626 174.900 -0.016 0.000 1.313 254 G CA -1.242 43.871 45.100 0.023 0.000 0.830 254 G HN 0.648 nan 8.290 nan 0.000 0.506 255 R N -0.230 120.300 120.500 0.051 0.000 2.515 255 R HA 0.474 4.814 4.340 -0.000 0.000 0.278 255 R C -1.275 175.089 176.300 0.106 0.000 1.107 255 R CA -0.655 55.473 56.100 0.047 0.000 0.945 255 R CB 1.443 31.776 30.300 0.054 0.000 1.219 255 R HN 0.488 nan 8.270 nan 0.000 0.434 256 I N 3.152 123.777 120.570 0.091 0.000 2.359 256 I HA 0.264 4.434 4.170 -0.000 0.000 0.294 256 I C -0.450 175.718 176.117 0.085 0.000 0.987 256 I CA -0.780 60.593 61.300 0.123 0.000 1.225 256 I CB 1.783 39.847 38.000 0.108 0.000 1.366 256 I HN 0.363 nan 8.210 nan 0.000 0.466 257 D N 6.198 126.666 120.400 0.114 0.000 2.232 257 D HA 0.512 5.151 4.640 -0.000 0.000 0.242 257 D C -0.457 175.895 176.300 0.086 0.000 1.093 257 D CA -0.067 53.998 54.000 0.108 0.000 0.845 257 D CB 2.214 43.090 40.800 0.127 0.000 1.124 257 D HN 0.071 nan 8.370 nan 0.000 0.467 258 V N 1.698 121.670 119.914 0.097 0.000 3.007 258 V HA 0.604 4.724 4.120 -0.000 0.000 0.311 258 V C -0.123 176.113 176.094 0.237 0.000 1.120 258 V CA -0.854 61.513 62.300 0.112 0.000 0.980 258 V CB 2.299 34.115 31.823 -0.012 0.000 1.033 258 V HN 0.434 nan 8.190 nan 0.000 0.429 259 M N 2.653 122.426 119.600 0.288 0.000 2.484 259 M HA 0.557 5.037 4.480 -0.000 0.000 0.289 259 M C -1.411 175.150 176.300 0.435 0.000 1.206 259 M CA -0.432 55.052 55.300 0.308 0.000 0.892 259 M CB 2.727 35.385 32.600 0.095 0.000 1.712 259 M HN 0.449 nan 8.290 nan 0.000 0.462 260 L N 1.181 122.658 121.223 0.423 0.000 2.421 260 L HA 0.455 4.795 4.340 -0.000 0.000 0.263 260 L C -0.566 176.415 176.870 0.186 0.000 1.122 260 L CA -0.017 55.002 54.840 0.298 0.000 0.804 260 L CB 1.047 43.261 42.059 0.259 0.000 1.150 260 L HN 0.604 nan 8.230 nan 0.000 0.457 261 D N -1.368 119.134 120.400 0.171 0.000 2.531 261 D HA 0.196 4.836 4.640 -0.000 0.000 0.244 261 D C 0.670 177.017 176.300 0.079 0.000 1.090 261 D CA -0.237 53.834 54.000 0.118 0.000 0.989 261 D CB 1.854 42.737 40.800 0.139 0.000 1.433 261 D HN 0.421 nan 8.370 nan 0.000 0.492 262 S N 0.104 115.837 115.700 0.056 0.000 2.488 262 S HA -0.219 4.251 4.470 -0.000 0.000 0.246 262 S C 0.834 175.456 174.600 0.036 0.000 0.992 262 S CA 1.416 59.640 58.200 0.041 0.000 0.963 262 S CB -0.391 62.832 63.200 0.039 0.000 0.754 262 S HN 0.571 nan 8.310 nan 0.000 0.519 263 D N -0.024 120.411 120.400 0.058 0.000 2.328 263 D HA 0.301 4.940 4.640 -0.000 0.000 0.221 263 D C 1.351 177.650 176.300 -0.001 0.000 1.072 263 D CA 0.376 54.401 54.000 0.042 0.000 0.850 263 D CB -0.731 40.118 40.800 0.081 0.000 0.922 263 D HN 0.487 nan 8.370 nan 0.000 0.516 264 G N -0.142 108.644 108.800 -0.023 0.000 2.168 264 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.263 264 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.263 264 G C 0.077 174.843 174.900 -0.223 0.000 0.977 264 G CA 0.273 45.307 45.100 -0.109 0.000 0.659 264 G HN 0.478 nan 8.290 nan 0.000 0.533 265 Q N -1.066 118.642 119.800 -0.154 0.000 2.205 265 Q HA 0.671 5.011 4.340 -0.000 0.000 0.249 265 Q C -0.410 175.415 176.000 -0.291 0.000 0.948 265 Q CA -0.802 54.833 55.803 -0.279 0.000 0.895 265 Q CB 0.973 29.558 28.738 -0.254 0.000 1.249 265 Q HN 0.151 nan 8.270 nan 0.000 0.458 266 F N 0.927 120.730 119.950 -0.246 0.000 2.384 266 F HA 0.324 4.851 4.527 0.000 0.000 0.338 266 F C -0.511 175.033 175.800 -0.425 0.000 1.103 266 F CA -0.279 57.608 58.000 -0.190 0.000 1.157 266 F CB 0.557 39.451 39.000 -0.177 0.000 1.167 266 F HN 0.336 nan 8.300 nan 0.000 0.529 267 Y N 2.440 122.855 120.300 0.192 0.000 2.406 267 Y HA 0.467 5.017 4.550 -0.000 0.000 0.340 267 Y C -0.553 175.356 175.900 0.014 0.000 0.975 267 Y CA -0.972 57.172 58.100 0.073 0.000 1.056 267 Y CB 1.463 39.963 38.460 0.067 0.000 1.210 267 Y HN 0.284 nan 8.280 nan 0.000 0.448 268 L N 4.115 125.366 121.223 0.046 0.000 2.410 268 L HA 0.052 4.392 4.340 -0.000 0.000 0.273 268 L C 0.340 177.286 176.870 0.127 0.000 1.152 268 L CA -0.008 54.775 54.840 -0.096 0.000 0.855 268 L CB 0.442 42.143 42.059 -0.597 0.000 1.129 268 L HN 0.697 nan 8.230 nan 0.000 0.463 269 L N 2.369 123.686 121.223 0.156 0.000 2.265 269 L HA 0.204 4.544 4.340 -0.000 0.000 0.195 269 L C 0.583 177.628 176.870 0.291 0.000 1.083 269 L CA 1.155 56.103 54.840 0.179 0.000 0.798 269 L CB -0.122 42.004 42.059 0.111 0.000 0.989 269 L HN 0.849 nan 8.230 nan 0.000 0.472 270 E N -2.438 117.973 120.200 0.351 0.000 2.427 270 E HA 0.642 4.992 4.350 -0.000 0.000 0.279 270 E C -1.490 175.359 176.600 0.415 0.000 1.120 270 E CA -0.823 55.799 56.400 0.371 0.000 0.869 270 E CB 1.075 30.851 29.700 0.128 0.000 1.393 270 E HN -0.040 nan 8.360 nan 0.000 0.443 271 A N 1.134 124.138 122.820 0.306 0.000 2.355 271 A HA 0.626 4.946 4.320 -0.000 0.000 0.317 271 A C -1.188 176.471 177.584 0.125 0.000 1.094 271 A CA -0.877 51.325 52.037 0.275 0.000 0.764 271 A CB 0.953 20.169 19.000 0.361 0.000 1.230 271 A HN 0.500 nan 8.150 nan 0.000 0.448 272 N N 1.535 120.302 118.700 0.111 0.000 2.392 272 N HA 0.284 5.024 4.740 -0.000 0.000 0.283 272 N C 0.641 176.144 175.510 -0.010 0.000 1.003 272 N CA 0.169 53.238 53.050 0.032 0.000 0.892 272 N CB 1.929 40.425 38.487 0.016 0.000 1.193 272 N HN 0.750 nan 8.380 nan 0.000 0.487 273 T N -2.547 111.969 114.554 -0.063 0.000 3.065 273 T HA 0.039 4.389 4.350 -0.000 0.000 0.252 273 T C 0.822 175.327 174.700 -0.326 0.000 1.099 273 T CA 0.103 62.120 62.100 -0.139 0.000 1.063 273 T CB 0.244 69.053 68.868 -0.098 0.000 0.948 273 T HN 0.301 nan 8.240 nan 0.000 0.506 274 S N 2.505 118.051 115.700 -0.257 0.000 2.293 274 S HA 0.487 4.957 4.470 -0.000 0.000 0.154 274 S C -3.040 171.533 174.600 -0.046 0.000 1.602 274 S CA -1.275 56.776 58.200 -0.249 0.000 1.260 274 S CB 0.444 63.659 63.200 0.026 0.000 1.270 274 S HN 0.056 nan 8.310 nan 0.000 0.416 275 P HA 0.229 nan 4.420 nan 0.000 0.270 275 P C 0.434 177.835 177.300 0.168 0.000 1.223 275 P CA 0.029 63.092 63.100 -0.062 0.000 0.785 275 P CB 0.383 32.043 31.700 -0.067 0.000 0.923 276 G N 1.452 110.268 108.800 0.027 0.000 2.483 276 G HA2 0.333 4.293 3.960 -0.000 0.000 0.248 276 G HA3 0.333 4.293 3.960 -0.000 0.000 0.248 276 G C 0.308 175.395 174.900 0.311 0.000 1.248 276 G CA -0.329 44.818 45.100 0.079 0.000 0.838 276 G HN 0.360 nan 8.290 nan 0.000 0.566 277 M N 1.732 121.554 119.600 0.370 0.000 2.504 277 M HA 0.113 4.593 4.480 -0.000 0.000 0.370 277 M C 1.282 177.743 176.300 0.268 0.000 1.110 277 M CA -0.258 55.288 55.300 0.410 0.000 0.938 277 M CB -0.306 32.605 32.600 0.519 0.000 1.460 277 M HN 0.704 nan 8.290 nan 0.000 0.535 278 T N -0.865 113.804 114.554 0.193 0.000 2.681 278 T HA 0.114 4.464 4.350 -0.000 0.000 0.333 278 T C 1.457 176.189 174.700 0.053 0.000 1.049 278 T CA 0.422 62.586 62.100 0.106 0.000 1.002 278 T CB 0.532 69.488 68.868 0.146 0.000 1.161 278 T HN 0.356 nan 8.240 nan 0.000 0.519 279 S N -1.105 114.616 115.700 0.035 0.000 2.522 279 S HA -0.051 4.419 4.470 -0.000 0.000 0.227 279 S C 1.429 175.975 174.600 -0.090 0.000 0.986 279 S CA 0.246 58.416 58.200 -0.051 0.000 0.929 279 S CB -0.683 62.483 63.200 -0.057 0.000 0.769 279 S HN 0.806 nan 8.310 nan 0.000 0.529 280 H N 0.794 119.866 119.070 0.005 0.000 2.586 280 H HA 0.381 4.937 4.556 -0.000 0.000 0.273 280 H C -0.009 175.305 175.328 -0.024 0.000 0.997 280 H CA -0.067 55.976 56.048 -0.010 0.000 1.177 280 H CB 0.534 30.336 29.762 0.065 0.000 1.471 280 H HN 0.365 nan 8.280 nan 0.000 0.538 281 S N 0.811 116.578 115.700 0.112 0.000 2.580 281 S HA 0.099 4.569 4.470 -0.000 0.000 0.274 281 S C 1.694 176.317 174.600 0.038 0.000 1.329 281 S CA -0.469 57.800 58.200 0.114 0.000 1.036 281 S CB 1.422 64.736 63.200 0.189 0.000 0.919 281 S HN 0.225 nan 8.310 nan 0.000 0.515 282 L N 2.295 123.563 121.223 0.075 0.000 2.072 282 L HA -0.074 4.266 4.340 -0.000 0.000 0.205 282 L C 2.296 179.218 176.870 0.086 0.000 1.079 282 L CA 0.782 55.660 54.840 0.063 0.000 0.752 282 L CB -0.685 41.449 42.059 0.125 0.000 0.906 282 L HN 0.510 nan 8.230 nan 0.000 0.436 283 V N 0.227 120.229 119.914 0.147 0.000 2.287 283 V HA -0.189 3.930 4.120 -0.000 0.000 0.248 283 V C -0.148 176.033 176.094 0.145 0.000 1.053 283 V CA 2.099 64.505 62.300 0.176 0.000 1.027 283 V CB -1.568 30.442 31.823 0.312 0.000 0.646 283 V HN 0.327 nan 8.190 nan 0.000 0.447 284 P HA -0.127 nan 4.420 nan 0.000 0.218 284 P C 1.956 179.309 177.300 0.088 0.000 1.149 284 P CA 1.434 64.645 63.100 0.185 0.000 0.817 284 P CB -0.062 31.815 31.700 0.296 0.000 0.785 285 M N -1.175 118.443 119.600 0.029 0.000 2.086 285 M HA -0.148 4.332 4.480 -0.000 0.000 0.261 285 M C 2.014 178.315 176.300 0.003 0.000 1.067 285 M CA 2.003 57.287 55.300 -0.027 0.000 1.116 285 M CB -0.541 32.001 32.600 -0.098 0.000 1.348 285 M HN -0.095 nan 8.290 nan 0.000 0.407 286 A N -0.046 122.789 122.820 0.024 0.000 1.873 286 A HA -0.063 4.257 4.320 -0.000 0.000 0.215 286 A C 2.251 179.845 177.584 0.017 0.000 1.186 286 A CA 1.820 53.871 52.037 0.024 0.000 0.616 286 A CB -1.029 17.990 19.000 0.032 0.000 0.823 286 A HN 0.547 nan 8.150 nan 0.000 0.442 287 A N -0.261 122.572 122.820 0.022 0.000 1.902 287 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 287 A C 2.175 179.763 177.584 0.007 0.000 1.181 287 A CA 2.119 54.160 52.037 0.006 0.000 0.623 287 A CB -0.463 18.534 19.000 -0.005 0.000 0.818 287 A HN 0.481 nan 8.150 nan 0.000 0.443 288 R N -0.395 120.117 120.500 0.019 0.000 2.083 288 R HA -0.213 4.127 4.340 -0.000 0.000 0.237 288 R C 2.351 178.655 176.300 0.006 0.000 1.137 288 R CA 2.188 58.297 56.100 0.015 0.000 0.951 288 R CB -0.550 29.758 30.300 0.013 0.000 0.851 288 R HN 0.532 nan 8.270 nan 0.000 0.434 289 Q N -0.146 119.657 119.800 0.006 0.000 2.170 289 Q HA 0.003 4.343 4.340 -0.000 0.000 0.203 289 Q C 1.334 177.336 176.000 0.003 0.000 0.976 289 Q CA 1.920 57.727 55.803 0.006 0.000 0.858 289 Q CB -0.327 28.419 28.738 0.013 0.000 0.907 289 Q HN 0.426 nan 8.270 nan 0.000 0.433 290 A N -1.027 121.793 122.820 -0.001 0.000 2.276 290 A HA 0.434 4.754 4.320 -0.000 0.000 0.212 290 A C 1.436 179.015 177.584 -0.009 0.000 1.230 290 A CA 0.679 52.712 52.037 -0.007 0.000 0.844 290 A CB -0.889 18.104 19.000 -0.013 0.000 0.860 290 A HN 0.677 nan 8.150 nan 0.000 0.486 291 G N -1.585 107.212 108.800 -0.004 0.000 2.179 291 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 291 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 291 G C 0.198 175.094 174.900 -0.006 0.000 0.977 291 G CA 0.610 45.708 45.100 -0.005 0.000 0.641 291 G HN 0.459 nan 8.290 nan 0.000 0.533 292 M N 1.369 120.964 119.600 -0.008 0.000 2.342 292 M HA 0.530 5.010 4.480 -0.000 0.000 0.332 292 M C 1.079 177.380 176.300 0.002 0.000 1.166 292 M CA -0.121 55.171 55.300 -0.014 0.000 1.086 292 M CB 1.569 34.150 32.600 -0.032 0.000 1.541 292 M HN 0.424 nan 8.290 nan 0.000 0.462 293 S N 0.529 116.231 115.700 0.003 0.000 2.672 293 S HA 0.299 4.769 4.470 -0.000 0.000 0.276 293 S C 0.586 175.217 174.600 0.051 0.000 1.207 293 S CA -0.744 57.478 58.200 0.038 0.000 1.002 293 S CB 0.707 63.927 63.200 0.033 0.000 0.998 293 S HN 0.707 nan 8.310 nan 0.000 0.542 294 F N 1.633 121.566 119.950 -0.028 0.000 2.161 294 F HA -0.096 4.431 4.527 -0.000 0.000 0.300 294 F C 2.742 178.519 175.800 -0.037 0.000 1.089 294 F CA 1.994 59.975 58.000 -0.031 0.000 1.282 294 F CB -0.661 38.320 39.000 -0.032 0.000 1.010 294 F HN 0.705 nan 8.300 nan 0.000 0.485 295 S N -0.345 115.383 115.700 0.048 0.000 2.356 295 S HA -0.244 4.226 4.470 -0.000 0.000 0.223 295 S C 2.023 176.559 174.600 -0.107 0.000 1.032 295 S CA 1.650 59.833 58.200 -0.028 0.000 1.005 295 S CB -0.370 62.847 63.200 0.027 0.000 0.867 295 S HN 0.602 nan 8.310 nan 0.000 0.449 296 Q N 0.086 119.838 119.800 -0.079 0.000 2.061 296 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 296 Q C 2.271 178.191 176.000 -0.133 0.000 0.984 296 Q CA 1.757 57.510 55.803 -0.084 0.000 0.846 296 Q CB -0.418 28.287 28.738 -0.055 0.000 0.902 296 Q HN 0.542 nan 8.270 nan 0.000 0.421 297 L N 0.221 121.329 121.223 -0.191 0.000 1.989 297 L HA -0.172 4.168 4.340 -0.000 0.000 0.211 297 L C 2.159 178.845 176.870 -0.306 0.000 1.071 297 L CA 1.606 56.299 54.840 -0.245 0.000 0.749 297 L CB -0.664 41.221 42.059 -0.290 0.000 0.890 297 L HN -0.013 nan 8.230 nan 0.000 0.431 298 V N -0.864 118.808 119.914 -0.403 0.000 2.287 298 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 298 V C 2.578 178.623 176.094 -0.081 0.000 1.053 298 V CA 1.763 63.898 62.300 -0.276 0.000 1.027 298 V CB -0.672 30.916 31.823 -0.392 0.000 0.646 298 V HN 0.397 nan 8.190 nan 0.000 0.447 299 V N -0.049 119.805 119.914 -0.100 0.000 2.392 299 V HA -0.274 3.846 4.120 -0.000 0.000 0.249 299 V C 2.649 178.705 176.094 -0.063 0.000 1.059 299 V CA 2.350 64.623 62.300 -0.046 0.000 1.051 299 V CB -0.737 31.060 31.823 -0.044 0.000 0.658 299 V HN 0.490 nan 8.190 nan 0.000 0.455 300 R N 0.399 120.835 120.500 -0.105 0.000 2.075 300 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 300 R C 1.992 178.198 176.300 -0.156 0.000 1.126 300 R CA 1.712 57.745 56.100 -0.112 0.000 0.963 300 R CB -0.688 29.543 30.300 -0.115 0.000 0.858 300 R HN 0.507 nan 8.270 nan 0.000 0.435 301 I N 0.234 120.650 120.570 -0.256 0.000 2.208 301 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 301 I C 1.983 177.888 176.117 -0.353 0.000 1.097 301 I CA 0.909 61.948 61.300 -0.436 0.000 1.363 301 I CB -0.310 37.150 38.000 -0.900 0.000 1.051 301 I HN 0.191 nan 8.210 nan 0.000 0.413 302 L N 0.756 121.852 121.223 -0.211 0.000 2.141 302 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 302 L C 2.329 179.154 176.870 -0.076 0.000 1.094 302 L CA 1.783 56.556 54.840 -0.112 0.000 0.763 302 L CB -0.625 41.480 42.059 0.078 0.000 0.908 302 L HN 0.189 nan 8.230 nan 0.000 0.437 303 E N -0.539 119.620 120.200 -0.068 0.000 2.153 303 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 303 E C 2.046 178.613 176.600 -0.054 0.000 0.988 303 E CA 1.193 57.564 56.400 -0.048 0.000 0.811 303 E CB -0.198 29.475 29.700 -0.044 0.000 0.746 303 E HN 0.523 nan 8.360 nan 0.000 0.466 304 L N 0.767 121.945 121.223 -0.075 0.000 2.599 304 L HA 0.092 4.432 4.340 -0.000 0.000 0.230 304 L C 1.059 177.888 176.870 -0.068 0.000 1.141 304 L CA -0.553 54.254 54.840 -0.056 0.000 0.877 304 L CB -0.262 41.776 42.059 -0.036 0.000 1.009 304 L HN -0.038 nan 8.230 nan 0.000 0.447 305 A N 1.406 124.171 122.820 -0.092 0.000 2.498 305 A HA 0.295 4.615 4.320 -0.000 0.000 0.239 305 A C -0.116 177.393 177.584 -0.125 0.000 1.068 305 A CA 0.131 52.099 52.037 -0.114 0.000 0.766 305 A CB 0.035 18.985 19.000 -0.083 0.000 1.003 305 A HN 0.436 nan 8.150 nan 0.000 0.497 306 D N 0.000 120.267 120.400 -0.221 0.000 6.856 306 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 306 D CA 0.000 53.878 54.000 -0.204 0.000 0.868 306 D CB 0.000 40.714 40.800 -0.144 0.000 0.688 306 D HN 0.000 nan 8.370 nan 0.000 0.683