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 3abb_1_A DATA FIRST_RESID 11 DATA SEQUENCE SPAPSFPQDR TCPYQPPKAY EERRGESPLT QVTLFDGRPA WLITGHAEGR DATA SEQUENCE ALLVDPRLSS DWGHPDFPVV VXXXXXXXXX AFPLIGVDDP VHARQRRMLI DATA SEQUENCE PSFGVKRMNA IRPRLQSLVD RLLDDMLAKG PGADLVSAFA LPVPSVAICE DATA SEQUENCE LLGVPYGDHD FFEECSRNFV XXXXXXEADA AFGELYTYLH GLVGRKQAEP DATA SEQUENCE EDGLLDELIA RQLEEGDLDH DEVVMIALVL LVAGHETTVN AIALGALTLI DATA SEQUENCE QHPEQIDVLL RDPGAVSGVV EELLRFTSVS DHIVRMAKED IEVGGATIKA DATA SEQUENCE GDAVLVSITL MNRDAKAYEN PDIFDARRNA RHHVGFGHGI HQCLGQNLAR DATA SEQUENCE AELEIALGGL FARIPGLRLA VPLDEVPIKA GHDAQGPIEL PVVWHHHH 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 11 S HA 0.000 nan 4.470 nan 0.000 0.327 11 S C 0.000 174.558 174.600 -0.071 0.000 1.055 11 S CA 0.000 58.152 58.200 -0.079 0.000 1.107 11 S CB 0.000 63.163 63.200 -0.061 0.000 0.593 12 P HA 0.225 nan 4.420 nan 0.000 0.217 12 P C 0.458 177.730 177.300 -0.046 0.000 1.151 12 P CA 0.766 63.835 63.100 -0.051 0.000 0.828 12 P CB 0.021 31.698 31.700 -0.039 0.000 0.788 13 A N 0.359 123.159 122.820 -0.033 0.000 2.320 13 A HA 0.624 4.947 4.320 0.005 0.000 0.334 13 A C -2.623 174.951 177.584 -0.016 0.000 1.147 13 A CA -2.112 49.910 52.037 -0.025 0.000 0.820 13 A CB 0.010 19.002 19.000 -0.014 0.000 1.218 13 A HN -0.098 nan 8.150 nan 0.000 0.482 14 P HA 0.035 nan 4.420 nan 0.000 0.260 14 P C 0.470 177.795 177.300 0.042 0.000 1.185 14 P CA 0.793 63.903 63.100 0.016 0.000 0.763 14 P CB 0.714 32.433 31.700 0.030 0.000 0.776 15 S N 2.167 117.910 115.700 0.072 0.000 2.787 15 S HA 0.291 4.764 4.470 0.005 0.000 0.255 15 S C -0.224 174.484 174.600 0.180 0.000 1.051 15 S CA -0.262 57.997 58.200 0.098 0.000 1.124 15 S CB -0.201 63.050 63.200 0.085 0.000 1.104 15 S HN 0.297 nan 8.310 nan 0.000 0.623 16 F N 3.649 123.616 119.950 0.029 0.000 2.547 16 F HA 0.703 5.233 4.527 0.005 0.000 0.316 16 F C -2.812 173.011 175.800 0.038 0.000 1.121 16 F CA -1.710 56.310 58.000 0.032 0.000 0.911 16 F CB 2.135 41.090 39.000 -0.075 0.000 1.179 16 F HN -0.091 nan 8.300 nan 0.000 0.443 17 P HA 0.319 nan 4.420 nan 0.000 0.281 17 P C -1.827 175.292 177.300 -0.301 0.000 1.281 17 P CA -0.469 62.091 63.100 -0.900 0.000 0.811 17 P CB 1.723 33.025 31.700 -0.663 0.000 1.154 18 Q N -0.067 119.567 119.800 -0.277 0.000 2.394 18 Q HA 0.358 4.701 4.340 0.005 0.000 0.273 18 Q C -1.139 174.641 176.000 -0.367 0.000 1.089 18 Q CA -0.475 55.155 55.803 -0.289 0.000 0.812 18 Q CB 1.118 29.646 28.738 -0.349 0.000 1.353 18 Q HN 0.259 nan 8.270 nan 0.000 0.438 19 D N 1.714 121.965 120.400 -0.249 0.000 2.345 19 D HA 0.164 4.807 4.640 0.005 0.000 0.247 19 D C -0.203 175.943 176.300 -0.256 0.000 1.108 19 D CA 0.013 53.884 54.000 -0.215 0.000 0.894 19 D CB 0.704 41.417 40.800 -0.144 0.000 1.203 19 D HN 0.341 nan 8.370 nan 0.000 0.430 20 R N 0.099 120.465 120.500 -0.223 0.000 2.679 20 R HA 0.116 4.459 4.340 0.005 0.000 0.268 20 R C 1.315 177.514 176.300 -0.169 0.000 1.044 20 R CA 0.208 56.185 56.100 -0.205 0.000 1.105 20 R CB 0.402 30.598 30.300 -0.174 0.000 0.989 20 R HN 0.563 nan 8.270 nan 0.000 0.447 21 T N -2.368 112.088 114.554 -0.163 0.000 3.056 21 T HA -0.002 4.350 4.350 0.005 0.000 0.241 21 T C 1.005 175.609 174.700 -0.160 0.000 1.006 21 T CA -0.158 61.859 62.100 -0.138 0.000 1.115 21 T CB 0.171 68.970 68.868 -0.115 0.000 0.939 21 T HN 0.557 nan 8.240 nan 0.000 0.462 22 C N 3.966 123.150 119.300 -0.193 0.000 2.369 22 C HA 0.578 5.040 4.460 0.005 0.000 0.358 22 C C -1.321 173.457 174.990 -0.354 0.000 1.274 22 C CA -1.975 56.869 59.018 -0.290 0.000 1.935 22 C CB 1.069 28.633 27.740 -0.293 0.000 2.431 22 C HN 0.280 nan 8.230 nan 0.000 0.545 23 P HA -0.077 nan 4.420 nan 0.000 0.218 23 P C 0.072 177.236 177.300 -0.225 0.000 1.148 23 P CA 1.641 64.569 63.100 -0.286 0.000 0.822 23 P CB -0.157 31.419 31.700 -0.206 0.000 0.784 24 Y N -3.776 116.475 120.300 -0.082 0.000 2.706 24 Y HA 0.507 5.059 4.550 0.005 0.000 0.255 24 Y C 0.144 175.837 175.900 -0.345 0.000 1.163 24 Y CA -0.855 57.133 58.100 -0.187 0.000 1.174 24 Y CB -0.183 38.226 38.460 -0.086 0.000 1.200 24 Y HN -0.217 nan 8.280 nan 0.000 0.544 25 Q N 2.778 122.482 119.800 -0.161 0.000 2.365 25 Q HA 0.419 4.762 4.340 0.005 0.000 0.269 25 Q C -2.867 173.061 176.000 -0.121 0.000 1.061 25 Q CA -2.259 53.469 55.803 -0.125 0.000 0.816 25 Q CB 2.580 31.290 28.738 -0.048 0.000 1.325 25 Q HN 0.079 nan 8.270 nan 0.000 0.446 26 P HA 0.128 nan 4.420 nan 0.000 0.269 26 P C -2.432 174.789 177.300 -0.132 0.000 1.215 26 P CA -1.081 61.986 63.100 -0.055 0.000 0.780 26 P CB -0.441 31.312 31.700 0.088 0.000 0.898 27 P HA 0.035 nan 4.420 nan 0.000 0.266 27 P C 0.933 178.135 177.300 -0.164 0.000 1.195 27 P CA -0.016 62.905 63.100 -0.298 0.000 0.768 27 P CB 0.622 31.997 31.700 -0.542 0.000 0.838 28 K N 3.490 123.833 120.400 -0.094 0.000 2.097 28 K HA -0.242 4.081 4.320 0.005 0.000 0.214 28 K C 2.099 178.706 176.600 0.012 0.000 1.052 28 K CA 2.504 58.775 56.287 -0.027 0.000 0.932 28 K CB -1.290 31.194 32.500 -0.027 0.000 0.716 28 K HN 0.557 nan 8.250 nan 0.000 0.455 29 A N -0.616 122.197 122.820 -0.012 0.000 1.978 29 A HA -0.185 4.138 4.320 0.005 0.000 0.220 29 A C 1.938 179.651 177.584 0.215 0.000 1.170 29 A CA 1.552 53.627 52.037 0.064 0.000 0.636 29 A CB -0.735 18.285 19.000 0.034 0.000 0.810 29 A HN 0.330 nan 8.150 nan 0.000 0.448 30 Y N 0.013 120.329 120.300 0.027 0.000 2.163 30 Y HA -0.096 4.456 4.550 0.005 0.000 0.288 30 Y C 2.541 178.476 175.900 0.058 0.000 1.136 30 Y CA 1.031 59.168 58.100 0.061 0.000 1.147 30 Y CB -0.838 37.663 38.460 0.069 0.000 0.987 30 Y HN 0.325 nan 8.280 nan 0.000 0.509 31 E N 0.505 120.829 120.200 0.208 0.000 2.153 31 E HA -0.176 4.177 4.350 0.005 0.000 0.194 31 E C 1.962 178.624 176.600 0.103 0.000 0.988 31 E CA 0.929 57.409 56.400 0.133 0.000 0.811 31 E CB -0.101 29.658 29.700 0.098 0.000 0.746 31 E HN 0.625 nan 8.360 nan 0.000 0.466 32 E N 0.165 120.423 120.200 0.096 0.000 2.077 32 E HA -0.146 4.206 4.350 0.005 0.000 0.193 32 E C 2.064 178.711 176.600 0.078 0.000 0.989 32 E CA 0.570 57.015 56.400 0.074 0.000 0.800 32 E CB 0.042 29.779 29.700 0.060 0.000 0.746 32 E HN -0.004 nan 8.360 nan 0.000 0.452 33 R N 1.056 121.618 120.500 0.103 0.000 2.120 33 R HA -0.038 4.305 4.340 0.005 0.000 0.234 33 R C 1.114 177.453 176.300 0.064 0.000 1.123 33 R CA 0.423 56.573 56.100 0.083 0.000 0.975 33 R CB -0.848 29.510 30.300 0.097 0.000 0.866 33 R HN 0.127 nan 8.270 nan 0.000 0.446 34 R N 1.446 121.990 120.500 0.074 0.000 2.480 34 R HA 0.068 4.410 4.340 0.005 0.000 0.303 34 R C 0.208 176.540 176.300 0.054 0.000 0.985 34 R CA 0.470 56.607 56.100 0.063 0.000 1.051 34 R CB 0.247 30.591 30.300 0.074 0.000 0.935 34 R HN 0.117 nan 8.270 nan 0.000 0.410 35 G N 1.799 110.628 108.800 0.048 0.000 2.531 35 G HA2 0.001 3.964 3.960 0.005 0.000 0.281 35 G HA3 0.001 3.964 3.960 0.005 0.000 0.281 35 G C 0.152 175.076 174.900 0.039 0.000 1.382 35 G CA -0.459 44.666 45.100 0.042 0.000 1.045 35 G HN 0.718 nan 8.290 nan 0.000 0.533 36 E N -0.492 119.728 120.200 0.034 0.000 2.150 36 E HA -0.068 4.285 4.350 0.005 0.000 0.193 36 E C 1.455 178.072 176.600 0.028 0.000 0.985 36 E CA 0.278 56.696 56.400 0.029 0.000 0.814 36 E CB -0.150 29.564 29.700 0.024 0.000 0.752 36 E HN 0.245 nan 8.360 nan 0.000 0.466 37 S N 1.023 116.742 115.700 0.031 0.000 2.568 37 S HA 0.033 4.506 4.470 0.005 0.000 0.282 37 S C -1.707 172.913 174.600 0.033 0.000 1.338 37 S CA -1.110 57.109 58.200 0.031 0.000 1.045 37 S CB 0.928 64.153 63.200 0.042 0.000 0.873 37 S HN 0.014 nan 8.310 nan 0.000 0.516 38 P HA 0.167 nan 4.420 nan 0.000 0.245 38 P C -0.175 177.139 177.300 0.024 0.000 1.212 38 P CA 0.321 63.434 63.100 0.021 0.000 0.774 38 P CB -0.480 31.223 31.700 0.004 0.000 0.999 39 L N -4.488 116.759 121.223 0.040 0.000 2.518 39 L HA 0.833 5.176 4.340 0.005 0.000 0.257 39 L C -1.163 175.784 176.870 0.129 0.000 0.980 39 L CA -0.726 54.158 54.840 0.074 0.000 0.837 39 L CB 2.071 44.168 42.059 0.063 0.000 1.410 39 L HN -0.351 nan 8.230 nan 0.000 0.410 40 T N -0.171 114.463 114.554 0.134 0.000 2.626 40 T HA 0.509 4.862 4.350 0.005 0.000 0.279 40 T C -1.470 173.277 174.700 0.079 0.000 0.983 40 T CA -0.380 61.788 62.100 0.113 0.000 1.059 40 T CB 2.143 71.039 68.868 0.047 0.000 1.396 40 T HN 0.824 nan 8.240 nan 0.000 0.519 41 Q N 0.814 120.582 119.800 -0.055 0.000 2.353 41 Q HA 0.658 5.001 4.340 0.005 0.000 0.268 41 Q C -0.841 175.063 176.000 -0.159 0.000 1.045 41 Q CA -0.927 54.749 55.803 -0.213 0.000 0.811 41 Q CB 2.428 30.956 28.738 -0.351 0.000 1.305 41 Q HN 0.643 nan 8.270 nan 0.000 0.447 42 V N -1.524 118.275 119.914 -0.193 0.000 3.145 42 V HA 0.782 4.905 4.120 0.005 0.000 0.311 42 V C -0.618 175.396 176.094 -0.133 0.000 1.238 42 V CA -0.647 61.584 62.300 -0.115 0.000 1.066 42 V CB 2.208 33.990 31.823 -0.069 0.000 1.144 42 V HN 0.697 nan 8.190 nan 0.000 0.465 43 T N 2.154 116.675 114.554 -0.056 0.000 2.841 43 T HA 0.641 4.994 4.350 0.005 0.000 0.285 43 T C -0.257 174.435 174.700 -0.014 0.000 0.991 43 T CA -0.369 61.688 62.100 -0.073 0.000 0.966 43 T CB 1.184 70.011 68.868 -0.069 0.000 0.962 43 T HN 0.693 nan 8.240 nan 0.000 0.438 44 L N 2.452 123.640 121.223 -0.058 0.000 2.475 44 L HA 0.334 4.677 4.340 0.005 0.000 0.250 44 L C 2.006 178.844 176.870 -0.053 0.000 1.224 44 L CA -0.575 54.264 54.840 -0.003 0.000 0.821 44 L CB 0.081 42.101 42.059 -0.064 0.000 1.141 44 L HN 0.804 nan 8.230 nan 0.000 0.494 45 F N 0.050 119.998 119.950 -0.003 0.000 2.307 45 F HA -0.180 4.351 4.527 0.007 0.000 0.301 45 F C 1.379 177.163 175.800 -0.027 0.000 1.076 45 F CA 0.759 58.748 58.000 -0.018 0.000 1.383 45 F CB -0.665 38.317 39.000 -0.030 0.000 1.055 45 F HN 0.565 nan 8.300 nan 0.000 0.526 46 D N -1.185 118.627 120.400 -0.981 0.000 2.462 46 D HA 0.268 4.911 4.640 0.005 0.000 0.221 46 D C 1.751 177.830 176.300 -0.367 0.000 1.173 46 D CA 0.257 53.834 54.000 -0.705 0.000 0.831 46 D CB 0.034 40.249 40.800 -0.976 0.000 1.001 46 D HN 0.450 nan 8.370 nan 0.000 0.499 47 G N 1.041 109.677 108.800 -0.273 0.000 2.217 47 G HA2 -0.318 3.645 3.960 0.005 0.000 0.246 47 G HA3 -0.318 3.645 3.960 0.005 0.000 0.246 47 G C 0.398 175.187 174.900 -0.185 0.000 0.990 47 G CA -0.103 44.887 45.100 -0.183 0.000 0.627 47 G HN 0.493 nan 8.290 nan 0.000 0.522 48 R N 2.084 122.447 120.500 -0.230 0.000 2.484 48 R HA 0.260 4.602 4.340 0.005 0.000 0.293 48 R C -1.939 174.248 176.300 -0.189 0.000 1.023 48 R CA -0.699 55.283 56.100 -0.197 0.000 1.037 48 R CB 0.388 30.566 30.300 -0.205 0.000 0.951 48 R HN 0.235 nan 8.270 nan 0.000 0.418 49 P HA 0.153 nan 4.420 nan 0.000 0.274 49 P C -1.479 175.651 177.300 -0.283 0.000 1.231 49 P CA -0.192 62.758 63.100 -0.250 0.000 0.790 49 P CB 1.354 32.883 31.700 -0.285 0.000 0.951 50 A N 2.249 124.868 122.820 -0.335 0.000 2.549 50 A HA 0.576 4.899 4.320 0.005 0.000 0.297 50 A C -1.645 175.723 177.584 -0.361 0.000 1.061 50 A CA -0.725 51.130 52.037 -0.303 0.000 0.690 50 A CB 0.823 19.672 19.000 -0.253 0.000 1.287 50 A HN 0.452 nan 8.150 nan 0.000 0.402 51 W N 0.725 121.925 121.300 -0.166 0.000 2.261 51 W HA 0.546 5.209 4.660 0.005 0.000 0.323 51 W C -0.110 176.286 176.519 -0.206 0.000 1.243 51 W CA -0.044 57.211 57.345 -0.150 0.000 1.210 51 W CB 1.273 30.664 29.460 -0.114 0.000 1.149 51 W HN 0.498 nan 8.180 nan 0.000 0.562 52 L N 5.636 126.876 121.223 0.028 0.000 2.294 52 L HA 0.444 4.787 4.340 0.005 0.000 0.283 52 L C -0.684 176.180 176.870 -0.009 0.000 1.015 52 L CA -0.740 54.033 54.840 -0.112 0.000 0.831 52 L CB 0.156 42.087 42.059 -0.213 0.000 1.217 52 L HN 0.178 nan 8.230 nan 0.000 0.420 53 I N 4.695 125.258 120.570 -0.011 0.000 2.452 53 I HA 0.207 4.380 4.170 0.005 0.000 0.287 53 I C 1.294 177.419 176.117 0.014 0.000 1.079 53 I CA 0.203 61.507 61.300 0.007 0.000 1.387 53 I CB 0.579 38.580 38.000 0.002 0.000 1.404 53 I HN 0.796 nan 8.210 nan 0.000 0.522 54 T N 1.077 115.649 114.554 0.030 0.000 2.964 54 T HA 0.149 4.502 4.350 0.005 0.000 0.250 54 T C 0.973 175.719 174.700 0.076 0.000 0.982 54 T CA 0.052 62.183 62.100 0.052 0.000 0.959 54 T CB 0.045 68.943 68.868 0.050 0.000 1.141 54 T HN 0.586 nan 8.240 nan 0.000 0.494 55 G N 1.111 109.946 108.800 0.058 0.000 2.334 55 G HA2 0.284 4.247 3.960 0.005 0.000 0.261 55 G HA3 0.284 4.247 3.960 0.005 0.000 0.261 55 G C 0.406 175.359 174.900 0.088 0.000 1.257 55 G CA -0.016 45.125 45.100 0.068 0.000 0.935 55 G HN 0.513 nan 8.290 nan 0.000 0.480 56 H N 3.117 122.200 119.070 0.022 0.000 2.289 56 H HA -0.166 4.393 4.556 0.005 0.000 0.296 56 H C 2.559 177.869 175.328 -0.031 0.000 1.091 56 H CA 2.813 58.872 56.048 0.018 0.000 1.274 56 H CB 0.179 29.950 29.762 0.015 0.000 1.364 56 H HN 0.532 nan 8.280 nan 0.000 0.490 57 A N 0.219 123.056 122.820 0.028 0.000 1.902 57 A HA -0.156 4.167 4.320 0.005 0.000 0.217 57 A C 2.250 179.778 177.584 -0.093 0.000 1.181 57 A CA 1.858 53.854 52.037 -0.069 0.000 0.623 57 A CB -0.369 18.620 19.000 -0.019 0.000 0.818 57 A HN 0.575 nan 8.150 nan 0.000 0.443 58 E N -0.236 119.933 120.200 -0.052 0.000 2.107 58 E HA 0.020 4.373 4.350 0.005 0.000 0.191 58 E C 2.113 178.678 176.600 -0.059 0.000 0.982 58 E CA 0.993 57.361 56.400 -0.053 0.000 0.809 58 E CB -0.636 29.039 29.700 -0.041 0.000 0.756 58 E HN 0.531 nan 8.360 nan 0.000 0.459 59 G N 0.887 109.651 108.800 -0.059 0.000 2.446 59 G HA2 -0.317 3.646 3.960 0.005 0.000 0.217 59 G HA3 -0.317 3.646 3.960 0.005 0.000 0.217 59 G C 1.514 176.378 174.900 -0.060 0.000 1.168 59 G CA 0.833 45.906 45.100 -0.046 0.000 0.771 59 G HN 0.136 nan 8.290 nan 0.000 0.551 60 R N 0.537 120.931 120.500 -0.176 0.000 2.083 60 R HA -0.027 4.316 4.340 0.005 0.000 0.237 60 R C 3.035 179.320 176.300 -0.025 0.000 1.137 60 R CA 1.240 57.197 56.100 -0.238 0.000 0.951 60 R CB -0.455 29.516 30.300 -0.549 0.000 0.851 60 R HN 0.351 nan 8.270 nan 0.000 0.434 61 A N 1.033 123.821 122.820 -0.053 0.000 1.940 61 A HA -0.133 4.189 4.320 0.005 0.000 0.219 61 A C 2.108 179.699 177.584 0.012 0.000 1.176 61 A CA 1.269 53.299 52.037 -0.011 0.000 0.631 61 A CB -0.436 18.543 19.000 -0.035 0.000 0.814 61 A HN 0.206 nan 8.150 nan 0.000 0.446 62 L N -1.113 120.113 121.223 0.004 0.000 2.341 62 L HA 0.052 4.395 4.340 0.005 0.000 0.214 62 L C 2.013 178.910 176.870 0.045 0.000 1.115 62 L CA 0.296 55.141 54.840 0.008 0.000 0.820 62 L CB -0.180 41.869 42.059 -0.016 0.000 0.944 62 L HN 0.323 nan 8.230 nan 0.000 0.452 63 L N -0.435 120.843 121.223 0.091 0.000 2.492 63 L HA -0.030 4.313 4.340 0.005 0.000 0.223 63 L C 1.880 178.807 176.870 0.095 0.000 1.132 63 L CA 0.197 55.112 54.840 0.125 0.000 0.850 63 L CB 0.087 42.264 42.059 0.197 0.000 0.966 63 L HN 0.204 nan 8.230 nan 0.000 0.454 64 V N -5.553 114.410 119.914 0.083 0.000 3.621 64 V HA 0.163 4.286 4.120 0.005 0.000 0.285 64 V C 0.529 176.634 176.094 0.017 0.000 1.346 64 V CA -0.239 62.075 62.300 0.024 0.000 1.104 64 V CB -0.128 31.713 31.823 0.029 0.000 0.913 64 V HN 0.117 nan 8.190 nan 0.000 0.432 65 D N 2.201 122.616 120.400 0.026 0.000 2.280 65 D HA 0.304 4.947 4.640 0.005 0.000 0.243 65 D C -1.783 174.528 176.300 0.018 0.000 1.129 65 D CA -1.678 52.330 54.000 0.014 0.000 0.848 65 D CB 2.355 43.158 40.800 0.005 0.000 1.107 65 D HN 0.171 nan 8.370 nan 0.000 0.471 66 P HA 0.018 nan 4.420 nan 0.000 0.230 66 P C 0.868 178.184 177.300 0.026 0.000 1.158 66 P CA 0.514 63.626 63.100 0.020 0.000 0.769 66 P CB 0.335 32.044 31.700 0.015 0.000 0.807 67 R N -0.969 119.541 120.500 0.016 0.000 2.280 67 R HA 0.115 4.458 4.340 0.005 0.000 0.207 67 R C 0.743 177.056 176.300 0.021 0.000 1.043 67 R CA 0.354 56.462 56.100 0.013 0.000 1.006 67 R CB -0.415 29.882 30.300 -0.004 0.000 0.885 67 R HN 0.224 nan 8.270 nan 0.000 0.467 68 L N 0.896 122.138 121.223 0.033 0.000 2.264 68 L HA 0.236 4.578 4.340 0.005 0.000 0.289 68 L C 0.164 177.090 176.870 0.094 0.000 1.044 68 L CA -0.433 54.438 54.840 0.052 0.000 0.807 68 L CB 1.576 43.666 42.059 0.051 0.000 1.192 68 L HN 0.042 nan 8.230 nan 0.000 0.425 69 S N 1.525 117.300 115.700 0.125 0.000 2.654 69 S HA 0.370 4.843 4.470 0.005 0.000 0.283 69 S C 0.538 175.303 174.600 0.276 0.000 1.180 69 S CA -0.455 57.848 58.200 0.172 0.000 1.021 69 S CB 1.545 64.849 63.200 0.174 0.000 1.018 69 S HN 0.581 nan 8.310 nan 0.000 0.532 70 S N 1.865 117.664 115.700 0.166 0.000 2.754 70 S HA 0.183 4.656 4.470 0.005 0.000 0.247 70 S C -0.574 173.887 174.600 -0.232 0.000 1.031 70 S CA -0.457 57.757 58.200 0.022 0.000 1.014 70 S CB 0.020 62.997 63.200 -0.371 0.000 0.918 70 S HN 0.782 nan 8.310 nan 0.000 0.519 71 D N 1.266 121.633 120.400 -0.054 0.000 2.489 71 D HA 0.050 4.693 4.640 0.005 0.000 0.237 71 D C 0.371 176.567 176.300 -0.173 0.000 1.212 71 D CA -0.352 53.610 54.000 -0.063 0.000 1.058 71 D CB -0.064 40.817 40.800 0.134 0.000 1.098 71 D HN 0.266 nan 8.370 nan 0.000 0.509 72 W N 2.284 123.197 121.300 -0.645 0.000 2.468 72 W HA 0.059 4.721 4.660 0.004 0.000 0.262 72 W C 2.169 178.599 176.519 -0.147 0.000 1.241 72 W CA 0.584 57.554 57.345 -0.625 0.000 1.232 72 W CB -0.901 28.294 29.460 -0.443 0.000 1.124 72 W HN 0.484 nan 8.180 nan 0.000 0.597 73 G N -1.359 107.535 108.800 0.158 0.000 2.650 73 G HA2 -0.155 3.807 3.960 0.005 0.000 0.214 73 G HA3 -0.155 3.807 3.960 0.005 0.000 0.214 73 G C 0.507 175.516 174.900 0.182 0.000 1.136 73 G CA -0.019 45.172 45.100 0.153 0.000 0.789 73 G HN 0.168 nan 8.290 nan 0.000 0.536 74 H N 1.347 120.508 119.070 0.151 0.000 2.803 74 H HA 0.133 4.692 4.556 0.004 0.000 0.330 74 H C -1.408 174.026 175.328 0.177 0.000 1.057 74 H CA -1.527 54.622 56.048 0.169 0.000 1.458 74 H CB 1.857 31.752 29.762 0.222 0.000 1.470 74 H HN -0.056 nan 8.280 nan 0.000 0.560 75 P HA -0.131 nan 4.420 nan 0.000 0.217 75 P C 0.313 177.773 177.300 0.267 0.000 1.148 75 P CA 1.311 64.505 63.100 0.157 0.000 0.828 75 P CB 0.366 32.082 31.700 0.026 0.000 0.783 76 D N -2.140 118.554 120.400 0.490 0.000 2.358 76 D HA 0.056 4.699 4.640 0.005 0.000 0.224 76 D C 0.184 176.575 176.300 0.152 0.000 1.123 76 D CA -0.259 53.897 54.000 0.260 0.000 0.833 76 D CB -0.544 40.374 40.800 0.197 0.000 0.946 76 D HN 0.144 nan 8.370 nan 0.000 0.505 77 F N 3.237 123.265 119.950 0.131 0.000 2.578 77 F HA 0.117 4.647 4.527 0.004 0.000 0.376 77 F C -1.727 174.082 175.800 0.015 0.000 1.085 77 F CA -1.782 56.252 58.000 0.057 0.000 1.260 77 F CB 0.483 39.552 39.000 0.116 0.000 1.095 77 F HN -0.162 nan 8.300 nan 0.000 0.573 78 P HA 0.134 nan 4.420 nan 0.000 0.268 78 P C -1.136 176.094 177.300 -0.117 0.000 1.205 78 P CA -0.065 62.832 63.100 -0.338 0.000 0.771 78 P CB 0.816 32.253 31.700 -0.438 0.000 0.858 79 V N 1.317 121.242 119.914 0.019 0.000 2.555 79 V HA 0.396 4.519 4.120 0.005 0.000 0.302 79 V C 0.757 176.999 176.094 0.247 0.000 1.038 79 V CA -0.488 61.884 62.300 0.120 0.000 0.887 79 V CB 1.706 33.619 31.823 0.149 0.000 0.991 79 V HN 0.397 nan 8.190 nan 0.000 0.434 80 V N 4.106 124.139 119.914 0.198 0.000 3.307 80 V HA 0.266 4.388 4.120 0.005 0.000 0.253 80 V C 1.068 177.238 176.094 0.127 0.000 1.149 80 V CA 1.214 63.675 62.300 0.269 0.000 1.112 80 V CB 0.391 32.382 31.823 0.279 0.000 0.777 80 V HN 1.432 nan 8.190 nan 0.000 0.464 92 F N 1.146 121.115 119.950 0.030 0.000 2.467 92 F HA 0.611 5.141 4.527 0.003 0.000 0.336 92 F C -2.589 173.109 175.800 -0.170 0.000 1.123 92 F CA -2.999 54.964 58.000 -0.063 0.000 0.964 92 F CB 1.561 40.457 39.000 -0.175 0.000 1.136 92 F HN -0.129 nan 8.300 nan 0.000 0.447 93 P HA 0.214 nan 4.420 nan 0.000 0.268 93 P C 0.547 177.828 177.300 -0.031 0.000 1.208 93 P CA 0.452 63.540 63.100 -0.020 0.000 0.777 93 P CB 0.651 32.330 31.700 -0.034 0.000 0.875 94 L N 0.129 121.366 121.223 0.024 0.000 3.639 94 L HA -0.336 4.007 4.340 0.005 0.000 0.053 94 L C 1.780 178.768 176.870 0.195 0.000 4.336 94 L CA 1.442 56.367 54.840 0.142 0.000 0.628 94 L CB -1.650 40.452 42.059 0.072 0.000 3.503 94 L HN 0.341 nan 8.230 nan 0.000 0.874 95 I N -0.155 120.398 120.570 -0.028 0.000 2.761 95 I HA -0.004 4.169 4.170 0.005 0.000 0.261 95 I C 1.597 177.254 176.117 -0.766 0.000 1.198 95 I CA 1.656 62.840 61.300 -0.194 0.000 1.482 95 I CB 0.110 38.081 38.000 -0.049 0.000 1.100 95 I HN 0.402 nan 8.210 nan 0.000 0.445 96 G N 0.791 108.994 108.800 -0.996 0.000 3.690 96 G HA2 0.400 4.363 3.960 0.005 0.000 0.283 96 G HA3 0.400 4.363 3.960 0.005 0.000 0.283 96 G C -0.142 174.311 174.900 -0.744 0.000 1.057 96 G CA 0.409 44.452 45.100 -1.762 0.000 0.821 96 G HN 0.193 nan 8.290 nan 0.000 0.526 97 V N -3.549 116.158 119.914 -0.346 0.000 3.078 97 V HA 0.683 4.806 4.120 0.005 0.000 0.311 97 V C -1.280 174.836 176.094 0.037 0.000 1.138 97 V CA -1.306 60.935 62.300 -0.097 0.000 1.007 97 V CB 2.279 34.102 31.823 0.000 0.000 1.045 97 V HN -0.099 nan 8.190 nan 0.000 0.432 98 D N 0.746 121.183 120.400 0.062 0.000 2.478 98 D HA 0.411 5.054 4.640 0.005 0.000 0.263 98 D C -0.708 175.665 176.300 0.121 0.000 1.153 98 D CA -0.201 53.856 54.000 0.095 0.000 1.038 98 D CB 0.908 41.759 40.800 0.084 0.000 1.120 98 D HN 0.730 nan 8.370 nan 0.000 0.564 99 D N 0.359 120.822 120.400 0.105 0.000 2.382 99 D HA 0.090 4.733 4.640 0.005 0.000 0.240 99 D C -1.080 175.258 176.300 0.064 0.000 1.146 99 D CA -0.848 53.205 54.000 0.088 0.000 0.897 99 D CB 0.444 41.283 40.800 0.065 0.000 1.197 99 D HN 0.138 nan 8.370 nan 0.000 0.432 100 P HA -0.001 nan 4.420 nan 0.000 0.245 100 P C 1.125 178.444 177.300 0.031 0.000 1.206 100 P CA 0.209 63.330 63.100 0.035 0.000 0.781 100 P CB 0.454 32.166 31.700 0.021 0.000 0.994 101 V N 0.630 120.571 119.914 0.044 0.000 2.343 101 V HA -0.261 3.862 4.120 0.005 0.000 0.247 101 V C 2.761 178.870 176.094 0.025 0.000 1.051 101 V CA 1.882 64.201 62.300 0.031 0.000 1.036 101 V CB -1.529 30.318 31.823 0.039 0.000 0.654 101 V HN 0.313 nan 8.190 nan 0.000 0.451 102 H N 0.853 119.911 119.070 -0.021 0.000 2.265 102 H HA -0.237 4.321 4.556 0.004 0.000 0.295 102 H C 2.262 177.550 175.328 -0.067 0.000 1.084 102 H CA 2.303 58.325 56.048 -0.043 0.000 1.261 102 H CB 0.022 29.747 29.762 -0.061 0.000 1.360 102 H HN 0.398 nan 8.280 nan 0.000 0.487 103 A N 1.744 124.458 122.820 -0.176 0.000 1.898 103 A HA -0.201 4.122 4.320 0.005 0.000 0.216 103 A C 2.565 180.046 177.584 -0.173 0.000 1.181 103 A CA 1.786 53.697 52.037 -0.211 0.000 0.620 103 A CB -0.600 18.361 19.000 -0.065 0.000 0.819 103 A HN 0.708 nan 8.150 nan 0.000 0.442 104 R N -0.304 120.133 120.500 -0.104 0.000 2.091 104 R HA -0.187 4.156 4.340 0.005 0.000 0.238 104 R C 2.034 178.273 176.300 -0.101 0.000 1.136 104 R CA 1.929 57.980 56.100 -0.082 0.000 0.959 104 R CB -0.628 29.645 30.300 -0.045 0.000 0.856 104 R HN 0.584 nan 8.270 nan 0.000 0.437 105 Q N 0.164 119.890 119.800 -0.123 0.000 2.083 105 Q HA -0.068 4.275 4.340 0.005 0.000 0.198 105 Q C 2.323 178.241 176.000 -0.137 0.000 0.969 105 Q CA 1.469 57.208 55.803 -0.107 0.000 0.838 105 Q CB -0.099 28.587 28.738 -0.088 0.000 0.900 105 Q HN 0.387 nan 8.270 nan 0.000 0.436 106 R N 1.278 121.630 120.500 -0.246 0.000 2.096 106 R HA -0.159 4.184 4.340 0.005 0.000 0.235 106 R C 2.283 178.497 176.300 -0.142 0.000 1.127 106 R CA 1.651 57.607 56.100 -0.240 0.000 0.968 106 R CB -0.002 30.029 30.300 -0.449 0.000 0.861 106 R HN 0.159 nan 8.270 nan 0.000 0.440 107 R N -0.251 120.169 120.500 -0.134 0.000 2.189 107 R HA 0.015 4.358 4.340 0.005 0.000 0.218 107 R C 1.873 178.142 176.300 -0.051 0.000 1.074 107 R CA 1.354 57.405 56.100 -0.082 0.000 0.991 107 R CB -0.307 29.947 30.300 -0.077 0.000 0.883 107 R HN 0.232 nan 8.270 nan 0.000 0.457 108 M N 0.584 120.152 119.600 -0.054 0.000 2.213 108 M HA -0.066 4.417 4.480 0.005 0.000 0.263 108 M C 1.751 178.044 176.300 -0.012 0.000 1.062 108 M CA 1.574 56.852 55.300 -0.037 0.000 1.105 108 M CB -0.105 32.469 32.600 -0.043 0.000 1.385 108 M HN 0.234 nan 8.290 nan 0.000 0.417 109 L N -0.871 120.358 121.223 0.010 0.000 2.354 109 L HA -0.006 4.337 4.340 0.005 0.000 0.212 109 L C 2.189 179.174 176.870 0.191 0.000 1.091 109 L CA 0.206 55.108 54.840 0.104 0.000 0.828 109 L CB -0.298 41.858 42.059 0.162 0.000 0.973 109 L HN 0.219 nan 8.230 nan 0.000 0.461 110 I N 0.967 121.598 120.570 0.102 0.000 2.151 110 I HA -0.247 3.926 4.170 0.005 0.000 0.243 110 I C -0.381 175.814 176.117 0.131 0.000 1.080 110 I CA 1.710 63.077 61.300 0.111 0.000 1.339 110 I CB -1.225 36.782 38.000 0.012 0.000 1.039 110 I HN 0.237 nan 8.210 nan 0.000 0.409 111 P HA -0.057 nan 4.420 nan 0.000 0.226 111 P C 1.358 178.658 177.300 0.001 0.000 1.153 111 P CA 1.085 64.201 63.100 0.026 0.000 0.777 111 P CB 0.006 31.705 31.700 -0.003 0.000 0.794 112 S N -1.638 114.052 115.700 -0.016 0.000 2.561 112 S HA 0.070 4.543 4.470 0.005 0.000 0.225 112 S C 0.714 175.110 174.600 -0.340 0.000 0.977 112 S CA 0.574 58.664 58.200 -0.183 0.000 0.926 112 S CB -0.709 62.325 63.200 -0.277 0.000 0.769 112 S HN 0.157 nan 8.310 nan 0.000 0.533 113 F N 1.791 121.716 119.950 -0.042 0.000 2.750 113 F HA 0.374 4.904 4.527 0.004 0.000 0.297 113 F C 1.407 177.184 175.800 -0.038 0.000 1.138 113 F CA -0.888 57.087 58.000 -0.042 0.000 1.346 113 F CB -0.064 38.906 39.000 -0.049 0.000 0.965 113 F HN 0.081 nan 8.300 nan 0.000 0.514 114 G N -0.174 108.658 108.800 0.053 0.000 2.606 114 G HA2 0.226 4.189 3.960 0.005 0.000 0.252 114 G HA3 0.226 4.189 3.960 0.005 0.000 0.252 114 G C 1.083 175.994 174.900 0.018 0.000 1.206 114 G CA -0.423 44.697 45.100 0.034 0.000 0.861 114 G HN 0.063 nan 8.290 nan 0.000 0.561 115 V N 0.607 120.532 119.914 0.017 0.000 2.380 115 V HA -0.205 3.918 4.120 0.005 0.000 0.251 115 V C 2.913 179.009 176.094 0.003 0.000 1.063 115 V CA 2.712 65.020 62.300 0.013 0.000 1.055 115 V CB -0.333 31.497 31.823 0.011 0.000 0.657 115 V HN 0.790 nan 8.190 nan 0.000 0.455 116 K N 0.249 120.646 120.400 -0.006 0.000 2.062 116 K HA -0.156 4.166 4.320 0.005 0.000 0.205 116 K C 2.171 178.757 176.600 -0.023 0.000 1.051 116 K CA 1.459 57.738 56.287 -0.013 0.000 0.941 116 K CB -0.337 32.154 32.500 -0.016 0.000 0.719 116 K HN 0.331 nan 8.250 nan 0.000 0.440 117 R N 0.105 120.583 120.500 -0.036 0.000 2.075 117 R HA 0.025 4.368 4.340 0.005 0.000 0.232 117 R C 1.882 178.156 176.300 -0.043 0.000 1.126 117 R CA 1.657 57.723 56.100 -0.057 0.000 0.963 117 R CB -0.491 29.747 30.300 -0.103 0.000 0.858 117 R HN 0.163 nan 8.270 nan 0.000 0.435 118 M N 0.842 120.428 119.600 -0.023 0.000 2.073 118 M HA -0.151 4.332 4.480 0.005 0.000 0.258 118 M C 1.775 178.076 176.300 0.002 0.000 1.070 118 M CA 1.902 57.201 55.300 -0.001 0.000 1.103 118 M CB -1.503 31.110 32.600 0.022 0.000 1.321 118 M HN 0.328 nan 8.290 nan 0.000 0.405 119 N N -0.088 118.613 118.700 0.002 0.000 2.309 119 N HA -0.046 4.696 4.740 0.005 0.000 0.182 119 N C 1.609 177.119 175.510 0.000 0.000 1.018 119 N CA 0.874 53.927 53.050 0.005 0.000 0.876 119 N CB -0.056 38.434 38.487 0.004 0.000 0.972 119 N HN 0.374 nan 8.380 nan 0.000 0.434 120 A N 0.925 123.740 122.820 -0.009 0.000 1.968 120 A HA -0.001 4.322 4.320 0.005 0.000 0.217 120 A C 2.023 179.604 177.584 -0.005 0.000 1.169 120 A CA 0.681 52.712 52.037 -0.011 0.000 0.638 120 A CB -0.316 18.672 19.000 -0.021 0.000 0.812 120 A HN 0.179 nan 8.150 nan 0.000 0.446 121 I N -0.948 119.619 120.570 -0.006 0.000 2.439 121 I HA -0.211 3.961 4.170 0.005 0.000 0.251 121 I C 2.633 178.760 176.117 0.016 0.000 1.139 121 I CA 0.737 62.039 61.300 0.003 0.000 1.438 121 I CB -0.347 37.649 38.000 -0.007 0.000 1.085 121 I HN 0.296 nan 8.210 nan 0.000 0.427 122 R N 0.989 121.500 120.500 0.017 0.000 2.115 122 R HA -0.190 4.153 4.340 0.005 0.000 0.239 122 R C -0.339 175.976 176.300 0.026 0.000 1.133 122 R CA 2.056 58.171 56.100 0.025 0.000 0.935 122 R CB -1.853 28.462 30.300 0.026 0.000 0.853 122 R HN 0.352 nan 8.270 nan 0.000 0.433 123 P HA -0.098 nan 4.420 nan 0.000 0.218 123 P C 0.768 178.084 177.300 0.027 0.000 1.149 123 P CA 1.250 64.363 63.100 0.020 0.000 0.817 123 P CB -0.011 31.695 31.700 0.011 0.000 0.785 124 R N -0.330 120.189 120.500 0.031 0.000 2.081 124 R HA -0.029 4.314 4.340 0.005 0.000 0.235 124 R C 2.509 178.839 176.300 0.050 0.000 1.131 124 R CA 1.198 57.327 56.100 0.049 0.000 0.960 124 R CB -1.284 29.056 30.300 0.066 0.000 0.856 124 R HN 0.187 nan 8.270 nan 0.000 0.436 125 L N -0.019 121.227 121.223 0.039 0.000 2.093 125 L HA -0.184 4.159 4.340 0.005 0.000 0.208 125 L C 2.494 179.385 176.870 0.035 0.000 1.085 125 L CA 1.020 55.879 54.840 0.031 0.000 0.755 125 L CB -0.482 41.593 42.059 0.028 0.000 0.904 125 L HN 0.223 nan 8.230 nan 0.000 0.435 126 Q N -0.326 119.498 119.800 0.040 0.000 2.077 126 Q HA -0.247 4.096 4.340 0.005 0.000 0.206 126 Q C 2.530 178.557 176.000 0.044 0.000 0.989 126 Q CA 2.244 58.073 55.803 0.044 0.000 0.853 126 Q CB -0.415 28.346 28.738 0.038 0.000 0.907 126 Q HN 0.469 nan 8.270 nan 0.000 0.418 127 S N 0.128 115.853 115.700 0.041 0.000 2.406 127 S HA -0.111 4.362 4.470 0.005 0.000 0.228 127 S C 1.924 176.553 174.600 0.048 0.000 1.020 127 S CA 0.766 58.990 58.200 0.041 0.000 0.965 127 S CB -0.081 63.142 63.200 0.038 0.000 0.798 127 S HN 0.295 nan 8.310 nan 0.000 0.488 128 L N 1.569 122.821 121.223 0.049 0.000 2.056 128 L HA 0.093 4.436 4.340 0.005 0.000 0.207 128 L C 2.327 179.221 176.870 0.039 0.000 1.078 128 L CA 1.578 56.443 54.840 0.042 0.000 0.749 128 L CB -0.728 41.348 42.059 0.028 0.000 0.901 128 L HN 0.212 nan 8.230 nan 0.000 0.433 129 V N 0.163 120.105 119.914 0.046 0.000 2.295 129 V HA -0.285 3.838 4.120 0.005 0.000 0.246 129 V C 2.284 178.464 176.094 0.144 0.000 1.049 129 V CA 2.023 64.390 62.300 0.112 0.000 1.024 129 V CB -0.805 31.095 31.823 0.129 0.000 0.648 129 V HN 0.490 nan 8.190 nan 0.000 0.447 130 D N -0.340 120.109 120.400 0.082 0.000 2.133 130 D HA -0.219 4.424 4.640 0.005 0.000 0.195 130 D C 2.270 178.591 176.300 0.036 0.000 0.997 130 D CA 1.521 55.549 54.000 0.047 0.000 0.840 130 D CB -0.264 40.555 40.800 0.032 0.000 0.947 130 D HN 0.369 nan 8.370 nan 0.000 0.452 131 R N 0.473 121.000 120.500 0.045 0.000 2.075 131 R HA -0.046 4.297 4.340 0.005 0.000 0.232 131 R C 2.551 178.878 176.300 0.045 0.000 1.126 131 R CA 0.568 56.691 56.100 0.037 0.000 0.963 131 R CB -0.230 30.095 30.300 0.043 0.000 0.858 131 R HN 0.158 nan 8.270 nan 0.000 0.435 132 L N 0.688 121.960 121.223 0.081 0.000 2.046 132 L HA -0.196 4.147 4.340 0.005 0.000 0.208 132 L C 2.430 179.359 176.870 0.098 0.000 1.077 132 L CA 1.137 56.052 54.840 0.125 0.000 0.747 132 L CB -0.383 41.797 42.059 0.202 0.000 0.896 132 L HN 0.251 nan 8.230 nan 0.000 0.432 133 L N -0.642 120.617 121.223 0.060 0.000 2.027 133 L HA -0.200 4.143 4.340 0.005 0.000 0.206 133 L C 2.313 179.084 176.870 -0.166 0.000 1.074 133 L CA 1.028 55.792 54.840 -0.126 0.000 0.745 133 L CB -0.667 41.298 42.059 -0.157 0.000 0.898 133 L HN 0.269 nan 8.230 nan 0.000 0.433 134 D N -0.034 120.308 120.400 -0.096 0.000 2.123 134 D HA -0.240 4.403 4.640 0.005 0.000 0.196 134 D C 1.730 177.985 176.300 -0.074 0.000 0.992 134 D CA 1.668 55.610 54.000 -0.097 0.000 0.833 134 D CB -0.202 40.574 40.800 -0.041 0.000 0.954 134 D HN 0.334 nan 8.370 nan 0.000 0.455 135 D N -0.388 119.993 120.400 -0.031 0.000 2.123 135 D HA -0.063 4.579 4.640 0.005 0.000 0.200 135 D C 2.167 178.472 176.300 0.007 0.000 0.976 135 D CA 0.518 54.518 54.000 -0.001 0.000 0.831 135 D CB -0.062 40.752 40.800 0.023 0.000 0.974 135 D HN 0.024 nan 8.370 nan 0.000 0.469 136 M N -0.339 119.252 119.600 -0.015 0.000 2.108 136 M HA -0.157 4.326 4.480 0.005 0.000 0.261 136 M C 1.958 178.304 176.300 0.076 0.000 1.066 136 M CA 1.288 56.593 55.300 0.008 0.000 1.107 136 M CB -0.053 32.470 32.600 -0.129 0.000 1.356 136 M HN 0.151 nan 8.290 nan 0.000 0.406 137 L N -0.983 120.181 121.223 -0.098 0.000 2.156 137 L HA -0.118 4.225 4.340 0.005 0.000 0.208 137 L C 2.595 179.493 176.870 0.048 0.000 1.095 137 L CA 0.931 55.730 54.840 -0.068 0.000 0.770 137 L CB -0.784 41.004 42.059 -0.452 0.000 0.914 137 L HN 0.314 nan 8.230 nan 0.000 0.439 138 A N 0.042 122.868 122.820 0.009 0.000 2.014 138 A HA -0.144 4.178 4.320 0.005 0.000 0.218 138 A C 2.081 179.700 177.584 0.059 0.000 1.163 138 A CA 1.208 53.264 52.037 0.031 0.000 0.652 138 A CB -0.184 18.825 19.000 0.015 0.000 0.808 138 A HN 0.281 nan 8.150 nan 0.000 0.449 139 K N -0.150 120.297 120.400 0.080 0.000 2.417 139 K HA 0.200 4.523 4.320 0.005 0.000 0.196 139 K C 1.038 177.682 176.600 0.073 0.000 1.023 139 K CA 0.221 56.551 56.287 0.070 0.000 1.122 139 K CB 0.364 32.905 32.500 0.069 0.000 0.850 139 K HN 0.435 nan 8.250 nan 0.000 0.521 140 G N 1.731 110.605 108.800 0.124 0.000 2.543 140 G HA2 0.279 4.242 3.960 0.005 0.000 0.267 140 G HA3 0.279 4.242 3.960 0.005 0.000 0.267 140 G C -2.141 172.632 174.900 -0.212 0.000 1.406 140 G CA -0.964 44.158 45.100 0.036 0.000 1.048 140 G HN -0.048 nan 8.290 nan 0.000 0.548 141 P HA 0.297 nan 4.420 nan 0.000 0.286 141 P C 0.517 177.475 177.300 -0.571 0.000 1.293 141 P CA -0.074 62.314 63.100 -1.188 0.000 0.770 141 P CB 0.521 31.157 31.700 -1.773 0.000 1.206 142 G N -1.011 107.493 108.800 -0.492 0.000 2.975 142 G HA2 0.574 4.537 3.960 0.005 0.000 0.159 142 G HA3 0.574 4.537 3.960 0.005 0.000 0.159 142 G C -0.843 173.959 174.900 -0.164 0.000 1.525 142 G CA 0.075 44.811 45.100 -0.607 0.000 1.075 142 G HN 0.796 nan 8.290 nan 0.000 0.574 143 A N -1.483 121.374 122.820 0.062 0.000 2.599 143 A HA 0.541 4.864 4.320 0.005 0.000 0.290 143 A C -1.949 175.697 177.584 0.103 0.000 1.101 143 A CA -0.410 51.710 52.037 0.139 0.000 0.674 143 A CB 1.492 20.658 19.000 0.277 0.000 1.277 143 A HN 0.523 nan 8.150 nan 0.000 0.419 144 D N 0.664 121.115 120.400 0.086 0.000 2.347 144 D HA 0.327 4.970 4.640 0.005 0.000 0.235 144 D C 0.663 177.022 176.300 0.099 0.000 1.149 144 D CA -0.305 53.741 54.000 0.077 0.000 0.850 144 D CB 1.161 41.995 40.800 0.057 0.000 1.061 144 D HN 0.358 nan 8.370 nan 0.000 0.487 145 L N 4.672 125.955 121.223 0.102 0.000 2.291 145 L HA -0.060 4.283 4.340 0.005 0.000 0.214 145 L C 1.820 178.781 176.870 0.152 0.000 1.120 145 L CA 0.974 55.888 54.840 0.124 0.000 0.799 145 L CB 0.081 42.194 42.059 0.091 0.000 0.925 145 L HN 0.393 nan 8.230 nan 0.000 0.446 146 V N -1.484 118.493 119.914 0.105 0.000 2.223 146 V HA -0.294 3.829 4.120 0.005 0.000 0.244 146 V C 2.598 178.740 176.094 0.079 0.000 1.045 146 V CA 2.010 64.360 62.300 0.082 0.000 1.000 146 V CB -1.000 30.855 31.823 0.052 0.000 0.635 146 V HN 0.532 nan 8.190 nan 0.000 0.445 147 S N -0.322 115.422 115.700 0.073 0.000 2.356 147 S HA -0.165 4.308 4.470 0.005 0.000 0.223 147 S C 2.023 176.675 174.600 0.085 0.000 1.032 147 S CA 1.609 59.850 58.200 0.068 0.000 1.005 147 S CB -0.412 62.823 63.200 0.058 0.000 0.867 147 S HN 0.622 nan 8.310 nan 0.000 0.449 148 A N -1.390 121.498 122.820 0.113 0.000 2.119 148 A HA 0.251 4.574 4.320 0.005 0.000 0.217 148 A C 1.550 179.256 177.584 0.203 0.000 1.153 148 A CA 1.053 53.171 52.037 0.135 0.000 0.692 148 A CB -0.277 18.804 19.000 0.135 0.000 0.799 148 A HN 0.667 nan 8.150 nan 0.000 0.458 149 F N -2.807 117.148 119.950 0.008 0.000 1.890 149 F HA 0.368 4.898 4.527 0.004 0.000 0.261 149 F C 2.098 177.904 175.800 0.010 0.000 1.066 149 F CA 0.408 58.404 58.000 -0.005 0.000 1.235 149 F CB -0.524 38.453 39.000 -0.038 0.000 1.548 149 F HN 0.060 nan 8.300 nan 0.000 0.593 150 A N 0.873 123.727 122.820 0.057 0.000 1.902 150 A HA -0.109 4.214 4.320 0.005 0.000 0.217 150 A C 1.934 179.467 177.584 -0.085 0.000 1.181 150 A CA 1.977 53.982 52.037 -0.053 0.000 0.623 150 A CB -1.096 17.936 19.000 0.054 0.000 0.818 150 A HN 0.469 nan 8.150 nan 0.000 0.443 151 L N 0.344 121.555 121.223 -0.019 0.000 2.017 151 L HA -0.033 4.310 4.340 0.005 0.000 0.208 151 L C -0.858 176.052 176.870 0.067 0.000 1.073 151 L CA 2.308 57.159 54.840 0.018 0.000 0.745 151 L CB -1.093 41.000 42.059 0.057 0.000 0.894 151 L HN 0.193 nan 8.230 nan 0.000 0.432 152 P HA -0.046 nan 4.420 nan 0.000 0.222 152 P C 2.080 179.379 177.300 -0.002 0.000 1.153 152 P CA 0.860 63.974 63.100 0.023 0.000 0.798 152 P CB 0.042 31.736 31.700 -0.010 0.000 0.796 153 V N 1.197 121.058 119.914 -0.088 0.000 2.295 153 V HA -0.132 3.991 4.120 0.005 0.000 0.246 153 V C -0.500 175.597 176.094 0.006 0.000 1.049 153 V CA 2.522 64.763 62.300 -0.099 0.000 1.024 153 V CB -2.367 29.325 31.823 -0.218 0.000 0.648 153 V HN 0.176 nan 8.190 nan 0.000 0.447 154 P HA -0.047 nan 4.420 nan 0.000 0.223 154 P C 1.952 179.387 177.300 0.226 0.000 1.151 154 P CA 1.234 64.426 63.100 0.154 0.000 0.787 154 P CB 0.041 31.837 31.700 0.161 0.000 0.788 155 S N -0.601 115.240 115.700 0.236 0.000 2.344 155 S HA -0.112 4.361 4.470 0.005 0.000 0.217 155 S C 1.891 176.499 174.600 0.013 0.000 1.033 155 S CA 1.373 59.648 58.200 0.126 0.000 1.017 155 S CB -1.071 62.183 63.200 0.090 0.000 0.941 155 S HN -0.123 nan 8.310 nan 0.000 0.430 156 V N 2.227 122.129 119.914 -0.020 0.000 2.392 156 V HA -0.203 3.920 4.120 0.005 0.000 0.249 156 V C 2.619 178.665 176.094 -0.079 0.000 1.059 156 V CA 1.785 64.036 62.300 -0.082 0.000 1.051 156 V CB -1.291 30.535 31.823 0.005 0.000 0.658 156 V HN 0.566 nan 8.190 nan 0.000 0.455 157 A N 0.135 122.945 122.820 -0.018 0.000 1.877 157 A HA -0.153 4.170 4.320 0.005 0.000 0.216 157 A C 2.155 179.710 177.584 -0.048 0.000 1.186 157 A CA 1.728 53.759 52.037 -0.009 0.000 0.620 157 A CB -0.457 18.563 19.000 0.034 0.000 0.822 157 A HN 0.402 nan 8.150 nan 0.000 0.443 158 I N -0.153 120.393 120.570 -0.039 0.000 2.286 158 I HA -0.243 3.929 4.170 0.005 0.000 0.248 158 I C 2.552 178.500 176.117 -0.281 0.000 1.115 158 I CA 0.977 62.230 61.300 -0.079 0.000 1.392 158 I CB -1.592 36.433 38.000 0.041 0.000 1.065 158 I HN 0.369 nan 8.210 nan 0.000 0.418 159 C N 0.706 119.733 119.300 -0.454 0.000 2.429 159 C HA -0.119 4.344 4.460 0.005 0.000 0.277 159 C C 2.706 177.475 174.990 -0.369 0.000 1.262 159 C CA 0.570 59.159 59.018 -0.715 0.000 1.733 159 C CB -0.726 26.270 27.740 -1.240 0.000 2.010 159 C HN 0.487 nan 8.230 nan 0.000 0.483 160 E N 0.456 120.539 120.200 -0.195 0.000 2.072 160 E HA -0.132 4.221 4.350 0.005 0.000 0.190 160 E C 2.029 178.572 176.600 -0.096 0.000 0.982 160 E CA 0.698 57.068 56.400 -0.049 0.000 0.803 160 E CB -0.720 28.983 29.700 0.005 0.000 0.755 160 E HN 0.543 nan 8.360 nan 0.000 0.453 161 L N 1.203 122.347 121.223 -0.131 0.000 1.990 161 L HA -0.187 4.155 4.340 0.005 0.000 0.213 161 L C 2.276 179.033 176.870 -0.187 0.000 1.072 161 L CA 1.665 56.401 54.840 -0.173 0.000 0.755 161 L CB -0.637 41.318 42.059 -0.173 0.000 0.889 161 L HN 0.074 nan 8.230 nan 0.000 0.432 162 L N -0.727 120.385 121.223 -0.185 0.000 2.201 162 L HA 0.053 4.396 4.340 0.005 0.000 0.212 162 L C 1.498 178.284 176.870 -0.141 0.000 1.105 162 L CA 0.801 55.538 54.840 -0.171 0.000 0.775 162 L CB -0.838 41.101 42.059 -0.201 0.000 0.913 162 L HN 0.667 nan 8.230 nan 0.000 0.440 163 G N 0.293 109.021 108.800 -0.119 0.000 2.165 163 G HA2 -0.213 3.750 3.960 0.005 0.000 0.226 163 G HA3 -0.213 3.750 3.960 0.005 0.000 0.226 163 G C 0.006 174.888 174.900 -0.029 0.000 1.035 163 G CA -0.127 44.937 45.100 -0.061 0.000 0.744 163 G HN 0.065 nan 8.290 nan 0.000 0.501 164 V N 1.545 121.425 119.914 -0.058 0.000 2.521 164 V HA 0.265 4.388 4.120 0.005 0.000 0.286 164 V C -1.132 175.064 176.094 0.170 0.000 1.034 164 V CA -0.966 61.333 62.300 -0.002 0.000 1.045 164 V CB 1.017 32.676 31.823 -0.273 0.000 0.974 164 V HN 0.212 nan 8.190 nan 0.000 0.480 165 P HA -0.079 nan 4.420 nan 0.000 0.261 165 P C 0.407 177.813 177.300 0.177 0.000 1.173 165 P CA 0.451 63.644 63.100 0.156 0.000 0.760 165 P CB 0.241 32.020 31.700 0.132 0.000 0.783 166 Y N 4.200 124.448 120.300 -0.086 0.000 2.151 166 Y HA -0.273 4.281 4.550 0.006 0.000 0.284 166 Y C 2.401 178.154 175.900 -0.245 0.000 1.166 166 Y CA 2.518 60.345 58.100 -0.454 0.000 1.163 166 Y CB -0.818 37.426 38.460 -0.360 0.000 0.974 166 Y HN 0.517 nan 8.280 nan 0.000 0.511 167 G N -0.512 108.312 108.800 0.040 0.000 2.517 167 G HA2 -0.296 3.667 3.960 0.005 0.000 0.222 167 G HA3 -0.296 3.667 3.960 0.005 0.000 0.222 167 G C 1.097 175.994 174.900 -0.004 0.000 1.109 167 G CA 1.477 46.588 45.100 0.017 0.000 0.746 167 G HN 0.451 nan 8.290 nan 0.000 0.576 168 D N -1.042 119.389 120.400 0.052 0.000 2.349 168 D HA 0.111 4.754 4.640 0.005 0.000 0.214 168 D C 1.681 178.066 176.300 0.141 0.000 1.063 168 D CA -0.136 53.906 54.000 0.070 0.000 0.847 168 D CB -0.217 40.621 40.800 0.063 0.000 0.933 168 D HN 0.493 nan 8.370 nan 0.000 0.513 169 H N 0.820 119.806 119.070 -0.140 0.000 2.319 169 H HA -0.116 4.442 4.556 0.004 0.000 0.297 169 H C 1.147 176.444 175.328 -0.051 0.000 1.097 169 H CA 0.978 56.935 56.048 -0.152 0.000 1.285 169 H CB 0.471 30.024 29.762 -0.347 0.000 1.368 169 H HN 0.092 nan 8.280 nan 0.000 0.495 170 D N 0.544 120.985 120.400 0.068 0.000 2.097 170 D HA -0.149 4.494 4.640 0.005 0.000 0.195 170 D C 2.004 178.336 176.300 0.054 0.000 0.989 170 D CA 0.679 54.704 54.000 0.042 0.000 0.827 170 D CB -0.725 40.092 40.800 0.028 0.000 0.966 170 D HN 0.229 nan 8.370 nan 0.000 0.456 171 F N 0.839 120.753 119.950 -0.060 0.000 2.065 171 F HA -0.277 4.252 4.527 0.004 0.000 0.298 171 F C 2.213 177.939 175.800 -0.123 0.000 1.112 171 F CA 1.440 59.377 58.000 -0.105 0.000 1.212 171 F CB -0.613 38.288 39.000 -0.166 0.000 0.975 171 F HN -0.085 nan 8.300 nan 0.000 0.476 172 F N 1.167 120.991 119.950 -0.210 0.000 2.069 172 F HA -0.214 4.317 4.527 0.007 0.000 0.298 172 F C 2.681 178.282 175.800 -0.332 0.000 1.113 172 F CA 2.102 59.901 58.000 -0.335 0.000 1.214 172 F CB -0.569 38.291 39.000 -0.233 0.000 0.978 172 F HN 0.012 nan 8.300 nan 0.000 0.474 173 E N 0.643 120.860 120.200 0.028 0.000 2.097 173 E HA -0.309 4.044 4.350 0.005 0.000 0.196 173 E C 2.083 178.592 176.600 -0.152 0.000 1.000 173 E CA 1.752 58.123 56.400 -0.049 0.000 0.804 173 E CB -0.310 29.388 29.700 -0.004 0.000 0.740 173 E HN 0.594 nan 8.360 nan 0.000 0.454 174 E N -0.119 119.970 120.200 -0.186 0.000 2.051 174 E HA -0.163 4.189 4.350 0.005 0.000 0.192 174 E C 2.299 178.732 176.600 -0.278 0.000 0.991 174 E CA 1.865 58.149 56.400 -0.194 0.000 0.799 174 E CB -0.434 29.147 29.700 -0.198 0.000 0.748 174 E HN 0.257 nan 8.360 nan 0.000 0.449 175 C N 0.123 119.122 119.300 -0.502 0.000 2.413 175 C HA -0.131 4.332 4.460 0.005 0.000 0.276 175 C C 2.922 177.718 174.990 -0.324 0.000 1.236 175 C CA 1.261 59.979 59.018 -0.499 0.000 1.735 175 C CB -1.180 26.089 27.740 -0.784 0.000 2.031 175 C HN 0.492 nan 8.230 nan 0.000 0.474 176 S N -0.014 115.432 115.700 -0.423 0.000 2.370 176 S HA -0.220 4.253 4.470 0.005 0.000 0.226 176 S C 1.951 176.492 174.600 -0.098 0.000 1.033 176 S CA 1.740 59.715 58.200 -0.374 0.000 1.011 176 S CB -0.456 62.394 63.200 -0.584 0.000 0.852 176 S HN 0.720 nan 8.310 nan 0.000 0.457 177 R N 1.751 122.218 120.500 -0.055 0.000 2.066 177 R HA -0.051 4.292 4.340 0.005 0.000 0.232 177 R C 1.587 177.935 176.300 0.079 0.000 1.131 177 R CA 1.665 57.809 56.100 0.074 0.000 0.955 177 R CB -0.399 29.920 30.300 0.032 0.000 0.851 177 R HN 0.232 nan 8.270 nan 0.000 0.432 178 N N 0.121 118.838 118.700 0.029 0.000 2.348 178 N HA -0.183 4.560 4.740 0.005 0.000 0.185 178 N C 1.289 176.863 175.510 0.107 0.000 1.019 178 N CA 1.249 54.325 53.050 0.043 0.000 0.880 178 N CB -0.325 38.167 38.487 0.008 0.000 0.965 178 N HN 0.285 nan 8.380 nan 0.000 0.437 179 F N 1.298 121.245 119.950 -0.005 0.000 2.059 179 F HA 0.030 4.559 4.527 0.004 0.000 0.289 179 F C 1.181 177.030 175.800 0.082 0.000 1.128 179 F CA 0.355 58.384 58.000 0.048 0.000 1.181 179 F CB -0.415 38.617 39.000 0.054 0.000 1.012 179 F HN -0.307 nan 8.300 nan 0.000 0.473 188 A N 0.393 123.207 122.820 -0.011 0.000 2.626 188 A HA 0.589 4.912 4.320 0.005 0.000 0.293 188 A C -1.212 176.438 177.584 0.111 0.000 1.111 188 A CA -0.292 51.765 52.037 0.033 0.000 0.874 188 A CB 0.687 19.675 19.000 -0.021 0.000 1.451 188 A HN 0.548 nan 8.150 nan 0.000 0.396 189 D N 0.840 121.343 120.400 0.171 0.000 2.557 189 D HA 0.270 4.913 4.640 0.005 0.000 0.317 189 D C 1.134 177.574 176.300 0.233 0.000 1.403 189 D CA 0.966 55.108 54.000 0.237 0.000 0.886 189 D CB 0.852 41.727 40.800 0.124 0.000 1.363 189 D HN 0.535 nan 8.370 nan 0.000 0.458 190 A N -0.113 122.815 122.820 0.180 0.000 2.085 190 A HA 0.546 4.869 4.320 0.005 0.000 0.208 190 A C 2.084 179.748 177.584 0.133 0.000 1.191 190 A CA 1.122 53.240 52.037 0.134 0.000 0.799 190 A CB 0.018 19.070 19.000 0.085 0.000 0.877 190 A HN 0.143 nan 8.150 nan 0.000 0.473 191 A N -0.520 122.402 122.820 0.171 0.000 1.855 191 A HA -0.000 4.323 4.320 0.005 0.000 0.215 191 A C 1.968 179.616 177.584 0.107 0.000 1.191 191 A CA 1.518 53.627 52.037 0.120 0.000 0.613 191 A CB -0.854 18.269 19.000 0.206 0.000 0.829 191 A HN 0.613 nan 8.150 nan 0.000 0.442 192 F N 1.283 121.306 119.950 0.121 0.000 2.161 192 F HA -0.108 4.421 4.527 0.002 0.000 0.300 192 F C 2.257 178.095 175.800 0.064 0.000 1.089 192 F CA 1.675 59.677 58.000 0.003 0.000 1.282 192 F CB -0.464 38.640 39.000 0.173 0.000 1.010 192 F HN 0.208 nan 8.300 nan 0.000 0.485 193 G N -1.066 107.859 108.800 0.209 0.000 2.448 193 G HA2 -0.219 3.744 3.960 0.005 0.000 0.218 193 G HA3 -0.219 3.744 3.960 0.005 0.000 0.218 193 G C 1.481 176.427 174.900 0.076 0.000 1.135 193 G CA 0.659 45.830 45.100 0.117 0.000 0.784 193 G HN 0.447 nan 8.290 nan 0.000 0.543 194 E N -0.290 119.943 120.200 0.056 0.000 2.152 194 E HA 0.081 4.434 4.350 0.005 0.000 0.192 194 E C 2.447 179.122 176.600 0.124 0.000 0.983 194 E CA 0.144 56.605 56.400 0.101 0.000 0.818 194 E CB -0.100 29.643 29.700 0.072 0.000 0.758 194 E HN 0.403 nan 8.360 nan 0.000 0.467 195 L N -0.128 121.052 121.223 -0.072 0.000 2.046 195 L HA -0.185 4.158 4.340 0.005 0.000 0.208 195 L C 2.280 179.131 176.870 -0.032 0.000 1.077 195 L CA 1.270 56.030 54.840 -0.134 0.000 0.747 195 L CB -0.457 41.335 42.059 -0.445 0.000 0.896 195 L HN 0.292 nan 8.230 nan 0.000 0.432 196 Y N 0.252 120.414 120.300 -0.231 0.000 2.097 196 Y HA -0.360 4.192 4.550 0.004 0.000 0.282 196 Y C 3.015 178.915 175.900 -0.001 0.000 1.152 196 Y CA 2.333 60.327 58.100 -0.177 0.000 1.136 196 Y CB -0.130 38.198 38.460 -0.219 0.000 0.975 196 Y HN 0.138 nan 8.280 nan 0.000 0.498 197 T N -0.991 113.755 114.554 0.321 0.000 2.812 197 T HA -0.260 4.093 4.350 0.005 0.000 0.264 197 T C 1.708 176.533 174.700 0.209 0.000 1.042 197 T CA 1.540 63.806 62.100 0.276 0.000 1.140 197 T CB -0.880 68.098 68.868 0.184 0.000 0.870 197 T HN 0.581 nan 8.240 nan 0.000 0.445 198 Y N 1.353 121.739 120.300 0.144 0.000 2.081 198 Y HA -0.079 4.475 4.550 0.006 0.000 0.280 198 Y C 2.013 177.973 175.900 0.099 0.000 1.163 198 Y CA 1.397 59.571 58.100 0.124 0.000 1.135 198 Y CB -0.734 37.893 38.460 0.278 0.000 0.970 198 Y HN 0.169 nan 8.280 nan 0.000 0.498 199 L N 0.331 121.498 121.223 -0.093 0.000 2.079 199 L HA -0.254 4.089 4.340 0.005 0.000 0.210 199 L C 2.655 179.400 176.870 -0.207 0.000 1.081 199 L CA 2.178 56.894 54.840 -0.207 0.000 0.752 199 L CB -1.794 40.191 42.059 -0.123 0.000 0.896 199 L HN 0.502 nan 8.230 nan 0.000 0.433 200 H N -0.544 118.418 119.070 -0.181 0.000 2.353 200 H HA -0.122 4.437 4.556 0.005 0.000 0.300 200 H C 1.928 177.271 175.328 0.024 0.000 1.090 200 H CA 1.703 57.731 56.048 -0.033 0.000 1.327 200 H CB 0.133 29.926 29.762 0.051 0.000 1.383 200 H HN 0.343 nan 8.280 nan 0.000 0.508 201 G N 1.080 109.907 108.800 0.045 0.000 2.408 201 G HA2 -0.201 3.761 3.960 0.005 0.000 0.217 201 G HA3 -0.201 3.761 3.960 0.005 0.000 0.217 201 G C 1.835 176.632 174.900 -0.172 0.000 1.150 201 G CA 0.610 45.692 45.100 -0.030 0.000 0.776 201 G HN 0.375 nan 8.290 nan 0.000 0.542 202 L N 1.004 122.010 121.223 -0.361 0.000 2.017 202 L HA -0.028 4.314 4.340 0.005 0.000 0.208 202 L C 2.970 179.695 176.870 -0.241 0.000 1.073 202 L CA 1.392 56.016 54.840 -0.360 0.000 0.745 202 L CB -0.712 41.034 42.059 -0.521 0.000 0.894 202 L HN 0.089 nan 8.230 nan 0.000 0.432 203 V N 0.087 119.840 119.914 -0.268 0.000 2.324 203 V HA -0.289 3.834 4.120 0.005 0.000 0.250 203 V C 2.564 178.476 176.094 -0.304 0.000 1.060 203 V CA 1.921 64.021 62.300 -0.334 0.000 1.042 203 V CB -1.598 29.917 31.823 -0.513 0.000 0.650 203 V HN 0.655 nan 8.190 nan 0.000 0.450 204 G N -0.841 107.859 108.800 -0.165 0.000 2.402 204 G HA2 -0.207 3.756 3.960 0.005 0.000 0.216 204 G HA3 -0.207 3.756 3.960 0.005 0.000 0.216 204 G C 1.746 176.609 174.900 -0.063 0.000 1.162 204 G CA 0.583 45.663 45.100 -0.034 0.000 0.777 204 G HN 0.407 nan 8.290 nan 0.000 0.539 205 R N 0.239 120.693 120.500 -0.077 0.000 2.081 205 R HA -0.007 4.336 4.340 0.005 0.000 0.235 205 R C 2.644 178.899 176.300 -0.075 0.000 1.131 205 R CA 1.462 57.522 56.100 -0.067 0.000 0.960 205 R CB -0.182 30.076 30.300 -0.070 0.000 0.856 205 R HN 0.264 nan 8.270 nan 0.000 0.436 206 K N 0.271 120.609 120.400 -0.104 0.000 2.097 206 K HA -0.194 4.129 4.320 0.005 0.000 0.205 206 K C 2.186 178.727 176.600 -0.097 0.000 1.050 206 K CA 1.166 57.393 56.287 -0.100 0.000 0.938 206 K CB -0.042 32.386 32.500 -0.120 0.000 0.718 206 K HN 0.208 nan 8.250 nan 0.000 0.442 207 Q N 0.447 120.177 119.800 -0.117 0.000 2.135 207 Q HA -0.170 4.173 4.340 0.005 0.000 0.204 207 Q C 1.778 177.739 176.000 -0.065 0.000 0.981 207 Q CA 1.695 57.438 55.803 -0.100 0.000 0.856 207 Q CB -0.040 28.629 28.738 -0.115 0.000 0.902 207 Q HN 0.327 nan 8.270 nan 0.000 0.425 208 A N -0.097 122.691 122.820 -0.053 0.000 2.072 208 A HA -0.013 4.309 4.320 0.005 0.000 0.216 208 A C 0.709 178.271 177.584 -0.036 0.000 1.156 208 A CA 0.762 52.777 52.037 -0.037 0.000 0.701 208 A CB 0.225 19.209 19.000 -0.027 0.000 0.816 208 A HN 0.405 nan 8.150 nan 0.000 0.458 209 E N 0.354 120.529 120.200 -0.042 0.000 2.908 209 E HA 0.314 4.667 4.350 0.005 0.000 0.291 209 E C -3.001 173.573 176.600 -0.043 0.000 1.154 209 E CA -1.932 54.446 56.400 -0.037 0.000 0.784 209 E CB 1.075 30.757 29.700 -0.030 0.000 1.500 209 E HN 0.091 nan 8.360 nan 0.000 0.382 210 P HA 0.081 nan 4.420 nan 0.000 0.268 210 P C -0.333 176.940 177.300 -0.044 0.000 1.204 210 P CA 0.024 63.093 63.100 -0.051 0.000 0.768 210 P CB 1.010 32.680 31.700 -0.051 0.000 0.842 211 E N 1.115 121.286 120.200 -0.048 0.000 2.762 211 E HA 0.311 4.664 4.350 0.005 0.000 0.193 211 E C -0.850 175.723 176.600 -0.046 0.000 0.700 211 E CA -0.326 56.049 56.400 -0.041 0.000 1.196 211 E CB 0.137 29.818 29.700 -0.033 0.000 1.804 211 E HN 0.386 nan 8.360 nan 0.000 0.381 212 D N -1.025 119.349 120.400 -0.043 0.000 2.278 212 D HA 0.572 5.215 4.640 0.005 0.000 0.245 212 D C -0.555 175.710 176.300 -0.058 0.000 1.052 212 D CA -0.017 53.954 54.000 -0.049 0.000 0.834 212 D CB 1.149 41.924 40.800 -0.041 0.000 1.194 212 D HN 0.564 nan 8.370 nan 0.000 0.481 213 G N 1.894 110.648 108.800 -0.076 0.000 2.361 213 G HA2 -0.071 3.892 3.960 0.005 0.000 0.305 213 G HA3 -0.071 3.892 3.960 0.005 0.000 0.305 213 G C 0.160 174.989 174.900 -0.119 0.000 1.367 213 G CA -0.406 44.635 45.100 -0.097 0.000 0.951 213 G HN 0.640 nan 8.290 nan 0.000 0.615 214 L N 0.295 121.426 121.223 -0.153 0.000 2.042 214 L HA 0.002 4.345 4.340 0.005 0.000 0.210 214 L C 2.815 179.609 176.870 -0.127 0.000 1.076 214 L CA 1.808 56.549 54.840 -0.164 0.000 0.749 214 L CB -0.432 41.491 42.059 -0.227 0.000 0.893 214 L HN 0.640 nan 8.230 nan 0.000 0.432 215 L N -0.243 120.906 121.223 -0.124 0.000 1.990 215 L HA -0.318 4.024 4.340 0.005 0.000 0.213 215 L C 2.403 179.201 176.870 -0.119 0.000 1.072 215 L CA 1.970 56.736 54.840 -0.124 0.000 0.755 215 L CB -1.041 40.939 42.059 -0.130 0.000 0.889 215 L HN 0.404 nan 8.230 nan 0.000 0.432 216 D N -0.135 120.200 120.400 -0.107 0.000 2.104 216 D HA -0.210 4.433 4.640 0.005 0.000 0.194 216 D C 2.033 178.280 176.300 -0.088 0.000 0.994 216 D CA 1.571 55.513 54.000 -0.096 0.000 0.830 216 D CB -0.109 40.642 40.800 -0.081 0.000 0.959 216 D HN 0.484 nan 8.370 nan 0.000 0.452 217 E N 0.238 120.386 120.200 -0.087 0.000 2.077 217 E HA -0.159 4.194 4.350 0.005 0.000 0.193 217 E C 2.091 178.647 176.600 -0.073 0.000 0.989 217 E CA 0.419 56.773 56.400 -0.077 0.000 0.800 217 E CB -0.032 29.619 29.700 -0.081 0.000 0.746 217 E HN 0.109 nan 8.360 nan 0.000 0.452 218 L N 0.809 121.983 121.223 -0.082 0.000 2.072 218 L HA -0.051 4.291 4.340 0.005 0.000 0.205 218 L C 1.936 178.755 176.870 -0.085 0.000 1.079 218 L CA 1.370 56.164 54.840 -0.076 0.000 0.752 218 L CB -0.247 41.765 42.059 -0.079 0.000 0.906 218 L HN 0.101 nan 8.230 nan 0.000 0.436 219 I N 0.153 120.661 120.570 -0.104 0.000 2.151 219 I HA -0.348 3.825 4.170 0.005 0.000 0.243 219 I C 2.613 178.679 176.117 -0.085 0.000 1.080 219 I CA 1.476 62.708 61.300 -0.113 0.000 1.339 219 I CB -0.675 37.244 38.000 -0.135 0.000 1.039 219 I HN 0.400 nan 8.210 nan 0.000 0.409 220 A N 0.363 123.139 122.820 -0.074 0.000 1.898 220 A HA -0.239 4.084 4.320 0.005 0.000 0.216 220 A C 2.314 179.867 177.584 -0.051 0.000 1.181 220 A CA 1.730 53.731 52.037 -0.059 0.000 0.620 220 A CB -0.505 18.462 19.000 -0.055 0.000 0.819 220 A HN 0.259 nan 8.150 nan 0.000 0.442 221 R N -0.059 120.410 120.500 -0.052 0.000 2.081 221 R HA -0.114 4.228 4.340 0.005 0.000 0.235 221 R C 2.352 178.626 176.300 -0.043 0.000 1.131 221 R CA 1.964 58.037 56.100 -0.045 0.000 0.960 221 R CB -0.502 29.771 30.300 -0.045 0.000 0.856 221 R HN 0.649 nan 8.270 nan 0.000 0.436 222 Q N -0.365 119.405 119.800 -0.050 0.000 1.993 222 Q HA -0.147 4.196 4.340 0.005 0.000 0.202 222 Q C 1.945 177.921 176.000 -0.039 0.000 0.984 222 Q CA 1.305 57.081 55.803 -0.046 0.000 0.837 222 Q CB -0.337 28.367 28.738 -0.057 0.000 0.902 222 Q HN 0.227 nan 8.270 nan 0.000 0.423 223 L N 1.388 122.585 121.223 -0.045 0.000 2.129 223 L HA -0.206 4.137 4.340 0.005 0.000 0.212 223 L C 2.146 178.998 176.870 -0.030 0.000 1.087 223 L CA 1.596 56.413 54.840 -0.037 0.000 0.757 223 L CB -0.884 41.150 42.059 -0.043 0.000 0.896 223 L HN 0.203 nan 8.230 nan 0.000 0.434 224 E N -0.730 119.452 120.200 -0.031 0.000 2.331 224 E HA -0.227 4.126 4.350 0.005 0.000 0.199 224 E C 1.797 178.384 176.600 -0.022 0.000 1.008 224 E CA 0.937 57.321 56.400 -0.026 0.000 0.843 224 E CB 0.132 29.815 29.700 -0.028 0.000 0.761 224 E HN 0.375 nan 8.360 nan 0.000 0.507 225 E N -2.826 117.362 120.200 -0.021 0.000 2.606 225 E HA 0.258 4.611 4.350 0.005 0.000 0.224 225 E C 0.692 177.284 176.600 -0.013 0.000 0.930 225 E CA 0.613 57.003 56.400 -0.018 0.000 1.125 225 E CB 1.277 30.965 29.700 -0.021 0.000 1.123 225 E HN 0.108 nan 8.360 nan 0.000 0.522 226 G N -0.468 108.325 108.800 -0.012 0.000 4.517 226 G HA2 0.065 4.028 3.960 0.005 0.000 0.258 226 G HA3 0.065 4.028 3.960 0.005 0.000 0.258 226 G C -0.476 174.416 174.900 -0.014 0.000 1.038 226 G CA -0.443 44.648 45.100 -0.015 0.000 0.810 226 G HN -0.054 nan 8.290 nan 0.000 0.383 227 D N 1.295 121.690 120.400 -0.009 0.000 2.277 227 D HA 0.228 4.870 4.640 0.005 0.000 0.249 227 D C -0.117 176.178 176.300 -0.008 0.000 1.134 227 D CA -0.281 53.716 54.000 -0.005 0.000 0.863 227 D CB 2.657 43.460 40.800 0.004 0.000 1.143 227 D HN 0.078 nan 8.370 nan 0.000 0.458 228 L N 3.195 124.410 121.223 -0.013 0.000 2.462 228 L HA 0.045 4.388 4.340 0.005 0.000 0.272 228 L C 0.032 176.903 176.870 0.001 0.000 1.166 228 L CA 0.245 55.069 54.840 -0.027 0.000 0.880 228 L CB 0.471 42.500 42.059 -0.050 0.000 1.142 228 L HN 0.181 nan 8.230 nan 0.000 0.473 229 D N 3.003 123.400 120.400 -0.005 0.000 2.467 229 D HA 0.092 4.735 4.640 0.005 0.000 0.220 229 D C 0.845 177.167 176.300 0.037 0.000 1.103 229 D CA 0.072 54.090 54.000 0.030 0.000 0.886 229 D CB 0.496 41.310 40.800 0.024 0.000 1.025 229 D HN 0.728 nan 8.370 nan 0.000 0.514 230 H N 2.319 121.372 119.070 -0.028 0.000 2.357 230 H HA -0.124 4.435 4.556 0.004 0.000 0.301 230 H C 1.290 176.588 175.328 -0.050 0.000 1.082 230 H CA 1.911 57.914 56.048 -0.075 0.000 1.342 230 H CB 0.577 30.288 29.762 -0.086 0.000 1.389 230 H HN 0.441 nan 8.280 nan 0.000 0.511 231 D N -0.263 120.269 120.400 0.221 0.000 2.183 231 D HA -0.147 4.496 4.640 0.005 0.000 0.203 231 D C 2.159 178.520 176.300 0.102 0.000 0.969 231 D CA 1.050 55.178 54.000 0.214 0.000 0.842 231 D CB -0.073 40.879 40.800 0.253 0.000 0.957 231 D HN 0.512 nan 8.370 nan 0.000 0.484 232 E N -0.352 119.886 120.200 0.064 0.000 2.072 232 E HA -0.138 4.215 4.350 0.005 0.000 0.191 232 E C 2.080 178.659 176.600 -0.036 0.000 0.985 232 E CA 0.889 57.301 56.400 0.020 0.000 0.801 232 E CB 0.146 29.856 29.700 0.016 0.000 0.750 232 E HN 0.167 nan 8.360 nan 0.000 0.452 233 V N 0.747 120.619 119.914 -0.069 0.000 2.287 233 V HA -0.268 3.855 4.120 0.005 0.000 0.248 233 V C 2.469 178.472 176.094 -0.152 0.000 1.053 233 V CA 1.534 63.759 62.300 -0.124 0.000 1.027 233 V CB -0.435 31.275 31.823 -0.188 0.000 0.646 233 V HN 0.205 nan 8.190 nan 0.000 0.447 234 V N -0.735 119.070 119.914 -0.181 0.000 2.343 234 V HA -0.296 3.826 4.120 0.005 0.000 0.247 234 V C 2.490 178.429 176.094 -0.258 0.000 1.051 234 V CA 1.974 64.099 62.300 -0.291 0.000 1.036 234 V CB -0.574 30.951 31.823 -0.497 0.000 0.654 234 V HN 0.416 nan 8.190 nan 0.000 0.451 235 M N -1.097 118.414 119.600 -0.149 0.000 2.175 235 M HA -0.073 4.410 4.480 0.005 0.000 0.264 235 M C 2.147 178.363 176.300 -0.141 0.000 1.063 235 M CA 1.761 57.004 55.300 -0.095 0.000 1.119 235 M CB -0.899 31.716 32.600 0.025 0.000 1.377 235 M HN 0.291 nan 8.290 nan 0.000 0.415 236 I N 0.043 120.549 120.570 -0.107 0.000 2.163 236 I HA -0.258 3.915 4.170 0.005 0.000 0.240 236 I C 2.565 178.630 176.117 -0.085 0.000 1.081 236 I CA 1.193 62.440 61.300 -0.089 0.000 1.353 236 I CB -0.543 37.420 38.000 -0.060 0.000 1.054 236 I HN 0.208 nan 8.210 nan 0.000 0.407 237 A N 0.819 123.583 122.820 -0.093 0.000 1.927 237 A HA -0.227 4.096 4.320 0.005 0.000 0.220 237 A C 2.288 179.828 177.584 -0.074 0.000 1.185 237 A CA 1.752 53.746 52.037 -0.071 0.000 0.639 237 A CB -0.954 17.993 19.000 -0.088 0.000 0.820 237 A HN 0.423 nan 8.150 nan 0.000 0.451 238 L N -0.869 120.266 121.223 -0.148 0.000 2.109 238 L HA -0.114 4.229 4.340 0.005 0.000 0.207 238 L C 2.513 179.291 176.870 -0.153 0.000 1.086 238 L CA 0.749 55.484 54.840 -0.175 0.000 0.760 238 L CB -0.392 41.523 42.059 -0.240 0.000 0.910 238 L HN 0.253 nan 8.230 nan 0.000 0.437 239 V N 0.252 120.020 119.914 -0.244 0.000 2.343 239 V HA -0.304 3.819 4.120 0.005 0.000 0.247 239 V C 2.411 178.494 176.094 -0.018 0.000 1.051 239 V CA 1.674 63.832 62.300 -0.237 0.000 1.036 239 V CB -0.422 31.248 31.823 -0.253 0.000 0.654 239 V HN 0.346 nan 8.190 nan 0.000 0.451 240 L N -0.817 120.414 121.223 0.013 0.000 2.042 240 L HA -0.223 4.120 4.340 0.005 0.000 0.210 240 L C 2.464 179.406 176.870 0.120 0.000 1.076 240 L CA 1.511 56.407 54.840 0.093 0.000 0.749 240 L CB -0.643 41.486 42.059 0.116 0.000 0.893 240 L HN 0.352 nan 8.230 nan 0.000 0.432 241 L N -0.668 120.610 121.223 0.091 0.000 2.005 241 L HA -0.136 4.207 4.340 0.005 0.000 0.207 241 L C 2.360 179.330 176.870 0.167 0.000 1.072 241 L CA 1.598 56.509 54.840 0.118 0.000 0.744 241 L CB -0.328 41.757 42.059 0.043 0.000 0.895 241 L HN -0.104 nan 8.230 nan 0.000 0.433 242 V N 0.188 120.193 119.914 0.153 0.000 2.358 242 V HA -0.244 3.879 4.120 0.005 0.000 0.246 242 V C 2.781 179.072 176.094 0.328 0.000 1.047 242 V CA 1.569 64.049 62.300 0.299 0.000 1.035 242 V CB -1.247 30.815 31.823 0.398 0.000 0.658 242 V HN 0.608 nan 8.190 nan 0.000 0.452 243 A N 0.092 123.073 122.820 0.269 0.000 1.969 243 A HA -0.011 4.311 4.320 0.005 0.000 0.218 243 A C 2.195 179.915 177.584 0.226 0.000 1.169 243 A CA 1.805 53.993 52.037 0.252 0.000 0.635 243 A CB -0.650 18.476 19.000 0.209 0.000 0.810 243 A HN 0.567 nan 8.150 nan 0.000 0.445 244 G N -3.175 105.760 108.800 0.225 0.000 3.044 244 G HA2 0.146 4.108 3.960 0.005 0.000 0.223 244 G HA3 0.146 4.108 3.960 0.005 0.000 0.223 244 G C 1.204 176.244 174.900 0.234 0.000 1.123 244 G CA 0.614 45.842 45.100 0.213 0.000 0.765 244 G HN 0.638 nan 8.290 nan 0.000 0.546 245 H N 0.363 119.530 119.070 0.162 0.000 2.283 245 H HA 0.162 4.720 4.556 0.004 0.000 0.320 245 H C 2.085 177.501 175.328 0.147 0.000 1.074 245 H CA 1.025 57.163 56.048 0.151 0.000 1.476 245 H CB 0.272 30.134 29.762 0.166 0.000 1.465 245 H HN 0.348 nan 8.280 nan 0.000 0.573 246 E N 0.073 120.305 120.200 0.053 0.000 2.110 246 E HA -0.146 4.207 4.350 0.005 0.000 0.193 246 E C 2.102 178.696 176.600 -0.011 0.000 0.988 246 E CA 1.959 58.337 56.400 -0.036 0.000 0.804 246 E CB 0.095 29.846 29.700 0.085 0.000 0.745 246 E HN 0.626 nan 8.360 nan 0.000 0.458 247 T N -2.021 112.572 114.554 0.064 0.000 2.788 247 T HA -0.121 4.232 4.350 0.005 0.000 0.268 247 T C 1.961 176.694 174.700 0.055 0.000 1.044 247 T CA 1.694 63.836 62.100 0.070 0.000 1.139 247 T CB -0.674 68.267 68.868 0.122 0.000 0.867 247 T HN 0.024 nan 8.240 nan 0.000 0.454 248 T N 1.727 116.316 114.554 0.058 0.000 2.857 248 T HA 0.029 4.382 4.350 0.005 0.000 0.266 248 T C 2.172 176.873 174.700 0.001 0.000 1.048 248 T CA 0.916 63.051 62.100 0.058 0.000 1.139 248 T CB -0.536 68.381 68.868 0.082 0.000 0.874 248 T HN 0.244 nan 8.240 nan 0.000 0.455 249 V N 2.734 122.603 119.914 -0.075 0.000 2.255 249 V HA -0.211 3.912 4.120 0.005 0.000 0.247 249 V C 2.458 178.538 176.094 -0.024 0.000 1.051 249 V CA 1.636 63.882 62.300 -0.091 0.000 1.018 249 V CB -0.656 31.054 31.823 -0.188 0.000 0.641 249 V HN 0.429 nan 8.190 nan 0.000 0.445 250 N N 0.479 119.169 118.700 -0.017 0.000 2.149 250 N HA -0.130 4.613 4.740 0.005 0.000 0.188 250 N C 1.814 177.340 175.510 0.026 0.000 1.019 250 N CA 1.704 54.757 53.050 0.006 0.000 0.857 250 N CB -0.545 37.943 38.487 0.001 0.000 0.997 250 N HN 0.519 nan 8.380 nan 0.000 0.426 251 A N 0.942 123.780 122.820 0.030 0.000 1.898 251 A HA -0.005 4.318 4.320 0.005 0.000 0.216 251 A C 2.322 179.943 177.584 0.061 0.000 1.181 251 A CA 0.701 52.759 52.037 0.036 0.000 0.620 251 A CB -0.549 18.475 19.000 0.039 0.000 0.819 251 A HN 0.191 nan 8.150 nan 0.000 0.442 252 I N -0.209 120.403 120.570 0.070 0.000 2.127 252 I HA -0.307 3.866 4.170 0.005 0.000 0.241 252 I C 2.990 179.191 176.117 0.139 0.000 1.075 252 I CA 1.314 62.680 61.300 0.111 0.000 1.334 252 I CB -0.393 37.656 38.000 0.081 0.000 1.040 252 I HN 0.365 nan 8.210 nan 0.000 0.405 253 A N 0.453 123.338 122.820 0.107 0.000 1.854 253 A HA -0.164 4.158 4.320 0.005 0.000 0.214 253 A C 2.204 179.854 177.584 0.109 0.000 1.192 253 A CA 1.241 53.348 52.037 0.117 0.000 0.611 253 A CB -0.824 18.227 19.000 0.084 0.000 0.832 253 A HN 0.350 nan 8.150 nan 0.000 0.442 254 L N 0.347 121.620 121.223 0.084 0.000 2.141 254 L HA 0.009 4.352 4.340 0.005 0.000 0.209 254 L C 2.357 179.277 176.870 0.083 0.000 1.094 254 L CA 2.040 56.935 54.840 0.092 0.000 0.763 254 L CB -1.165 40.935 42.059 0.068 0.000 0.908 254 L HN 0.325 nan 8.230 nan 0.000 0.437 255 G N -0.959 107.879 108.800 0.064 0.000 2.446 255 G HA2 -0.290 3.673 3.960 0.005 0.000 0.217 255 G HA3 -0.290 3.673 3.960 0.005 0.000 0.217 255 G C 1.624 176.566 174.900 0.070 0.000 1.168 255 G CA 0.946 46.065 45.100 0.032 0.000 0.771 255 G HN 0.612 nan 8.290 nan 0.000 0.551 256 A N 0.542 123.473 122.820 0.185 0.000 1.883 256 A HA -0.001 4.322 4.320 0.005 0.000 0.217 256 A C 2.380 180.108 177.584 0.240 0.000 1.186 256 A CA 1.845 54.074 52.037 0.319 0.000 0.624 256 A CB -0.621 18.540 19.000 0.269 0.000 0.822 256 A HN 0.485 nan 8.150 nan 0.000 0.444 257 L N 0.052 121.377 121.223 0.170 0.000 2.013 257 L HA -0.177 4.166 4.340 0.005 0.000 0.212 257 L C 2.417 179.363 176.870 0.126 0.000 1.073 257 L CA 2.939 57.880 54.840 0.170 0.000 0.753 257 L CB -1.379 40.790 42.059 0.184 0.000 0.890 257 L HN 0.403 nan 8.230 nan 0.000 0.432 258 T N -0.312 114.244 114.554 0.004 0.000 2.788 258 T HA -0.165 4.188 4.350 0.005 0.000 0.268 258 T C 1.993 176.527 174.700 -0.276 0.000 1.044 258 T CA 1.794 63.723 62.100 -0.285 0.000 1.139 258 T CB -0.272 68.268 68.868 -0.547 0.000 0.867 258 T HN 0.309 nan 8.240 nan 0.000 0.454 259 L N 0.012 121.093 121.223 -0.235 0.000 2.072 259 L HA 0.083 4.426 4.340 0.005 0.000 0.205 259 L C 2.380 179.184 176.870 -0.110 0.000 1.079 259 L CA 0.879 55.554 54.840 -0.276 0.000 0.752 259 L CB -0.379 41.334 42.059 -0.576 0.000 0.906 259 L HN 0.246 nan 8.230 nan 0.000 0.436 260 I N -0.513 120.095 120.570 0.065 0.000 2.264 260 I HA -0.299 3.874 4.170 0.005 0.000 0.248 260 I C 2.264 178.417 176.117 0.061 0.000 1.111 260 I CA 1.087 62.477 61.300 0.150 0.000 1.382 260 I CB -0.194 37.932 38.000 0.210 0.000 1.060 260 I HN 0.370 nan 8.210 nan 0.000 0.418 261 Q N -0.330 119.483 119.800 0.022 0.000 2.472 261 Q HA -0.001 4.342 4.340 0.005 0.000 0.208 261 Q C 0.293 176.092 176.000 -0.337 0.000 0.958 261 Q CA 0.940 56.691 55.803 -0.087 0.000 0.932 261 Q CB -0.003 28.733 28.738 -0.003 0.000 1.007 261 Q HN 0.615 nan 8.270 nan 0.000 0.508 262 H N -0.073 118.949 119.070 -0.081 0.000 2.535 262 H HA 0.162 4.721 4.556 0.004 0.000 0.232 262 H C -1.632 173.676 175.328 -0.034 0.000 1.405 262 H CA -1.413 54.607 56.048 -0.045 0.000 1.224 262 H CB 1.118 30.877 29.762 -0.005 0.000 1.763 262 H HN 0.060 nan 8.280 nan 0.000 0.529 263 P HA -0.172 nan 4.420 nan 0.000 0.220 263 P C 1.479 178.793 177.300 0.024 0.000 1.148 263 P CA 1.013 64.128 63.100 0.025 0.000 0.803 263 P CB 0.380 32.102 31.700 0.036 0.000 0.782 264 E N 0.988 121.207 120.200 0.032 0.000 2.463 264 E HA -0.200 4.152 4.350 0.005 0.000 0.201 264 E C 1.127 177.731 176.600 0.007 0.000 1.045 264 E CA 1.113 57.525 56.400 0.020 0.000 0.872 264 E CB -0.612 29.101 29.700 0.021 0.000 0.797 264 E HN 0.422 nan 8.360 nan 0.000 0.538 265 Q N -0.317 119.493 119.800 0.016 0.000 2.189 265 Q HA 0.327 4.670 4.340 0.005 0.000 0.223 265 Q C 1.955 177.925 176.000 -0.049 0.000 0.828 265 Q CA -0.263 55.526 55.803 -0.023 0.000 0.967 265 Q CB 0.421 29.138 28.738 -0.035 0.000 1.139 265 Q HN 0.220 nan 8.270 nan 0.000 0.497 266 I N 2.594 123.122 120.570 -0.071 0.000 2.335 266 I HA -0.307 3.866 4.170 0.005 0.000 0.251 266 I C 2.114 178.198 176.117 -0.056 0.000 1.129 266 I CA 1.459 62.673 61.300 -0.142 0.000 1.402 266 I CB -0.231 37.688 38.000 -0.134 0.000 1.069 266 I HN 0.355 nan 8.210 nan 0.000 0.424 267 D N 0.933 121.323 120.400 -0.017 0.000 2.221 267 D HA -0.161 4.481 4.640 0.005 0.000 0.204 267 D C 2.013 178.308 176.300 -0.008 0.000 0.982 267 D CA 1.232 55.234 54.000 0.003 0.000 0.857 267 D CB -0.677 40.125 40.800 0.002 0.000 0.934 267 D HN 0.274 nan 8.370 nan 0.000 0.475 268 V N 0.648 120.543 119.914 -0.032 0.000 2.594 268 V HA -0.207 3.916 4.120 0.005 0.000 0.253 268 V C 2.519 178.606 176.094 -0.012 0.000 1.069 268 V CA 0.844 63.123 62.300 -0.035 0.000 1.082 268 V CB -0.506 31.276 31.823 -0.069 0.000 0.680 268 V HN 0.157 nan 8.190 nan 0.000 0.469 269 L N -0.584 120.635 121.223 -0.006 0.000 2.291 269 L HA 0.042 4.385 4.340 0.005 0.000 0.214 269 L C 1.791 178.694 176.870 0.056 0.000 1.120 269 L CA 1.638 56.497 54.840 0.032 0.000 0.799 269 L CB -0.578 41.502 42.059 0.036 0.000 0.925 269 L HN 0.297 nan 8.230 nan 0.000 0.446 270 L N -1.790 119.461 121.223 0.047 0.000 2.628 270 L HA 0.131 4.474 4.340 0.005 0.000 0.229 270 L C 1.235 178.122 176.870 0.029 0.000 1.137 270 L CA -0.163 54.708 54.840 0.051 0.000 0.909 270 L CB -0.187 41.909 42.059 0.061 0.000 1.137 270 L HN 0.122 nan 8.230 nan 0.000 0.470 271 R N 0.161 120.673 120.500 0.021 0.000 2.745 271 R HA 0.251 4.594 4.340 0.005 0.000 0.214 271 R C -0.150 176.160 176.300 0.016 0.000 1.456 271 R CA -0.820 55.288 56.100 0.012 0.000 0.974 271 R CB 0.199 30.501 30.300 0.003 0.000 2.210 271 R HN 0.056 nan 8.270 nan 0.000 0.520 272 D N 0.817 121.224 120.400 0.012 0.000 2.360 272 D HA 0.011 4.654 4.640 0.005 0.000 0.242 272 D C -1.868 174.444 176.300 0.021 0.000 1.184 272 D CA -1.261 52.748 54.000 0.015 0.000 0.930 272 D CB 0.267 41.073 40.800 0.011 0.000 1.161 272 D HN 0.070 nan 8.370 nan 0.000 0.447 273 P HA -0.125 nan 4.420 nan 0.000 0.217 273 P C 1.551 178.869 177.300 0.030 0.000 1.148 273 P CA 1.851 64.970 63.100 0.031 0.000 0.834 273 P CB -0.108 31.610 31.700 0.030 0.000 0.783 274 G N -0.264 108.549 108.800 0.023 0.000 2.408 274 G HA2 -0.185 3.777 3.960 0.005 0.000 0.217 274 G HA3 -0.185 3.777 3.960 0.005 0.000 0.217 274 G C 1.625 176.535 174.900 0.015 0.000 1.150 274 G CA 0.773 45.885 45.100 0.021 0.000 0.776 274 G HN 0.323 nan 8.290 nan 0.000 0.542 275 A N 0.244 123.069 122.820 0.009 0.000 1.933 275 A HA 0.088 4.411 4.320 0.005 0.000 0.218 275 A C 2.577 180.166 177.584 0.007 0.000 1.175 275 A CA 1.723 53.759 52.037 -0.001 0.000 0.628 275 A CB -0.523 18.473 19.000 -0.006 0.000 0.814 275 A HN 0.239 nan 8.150 nan 0.000 0.444 276 V N 0.076 120.005 119.914 0.025 0.000 2.343 276 V HA -0.217 3.906 4.120 0.005 0.000 0.247 276 V C 2.919 179.042 176.094 0.049 0.000 1.051 276 V CA 2.327 64.653 62.300 0.042 0.000 1.036 276 V CB -0.789 31.069 31.823 0.058 0.000 0.654 276 V HN 0.754 nan 8.190 nan 0.000 0.451 277 S N 0.810 116.539 115.700 0.049 0.000 2.399 277 S HA -0.105 4.368 4.470 0.005 0.000 0.231 277 S C 2.064 176.696 174.600 0.054 0.000 1.022 277 S CA 1.734 59.971 58.200 0.062 0.000 0.983 277 S CB -0.550 62.686 63.200 0.061 0.000 0.803 277 S HN 0.583 nan 8.310 nan 0.000 0.480 278 G N 0.905 109.721 108.800 0.027 0.000 2.408 278 G HA2 -0.096 3.866 3.960 0.005 0.000 0.217 278 G HA3 -0.096 3.866 3.960 0.005 0.000 0.217 278 G C 1.469 176.358 174.900 -0.018 0.000 1.150 278 G CA 0.994 46.095 45.100 0.002 0.000 0.776 278 G HN 0.489 nan 8.290 nan 0.000 0.542 279 V N 0.623 120.531 119.914 -0.010 0.000 2.295 279 V HA -0.182 3.941 4.120 0.005 0.000 0.246 279 V C 3.003 179.132 176.094 0.059 0.000 1.049 279 V CA 1.481 63.787 62.300 0.010 0.000 1.024 279 V CB -0.561 31.283 31.823 0.035 0.000 0.648 279 V HN 0.239 nan 8.190 nan 0.000 0.447 280 V N 0.027 119.977 119.914 0.061 0.000 2.287 280 V HA -0.237 3.886 4.120 0.005 0.000 0.248 280 V C 2.664 178.776 176.094 0.029 0.000 1.053 280 V CA 2.033 64.374 62.300 0.069 0.000 1.027 280 V CB -0.674 31.210 31.823 0.102 0.000 0.646 280 V HN 0.566 nan 8.190 nan 0.000 0.447 281 E N -0.010 120.216 120.200 0.042 0.000 2.085 281 E HA -0.265 4.088 4.350 0.005 0.000 0.194 281 E C 2.183 178.705 176.600 -0.129 0.000 0.994 281 E CA 1.614 58.020 56.400 0.010 0.000 0.801 281 E CB -0.325 29.456 29.700 0.136 0.000 0.743 281 E HN 0.705 nan 8.360 nan 0.000 0.453 282 E N 0.944 121.107 120.200 -0.061 0.000 2.150 282 E HA -0.080 4.273 4.350 0.005 0.000 0.193 282 E C 2.144 178.787 176.600 0.072 0.000 0.985 282 E CA 0.578 56.938 56.400 -0.066 0.000 0.814 282 E CB -0.268 29.321 29.700 -0.183 0.000 0.752 282 E HN 0.201 nan 8.360 nan 0.000 0.466 283 L N -0.191 121.101 121.223 0.115 0.000 2.056 283 L HA -0.121 4.222 4.340 0.005 0.000 0.207 283 L C 2.423 179.263 176.870 -0.051 0.000 1.078 283 L CA 0.781 55.675 54.840 0.089 0.000 0.749 283 L CB -0.347 41.733 42.059 0.035 0.000 0.901 283 L HN 0.215 nan 8.230 nan 0.000 0.433 284 L N -0.579 120.511 121.223 -0.221 0.000 2.012 284 L HA -0.259 4.084 4.340 0.005 0.000 0.210 284 L C 2.854 179.481 176.870 -0.405 0.000 1.073 284 L CA 1.425 56.010 54.840 -0.424 0.000 0.748 284 L CB -0.543 41.053 42.059 -0.771 0.000 0.891 284 L HN 0.247 nan 8.230 nan 0.000 0.431 285 R N -0.355 119.876 120.500 -0.447 0.000 2.070 285 R HA -0.217 4.126 4.340 0.005 0.000 0.233 285 R C 2.442 178.704 176.300 -0.063 0.000 1.137 285 R CA 1.932 57.882 56.100 -0.250 0.000 0.945 285 R CB -0.395 29.730 30.300 -0.292 0.000 0.845 285 R HN 0.238 nan 8.270 nan 0.000 0.430 286 F N 0.732 120.602 119.950 -0.134 0.000 2.163 286 F HA -0.079 4.451 4.527 0.005 0.000 0.297 286 F C 2.128 177.914 175.800 -0.024 0.000 1.094 286 F CA 1.726 59.696 58.000 -0.050 0.000 1.290 286 F CB -0.323 38.694 39.000 0.029 0.000 1.017 286 F HN -0.060 nan 8.300 nan 0.000 0.483 287 T N -0.618 113.921 114.554 -0.026 0.000 3.035 287 T HA -0.016 4.336 4.350 0.005 0.000 0.259 287 T C 0.810 175.466 174.700 -0.073 0.000 1.078 287 T CA 0.991 63.047 62.100 -0.073 0.000 1.132 287 T CB -0.355 68.522 68.868 0.014 0.000 0.900 287 T HN 0.230 nan 8.240 nan 0.000 0.480 288 S N 1.080 116.739 115.700 -0.068 0.000 3.280 288 S HA -0.142 4.331 4.470 0.005 0.000 0.349 288 S C 1.411 176.004 174.600 -0.012 0.000 0.936 288 S CA -0.076 58.104 58.200 -0.034 0.000 1.301 288 S CB -1.505 61.699 63.200 0.006 0.000 0.907 288 S HN 0.323 nan 8.310 nan 0.000 0.516 289 V N 0.667 120.564 119.914 -0.028 0.000 2.324 289 V HA -0.180 3.943 4.120 0.005 0.000 0.250 289 V C 1.377 177.476 176.094 0.008 0.000 1.060 289 V CA 2.073 64.368 62.300 -0.009 0.000 1.042 289 V CB -0.303 31.515 31.823 -0.010 0.000 0.650 289 V HN 0.785 nan 8.190 nan 0.000 0.450 290 S N 0.179 115.890 115.700 0.018 0.000 2.448 290 S HA 0.146 4.619 4.470 0.005 0.000 0.279 290 S C 0.738 175.361 174.600 0.038 0.000 1.195 290 S CA -0.003 58.209 58.200 0.021 0.000 1.051 290 S CB 1.298 64.530 63.200 0.053 0.000 0.948 290 S HN 0.638 nan 8.310 nan 0.000 0.493 291 D N 1.050 121.474 120.400 0.040 0.000 2.338 291 D HA -0.025 4.617 4.640 0.005 0.000 0.208 291 D C 0.491 176.951 176.300 0.268 0.000 0.997 291 D CA 0.347 54.450 54.000 0.171 0.000 0.880 291 D CB 0.361 41.317 40.800 0.261 0.000 0.980 291 D HN 0.792 nan 8.370 nan 0.000 0.509 292 H N -0.831 118.346 119.070 0.179 0.000 3.046 292 H HA 0.351 4.909 4.556 0.004 0.000 0.361 292 H C -0.850 174.575 175.328 0.161 0.000 1.235 292 H CA -1.142 55.012 56.048 0.177 0.000 1.146 292 H CB 0.489 30.410 29.762 0.265 0.000 1.859 292 H HN 0.089 nan 8.280 nan 0.000 0.548 293 I N -0.178 120.494 120.570 0.170 0.000 2.892 293 I HA 0.741 4.914 4.170 0.005 0.000 0.306 293 I C -1.206 175.033 176.117 0.202 0.000 1.078 293 I CA -1.285 60.109 61.300 0.156 0.000 1.032 293 I CB 2.386 40.474 38.000 0.148 0.000 1.229 293 I HN 0.268 nan 8.210 nan 0.000 0.435 294 V N 4.007 124.060 119.914 0.233 0.000 2.513 294 V HA 0.699 4.821 4.120 0.005 0.000 0.299 294 V C 0.017 176.272 176.094 0.268 0.000 1.035 294 V CA -0.577 61.846 62.300 0.205 0.000 0.889 294 V CB 1.569 33.523 31.823 0.220 0.000 0.988 294 V HN 0.756 nan 8.190 nan 0.000 0.440 295 R N 3.308 123.856 120.500 0.079 0.000 2.831 295 R HA 0.683 5.026 4.340 0.005 0.000 0.266 295 R C -1.141 175.068 176.300 -0.151 0.000 1.051 295 R CA -0.908 55.258 56.100 0.109 0.000 0.943 295 R CB 2.371 32.734 30.300 0.106 0.000 1.228 295 R HN 0.788 nan 8.270 nan 0.000 0.467 296 M N 0.637 120.215 119.600 -0.035 0.000 2.267 296 M HA 0.538 5.020 4.480 0.005 0.000 0.289 296 M C -1.169 175.118 176.300 -0.022 0.000 1.043 296 M CA -0.512 54.716 55.300 -0.120 0.000 0.928 296 M CB 2.135 34.617 32.600 -0.197 0.000 1.613 296 M HN 0.727 nan 8.290 nan 0.000 0.450 297 A N 4.363 127.166 122.820 -0.029 0.000 2.477 297 A HA 0.279 4.602 4.320 0.005 0.000 0.246 297 A C 0.255 177.831 177.584 -0.014 0.000 1.078 297 A CA 0.002 52.030 52.037 -0.015 0.000 0.770 297 A CB 0.317 19.306 19.000 -0.017 0.000 1.011 297 A HN 1.048 nan 8.150 nan 0.000 0.494 298 K N 0.542 120.944 120.400 0.003 0.000 2.348 298 K HA 0.110 4.433 4.320 0.005 0.000 0.194 298 K C -0.064 176.546 176.600 0.016 0.000 1.052 298 K CA 0.771 57.067 56.287 0.015 0.000 1.004 298 K CB 0.363 32.884 32.500 0.036 0.000 0.873 298 K HN 0.872 nan 8.250 nan 0.000 0.523 299 E N 0.472 120.674 120.200 0.004 0.000 2.433 299 E HA 0.156 4.508 4.350 0.005 0.000 0.278 299 E C -1.607 174.984 176.600 -0.014 0.000 0.976 299 E CA -0.946 55.454 56.400 0.001 0.000 0.793 299 E CB 1.345 31.045 29.700 0.000 0.000 1.311 299 E HN -0.078 nan 8.360 nan 0.000 0.460 300 D N 1.054 121.445 120.400 -0.015 0.000 2.506 300 D HA 0.129 4.772 4.640 0.005 0.000 0.234 300 D C -0.470 175.796 176.300 -0.057 0.000 1.143 300 D CA 0.901 54.881 54.000 -0.033 0.000 0.871 300 D CB 0.355 41.141 40.800 -0.023 0.000 1.190 300 D HN 0.243 nan 8.370 nan 0.000 0.459 301 I N 1.674 122.185 120.570 -0.098 0.000 2.468 301 I HA 0.124 4.297 4.170 0.005 0.000 0.285 301 I C 0.042 176.065 176.117 -0.157 0.000 1.039 301 I CA -0.631 60.597 61.300 -0.120 0.000 1.074 301 I CB 1.716 39.632 38.000 -0.141 0.000 1.228 301 I HN 0.071 nan 8.210 nan 0.000 0.436 302 E N 5.994 126.123 120.200 -0.118 0.000 2.194 302 E HA 0.494 4.847 4.350 0.005 0.000 0.284 302 E C -1.128 175.393 176.600 -0.131 0.000 1.035 302 E CA -0.379 55.946 56.400 -0.125 0.000 0.836 302 E CB 1.535 31.186 29.700 -0.081 0.000 1.070 302 E HN 0.360 nan 8.360 nan 0.000 0.401 303 V N 0.038 119.850 119.914 -0.170 0.000 2.777 303 V HA 0.585 4.708 4.120 0.005 0.000 0.306 303 V C 0.630 176.638 176.094 -0.143 0.000 1.112 303 V CA -0.734 61.475 62.300 -0.151 0.000 0.917 303 V CB 1.443 33.156 31.823 -0.183 0.000 1.018 303 V HN 0.826 nan 8.190 nan 0.000 0.426 304 G N 1.767 110.513 108.800 -0.091 0.000 2.305 304 G HA2 0.137 4.099 3.960 0.005 0.000 0.287 304 G HA3 0.137 4.099 3.960 0.005 0.000 0.287 304 G C 1.404 176.272 174.900 -0.054 0.000 1.036 304 G CA 1.213 46.274 45.100 -0.065 0.000 0.887 304 G HN 2.808 nan 8.290 nan 0.000 0.505 305 G N -2.385 106.382 108.800 -0.055 0.000 2.225 305 G HA2 0.182 4.145 3.960 0.005 0.000 0.254 305 G HA3 0.182 4.145 3.960 0.005 0.000 0.254 305 G C 0.752 175.628 174.900 -0.040 0.000 0.988 305 G CA 1.272 46.352 45.100 -0.034 0.000 0.625 305 G HN 2.318 nan 8.290 nan 0.000 0.527 306 A N -0.603 122.160 122.820 -0.094 0.000 2.299 306 A HA 0.872 5.195 4.320 0.005 0.000 0.332 306 A C 0.117 177.574 177.584 -0.211 0.000 1.131 306 A CA 0.503 52.459 52.037 -0.135 0.000 0.844 306 A CB 1.244 20.084 19.000 -0.267 0.000 1.251 306 A HN 0.739 nan 8.150 nan 0.000 0.486 307 T N 2.019 116.463 114.554 -0.182 0.000 2.977 307 T HA 0.374 4.727 4.350 0.005 0.000 0.346 307 T C -0.137 174.426 174.700 -0.230 0.000 1.140 307 T CA 0.053 62.048 62.100 -0.175 0.000 1.040 307 T CB -0.242 68.594 68.868 -0.052 0.000 1.046 307 T HN 0.443 nan 8.240 nan 0.000 0.494 308 I N 4.010 124.280 120.570 -0.499 0.000 2.662 308 I HA 0.078 4.251 4.170 0.005 0.000 0.285 308 I C 0.872 176.934 176.117 -0.092 0.000 1.161 308 I CA 0.182 61.210 61.300 -0.453 0.000 1.415 308 I CB 0.339 37.956 38.000 -0.637 0.000 1.385 308 I HN 0.296 nan 8.210 nan 0.000 0.552 309 K N 5.560 126.012 120.400 0.087 0.000 2.095 309 K HA 0.624 4.947 4.320 0.005 0.000 0.252 309 K C -0.157 176.471 176.600 0.046 0.000 0.977 309 K CA -0.871 55.452 56.287 0.060 0.000 0.900 309 K CB 1.332 33.884 32.500 0.086 0.000 1.060 309 K HN 0.639 nan 8.250 nan 0.000 0.449 310 A N 0.636 123.470 122.820 0.024 0.000 2.567 310 A HA 0.310 4.633 4.320 0.005 0.000 0.240 310 A C 1.248 178.841 177.584 0.015 0.000 1.053 310 A CA 1.232 53.278 52.037 0.016 0.000 0.755 310 A CB -0.968 18.044 19.000 0.020 0.000 0.978 310 A HN 0.968 nan 8.150 nan 0.000 0.507 311 G N 2.062 110.855 108.800 -0.012 0.000 2.241 311 G HA2 -0.205 3.758 3.960 0.005 0.000 0.244 311 G HA3 -0.205 3.758 3.960 0.005 0.000 0.244 311 G C 0.006 174.886 174.900 -0.034 0.000 0.998 311 G CA 0.313 45.393 45.100 -0.032 0.000 0.621 311 G HN 0.846 nan 8.290 nan 0.000 0.519 312 D N 1.768 122.179 120.400 0.018 0.000 2.425 312 D HA 0.535 5.178 4.640 0.005 0.000 0.247 312 D C 0.904 177.207 176.300 0.004 0.000 1.147 312 D CA 0.901 54.937 54.000 0.060 0.000 0.879 312 D CB 1.168 42.129 40.800 0.267 0.000 1.179 312 D HN 0.777 nan 8.370 nan 0.000 0.456 313 A N 2.439 125.218 122.820 -0.070 0.000 2.520 313 A HA 0.325 4.647 4.320 0.005 0.000 0.245 313 A C -0.145 177.431 177.584 -0.014 0.000 1.072 313 A CA -0.229 51.726 52.037 -0.136 0.000 0.761 313 A CB 0.372 19.256 19.000 -0.192 0.000 1.004 313 A HN 0.353 nan 8.150 nan 0.000 0.499 314 V N 4.943 124.834 119.914 -0.039 0.000 2.409 314 V HA 0.275 4.397 4.120 0.005 0.000 0.290 314 V C -0.264 175.803 176.094 -0.045 0.000 1.017 314 V CA -0.406 61.910 62.300 0.027 0.000 0.841 314 V CB 1.187 33.027 31.823 0.029 0.000 1.003 314 V HN 0.738 nan 8.190 nan 0.000 0.426 315 L N 5.235 126.396 121.223 -0.104 0.000 2.289 315 L HA 0.562 4.905 4.340 0.005 0.000 0.285 315 L C -0.317 176.504 176.870 -0.082 0.000 1.049 315 L CA -0.583 54.167 54.840 -0.149 0.000 0.804 315 L CB 1.838 43.629 42.059 -0.447 0.000 1.195 315 L HN 0.346 nan 8.230 nan 0.000 0.428 316 V N 2.388 122.312 119.914 0.017 0.000 2.350 316 V HA 0.124 4.247 4.120 0.005 0.000 0.276 316 V C 0.627 176.776 176.094 0.091 0.000 1.028 316 V CA -0.325 62.003 62.300 0.047 0.000 0.860 316 V CB 1.445 33.313 31.823 0.075 0.000 0.990 316 V HN 0.836 nan 8.190 nan 0.000 0.453 317 S N 5.268 121.004 115.700 0.061 0.000 2.485 317 S HA 0.334 4.807 4.470 0.005 0.000 0.312 317 S C 1.220 175.904 174.600 0.140 0.000 1.102 317 S CA -0.528 57.739 58.200 0.113 0.000 1.066 317 S CB -0.165 63.061 63.200 0.042 0.000 1.102 317 S HN 0.570 nan 8.310 nan 0.000 0.519 318 I N 3.942 124.612 120.570 0.166 0.000 2.151 318 I HA -0.226 3.947 4.170 0.005 0.000 0.243 318 I C 2.578 178.789 176.117 0.156 0.000 1.080 318 I CA 1.533 62.929 61.300 0.159 0.000 1.339 318 I CB -0.659 37.428 38.000 0.145 0.000 1.039 318 I HN 0.553 nan 8.210 nan 0.000 0.409 319 T N 1.263 115.911 114.554 0.157 0.000 2.597 319 T HA -0.221 4.132 4.350 0.005 0.000 0.267 319 T C 1.887 176.672 174.700 0.143 0.000 1.053 319 T CA 1.586 63.769 62.100 0.139 0.000 1.165 319 T CB -0.443 68.531 68.868 0.176 0.000 0.863 319 T HN 0.264 nan 8.240 nan 0.000 0.427 320 L N -0.152 121.162 121.223 0.152 0.000 2.156 320 L HA 0.015 4.358 4.340 0.005 0.000 0.208 320 L C 2.724 179.690 176.870 0.160 0.000 1.095 320 L CA 0.904 55.829 54.840 0.142 0.000 0.770 320 L CB -0.518 41.609 42.059 0.113 0.000 0.914 320 L HN 0.313 nan 8.230 nan 0.000 0.439 321 M N -0.257 119.448 119.600 0.175 0.000 2.082 321 M HA -0.243 4.240 4.480 0.005 0.000 0.258 321 M C 1.862 178.376 176.300 0.356 0.000 1.069 321 M CA 1.766 57.217 55.300 0.251 0.000 1.102 321 M CB -0.481 32.254 32.600 0.224 0.000 1.336 321 M HN 0.248 nan 8.290 nan 0.000 0.404 322 N N -0.194 118.682 118.700 0.293 0.000 2.396 322 N HA -0.053 4.690 4.740 0.005 0.000 0.180 322 N C 0.916 176.539 175.510 0.188 0.000 1.028 322 N CA 0.842 54.042 53.050 0.250 0.000 0.893 322 N CB -0.012 38.552 38.487 0.128 0.000 0.967 322 N HN 0.169 nan 8.380 nan 0.000 0.440 323 R N 0.703 121.314 120.500 0.186 0.000 2.515 323 R HA 0.129 4.472 4.340 0.005 0.000 0.294 323 R C -0.459 175.953 176.300 0.187 0.000 1.021 323 R CA -0.313 55.889 56.100 0.170 0.000 1.081 323 R CB -0.660 29.711 30.300 0.118 0.000 1.263 323 R HN 0.088 nan 8.270 nan 0.000 0.557 324 D N 0.726 121.257 120.400 0.218 0.000 2.338 324 D HA 0.119 4.762 4.640 0.005 0.000 0.255 324 D C 1.066 177.427 176.300 0.101 0.000 1.237 324 D CA -0.035 54.051 54.000 0.143 0.000 0.883 324 D CB 1.239 42.123 40.800 0.140 0.000 1.087 324 D HN 0.149 nan 8.370 nan 0.000 0.485 325 A N 4.923 127.794 122.820 0.085 0.000 2.032 325 A HA -0.222 4.101 4.320 0.005 0.000 0.221 325 A C 1.952 179.534 177.584 -0.003 0.000 1.165 325 A CA 1.344 53.415 52.037 0.057 0.000 0.645 325 A CB -0.247 18.786 19.000 0.055 0.000 0.807 325 A HN 0.650 nan 8.150 nan 0.000 0.453 326 K N -0.652 119.737 120.400 -0.019 0.000 2.283 326 K HA 0.041 4.363 4.320 0.005 0.000 0.202 326 K C 1.964 178.478 176.600 -0.143 0.000 1.048 326 K CA 0.990 57.246 56.287 -0.052 0.000 0.948 326 K CB -0.149 32.335 32.500 -0.026 0.000 0.742 326 K HN 0.480 nan 8.250 nan 0.000 0.458 327 A N -0.162 122.496 122.820 -0.269 0.000 2.014 327 A HA 0.103 4.426 4.320 0.005 0.000 0.210 327 A C -0.097 176.964 177.584 -0.873 0.000 1.188 327 A CA 0.420 52.058 52.037 -0.666 0.000 0.731 327 A CB 0.306 18.614 19.000 -1.154 0.000 0.858 327 A HN 0.156 nan 8.150 nan 0.000 0.464 328 Y N 0.662 120.914 120.300 -0.080 0.000 2.322 328 Y HA 0.362 4.915 4.550 0.005 0.000 0.324 328 Y C -0.171 175.722 175.900 -0.012 0.000 1.027 328 Y CA -1.394 56.680 58.100 -0.044 0.000 1.179 328 Y CB 0.942 39.383 38.460 -0.031 0.000 1.136 328 Y HN 0.166 nan 8.280 nan 0.000 0.449 329 E N 4.003 124.264 120.200 0.102 0.000 2.414 329 E HA -0.017 4.336 4.350 0.005 0.000 0.263 329 E C -0.216 176.436 176.600 0.087 0.000 1.000 329 E CA 0.291 56.732 56.400 0.069 0.000 0.914 329 E CB 0.315 30.038 29.700 0.039 0.000 0.948 329 E HN 0.680 nan 8.360 nan 0.000 0.444 330 N N 3.373 122.119 118.700 0.078 0.000 2.667 330 N HA -0.158 4.585 4.740 0.005 0.000 0.263 330 N C -2.003 173.576 175.510 0.115 0.000 1.038 330 N CA 0.363 53.463 53.050 0.083 0.000 0.749 330 N CB -0.699 37.822 38.487 0.057 0.000 0.892 330 N HN 0.474 nan 8.380 nan 0.000 0.546 331 P HA -0.098 nan 4.420 nan 0.000 0.222 331 P C 0.460 177.887 177.300 0.211 0.000 1.147 331 P CA 1.103 64.312 63.100 0.183 0.000 0.790 331 P CB 0.309 32.124 31.700 0.191 0.000 0.780 332 D N -0.458 120.069 120.400 0.212 0.000 2.328 332 D HA 0.152 4.795 4.640 0.005 0.000 0.221 332 D C 0.839 177.375 176.300 0.394 0.000 1.072 332 D CA 0.133 54.312 54.000 0.298 0.000 0.850 332 D CB 0.203 41.127 40.800 0.207 0.000 0.922 332 D HN 0.297 nan 8.370 nan 0.000 0.516 333 I N 0.952 121.662 120.570 0.233 0.000 2.353 333 I HA 0.147 4.320 4.170 0.005 0.000 0.293 333 I C -0.190 175.841 176.117 -0.143 0.000 0.992 333 I CA -1.010 60.344 61.300 0.090 0.000 1.268 333 I CB 1.249 39.266 38.000 0.029 0.000 1.387 333 I HN -0.208 nan 8.210 nan 0.000 0.478 334 F N 6.903 126.385 119.950 -0.779 0.000 2.421 334 F HA 0.284 4.815 4.527 0.006 0.000 0.358 334 F C -0.235 175.170 175.800 -0.658 0.000 1.115 334 F CA -0.377 56.899 58.000 -1.206 0.000 1.160 334 F CB 0.352 38.077 39.000 -2.126 0.000 1.123 334 F HN 0.335 nan 8.300 nan 0.000 0.508 335 D N 5.229 125.009 120.400 -1.033 0.000 2.389 335 D HA 0.314 4.957 4.640 0.005 0.000 0.256 335 D C 0.614 176.392 176.300 -0.869 0.000 1.239 335 D CA -0.124 53.391 54.000 -0.809 0.000 0.925 335 D CB 1.549 42.112 40.800 -0.394 0.000 1.145 335 D HN 0.661 nan 8.370 nan 0.000 0.542 336 A N 3.840 126.012 122.820 -1.081 0.000 2.139 336 A HA -0.151 4.172 4.320 0.005 0.000 0.221 336 A C 1.776 179.147 177.584 -0.355 0.000 1.159 336 A CA 1.133 52.747 52.037 -0.705 0.000 0.662 336 A CB -0.077 18.621 19.000 -0.504 0.000 0.796 336 A HN 0.566 nan 8.150 nan 0.000 0.463 337 R N -0.753 119.566 120.500 -0.301 0.000 2.362 337 R HA 0.092 4.435 4.340 0.005 0.000 0.227 337 R C 0.766 176.985 176.300 -0.136 0.000 0.905 337 R CA -0.039 55.958 56.100 -0.172 0.000 1.067 337 R CB 0.148 30.367 30.300 -0.135 0.000 1.078 337 R HN 0.710 nan 8.270 nan 0.000 0.516 338 R N 1.168 121.566 120.500 -0.170 0.000 2.774 338 R HA 0.017 4.360 4.340 0.005 0.000 0.269 338 R C -0.257 176.023 176.300 -0.034 0.000 1.068 338 R CA -0.205 55.840 56.100 -0.091 0.000 1.180 338 R CB 0.276 30.522 30.300 -0.090 0.000 1.077 338 R HN -0.022 nan 8.270 nan 0.000 0.513 339 N N 0.719 119.435 118.700 0.026 0.000 2.401 339 N HA 0.115 4.858 4.740 0.005 0.000 0.255 339 N C -0.684 174.911 175.510 0.142 0.000 1.110 339 N CA -0.121 52.971 53.050 0.070 0.000 0.949 339 N CB 0.925 39.460 38.487 0.081 0.000 1.110 339 N HN 0.715 nan 8.380 nan 0.000 0.490 340 A N 4.352 127.240 122.820 0.113 0.000 2.637 340 A HA 0.156 4.479 4.320 0.005 0.000 0.293 340 A C 1.658 179.388 177.584 0.242 0.000 1.216 340 A CA -0.519 51.609 52.037 0.151 0.000 0.956 340 A CB 0.007 19.008 19.000 0.002 0.000 1.174 340 A HN 0.856 nan 8.150 nan 0.000 0.525 341 R N -0.172 120.413 120.500 0.141 0.000 2.127 341 R HA -0.119 4.224 4.340 0.005 0.000 0.238 341 R C 0.416 176.540 176.300 -0.294 0.000 1.134 341 R CA 1.417 57.450 56.100 -0.111 0.000 0.975 341 R CB -0.096 30.028 30.300 -0.293 0.000 0.865 341 R HN 0.661 nan 8.270 nan 0.000 0.447 342 H N -0.242 118.951 119.070 0.206 0.000 2.472 342 H HA 0.052 4.611 4.556 0.005 0.000 0.287 342 H C -0.259 175.258 175.328 0.314 0.000 1.112 342 H CA -0.305 55.852 56.048 0.182 0.000 1.021 342 H CB -0.231 29.660 29.762 0.216 0.000 1.635 342 H HN 0.392 nan 8.280 nan 0.000 0.559 343 H N -0.116 119.188 119.070 0.389 0.000 2.836 343 H HA 0.078 4.636 4.556 0.005 0.000 0.368 343 H C 0.732 176.227 175.328 0.278 0.000 1.164 343 H CA 0.098 56.345 56.048 0.331 0.000 1.425 343 H CB 1.443 31.253 29.762 0.080 0.000 1.414 343 H HN 0.060 nan 8.280 nan 0.000 0.614 344 V N -0.252 119.891 119.914 0.382 0.000 3.043 344 V HA 0.297 4.420 4.120 0.005 0.000 0.357 344 V C 1.718 177.986 176.094 0.291 0.000 1.372 344 V CA 0.134 62.594 62.300 0.267 0.000 1.214 344 V CB -0.024 31.911 31.823 0.185 0.000 1.224 344 V HN 0.913 nan 8.190 nan 0.000 0.507 345 G N 0.636 109.699 108.800 0.437 0.000 2.462 345 G HA2 -0.171 3.791 3.960 0.005 0.000 0.220 345 G HA3 -0.171 3.791 3.960 0.005 0.000 0.220 345 G C 0.793 175.681 174.900 -0.020 0.000 1.121 345 G CA 0.937 46.079 45.100 0.070 0.000 0.758 345 G HN 0.576 nan 8.290 nan 0.000 0.559 346 F N 1.410 121.525 119.950 0.276 0.000 2.639 346 F HA 0.446 4.975 4.527 0.004 0.000 0.300 346 F C 1.598 177.486 175.800 0.147 0.000 1.109 346 F CA -0.310 57.796 58.000 0.176 0.000 1.335 346 F CB 0.066 39.154 39.000 0.147 0.000 1.014 346 F HN 0.365 nan 8.300 nan 0.000 0.537 347 G N 0.354 109.335 108.800 0.302 0.000 2.642 347 G HA2 -0.174 3.789 3.960 0.005 0.000 0.231 347 G HA3 -0.174 3.789 3.960 0.005 0.000 0.231 347 G C -1.121 173.951 174.900 0.286 0.000 1.338 347 G CA -0.134 45.118 45.100 0.254 0.000 0.883 347 G HN 0.638 nan 8.290 nan 0.000 0.570 348 H N -1.433 117.706 119.070 0.116 0.000 3.094 348 H HA 0.637 5.196 4.556 0.005 0.000 0.335 348 H C 0.712 176.078 175.328 0.064 0.000 1.254 348 H CA 1.742 57.837 56.048 0.078 0.000 1.240 348 H CB 1.041 30.831 29.762 0.047 0.000 1.936 348 H HN 2.602 nan 8.280 nan 0.000 0.536 349 G N 2.480 110.910 108.800 -0.617 0.000 2.527 349 G HA2 -0.352 3.611 3.960 0.005 0.000 0.268 349 G HA3 -0.352 3.611 3.960 0.005 0.000 0.268 349 G C 1.277 176.089 174.900 -0.146 0.000 1.175 349 G CA 0.318 45.208 45.100 -0.351 0.000 0.962 349 G HN 0.768 nan 8.290 nan 0.000 0.560 350 I N 0.502 121.016 120.570 -0.093 0.000 2.145 350 I HA -0.182 3.991 4.170 0.005 0.000 0.244 350 I C 1.897 177.862 176.117 -0.254 0.000 1.075 350 I CA 2.003 63.204 61.300 -0.164 0.000 1.332 350 I CB -0.323 37.558 38.000 -0.199 0.000 1.033 350 I HN 0.462 nan 8.210 nan 0.000 0.410 351 H N 1.042 120.080 119.070 -0.054 0.000 2.486 351 H HA 0.174 4.733 4.556 0.005 0.000 0.284 351 H C 0.285 175.634 175.328 0.035 0.000 1.103 351 H CA -0.287 55.752 56.048 -0.015 0.000 1.089 351 H CB 0.127 29.853 29.762 -0.059 0.000 1.603 351 H HN 0.522 nan 8.280 nan 0.000 0.557 352 Q N 0.046 119.898 119.800 0.086 0.000 2.474 352 Q HA 0.031 4.373 4.340 0.005 0.000 0.256 352 Q C 0.268 176.303 176.000 0.058 0.000 1.048 352 Q CA -0.214 55.644 55.803 0.092 0.000 0.922 352 Q CB 0.844 29.605 28.738 0.038 0.000 1.288 352 Q HN 0.169 nan 8.270 nan 0.000 0.484 353 C N 3.504 122.858 119.300 0.090 0.000 2.517 353 C HA -0.049 4.413 4.460 0.005 0.000 0.403 353 C C 1.650 176.533 174.990 -0.179 0.000 1.467 353 C CA -0.239 58.781 59.018 0.003 0.000 1.542 353 C CB -1.444 26.328 27.740 0.054 0.000 2.482 353 C HN 0.989 nan 8.230 nan 0.000 0.610 354 L N 5.035 126.115 121.223 -0.239 0.000 2.179 354 L HA 0.130 4.473 4.340 0.005 0.000 0.208 354 L C 2.203 178.630 176.870 -0.738 0.000 1.096 354 L CA 1.751 56.297 54.840 -0.489 0.000 0.779 354 L CB -0.439 41.277 42.059 -0.572 0.000 0.922 354 L HN 0.987 nan 8.230 nan 0.000 0.443 355 G N -0.789 107.729 108.800 -0.470 0.000 3.233 355 G HA2 -0.060 3.903 3.960 0.005 0.000 0.227 355 G HA3 -0.060 3.903 3.960 0.005 0.000 0.227 355 G C 1.252 176.029 174.900 -0.205 0.000 1.175 355 G CA 0.058 45.002 45.100 -0.259 0.000 0.781 355 G HN 0.582 nan 8.290 nan 0.000 0.542 356 Q N 0.310 119.838 119.800 -0.455 0.000 2.135 356 Q HA -0.185 4.158 4.340 0.005 0.000 0.204 356 Q C 1.754 177.474 176.000 -0.466 0.000 0.981 356 Q CA 1.634 56.908 55.803 -0.880 0.000 0.856 356 Q CB -0.567 27.331 28.738 -1.400 0.000 0.902 356 Q HN 0.525 nan 8.270 nan 0.000 0.425 357 N N 0.360 118.933 118.700 -0.211 0.000 2.331 357 N HA -0.070 4.673 4.740 0.005 0.000 0.180 357 N C 1.646 177.171 175.510 0.026 0.000 1.019 357 N CA 0.608 53.627 53.050 -0.052 0.000 0.881 357 N CB -0.010 38.472 38.487 -0.009 0.000 0.972 357 N HN 0.125 nan 8.380 nan 0.000 0.435 358 L N 1.270 122.532 121.223 0.064 0.000 2.056 358 L HA 0.011 4.354 4.340 0.005 0.000 0.207 358 L C 2.137 179.061 176.870 0.090 0.000 1.078 358 L CA 1.349 56.245 54.840 0.094 0.000 0.749 358 L CB -0.772 41.376 42.059 0.148 0.000 0.901 358 L HN 0.074 nan 8.230 nan 0.000 0.433 359 A N -0.419 122.455 122.820 0.089 0.000 1.873 359 A HA -0.193 4.130 4.320 0.005 0.000 0.215 359 A C 2.403 180.111 177.584 0.206 0.000 1.186 359 A CA 1.600 53.740 52.037 0.172 0.000 0.616 359 A CB -0.533 18.634 19.000 0.279 0.000 0.823 359 A HN 0.478 nan 8.150 nan 0.000 0.442 360 R N -0.473 120.150 120.500 0.205 0.000 2.096 360 R HA -0.177 4.166 4.340 0.005 0.000 0.240 360 R C 2.486 178.869 176.300 0.138 0.000 1.139 360 R CA 1.380 57.605 56.100 0.207 0.000 0.952 360 R CB -0.557 29.850 30.300 0.179 0.000 0.854 360 R HN 0.528 nan 8.270 nan 0.000 0.436 361 A N 1.368 124.250 122.820 0.104 0.000 1.883 361 A HA -0.223 4.100 4.320 0.005 0.000 0.217 361 A C 1.947 179.581 177.584 0.084 0.000 1.186 361 A CA 1.595 53.681 52.037 0.083 0.000 0.624 361 A CB -0.398 18.640 19.000 0.063 0.000 0.822 361 A HN 0.369 nan 8.150 nan 0.000 0.444 362 E N -0.345 119.908 120.200 0.088 0.000 2.077 362 E HA -0.130 4.223 4.350 0.005 0.000 0.193 362 E C 1.990 178.641 176.600 0.084 0.000 0.989 362 E CA 1.101 57.543 56.400 0.070 0.000 0.800 362 E CB -0.267 29.472 29.700 0.066 0.000 0.746 362 E HN 0.623 nan 8.360 nan 0.000 0.452 363 L N 0.885 122.177 121.223 0.115 0.000 2.027 363 L HA -0.182 4.160 4.340 0.005 0.000 0.206 363 L C 2.318 179.268 176.870 0.134 0.000 1.074 363 L CA 1.251 56.168 54.840 0.128 0.000 0.745 363 L CB -0.277 41.867 42.059 0.141 0.000 0.898 363 L HN 0.100 nan 8.230 nan 0.000 0.433 364 E N 0.201 120.474 120.200 0.122 0.000 2.077 364 E HA -0.229 4.123 4.350 0.005 0.000 0.193 364 E C 2.213 178.884 176.600 0.117 0.000 0.989 364 E CA 1.352 57.821 56.400 0.114 0.000 0.800 364 E CB -0.093 29.666 29.700 0.097 0.000 0.746 364 E HN 0.472 nan 8.360 nan 0.000 0.452 365 I N 0.726 121.359 120.570 0.106 0.000 2.333 365 I HA -0.179 3.994 4.170 0.005 0.000 0.246 365 I C 2.454 178.656 176.117 0.142 0.000 1.106 365 I CA 0.753 62.115 61.300 0.103 0.000 1.411 365 I CB -0.163 37.882 38.000 0.076 0.000 1.082 365 I HN 0.078 nan 8.210 nan 0.000 0.420 366 A N 0.991 123.901 122.820 0.150 0.000 1.854 366 A HA -0.093 4.230 4.320 0.005 0.000 0.214 366 A C 2.272 180.075 177.584 0.365 0.000 1.192 366 A CA 1.205 53.399 52.037 0.262 0.000 0.611 366 A CB -0.811 18.241 19.000 0.088 0.000 0.832 366 A HN 0.317 nan 8.150 nan 0.000 0.442 367 L N -0.663 120.733 121.223 0.289 0.000 2.027 367 L HA -0.103 4.240 4.340 0.005 0.000 0.206 367 L C 2.863 179.920 176.870 0.312 0.000 1.074 367 L CA 1.174 56.213 54.840 0.332 0.000 0.745 367 L CB -0.963 41.265 42.059 0.282 0.000 0.898 367 L HN 0.493 nan 8.230 nan 0.000 0.433 368 G N -0.261 108.670 108.800 0.217 0.000 2.418 368 G HA2 -0.187 3.775 3.960 0.005 0.000 0.217 368 G HA3 -0.187 3.775 3.960 0.005 0.000 0.217 368 G C 1.572 176.566 174.900 0.157 0.000 1.158 368 G CA 0.778 45.985 45.100 0.178 0.000 0.771 368 G HN 0.490 nan 8.290 nan 0.000 0.545 369 G N 0.682 109.566 108.800 0.140 0.000 2.394 369 G HA2 -0.070 3.893 3.960 0.005 0.000 0.215 369 G HA3 -0.070 3.893 3.960 0.005 0.000 0.215 369 G C 1.736 176.631 174.900 -0.009 0.000 1.165 369 G CA 0.936 46.089 45.100 0.088 0.000 0.784 369 G HN 0.405 nan 8.290 nan 0.000 0.535 370 L N -0.361 120.820 121.223 -0.069 0.000 2.012 370 L HA 0.089 4.432 4.340 0.005 0.000 0.210 370 L C 2.431 179.038 176.870 -0.439 0.000 1.073 370 L CA 1.788 56.367 54.840 -0.435 0.000 0.748 370 L CB -0.528 41.133 42.059 -0.663 0.000 0.891 370 L HN 0.190 nan 8.230 nan 0.000 0.431 371 F N -0.573 119.349 119.950 -0.046 0.000 2.456 371 F HA 0.097 4.627 4.527 0.005 0.000 0.298 371 F C 2.377 178.199 175.800 0.037 0.000 1.104 371 F CA 0.738 58.733 58.000 -0.008 0.000 1.435 371 F CB -0.860 38.152 39.000 0.020 0.000 1.078 371 F HN 0.178 nan 8.300 nan 0.000 0.546 372 A N 0.049 122.961 122.820 0.154 0.000 1.930 372 A HA -0.166 4.157 4.320 0.005 0.000 0.217 372 A C 2.196 179.877 177.584 0.161 0.000 1.175 372 A CA 1.696 53.818 52.037 0.142 0.000 0.627 372 A CB -0.452 18.599 19.000 0.085 0.000 0.815 372 A HN 0.270 nan 8.150 nan 0.000 0.443 373 R N -0.326 120.198 120.500 0.039 0.000 2.090 373 R HA 0.208 4.551 4.340 0.005 0.000 0.219 373 R C 0.145 176.404 176.300 -0.068 0.000 1.100 373 R CA 1.067 57.168 56.100 0.001 0.000 0.991 373 R CB -0.122 30.096 30.300 -0.135 0.000 0.893 373 R HN 0.429 nan 8.270 nan 0.000 0.443 374 I N 2.129 122.594 120.570 -0.174 0.000 2.859 374 I HA 0.287 4.460 4.170 0.005 0.000 0.296 374 I C -1.876 174.213 176.117 -0.047 0.000 1.300 374 I CA -1.645 59.526 61.300 -0.215 0.000 1.020 374 I CB 1.883 39.585 38.000 -0.496 0.000 1.823 374 I HN 0.025 nan 8.210 nan 0.000 0.599 375 P HA -0.081 nan 4.420 nan 0.000 0.223 375 P C 1.299 178.739 177.300 0.234 0.000 1.151 375 P CA 1.074 64.324 63.100 0.249 0.000 0.787 375 P CB 0.321 32.173 31.700 0.253 0.000 0.788 376 G N -0.226 108.683 108.800 0.181 0.000 3.233 376 G HA2 0.111 4.074 3.960 0.005 0.000 0.227 376 G HA3 0.111 4.074 3.960 0.005 0.000 0.227 376 G C 0.317 175.335 174.900 0.196 0.000 1.175 376 G CA -0.255 44.951 45.100 0.177 0.000 0.781 376 G HN 0.189 nan 8.290 nan 0.000 0.542 377 L N 2.043 123.364 121.223 0.162 0.000 2.615 377 L HA 0.215 4.557 4.340 0.005 0.000 0.284 377 L C 0.773 177.757 176.870 0.189 0.000 1.237 377 L CA 0.388 55.308 54.840 0.133 0.000 0.905 377 L CB 0.129 42.128 42.059 -0.100 0.000 1.149 377 L HN 0.518 nan 8.230 nan 0.000 0.499 378 R N 3.384 123.989 120.500 0.174 0.000 2.781 378 R HA 0.620 4.962 4.340 0.005 0.000 0.269 378 R C -1.461 174.911 176.300 0.120 0.000 1.025 378 R CA -1.260 54.929 56.100 0.147 0.000 0.914 378 R CB 0.541 30.920 30.300 0.131 0.000 1.236 378 R HN 0.332 nan 8.270 nan 0.000 0.465 379 L N 1.165 122.448 121.223 0.100 0.000 2.439 379 L HA 0.281 4.624 4.340 0.005 0.000 0.269 379 L C 1.026 177.929 176.870 0.056 0.000 1.179 379 L CA 0.608 55.493 54.840 0.076 0.000 0.828 379 L CB 1.166 43.265 42.059 0.067 0.000 1.106 379 L HN 1.031 nan 8.230 nan 0.000 0.467 380 A N 3.056 125.898 122.820 0.037 0.000 2.308 380 A HA 0.435 4.758 4.320 0.005 0.000 0.217 380 A C 0.226 177.818 177.584 0.014 0.000 1.216 380 A CA 0.073 52.120 52.037 0.016 0.000 0.864 380 A CB 0.279 19.273 19.000 -0.010 0.000 0.902 380 A HN 0.399 nan 8.150 nan 0.000 0.499 381 V N 0.585 120.511 119.914 0.019 0.000 3.049 381 V HA 0.394 4.517 4.120 0.005 0.000 0.309 381 V C -2.672 173.430 176.094 0.014 0.000 1.148 381 V CA -1.930 60.377 62.300 0.012 0.000 0.990 381 V CB 2.548 34.376 31.823 0.008 0.000 1.039 381 V HN 0.166 nan 8.190 nan 0.000 0.430 382 P HA 0.150 nan 4.420 nan 0.000 0.269 382 P C 1.011 178.313 177.300 0.004 0.000 1.215 382 P CA -0.028 63.076 63.100 0.006 0.000 0.780 382 P CB 0.610 32.309 31.700 -0.001 0.000 0.898 383 L N 1.656 122.882 121.223 0.004 0.000 2.081 383 L HA -0.223 4.120 4.340 0.005 0.000 0.212 383 L C 1.197 178.050 176.870 -0.029 0.000 1.080 383 L CA 2.364 57.202 54.840 -0.004 0.000 0.754 383 L CB -0.505 41.550 42.059 -0.007 0.000 0.893 383 L HN 0.486 nan 8.230 nan 0.000 0.433 384 D N -2.033 118.348 120.400 -0.031 0.000 2.349 384 D HA -0.136 4.507 4.640 0.005 0.000 0.224 384 D C 1.341 177.620 176.300 -0.036 0.000 1.029 384 D CA 0.380 54.355 54.000 -0.043 0.000 0.879 384 D CB -0.033 40.742 40.800 -0.041 0.000 0.906 384 D HN 0.402 nan 8.370 nan 0.000 0.528 385 E N -0.176 120.010 120.200 -0.025 0.000 2.476 385 E HA 0.111 4.464 4.350 0.005 0.000 0.199 385 E C -0.099 176.490 176.600 -0.018 0.000 1.021 385 E CA -0.146 56.242 56.400 -0.020 0.000 0.907 385 E CB 1.118 30.810 29.700 -0.012 0.000 0.974 385 E HN 0.102 nan 8.360 nan 0.000 0.489 386 V N 4.860 124.762 119.914 -0.019 0.000 2.450 386 V HA 0.053 4.176 4.120 0.005 0.000 0.281 386 V C -2.024 174.054 176.094 -0.027 0.000 1.019 386 V CA -1.072 61.219 62.300 -0.014 0.000 1.062 386 V CB -0.036 31.782 31.823 -0.008 0.000 0.979 386 V HN 0.065 nan 8.190 nan 0.000 0.477 387 P HA 0.431 nan 4.420 nan 0.000 0.281 387 P C -0.541 176.738 177.300 -0.036 0.000 1.252 387 P CA -0.111 62.970 63.100 -0.031 0.000 0.778 387 P CB 0.925 32.611 31.700 -0.023 0.000 0.895 388 I N -1.487 119.053 120.570 -0.051 0.000 2.892 388 I HA 0.578 4.751 4.170 0.005 0.000 0.306 388 I C -0.319 175.755 176.117 -0.072 0.000 1.078 388 I CA -1.676 59.588 61.300 -0.059 0.000 1.032 388 I CB 2.352 40.308 38.000 -0.075 0.000 1.229 388 I HN 0.040 nan 8.210 nan 0.000 0.435 389 K N 2.464 122.816 120.400 -0.080 0.000 2.276 389 K HA 0.502 4.824 4.320 0.005 0.000 0.259 389 K C 0.266 176.783 176.600 -0.138 0.000 1.001 389 K CA -0.219 56.003 56.287 -0.109 0.000 0.927 389 K CB 0.927 33.356 32.500 -0.119 0.000 0.969 389 K HN 0.755 nan 8.250 nan 0.000 0.490 390 A N 0.912 123.626 122.820 -0.177 0.000 2.292 390 A HA 0.264 4.587 4.320 0.005 0.000 0.265 390 A C 1.372 178.810 177.584 -0.243 0.000 1.133 390 A CA 0.268 52.202 52.037 -0.173 0.000 0.807 390 A CB -0.130 18.834 19.000 -0.061 0.000 1.102 390 A HN 0.874 nan 8.150 nan 0.000 0.502 391 G N -1.208 107.507 108.800 -0.141 0.000 2.534 391 G HA2 -0.108 3.854 3.960 0.005 0.000 0.217 391 G HA3 -0.108 3.854 3.960 0.005 0.000 0.217 391 G C 1.078 175.974 174.900 -0.007 0.000 1.128 391 G CA 1.132 46.168 45.100 -0.106 0.000 0.784 391 G HN 0.970 nan 8.290 nan 0.000 0.542 392 H N -1.154 117.928 119.070 0.020 0.000 2.551 392 H HA 0.142 4.700 4.556 0.004 0.000 0.266 392 H C -0.216 175.170 175.328 0.097 0.000 0.964 392 H CA 0.126 56.239 56.048 0.108 0.000 1.180 392 H CB 0.255 30.032 29.762 0.024 0.000 1.408 392 H HN 0.127 nan 8.280 nan 0.000 0.563 393 D N 1.211 121.313 120.400 -0.496 0.000 2.387 393 D HA 0.397 5.040 4.640 0.005 0.000 0.251 393 D C 0.006 176.231 176.300 -0.124 0.000 1.141 393 D CA -0.246 53.549 54.000 -0.341 0.000 0.987 393 D CB 1.766 42.295 40.800 -0.452 0.000 1.116 393 D HN 0.379 nan 8.370 nan 0.000 0.491 394 A N 1.692 124.469 122.820 -0.071 0.000 2.531 394 A HA 0.055 4.378 4.320 0.005 0.000 0.236 394 A C 0.259 177.812 177.584 -0.051 0.000 1.062 394 A CA -0.053 51.963 52.037 -0.035 0.000 0.760 394 A CB 0.198 19.200 19.000 0.002 0.000 0.995 394 A HN 0.369 nan 8.150 nan 0.000 0.501 395 Q N 0.386 120.168 119.800 -0.030 0.000 2.286 395 Q HA 0.583 4.926 4.340 0.005 0.000 0.257 395 Q C 0.378 176.361 176.000 -0.027 0.000 0.941 395 Q CA 0.829 56.609 55.803 -0.037 0.000 0.912 395 Q CB 1.398 30.122 28.738 -0.023 0.000 1.192 395 Q HN 1.245 nan 8.270 nan 0.000 0.410 396 G N 2.595 111.373 108.800 -0.035 0.000 2.320 396 G HA2 0.239 4.202 3.960 0.005 0.000 0.297 396 G HA3 0.239 4.202 3.960 0.005 0.000 0.297 396 G C -3.139 171.748 174.900 -0.021 0.000 1.344 396 G CA -0.864 44.226 45.100 -0.016 0.000 0.851 396 G HN 0.372 nan 8.290 nan 0.000 0.567 397 P HA 0.419 nan 4.420 nan 0.000 0.279 397 P C 0.681 177.978 177.300 -0.005 0.000 1.239 397 P CA -0.416 62.683 63.100 -0.003 0.000 0.789 397 P CB 1.613 33.326 31.700 0.021 0.000 0.933 398 I N 0.499 121.062 120.570 -0.012 0.000 2.480 398 I HA -0.015 4.158 4.170 0.005 0.000 0.251 398 I C 1.087 177.207 176.117 0.004 0.000 1.124 398 I CA 1.393 62.686 61.300 -0.011 0.000 1.444 398 I CB 0.053 38.041 38.000 -0.019 0.000 1.098 398 I HN 0.407 nan 8.210 nan 0.000 0.428 399 E N 0.106 120.312 120.200 0.009 0.000 2.408 399 E HA 0.541 4.894 4.350 0.005 0.000 0.275 399 E C -1.155 175.463 176.600 0.029 0.000 0.935 399 E CA -0.626 55.786 56.400 0.021 0.000 0.775 399 E CB 3.058 32.767 29.700 0.015 0.000 1.277 399 E HN -0.073 nan 8.360 nan 0.000 0.455 400 L N 3.056 124.305 121.223 0.043 0.000 2.514 400 L HA 0.369 4.711 4.340 0.005 0.000 0.257 400 L C -2.672 174.232 176.870 0.057 0.000 1.101 400 L CA -1.902 52.970 54.840 0.053 0.000 0.911 400 L CB 1.648 43.749 42.059 0.071 0.000 1.162 400 L HN 0.255 nan 8.230 nan 0.000 0.477 401 P HA 0.084 nan 4.420 nan 0.000 0.269 401 P C -0.522 176.808 177.300 0.051 0.000 1.252 401 P CA 0.128 63.251 63.100 0.039 0.000 0.780 401 P CB 0.860 32.572 31.700 0.020 0.000 0.829 402 V N 2.677 122.635 119.914 0.073 0.000 2.919 402 V HA 0.879 5.002 4.120 0.005 0.000 0.316 402 V C -0.161 175.974 176.094 0.069 0.000 1.077 402 V CA -1.039 61.325 62.300 0.106 0.000 0.977 402 V CB 2.221 34.136 31.823 0.154 0.000 1.039 402 V HN 0.302 nan 8.190 nan 0.000 0.441 403 V N -0.700 119.244 119.914 0.049 0.000 3.181 403 V HA 0.935 5.058 4.120 0.005 0.000 0.308 403 V C -1.077 175.018 176.094 0.001 0.000 1.214 403 V CA -0.637 61.517 62.300 -0.243 0.000 1.053 403 V CB 1.317 32.950 31.823 -0.316 0.000 1.069 403 V HN 1.710 nan 8.190 nan 0.000 0.441 404 W N -0.873 120.246 121.300 -0.301 0.000 3.146 404 W HA 0.798 5.460 4.660 0.003 0.000 0.319 404 W C -0.823 175.394 176.519 -0.503 0.000 1.258 404 W CA -0.643 56.566 57.345 -0.227 0.000 1.189 404 W CB 0.997 30.379 29.460 -0.130 0.000 1.412 404 W HN 0.617 nan 8.180 nan 0.000 0.567 405 H N 0.291 119.482 119.070 0.202 0.000 3.052 405 H HA 0.143 4.702 4.556 0.005 0.000 0.257 405 H C -0.610 174.859 175.328 0.236 0.000 1.193 405 H CA 0.115 56.236 56.048 0.121 0.000 1.072 405 H CB 0.455 30.240 29.762 0.038 0.000 1.685 405 H HN 0.552 nan 8.280 nan 0.000 0.630 406 H N 0.544 119.771 119.070 0.263 0.000 3.012 406 H HA 0.359 4.918 4.556 0.005 0.000 0.367 406 H C -1.355 174.027 175.328 0.090 0.000 1.211 406 H CA -0.424 55.683 56.048 0.098 0.000 1.139 406 H CB 2.410 32.170 29.762 -0.003 0.000 1.838 406 H HN 0.411 nan 8.280 nan 0.000 0.550 407 H N 0.530 118.988 119.070 -1.020 0.000 3.064 407 H HA 0.397 4.956 4.556 0.005 0.000 0.352 407 H C -0.999 173.840 175.328 -0.814 0.000 1.260 407 H CA -0.830 54.734 56.048 -0.807 0.000 1.160 407 H CB 0.955 30.456 29.762 -0.435 0.000 1.879 407 H HN 0.458 nan 8.280 nan 0.000 0.544 408 H N 0.000 118.945 119.070 -0.208 0.000 2.539 408 H HA 0.000 4.559 4.556 0.005 0.000 0.296 408 H CA 0.000 56.001 56.048 -0.079 0.000 1.023 408 H CB 0.000 29.777 29.762 0.025 0.000 1.292 408 H HN 0.000 nan 8.280 nan 0.000 0.496