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 2gd6_1_D DATA FIRST_RESID 2 DATA SEQUENCE AGPLSGLRVV ELAGIGPGPH AAMILGDLGA DVVRIDRPXX XXXISRDAML DATA SEQUENCE RNRRIVTADL KSDQGLELAL KLIAKADVLI EGYRPGVTER LGLGPEECAK DATA SEQUENCE VNDRLIYARM TGWGQTGPRS QQAGHDINYI SLNGILHAIG RGDERPVPPL DATA SEQUENCE NLVGDFGGGS MFLLVGILAA LWERQSSGKG QVVDAAMVDG SSVLIQMMWA DATA SEQUENCE MRATGMWTDT RGANMLDGGA PYYDTYECAD GRYVAVGAIE PQFYAAMLAG DATA SEQUENCE LGLDAAELPP QNDRARWPEL RALLTEAFAS HDRDHWGAVF ANSDACVTPV DATA SEQUENCE LAFGEVHNEP HIIERNTFYE ANGGWQPMPA PRFSRTASSQ PRPPAATIDI DATA SEQUENCE EAVLTDWDG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.545 177.584 -0.064 0.000 1.274 2 A CA 0.000 52.011 52.037 -0.044 0.000 0.836 2 A CB 0.000 18.980 19.000 -0.034 0.000 0.831 3 G N 0.333 109.079 108.800 -0.089 0.000 2.516 3 G HA2 0.447 4.407 3.960 0.000 0.000 0.276 3 G HA3 0.447 4.407 3.960 0.000 0.000 0.276 3 G C -0.873 173.872 174.900 -0.259 0.000 1.390 3 G CA -0.102 44.898 45.100 -0.168 0.000 1.050 3 G HN 0.110 nan 8.290 nan 0.000 0.519 4 P HA -0.011 nan 4.420 nan 0.000 0.226 4 P C 1.263 178.407 177.300 -0.259 0.000 1.153 4 P CA 0.867 63.703 63.100 -0.440 0.000 0.777 4 P CB 0.219 31.445 31.700 -0.791 0.000 0.794 5 L N -0.923 120.168 121.223 -0.220 0.000 2.628 5 L HA 0.179 4.519 4.340 0.000 0.000 0.229 5 L C 1.063 177.878 176.870 -0.091 0.000 1.137 5 L CA -0.213 54.548 54.840 -0.131 0.000 0.909 5 L CB -0.287 41.708 42.059 -0.107 0.000 1.137 5 L HN -0.125 nan 8.230 nan 0.000 0.470 6 S N 0.561 116.205 115.700 -0.093 0.000 2.737 6 S HA 0.217 4.687 4.470 0.000 0.000 0.315 6 S C 1.201 175.768 174.600 -0.055 0.000 1.236 6 S CA 1.162 59.325 58.200 -0.062 0.000 1.093 6 S CB 0.126 63.289 63.200 -0.062 0.000 0.832 6 S HN 0.718 nan 8.310 nan 0.000 0.507 7 G N 3.378 112.152 108.800 -0.043 0.000 2.278 7 G HA2 -0.198 3.762 3.960 0.000 0.000 0.210 7 G HA3 -0.198 3.762 3.960 0.000 0.000 0.210 7 G C -0.117 174.732 174.900 -0.085 0.000 1.000 7 G CA -0.098 44.968 45.100 -0.056 0.000 0.635 7 G HN 0.798 nan 8.290 nan 0.000 0.495 8 L N 2.812 123.991 121.223 -0.073 0.000 2.360 8 L HA 0.621 4.961 4.340 0.000 0.000 0.276 8 L C 0.715 177.528 176.870 -0.095 0.000 1.121 8 L CA -0.293 54.495 54.840 -0.087 0.000 0.845 8 L CB 0.338 42.361 42.059 -0.060 0.000 1.143 8 L HN 0.251 nan 8.230 nan 0.000 0.452 9 R N 4.561 124.945 120.500 -0.194 0.000 2.229 9 R HA 0.582 4.922 4.340 0.000 0.000 0.328 9 R C -1.294 174.936 176.300 -0.117 0.000 1.009 9 R CA -0.697 55.232 56.100 -0.285 0.000 0.864 9 R CB 1.349 31.128 30.300 -0.868 0.000 1.085 9 R HN 0.443 nan 8.270 nan 0.000 0.453 10 V N 4.036 124.002 119.914 0.087 0.000 2.531 10 V HA 0.281 4.401 4.120 0.000 0.000 0.301 10 V C -0.193 176.021 176.094 0.199 0.000 1.034 10 V CA -0.904 61.454 62.300 0.097 0.000 0.865 10 V CB 2.163 34.019 31.823 0.056 0.000 0.995 10 V HN 0.437 nan 8.190 nan 0.000 0.424 11 V N 4.220 124.215 119.914 0.135 0.000 2.370 11 V HA 0.415 4.535 4.120 0.000 0.000 0.279 11 V C 0.103 176.214 176.094 0.028 0.000 1.029 11 V CA -0.383 61.986 62.300 0.115 0.000 0.870 11 V CB 1.528 33.419 31.823 0.114 0.000 0.984 11 V HN 0.957 nan 8.190 nan 0.000 0.451 12 E N 5.446 125.661 120.200 0.025 0.000 2.145 12 E HA 0.428 4.778 4.350 0.000 0.000 0.270 12 E C -1.177 175.423 176.600 0.001 0.000 0.906 12 E CA -0.698 55.698 56.400 -0.005 0.000 0.761 12 E CB 1.315 31.017 29.700 0.003 0.000 1.116 12 E HN 0.635 nan 8.360 nan 0.000 0.408 13 L N 3.836 125.048 121.223 -0.018 0.000 2.325 13 L HA 0.310 4.650 4.340 0.000 0.000 0.284 13 L C 0.544 177.422 176.870 0.013 0.000 1.089 13 L CA -0.629 54.237 54.840 0.043 0.000 0.836 13 L CB 0.884 43.013 42.059 0.118 0.000 1.184 13 L HN 0.645 nan 8.230 nan 0.000 0.444 14 A N 3.592 126.460 122.820 0.079 0.000 2.572 14 A HA 0.373 4.693 4.320 0.000 0.000 0.256 14 A C 0.744 178.365 177.584 0.061 0.000 1.041 14 A CA 0.889 52.967 52.037 0.067 0.000 0.790 14 A CB -0.343 18.711 19.000 0.090 0.000 0.947 14 A HN 0.895 nan 8.150 nan 0.000 0.518 15 G N 1.028 109.813 108.800 -0.025 0.000 3.166 15 G HA2 0.650 4.610 3.960 0.000 0.000 0.267 15 G HA3 0.650 4.610 3.960 0.000 0.000 0.267 15 G C -0.832 174.075 174.900 0.012 0.000 1.256 15 G CA -0.625 44.444 45.100 -0.052 0.000 0.859 15 G HN 0.560 nan 8.290 nan 0.000 0.590 16 I N 0.173 120.747 120.570 0.007 0.000 2.828 16 I HA 0.636 4.807 4.170 0.000 0.000 0.302 16 I C 1.069 177.210 176.117 0.039 0.000 1.101 16 I CA 0.542 61.871 61.300 0.049 0.000 1.031 16 I CB 0.793 38.836 38.000 0.071 0.000 1.231 16 I HN 1.282 nan 8.210 nan 0.000 0.427 17 G N 6.701 115.554 108.800 0.088 0.000 2.557 17 G HA2 -0.219 3.741 3.960 0.000 0.000 0.292 17 G HA3 -0.219 3.741 3.960 0.000 0.000 0.292 17 G C -1.805 173.173 174.900 0.130 0.000 1.162 17 G CA 0.334 45.475 45.100 0.068 0.000 0.964 17 G HN 0.410 nan 8.290 nan 0.000 0.541 18 P HA -0.063 nan 4.420 nan 0.000 0.215 18 P C 2.109 179.489 177.300 0.133 0.000 1.157 18 P CA 3.010 66.150 63.100 0.067 0.000 0.874 18 P CB -0.856 30.809 31.700 -0.059 0.000 0.790 19 G N 1.000 109.824 108.800 0.041 0.000 2.514 19 G HA2 -0.214 3.746 3.960 0.000 0.000 0.217 19 G HA3 -0.214 3.746 3.960 0.000 0.000 0.217 19 G C -0.747 174.188 174.900 0.058 0.000 1.198 19 G CA 1.395 46.504 45.100 0.015 0.000 0.780 19 G HN 0.280 nan 8.290 nan 0.000 0.565 20 P HA -0.077 nan 4.420 nan 0.000 0.218 20 P C 1.241 178.620 177.300 0.133 0.000 1.148 20 P CA 1.438 64.594 63.100 0.094 0.000 0.822 20 P CB -0.087 31.679 31.700 0.110 0.000 0.784 21 H N -0.183 118.956 119.070 0.115 0.000 2.343 21 H HA 0.097 4.653 4.556 0.000 0.000 0.303 21 H C 1.929 177.305 175.328 0.081 0.000 1.068 21 H CA 1.655 57.770 56.048 0.112 0.000 1.359 21 H CB -0.610 29.303 29.762 0.251 0.000 1.402 21 H HN -0.069 nan 8.280 nan 0.000 0.515 22 A N 0.974 123.882 122.820 0.146 0.000 1.892 22 A HA -0.189 4.131 4.320 0.000 0.000 0.218 22 A C 2.575 180.156 177.584 -0.005 0.000 1.188 22 A CA 2.096 54.165 52.037 0.054 0.000 0.631 22 A CB -1.474 17.573 19.000 0.079 0.000 0.822 22 A HN 0.608 nan 8.150 nan 0.000 0.447 23 A N -0.868 121.957 122.820 0.009 0.000 1.933 23 A HA -0.117 4.203 4.320 0.000 0.000 0.218 23 A C 2.268 179.839 177.584 -0.020 0.000 1.175 23 A CA 1.880 53.917 52.037 -0.001 0.000 0.628 23 A CB -0.555 18.451 19.000 0.010 0.000 0.814 23 A HN 0.656 nan 8.150 nan 0.000 0.444 24 M N -0.360 119.215 119.600 -0.042 0.000 2.065 24 M HA -0.175 4.305 4.480 0.000 0.000 0.259 24 M C 1.937 178.183 176.300 -0.092 0.000 1.069 24 M CA 2.121 57.379 55.300 -0.069 0.000 1.110 24 M CB -0.354 32.183 32.600 -0.105 0.000 1.328 24 M HN 0.410 nan 8.290 nan 0.000 0.405 25 I N 0.477 120.962 120.570 -0.142 0.000 2.361 25 I HA -0.321 3.849 4.170 0.000 0.000 0.251 25 I C 2.196 178.284 176.117 -0.048 0.000 1.133 25 I CA 1.027 62.263 61.300 -0.107 0.000 1.413 25 I CB -0.373 37.553 38.000 -0.124 0.000 1.073 25 I HN 0.376 nan 8.210 nan 0.000 0.424 26 L N 0.166 121.367 121.223 -0.037 0.000 2.056 26 L HA -0.116 4.224 4.340 0.000 0.000 0.207 26 L C 2.708 179.565 176.870 -0.022 0.000 1.078 26 L CA 1.557 56.383 54.840 -0.023 0.000 0.749 26 L CB -1.237 40.814 42.059 -0.012 0.000 0.901 26 L HN 0.312 nan 8.230 nan 0.000 0.433 27 G N -0.272 108.517 108.800 -0.018 0.000 2.421 27 G HA2 -0.263 3.697 3.960 0.000 0.000 0.216 27 G HA3 -0.263 3.697 3.960 0.000 0.000 0.216 27 G C 1.118 176.003 174.900 -0.024 0.000 1.171 27 G CA 0.878 45.970 45.100 -0.014 0.000 0.775 27 G HN 0.285 nan 8.290 nan 0.000 0.543 28 D N 0.671 121.054 120.400 -0.029 0.000 2.149 28 D HA -0.107 4.533 4.640 0.000 0.000 0.194 28 D C 2.264 178.552 176.300 -0.020 0.000 1.001 28 D CA 0.752 54.736 54.000 -0.027 0.000 0.849 28 D CB -0.262 40.525 40.800 -0.022 0.000 0.939 28 D HN 0.324 nan 8.370 nan 0.000 0.449 29 L N -1.115 120.094 121.223 -0.023 0.000 2.629 29 L HA 0.277 4.617 4.340 0.000 0.000 0.230 29 L C 1.427 178.238 176.870 -0.098 0.000 1.151 29 L CA 0.357 55.164 54.840 -0.055 0.000 0.924 29 L CB 0.038 42.059 42.059 -0.063 0.000 1.137 29 L HN 0.160 nan 8.230 nan 0.000 0.457 30 G N -0.153 108.610 108.800 -0.062 0.000 2.192 30 G HA2 -0.195 3.765 3.960 0.000 0.000 0.193 30 G HA3 -0.195 3.765 3.960 0.000 0.000 0.193 30 G C 0.414 175.293 174.900 -0.035 0.000 0.999 30 G CA -0.148 44.918 45.100 -0.056 0.000 0.659 30 G HN 0.449 nan 8.290 nan 0.000 0.503 31 A N 0.227 123.030 122.820 -0.028 0.000 2.386 31 A HA 0.507 4.827 4.320 0.000 0.000 0.248 31 A C 0.236 177.840 177.584 0.034 0.000 1.082 31 A CA 0.533 52.566 52.037 -0.006 0.000 0.789 31 A CB 0.378 19.373 19.000 -0.009 0.000 1.025 31 A HN 0.289 nan 8.150 nan 0.000 0.490 32 D N 1.887 122.333 120.400 0.077 0.000 2.453 32 D HA 0.354 4.994 4.640 0.000 0.000 0.223 32 D C -0.646 175.794 176.300 0.232 0.000 1.183 32 D CA 0.154 54.260 54.000 0.176 0.000 0.933 32 D CB 0.111 41.084 40.800 0.288 0.000 1.038 32 D HN 0.127 nan 8.370 nan 0.000 0.513 33 V N 3.787 123.785 119.914 0.141 0.000 2.394 33 V HA 0.351 4.471 4.120 0.000 0.000 0.282 33 V C 0.381 176.526 176.094 0.085 0.000 1.031 33 V CA -0.866 61.506 62.300 0.121 0.000 0.881 33 V CB 1.731 33.588 31.823 0.057 0.000 0.982 33 V HN 0.191 nan 8.190 nan 0.000 0.451 34 V N 5.620 125.590 119.914 0.094 0.000 2.409 34 V HA 0.511 4.631 4.120 0.000 0.000 0.291 34 V C 0.087 176.182 176.094 0.002 0.000 1.020 34 V CA -0.697 61.589 62.300 -0.023 0.000 0.848 34 V CB 1.643 33.345 31.823 -0.202 0.000 0.990 34 V HN 0.909 nan 8.190 nan 0.000 0.430 35 R N 5.040 125.532 120.500 -0.014 0.000 2.295 35 R HA 0.646 4.986 4.340 0.000 0.000 0.324 35 R C -1.158 175.141 176.300 -0.002 0.000 0.968 35 R CA -0.570 55.531 56.100 0.003 0.000 0.837 35 R CB 1.018 31.322 30.300 0.007 0.000 1.133 35 R HN 0.705 nan 8.270 nan 0.000 0.450 36 I N 4.137 124.716 120.570 0.015 0.000 2.304 36 I HA 0.193 4.363 4.170 0.000 0.000 0.291 36 I C 0.055 176.197 176.117 0.042 0.000 1.018 36 I CA -0.256 61.056 61.300 0.021 0.000 1.260 36 I CB 1.309 39.326 38.000 0.028 0.000 1.390 36 I HN 0.557 nan 8.210 nan 0.000 0.475 37 D N 5.896 126.315 120.400 0.032 0.000 2.326 37 D HA 0.340 4.980 4.640 0.000 0.000 0.248 37 D C -0.293 176.028 176.300 0.036 0.000 1.001 37 D CA -0.676 53.350 54.000 0.043 0.000 0.961 37 D CB 1.685 42.504 40.800 0.032 0.000 1.183 37 D HN 0.434 nan 8.370 nan 0.000 0.502 38 R N 0.922 121.446 120.500 0.040 0.000 2.643 38 R HA 0.327 4.667 4.340 0.000 0.000 0.270 38 R C -2.107 174.202 176.300 0.016 0.000 1.061 38 R CA -1.012 55.103 56.100 0.025 0.000 1.107 38 R CB -0.770 29.545 30.300 0.024 0.000 0.999 38 R HN 0.128 nan 8.270 nan 0.000 0.460 46 S N 6.078 121.780 115.700 0.004 0.000 2.610 46 S HA 0.503 4.973 4.470 0.000 0.000 0.273 46 S C 0.815 175.418 174.600 0.005 0.000 1.274 46 S CA -0.375 57.829 58.200 0.007 0.000 1.023 46 S CB 1.439 64.646 63.200 0.012 0.000 0.962 46 S HN 0.806 nan 8.310 nan 0.000 0.523 47 R N 0.973 121.476 120.500 0.005 0.000 2.312 47 R HA 0.124 4.464 4.340 0.000 0.000 0.205 47 R C -0.379 175.923 176.300 0.003 0.000 0.904 47 R CA -0.056 56.044 56.100 0.000 0.000 1.052 47 R CB 0.074 30.372 30.300 -0.004 0.000 1.014 47 R HN 0.609 nan 8.270 nan 0.000 0.503 48 D N 0.802 121.209 120.400 0.011 0.000 2.374 48 D HA 0.091 4.731 4.640 0.000 0.000 0.240 48 D C 0.774 177.087 176.300 0.022 0.000 1.229 48 D CA -0.085 53.926 54.000 0.018 0.000 0.895 48 D CB 1.357 42.174 40.800 0.028 0.000 1.046 48 D HN 0.110 nan 8.370 nan 0.000 0.498 49 A N 4.564 127.394 122.820 0.017 0.000 2.125 49 A HA -0.172 4.148 4.320 0.000 0.000 0.219 49 A C 2.063 179.673 177.584 0.044 0.000 1.156 49 A CA 0.866 52.921 52.037 0.030 0.000 0.671 49 A CB -0.515 18.495 19.000 0.016 0.000 0.794 49 A HN 0.741 nan 8.150 nan 0.000 0.459 50 M N -0.514 119.111 119.600 0.042 0.000 2.279 50 M HA -0.003 4.477 4.480 0.000 0.000 0.264 50 M C 0.522 176.849 176.300 0.044 0.000 1.062 50 M CA 1.366 56.697 55.300 0.052 0.000 1.099 50 M CB -0.190 32.457 32.600 0.078 0.000 1.394 50 M HN 0.340 nan 8.290 nan 0.000 0.426 51 L N 2.066 123.312 121.223 0.039 0.000 2.779 51 L HA 0.152 4.492 4.340 0.000 0.000 0.239 51 L C 0.739 177.624 176.870 0.026 0.000 1.245 51 L CA -0.451 54.408 54.840 0.031 0.000 1.064 51 L CB -1.153 40.923 42.059 0.028 0.000 1.350 51 L HN 0.347 nan 8.230 nan 0.000 0.455 52 R N -0.528 119.991 120.500 0.033 0.000 2.679 52 R HA 0.089 4.429 4.340 0.000 0.000 0.269 52 R C -0.049 176.258 176.300 0.013 0.000 1.076 52 R CA -0.493 55.626 56.100 0.032 0.000 1.160 52 R CB 0.203 30.539 30.300 0.061 0.000 1.054 52 R HN 0.144 nan 8.270 nan 0.000 0.507 53 N N 0.630 119.332 118.700 0.003 0.000 2.756 53 N HA -0.140 4.600 4.740 0.000 0.000 0.248 53 N C -1.155 174.355 175.510 0.001 0.000 1.062 53 N CA 1.033 54.080 53.050 -0.005 0.000 0.696 53 N CB -0.432 38.047 38.487 -0.013 0.000 0.946 53 N HN 0.615 nan 8.380 nan 0.000 0.548 54 R N 0.183 120.683 120.500 0.000 0.000 2.905 54 R HA 0.549 4.889 4.340 0.000 0.000 0.260 54 R C 0.321 176.612 176.300 -0.015 0.000 1.086 54 R CA -0.658 55.442 56.100 -0.001 0.000 0.978 54 R CB 1.337 31.637 30.300 0.001 0.000 1.215 54 R HN 0.071 nan 8.270 nan 0.000 0.480 55 R N 0.727 121.209 120.500 -0.030 0.000 2.494 55 R HA 0.509 4.849 4.340 0.000 0.000 0.305 55 R C -0.393 175.875 176.300 -0.053 0.000 0.959 55 R CA -0.911 55.155 56.100 -0.057 0.000 0.864 55 R CB 1.480 31.718 30.300 -0.103 0.000 1.159 55 R HN 0.314 nan 8.270 nan 0.000 0.446 56 I N 4.569 125.112 120.570 -0.044 0.000 2.336 56 I HA 0.292 4.462 4.170 0.000 0.000 0.292 56 I C 0.390 176.480 176.117 -0.046 0.000 0.991 56 I CA -0.617 60.663 61.300 -0.033 0.000 1.227 56 I CB 1.229 39.219 38.000 -0.017 0.000 1.366 56 I HN 0.370 nan 8.210 nan 0.000 0.466 57 V N 2.890 122.777 119.914 -0.045 0.000 3.074 57 V HA 0.925 5.045 4.120 0.000 0.000 0.314 57 V C -0.143 175.937 176.094 -0.023 0.000 1.117 57 V CA -0.623 61.649 62.300 -0.046 0.000 1.014 57 V CB 1.900 33.680 31.823 -0.071 0.000 1.057 57 V HN 0.808 nan 8.190 nan 0.000 0.438 58 T N -0.797 113.746 114.554 -0.018 0.000 2.908 58 T HA 0.958 5.308 4.350 0.000 0.000 0.290 58 T C -0.348 174.349 174.700 -0.005 0.000 1.034 58 T CA -0.247 61.850 62.100 -0.005 0.000 1.010 58 T CB 1.669 70.535 68.868 -0.002 0.000 1.068 58 T HN 2.235 nan 8.240 nan 0.000 0.481 59 A N 1.396 124.218 122.820 0.004 0.000 2.532 59 A HA 0.570 4.890 4.320 0.000 0.000 0.296 59 A C -1.281 176.307 177.584 0.006 0.000 1.058 59 A CA -0.898 51.141 52.037 0.004 0.000 0.729 59 A CB 1.470 20.474 19.000 0.006 0.000 1.285 59 A HN 0.866 nan 8.150 nan 0.000 0.396 60 D N 2.697 123.099 120.400 0.002 0.000 2.383 60 D HA 0.291 4.931 4.640 0.000 0.000 0.245 60 D C 0.874 177.174 176.300 -0.000 0.000 1.263 60 D CA -0.084 53.915 54.000 -0.001 0.000 0.936 60 D CB 0.007 40.806 40.800 -0.002 0.000 1.053 60 D HN 0.423 nan 8.370 nan 0.000 0.507 61 L N 2.720 123.942 121.223 -0.001 0.000 2.456 61 L HA -0.063 4.277 4.340 0.000 0.000 0.224 61 L C 1.977 178.844 176.870 -0.004 0.000 1.148 61 L CA 0.731 55.572 54.840 0.002 0.000 0.825 61 L CB -0.153 41.909 42.059 0.005 0.000 0.937 61 L HN 0.301 nan 8.230 nan 0.000 0.450 62 K N -0.660 119.733 120.400 -0.012 0.000 2.459 62 K HA 0.026 4.346 4.320 0.000 0.000 0.193 62 K C 0.943 177.540 176.600 -0.005 0.000 1.030 62 K CA -0.075 56.205 56.287 -0.012 0.000 1.026 62 K CB 0.278 32.767 32.500 -0.019 0.000 0.809 62 K HN 0.089 nan 8.250 nan 0.000 0.504 63 S N 0.176 115.875 115.700 -0.001 0.000 2.654 63 S HA 0.076 4.546 4.470 0.000 0.000 0.283 63 S C 0.478 175.081 174.600 0.005 0.000 1.180 63 S CA -0.831 57.370 58.200 0.001 0.000 1.021 63 S CB 1.096 64.296 63.200 0.001 0.000 1.018 63 S HN 0.031 nan 8.310 nan 0.000 0.532 64 D N 1.628 122.031 120.400 0.005 0.000 2.117 64 D HA -0.110 4.530 4.640 0.000 0.000 0.197 64 D C 1.803 178.109 176.300 0.009 0.000 0.987 64 D CA 1.253 55.258 54.000 0.008 0.000 0.829 64 D CB -0.247 40.557 40.800 0.007 0.000 0.961 64 D HN 0.735 nan 8.370 nan 0.000 0.460 65 Q N 0.414 120.218 119.800 0.007 0.000 2.020 65 Q HA -0.112 4.228 4.340 0.000 0.000 0.202 65 Q C 2.164 178.169 176.000 0.008 0.000 0.982 65 Q CA 1.869 57.676 55.803 0.007 0.000 0.838 65 Q CB -0.371 28.369 28.738 0.004 0.000 0.899 65 Q HN 0.265 nan 8.270 nan 0.000 0.423 66 G N 1.307 110.112 108.800 0.007 0.000 2.418 66 G HA2 -0.270 3.690 3.960 0.000 0.000 0.217 66 G HA3 -0.270 3.690 3.960 0.000 0.000 0.217 66 G C 1.370 176.280 174.900 0.016 0.000 1.158 66 G CA 0.881 45.987 45.100 0.009 0.000 0.771 66 G HN 0.384 nan 8.290 nan 0.000 0.545 67 L N 0.683 121.916 121.223 0.017 0.000 2.017 67 L HA -0.010 4.330 4.340 0.000 0.000 0.208 67 L C 2.637 179.524 176.870 0.028 0.000 1.073 67 L CA 2.617 57.471 54.840 0.024 0.000 0.745 67 L CB -0.563 41.509 42.059 0.022 0.000 0.894 67 L HN 0.427 nan 8.230 nan 0.000 0.432 68 E N -0.334 119.880 120.200 0.023 0.000 2.038 68 E HA -0.265 4.085 4.350 0.000 0.000 0.195 68 E C 2.237 178.854 176.600 0.028 0.000 1.000 68 E CA 2.060 58.475 56.400 0.025 0.000 0.803 68 E CB -0.331 29.380 29.700 0.019 0.000 0.750 68 E HN 0.593 nan 8.360 nan 0.000 0.448 69 L N 0.520 121.757 121.223 0.022 0.000 2.046 69 L HA -0.184 4.156 4.340 0.000 0.000 0.208 69 L C 2.730 179.619 176.870 0.030 0.000 1.077 69 L CA 1.296 56.148 54.840 0.020 0.000 0.747 69 L CB -0.419 41.645 42.059 0.008 0.000 0.896 69 L HN 0.225 nan 8.230 nan 0.000 0.432 70 A N -0.243 122.597 122.820 0.033 0.000 1.898 70 A HA -0.145 4.175 4.320 0.000 0.000 0.216 70 A C 2.233 179.854 177.584 0.062 0.000 1.181 70 A CA 1.324 53.389 52.037 0.045 0.000 0.620 70 A CB -0.675 18.352 19.000 0.045 0.000 0.819 70 A HN 0.353 nan 8.150 nan 0.000 0.442 71 L N -0.622 120.636 121.223 0.058 0.000 2.201 71 L HA -0.178 4.162 4.340 0.000 0.000 0.212 71 L C 2.417 179.328 176.870 0.068 0.000 1.105 71 L CA 1.416 56.294 54.840 0.064 0.000 0.775 71 L CB -0.276 41.816 42.059 0.055 0.000 0.913 71 L HN 0.382 nan 8.230 nan 0.000 0.440 72 K N -0.640 119.799 120.400 0.064 0.000 2.155 72 K HA -0.144 4.176 4.320 0.000 0.000 0.203 72 K C 1.932 178.600 176.600 0.113 0.000 1.052 72 K CA 0.782 57.113 56.287 0.073 0.000 0.948 72 K CB -0.088 32.446 32.500 0.057 0.000 0.728 72 K HN 0.086 nan 8.250 nan 0.000 0.448 73 L N 1.366 122.661 121.223 0.121 0.000 2.072 73 L HA -0.012 4.328 4.340 0.000 0.000 0.205 73 L C 1.916 178.936 176.870 0.251 0.000 1.079 73 L CA 1.358 56.318 54.840 0.201 0.000 0.752 73 L CB -0.163 41.968 42.059 0.120 0.000 0.906 73 L HN 0.099 nan 8.230 nan 0.000 0.436 74 I N -0.749 119.911 120.570 0.151 0.000 2.394 74 I HA -0.256 3.914 4.170 0.000 0.000 0.251 74 I C 2.452 178.617 176.117 0.080 0.000 1.136 74 I CA 1.005 62.372 61.300 0.111 0.000 1.425 74 I CB -0.464 37.587 38.000 0.084 0.000 1.079 74 I HN 0.271 nan 8.210 nan 0.000 0.425 75 A N 0.076 122.944 122.820 0.080 0.000 2.024 75 A HA -0.178 4.142 4.320 0.000 0.000 0.220 75 A C 2.157 179.756 177.584 0.024 0.000 1.164 75 A CA 1.493 53.561 52.037 0.051 0.000 0.643 75 A CB -0.214 18.818 19.000 0.053 0.000 0.806 75 A HN 0.223 nan 8.150 nan 0.000 0.451 76 K N -0.739 119.687 120.400 0.043 0.000 2.358 76 K HA 0.375 4.695 4.320 0.000 0.000 0.197 76 K C 0.382 176.813 176.600 -0.280 0.000 1.025 76 K CA 0.533 56.787 56.287 -0.055 0.000 1.104 76 K CB 0.310 32.845 32.500 0.059 0.000 0.855 76 K HN 0.449 nan 8.250 nan 0.000 0.531 77 A N 0.915 123.616 122.820 -0.198 0.000 2.282 77 A HA 0.260 4.580 4.320 0.000 0.000 0.319 77 A C 0.434 177.905 177.584 -0.189 0.000 1.121 77 A CA -0.475 51.384 52.037 -0.297 0.000 0.836 77 A CB 0.666 19.611 19.000 -0.090 0.000 1.146 77 A HN 0.045 nan 8.150 nan 0.000 0.494 78 D N -0.492 119.793 120.400 -0.191 0.000 2.216 78 D HA 0.115 4.755 4.640 0.000 0.000 0.208 78 D C -0.050 176.215 176.300 -0.059 0.000 0.960 78 D CA 1.320 55.253 54.000 -0.112 0.000 0.861 78 D CB 0.362 41.094 40.800 -0.112 0.000 0.985 78 D HN 0.205 nan 8.370 nan 0.000 0.493 79 V N 1.525 121.406 119.914 -0.055 0.000 2.709 79 V HA 0.317 4.437 4.120 0.000 0.000 0.308 79 V C -0.953 175.111 176.094 -0.049 0.000 1.062 79 V CA -0.964 61.314 62.300 -0.036 0.000 0.901 79 V CB 2.856 34.664 31.823 -0.024 0.000 1.003 79 V HN -0.057 nan 8.190 nan 0.000 0.425 80 L N 5.810 126.970 121.223 -0.104 0.000 2.333 80 L HA 0.685 5.025 4.340 0.000 0.000 0.280 80 L C -0.778 175.957 176.870 -0.225 0.000 1.004 80 L CA 0.081 54.805 54.840 -0.194 0.000 0.820 80 L CB 1.271 43.109 42.059 -0.368 0.000 1.247 80 L HN 0.563 nan 8.230 nan 0.000 0.416 81 I N 4.663 125.140 120.570 -0.156 0.000 2.339 81 I HA 0.444 4.614 4.170 0.000 0.000 0.290 81 I C -0.686 175.330 176.117 -0.167 0.000 0.994 81 I CA -0.541 60.678 61.300 -0.135 0.000 1.191 81 I CB 1.655 39.612 38.000 -0.071 0.000 1.343 81 I HN 0.709 nan 8.210 nan 0.000 0.458 82 E N 4.452 124.542 120.200 -0.183 0.000 2.293 82 E HA 0.684 5.034 4.350 0.000 0.000 0.270 82 E C -0.309 176.149 176.600 -0.237 0.000 0.879 82 E CA -0.862 55.408 56.400 -0.217 0.000 0.756 82 E CB 1.967 31.613 29.700 -0.090 0.000 1.208 82 E HN 0.573 nan 8.360 nan 0.000 0.428 83 G N 1.839 110.355 108.800 -0.474 0.000 4.379 83 G HA2 0.222 4.182 3.960 0.000 0.000 0.290 83 G HA3 0.222 4.182 3.960 0.000 0.000 0.290 83 G C -0.920 173.766 174.900 -0.357 0.000 1.065 83 G CA -0.307 44.584 45.100 -0.349 0.000 0.833 83 G HN 0.379 nan 8.290 nan 0.000 0.512 84 Y N 0.310 120.623 120.300 0.021 0.000 2.418 84 Y HA 0.511 5.061 4.550 0.000 0.000 0.327 84 Y C 1.288 177.205 175.900 0.029 0.000 1.309 84 Y CA -1.115 57.000 58.100 0.025 0.000 1.423 84 Y CB 0.723 39.205 38.460 0.036 0.000 1.423 84 Y HN -0.151 nan 8.280 nan 0.000 0.532 85 R N 1.353 121.990 120.500 0.229 0.000 2.698 85 R HA 0.049 4.390 4.340 0.000 0.000 0.266 85 R C -2.493 173.891 176.300 0.139 0.000 1.026 85 R CA -1.426 54.762 56.100 0.148 0.000 1.102 85 R CB -0.425 29.949 30.300 0.123 0.000 0.978 85 R HN 0.259 nan 8.270 nan 0.000 0.436 86 P HA -0.079 nan 4.420 nan 0.000 0.264 86 P C 0.644 177.991 177.300 0.078 0.000 1.183 86 P CA 1.019 64.172 63.100 0.089 0.000 0.763 86 P CB 0.549 32.292 31.700 0.071 0.000 0.807 87 G N 1.033 109.875 108.800 0.070 0.000 2.234 87 G HA2 -0.298 3.662 3.960 0.000 0.000 0.235 87 G HA3 -0.298 3.662 3.960 0.000 0.000 0.235 87 G C 0.996 175.929 174.900 0.055 0.000 0.997 87 G CA 0.211 45.342 45.100 0.052 0.000 0.623 87 G HN 0.398 nan 8.290 nan 0.000 0.514 88 V N 1.996 121.957 119.914 0.078 0.000 2.244 88 V HA -0.151 3.969 4.120 0.000 0.000 0.244 88 V C 3.225 179.351 176.094 0.054 0.000 1.042 88 V CA 3.543 65.871 62.300 0.047 0.000 1.006 88 V CB -1.148 30.707 31.823 0.053 0.000 0.641 88 V HN 0.826 nan 8.190 nan 0.000 0.446 89 T N -1.453 113.182 114.554 0.136 0.000 2.788 89 T HA -0.247 4.104 4.350 0.000 0.000 0.268 89 T C 1.644 176.409 174.700 0.109 0.000 1.044 89 T CA 1.707 63.904 62.100 0.162 0.000 1.139 89 T CB -0.419 68.623 68.868 0.289 0.000 0.867 89 T HN 0.457 nan 8.240 nan 0.000 0.454 90 E N 1.369 121.618 120.200 0.082 0.000 2.033 90 E HA -0.088 4.263 4.350 0.000 0.000 0.199 90 E C 2.541 179.160 176.600 0.032 0.000 1.011 90 E CA 1.285 57.711 56.400 0.043 0.000 0.815 90 E CB -0.252 29.463 29.700 0.025 0.000 0.755 90 E HN 0.486 nan 8.360 nan 0.000 0.451 91 R N -0.003 120.512 120.500 0.025 0.000 2.127 91 R HA -0.089 4.251 4.340 0.000 0.000 0.238 91 R C 2.304 178.610 176.300 0.010 0.000 1.134 91 R CA 0.961 57.068 56.100 0.012 0.000 0.975 91 R CB -0.314 29.988 30.300 0.004 0.000 0.865 91 R HN 0.198 nan 8.270 nan 0.000 0.447 92 L N -0.918 120.314 121.223 0.014 0.000 2.291 92 L HA 0.014 4.354 4.340 0.000 0.000 0.214 92 L C 1.278 178.165 176.870 0.028 0.000 1.120 92 L CA 0.910 55.758 54.840 0.013 0.000 0.799 92 L CB -0.091 41.975 42.059 0.012 0.000 0.925 92 L HN 0.546 nan 8.230 nan 0.000 0.446 93 G N -0.258 108.565 108.800 0.038 0.000 2.131 93 G HA2 -0.253 3.707 3.960 0.000 0.000 0.223 93 G HA3 -0.253 3.707 3.960 0.000 0.000 0.223 93 G C 0.420 175.360 174.900 0.066 0.000 0.990 93 G CA -0.027 45.099 45.100 0.042 0.000 0.671 93 G HN 0.286 nan 8.290 nan 0.000 0.521 94 L N 0.716 121.996 121.223 0.095 0.000 2.959 94 L HA 0.411 4.751 4.340 0.000 0.000 0.259 94 L C 1.730 178.746 176.870 0.242 0.000 1.185 94 L CA 0.024 54.956 54.840 0.154 0.000 0.998 94 L CB 0.435 42.582 42.059 0.148 0.000 1.337 94 L HN 0.326 nan 8.230 nan 0.000 0.555 95 G N 0.469 109.352 108.800 0.138 0.000 2.667 95 G HA2 0.137 4.097 3.960 0.000 0.000 0.250 95 G HA3 0.137 4.097 3.960 0.000 0.000 0.250 95 G C -1.788 173.045 174.900 -0.112 0.000 1.212 95 G CA -0.728 44.395 45.100 0.039 0.000 0.874 95 G HN -0.031 nan 8.290 nan 0.000 0.561 96 P HA -0.134 nan 4.420 nan 0.000 0.216 96 P C 1.519 178.703 177.300 -0.195 0.000 1.157 96 P CA 1.472 64.197 63.100 -0.626 0.000 0.880 96 P CB 0.229 31.542 31.700 -0.644 0.000 0.791 97 E N -1.079 119.043 120.200 -0.131 0.000 2.204 97 E HA -0.168 4.183 4.350 0.000 0.000 0.194 97 E C 1.913 178.502 176.600 -0.018 0.000 0.989 97 E CA 0.654 57.019 56.400 -0.059 0.000 0.824 97 E CB -0.116 29.555 29.700 -0.049 0.000 0.756 97 E HN 0.276 nan 8.360 nan 0.000 0.477 98 E N -0.232 119.968 120.200 -0.000 0.000 2.086 98 E HA -0.098 4.252 4.350 0.000 0.000 0.190 98 E C 2.184 178.816 176.600 0.054 0.000 0.975 98 E CA 0.499 56.917 56.400 0.029 0.000 0.813 98 E CB -0.254 29.471 29.700 0.042 0.000 0.768 98 E HN 0.307 nan 8.360 nan 0.000 0.457 99 C N 1.135 120.489 119.300 0.089 0.000 2.422 99 C HA -0.042 4.419 4.460 0.000 0.000 0.279 99 C C 2.810 177.851 174.990 0.084 0.000 1.305 99 C CA 0.764 59.858 59.018 0.127 0.000 1.757 99 C CB -1.019 26.881 27.740 0.267 0.000 1.962 99 C HN 0.447 nan 8.230 nan 0.000 0.499 100 A N 0.668 123.518 122.820 0.050 0.000 1.972 100 A HA -0.203 4.117 4.320 0.000 0.000 0.219 100 A C 2.137 179.735 177.584 0.022 0.000 1.169 100 A CA 1.534 53.588 52.037 0.028 0.000 0.635 100 A CB -0.425 18.576 19.000 0.002 0.000 0.810 100 A HN 0.717 nan 8.150 nan 0.000 0.446 101 K N -0.434 119.980 120.400 0.023 0.000 2.148 101 K HA -0.079 4.241 4.320 0.000 0.000 0.204 101 K C 1.602 178.215 176.600 0.022 0.000 1.050 101 K CA 1.622 57.920 56.287 0.018 0.000 0.942 101 K CB -0.191 32.320 32.500 0.018 0.000 0.724 101 K HN 0.580 nan 8.250 nan 0.000 0.446 102 V N -2.952 116.980 119.914 0.031 0.000 3.661 102 V HA 0.174 4.295 4.120 0.000 0.000 0.271 102 V C 0.097 176.208 176.094 0.028 0.000 1.315 102 V CA -0.140 62.178 62.300 0.031 0.000 1.072 102 V CB -0.241 31.606 31.823 0.040 0.000 0.830 102 V HN 0.257 nan 8.190 nan 0.000 0.443 103 N N 1.240 119.958 118.700 0.030 0.000 2.932 103 N HA 0.087 4.827 4.740 0.000 0.000 0.242 103 N C -0.170 175.355 175.510 0.025 0.000 1.351 103 N CA 0.439 53.503 53.050 0.023 0.000 0.785 103 N CB 1.031 39.534 38.487 0.026 0.000 1.501 103 N HN 0.336 nan 8.380 nan 0.000 0.584 104 D N 2.185 122.592 120.400 0.012 0.000 2.349 104 D HA -0.042 4.598 4.640 0.000 0.000 0.224 104 D C 0.778 177.081 176.300 0.005 0.000 1.029 104 D CA 0.324 54.330 54.000 0.010 0.000 0.879 104 D CB 0.161 40.961 40.800 0.001 0.000 0.906 104 D HN 0.508 nan 8.370 nan 0.000 0.528 105 R N -0.360 120.139 120.500 -0.001 0.000 2.334 105 R HA 0.215 4.555 4.340 0.000 0.000 0.216 105 R C 0.220 176.520 176.300 -0.000 0.000 0.905 105 R CA -0.573 55.521 56.100 -0.010 0.000 1.064 105 R CB 0.187 30.470 30.300 -0.028 0.000 1.046 105 R HN 0.108 nan 8.270 nan 0.000 0.508 106 L N 1.776 123.013 121.223 0.023 0.000 2.360 106 L HA 0.181 4.522 4.340 0.000 0.000 0.276 106 L C -0.424 176.487 176.870 0.068 0.000 1.121 106 L CA -0.074 54.792 54.840 0.042 0.000 0.845 106 L CB 0.521 42.627 42.059 0.080 0.000 1.143 106 L HN -0.078 nan 8.230 nan 0.000 0.452 107 I N 6.599 127.198 120.570 0.048 0.000 2.308 107 I HA 0.115 4.285 4.170 0.000 0.000 0.293 107 I C -0.668 175.506 176.117 0.095 0.000 1.078 107 I CA 0.271 61.613 61.300 0.069 0.000 1.292 107 I CB -0.061 37.964 38.000 0.041 0.000 1.423 107 I HN 0.453 nan 8.210 nan 0.000 0.493 108 Y N 6.282 126.591 120.300 0.015 0.000 2.477 108 Y HA 0.610 5.160 4.550 0.000 0.000 0.349 108 Y C 0.349 176.261 175.900 0.019 0.000 0.977 108 Y CA -0.759 57.353 58.100 0.019 0.000 1.214 108 Y CB 0.609 39.081 38.460 0.020 0.000 1.124 108 Y HN 0.639 nan 8.280 nan 0.000 0.521 109 A N 7.709 130.555 122.820 0.044 0.000 2.280 109 A HA 0.521 4.841 4.320 0.000 0.000 0.320 109 A C -0.572 177.043 177.584 0.052 0.000 1.366 109 A CA -0.864 51.208 52.037 0.059 0.000 0.938 109 A CB 0.190 19.194 19.000 0.006 0.000 1.157 109 A HN 0.842 nan 8.150 nan 0.000 0.536 110 R N 2.560 123.133 120.500 0.122 0.000 2.215 110 R HA 0.366 4.706 4.340 0.000 0.000 0.336 110 R C -0.898 175.417 176.300 0.025 0.000 0.996 110 R CA -0.562 55.597 56.100 0.098 0.000 0.847 110 R CB 1.170 31.564 30.300 0.156 0.000 1.127 110 R HN 0.655 nan 8.270 nan 0.000 0.465 111 M N 3.364 122.950 119.600 -0.024 0.000 2.069 111 M HA 0.147 4.627 4.480 0.000 0.000 0.349 111 M C -0.489 175.749 176.300 -0.103 0.000 1.194 111 M CA -0.076 55.188 55.300 -0.060 0.000 1.081 111 M CB 0.970 33.530 32.600 -0.067 0.000 1.500 111 M HN 0.731 nan 8.290 nan 0.000 0.438 112 T N 0.655 115.126 114.554 -0.138 0.000 2.838 112 T HA 0.806 5.156 4.350 0.000 0.000 0.292 112 T C 0.577 175.016 174.700 -0.435 0.000 1.113 112 T CA -0.431 61.539 62.100 -0.216 0.000 1.008 112 T CB 1.373 70.173 68.868 -0.113 0.000 1.259 112 T HN 0.490 nan 8.240 nan 0.000 0.520 113 G N -1.036 107.305 108.800 -0.765 0.000 2.497 113 G HA2 0.117 4.077 3.960 0.000 0.000 0.210 113 G HA3 0.117 4.077 3.960 0.000 0.000 0.210 113 G C 0.793 175.034 174.900 -1.098 0.000 1.177 113 G CA -0.390 43.682 45.100 -1.713 0.000 0.822 113 G HN 0.808 nan 8.290 nan 0.000 0.550 114 W N 0.652 121.736 121.300 -0.359 0.000 2.737 114 W HA 0.423 5.083 4.660 0.000 0.000 0.262 114 W C 1.433 177.899 176.519 -0.089 0.000 1.282 114 W CA 0.369 57.648 57.345 -0.109 0.000 1.386 114 W CB 0.496 29.965 29.460 0.014 0.000 1.099 114 W HN 0.544 nan 8.180 nan 0.000 0.621 115 G N -0.025 108.825 108.800 0.083 0.000 2.525 115 G HA2 -0.216 3.744 3.960 0.000 0.000 0.685 115 G HA3 -0.216 3.744 3.960 0.000 0.000 0.685 115 G C 0.152 175.092 174.900 0.066 0.000 1.290 115 G CA -0.382 44.749 45.100 0.052 0.000 0.915 115 G HN -0.058 nan 8.290 nan 0.000 0.548 116 Q N -0.606 119.220 119.800 0.044 0.000 2.269 116 Q HA 0.131 4.471 4.340 0.000 0.000 0.201 116 Q C 1.784 177.808 176.000 0.040 0.000 0.946 116 Q CA 1.984 57.812 55.803 0.041 0.000 0.877 116 Q CB 0.136 28.890 28.738 0.026 0.000 0.963 116 Q HN 1.255 nan 8.270 nan 0.000 0.472 117 T N -3.396 111.179 114.554 0.035 0.000 2.887 117 T HA 0.720 5.070 4.350 0.000 0.000 0.292 117 T C 0.018 174.731 174.700 0.021 0.000 1.087 117 T CA -0.151 61.963 62.100 0.023 0.000 1.009 117 T CB 2.554 71.427 68.868 0.009 0.000 1.203 117 T HN 0.335 nan 8.240 nan 0.000 0.518 118 G N 1.400 110.201 108.800 0.001 0.000 2.515 118 G HA2 0.143 4.103 3.960 0.000 0.000 0.686 118 G HA3 0.143 4.103 3.960 0.000 0.000 0.686 118 G C -2.198 172.674 174.900 -0.047 0.000 1.274 118 G CA -0.249 44.839 45.100 -0.020 0.000 0.874 118 G HN 0.685 nan 8.290 nan 0.000 0.631 119 P HA -0.111 nan 4.420 nan 0.000 0.218 119 P C 1.353 178.563 177.300 -0.150 0.000 1.146 119 P CA 1.227 64.267 63.100 -0.099 0.000 0.813 119 P CB 0.068 31.704 31.700 -0.107 0.000 0.778 120 R N -0.525 119.833 120.500 -0.235 0.000 2.362 120 R HA 0.136 4.476 4.340 0.000 0.000 0.227 120 R C 2.145 178.327 176.300 -0.197 0.000 0.905 120 R CA 0.540 56.398 56.100 -0.404 0.000 1.067 120 R CB -0.210 29.483 30.300 -1.011 0.000 1.078 120 R HN 0.257 nan 8.270 nan 0.000 0.516 121 S N 0.609 116.299 115.700 -0.018 0.000 2.469 121 S HA -0.105 4.365 4.470 0.000 0.000 0.238 121 S C 1.550 176.236 174.600 0.143 0.000 0.998 121 S CA 0.796 59.073 58.200 0.129 0.000 0.957 121 S CB 0.077 63.334 63.200 0.094 0.000 0.764 121 S HN 0.186 nan 8.310 nan 0.000 0.514 122 Q N 0.515 120.366 119.800 0.086 0.000 2.282 122 Q HA 0.299 4.639 4.340 0.000 0.000 0.206 122 Q C 0.197 176.266 176.000 0.116 0.000 0.878 122 Q CA 0.071 55.930 55.803 0.093 0.000 0.944 122 Q CB 0.211 28.980 28.738 0.051 0.000 1.100 122 Q HN 0.742 nan 8.270 nan 0.000 0.509 123 Q N 0.388 120.275 119.800 0.146 0.000 2.267 123 Q HA 0.462 4.802 4.340 0.000 0.000 0.255 123 Q C -0.711 175.479 176.000 0.316 0.000 0.923 123 Q CA -0.285 55.619 55.803 0.168 0.000 0.925 123 Q CB 1.105 29.871 28.738 0.046 0.000 1.195 123 Q HN 0.211 nan 8.270 nan 0.000 0.417 124 A N 2.631 125.581 122.820 0.218 0.000 2.483 124 A HA 0.595 4.915 4.320 0.000 0.000 0.238 124 A C 0.291 178.023 177.584 0.247 0.000 1.070 124 A CA 0.712 52.864 52.037 0.191 0.000 0.770 124 A CB 0.224 19.300 19.000 0.127 0.000 1.008 124 A HN 0.854 nan 8.150 nan 0.000 0.497 125 G N 0.246 109.117 108.800 0.117 0.000 2.506 125 G HA2 0.577 4.537 3.960 0.000 0.000 0.292 125 G HA3 0.577 4.537 3.960 0.000 0.000 0.292 125 G C -1.234 173.464 174.900 -0.336 0.000 1.425 125 G CA -0.669 44.404 45.100 -0.045 0.000 0.788 125 G HN 0.851 nan 8.290 nan 0.000 0.490 126 H N -0.927 117.893 119.070 -0.417 0.000 2.931 126 H HA 0.324 4.880 4.556 0.000 0.000 0.331 126 H C 0.536 175.553 175.328 -0.519 0.000 1.273 126 H CA -0.340 55.542 56.048 -0.277 0.000 1.171 126 H CB 2.453 32.136 29.762 -0.132 0.000 1.898 126 H HN 0.638 nan 8.280 nan 0.000 0.562 127 D N 0.847 121.222 120.400 -0.042 0.000 2.154 127 D HA -0.188 4.452 4.640 0.000 0.000 0.190 127 D C 1.818 178.028 176.300 -0.150 0.000 1.003 127 D CA 1.528 55.502 54.000 -0.042 0.000 0.849 127 D CB 0.070 40.843 40.800 -0.045 0.000 0.942 127 D HN 0.497 nan 8.370 nan 0.000 0.446 128 I N 0.316 120.810 120.570 -0.126 0.000 2.264 128 I HA -0.315 3.855 4.170 0.000 0.000 0.248 128 I C 1.671 177.712 176.117 -0.126 0.000 1.111 128 I CA 1.399 62.646 61.300 -0.089 0.000 1.382 128 I CB -0.164 37.805 38.000 -0.052 0.000 1.060 128 I HN 0.064 nan 8.210 nan 0.000 0.418 129 N N -0.378 118.153 118.700 -0.281 0.000 2.142 129 N HA -0.211 4.529 4.740 0.000 0.000 0.186 129 N C 1.607 176.980 175.510 -0.229 0.000 1.023 129 N CA 1.534 54.446 53.050 -0.230 0.000 0.852 129 N CB -0.300 38.044 38.487 -0.238 0.000 0.998 129 N HN 0.327 nan 8.380 nan 0.000 0.424 130 Y N 1.287 121.447 120.300 -0.233 0.000 2.242 130 Y HA -0.017 4.533 4.550 0.000 0.000 0.291 130 Y C 2.105 177.970 175.900 -0.059 0.000 1.137 130 Y CA 0.382 58.254 58.100 -0.381 0.000 1.181 130 Y CB -0.897 37.223 38.460 -0.566 0.000 0.989 130 Y HN 0.158 nan 8.280 nan 0.000 0.527 131 I N -1.706 118.909 120.570 0.074 0.000 3.001 131 I HA -0.075 4.095 4.170 0.000 0.000 0.268 131 I C 2.056 178.242 176.117 0.115 0.000 1.267 131 I CA 1.318 62.674 61.300 0.093 0.000 1.472 131 I CB -0.564 37.473 38.000 0.062 0.000 1.089 131 I HN 0.161 nan 8.210 nan 0.000 0.468 132 S N 1.364 117.133 115.700 0.116 0.000 2.446 132 S HA -0.006 4.464 4.470 0.000 0.000 0.225 132 S C 1.848 176.548 174.600 0.168 0.000 1.016 132 S CA 0.358 58.636 58.200 0.130 0.000 0.943 132 S CB -0.523 62.740 63.200 0.106 0.000 0.786 132 S HN 0.471 nan 8.310 nan 0.000 0.508 133 L N 2.979 124.342 121.223 0.234 0.000 2.492 133 L HA 0.279 4.619 4.340 0.000 0.000 0.223 133 L C 1.342 178.341 176.870 0.214 0.000 1.132 133 L CA 0.924 55.908 54.840 0.240 0.000 0.850 133 L CB -0.432 41.844 42.059 0.361 0.000 0.966 133 L HN 0.673 nan 8.230 nan 0.000 0.454 134 N N -2.570 116.262 118.700 0.220 0.000 2.234 134 N HA 0.205 4.945 4.740 0.000 0.000 0.227 134 N C 1.136 176.804 175.510 0.262 0.000 1.151 134 N CA 0.506 53.706 53.050 0.251 0.000 0.865 134 N CB 0.642 39.274 38.487 0.242 0.000 1.066 134 N HN 0.108 nan 8.380 nan 0.000 0.515 135 G N 1.504 110.404 108.800 0.168 0.000 2.234 135 G HA2 -0.323 3.637 3.960 0.000 0.000 0.260 135 G HA3 -0.323 3.637 3.960 0.000 0.000 0.260 135 G C 0.795 175.744 174.900 0.082 0.000 0.987 135 G CA 0.481 45.631 45.100 0.084 0.000 0.625 135 G HN 0.356 nan 8.290 nan 0.000 0.532 136 I N -0.059 120.573 120.570 0.103 0.000 2.113 136 I HA -0.151 4.019 4.170 0.000 0.000 0.238 136 I C 2.657 178.833 176.117 0.098 0.000 1.070 136 I CA 1.786 63.135 61.300 0.081 0.000 1.332 136 I CB -0.480 37.570 38.000 0.084 0.000 1.044 136 I HN 0.306 nan 8.210 nan 0.000 0.402 137 L N 0.595 121.881 121.223 0.105 0.000 2.042 137 L HA -0.277 4.063 4.340 0.000 0.000 0.210 137 L C 2.676 179.603 176.870 0.096 0.000 1.076 137 L CA 1.978 56.870 54.840 0.086 0.000 0.749 137 L CB -1.204 40.900 42.059 0.074 0.000 0.893 137 L HN 0.306 nan 8.230 nan 0.000 0.432 138 H N -0.298 118.794 119.070 0.036 0.000 2.460 138 H HA -0.122 4.434 4.556 0.000 0.000 0.297 138 H C 1.641 176.988 175.328 0.032 0.000 1.103 138 H CA 1.455 57.521 56.048 0.030 0.000 1.292 138 H CB 0.287 30.067 29.762 0.030 0.000 1.376 138 H HN 0.493 nan 8.280 nan 0.000 0.531 139 A N 0.369 123.289 122.820 0.168 0.000 2.251 139 A HA 0.232 4.552 4.320 0.000 0.000 0.209 139 A C 0.925 178.569 177.584 0.100 0.000 1.187 139 A CA -0.182 51.955 52.037 0.166 0.000 0.823 139 A CB 0.102 19.234 19.000 0.221 0.000 0.846 139 A HN 0.235 nan 8.150 nan 0.000 0.486 140 I N -0.014 120.582 120.570 0.044 0.000 2.378 140 I HA 0.584 4.754 4.170 0.000 0.000 0.291 140 I C 0.632 176.741 176.117 -0.014 0.000 0.992 140 I CA 0.038 61.355 61.300 0.028 0.000 1.154 140 I CB 1.505 39.526 38.000 0.035 0.000 1.315 140 I HN 0.350 nan 8.210 nan 0.000 0.448 141 G N 5.130 113.918 108.800 -0.019 0.000 2.408 141 G HA2 -0.059 3.901 3.960 0.000 0.000 0.682 141 G HA3 -0.059 3.901 3.960 0.000 0.000 0.682 141 G C -0.990 173.875 174.900 -0.058 0.000 1.303 141 G CA -1.132 43.941 45.100 -0.044 0.000 0.966 141 G HN 0.431 nan 8.290 nan 0.000 0.560 142 R N 0.053 120.513 120.500 -0.067 0.000 2.594 142 R HA 0.416 4.756 4.340 0.000 0.000 0.272 142 R C 1.809 178.066 176.300 -0.072 0.000 1.074 142 R CA 0.250 56.307 56.100 -0.071 0.000 1.105 142 R CB 0.499 30.756 30.300 -0.071 0.000 1.008 142 R HN 1.133 nan 8.270 nan 0.000 0.472 143 G N 1.255 110.013 108.800 -0.069 0.000 2.509 143 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 143 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 143 G C 0.620 175.484 174.900 -0.060 0.000 1.124 143 G CA 0.516 45.575 45.100 -0.070 0.000 0.776 143 G HN 0.654 nan 8.290 nan 0.000 0.547 144 D N 0.154 120.523 120.400 -0.051 0.000 2.339 144 D HA 0.050 4.690 4.640 0.000 0.000 0.217 144 D C 0.828 177.103 176.300 -0.041 0.000 1.050 144 D CA 0.009 53.985 54.000 -0.040 0.000 0.856 144 D CB 0.000 40.781 40.800 -0.032 0.000 0.922 144 D HN 0.606 nan 8.370 nan 0.000 0.518 145 E N -0.068 120.101 120.200 -0.051 0.000 2.410 145 E HA 0.315 4.665 4.350 0.000 0.000 0.269 145 E C -0.196 176.368 176.600 -0.061 0.000 0.937 145 E CA -1.269 55.102 56.400 -0.048 0.000 0.793 145 E CB 1.735 31.408 29.700 -0.045 0.000 1.314 145 E HN -0.001 nan 8.360 nan 0.000 0.447 146 R N 0.661 121.131 120.500 -0.051 0.000 2.694 146 R HA 0.276 4.616 4.340 0.000 0.000 0.268 146 R C -2.225 174.038 176.300 -0.062 0.000 1.061 146 R CA -1.168 54.898 56.100 -0.056 0.000 1.133 146 R CB -0.414 29.865 30.300 -0.034 0.000 1.020 146 R HN 0.288 nan 8.270 nan 0.000 0.475 147 P HA -0.022 nan 4.420 nan 0.000 0.269 147 P C -0.734 176.544 177.300 -0.036 0.000 1.215 147 P CA -0.417 62.643 63.100 -0.067 0.000 0.780 147 P CB 0.789 32.447 31.700 -0.069 0.000 0.898 148 V N 3.734 123.630 119.914 -0.029 0.000 2.513 148 V HA 0.461 4.582 4.120 0.000 0.000 0.299 148 V C -2.409 173.681 176.094 -0.006 0.000 1.035 148 V CA -2.855 59.433 62.300 -0.020 0.000 0.889 148 V CB 1.605 33.412 31.823 -0.027 0.000 0.988 148 V HN 0.437 nan 8.190 nan 0.000 0.440 149 P HA 0.230 nan 4.420 nan 0.000 0.267 149 P C -2.506 174.805 177.300 0.018 0.000 1.209 149 P CA -1.181 61.924 63.100 0.009 0.000 0.763 149 P CB -0.017 31.686 31.700 0.005 0.000 0.816 150 P HA 0.032 nan 4.420 nan 0.000 0.232 150 P C 0.427 177.764 177.300 0.062 0.000 1.738 150 P CA 0.162 63.287 63.100 0.042 0.000 0.948 150 P CB -0.478 31.251 31.700 0.049 0.000 1.943 151 L N -1.066 120.193 121.223 0.060 0.000 6.641 151 L HA -0.328 4.012 4.340 0.000 0.000 0.053 151 L C 1.123 178.035 176.870 0.070 0.000 1.672 151 L CA 1.718 56.606 54.840 0.079 0.000 1.732 151 L CB -1.491 40.642 42.059 0.123 0.000 2.658 151 L HN 0.347 nan 8.230 nan 0.000 1.033 152 N N 0.237 118.999 118.700 0.103 0.000 2.458 152 N HA 0.261 5.001 4.740 0.000 0.000 0.274 152 N C 0.576 176.128 175.510 0.069 0.000 1.242 152 N CA -0.080 52.989 53.050 0.032 0.000 0.904 152 N CB 0.240 38.702 38.487 -0.042 0.000 1.206 152 N HN 0.623 nan 8.380 nan 0.000 0.510 153 L N -0.609 120.711 121.223 0.162 0.000 2.209 153 L HA 0.078 4.418 4.340 0.000 0.000 0.207 153 L C 1.768 178.735 176.870 0.162 0.000 1.094 153 L CA 0.548 55.536 54.840 0.247 0.000 0.790 153 L CB 0.152 42.324 42.059 0.188 0.000 0.932 153 L HN 0.037 nan 8.230 nan 0.000 0.447 154 V N -0.909 119.058 119.914 0.088 0.000 2.500 154 V HA 0.050 4.170 4.120 0.000 0.000 0.243 154 V C 2.274 178.396 176.094 0.048 0.000 1.039 154 V CA 1.534 63.883 62.300 0.080 0.000 1.053 154 V CB -0.503 31.362 31.823 0.070 0.000 0.695 154 V HN 0.464 nan 8.190 nan 0.000 0.463 155 G N -0.319 108.477 108.800 -0.007 0.000 2.557 155 G HA2 -0.115 3.845 3.960 0.000 0.000 0.213 155 G HA3 -0.115 3.845 3.960 0.000 0.000 0.213 155 G C 1.131 175.957 174.900 -0.123 0.000 1.221 155 G CA 0.712 45.794 45.100 -0.030 0.000 0.832 155 G HN 0.414 nan 8.290 nan 0.000 0.556 156 D N 0.301 120.528 120.400 -0.288 0.000 2.116 156 D HA -0.073 4.567 4.640 0.000 0.000 0.193 156 D C 2.086 178.062 176.300 -0.540 0.000 0.998 156 D CA 1.116 54.765 54.000 -0.585 0.000 0.836 156 D CB -0.146 39.980 40.800 -1.124 0.000 0.951 156 D HN 0.328 nan 8.370 nan 0.000 0.449 157 F N -0.428 119.512 119.950 -0.017 0.000 2.482 157 F HA 0.300 4.827 4.527 0.000 0.000 0.278 157 F C 2.580 178.423 175.800 0.072 0.000 0.969 157 F CA 0.486 58.464 58.000 -0.036 0.000 1.223 157 F CB -1.127 37.756 39.000 -0.195 0.000 1.140 157 F HN -0.071 nan 8.300 nan 0.000 0.672 158 G N -0.339 108.614 108.800 0.255 0.000 2.440 158 G HA2 -0.071 3.890 3.960 0.000 0.000 0.218 158 G HA3 -0.071 3.890 3.960 0.000 0.000 0.218 158 G C 1.686 176.780 174.900 0.324 0.000 1.154 158 G CA 1.001 46.238 45.100 0.229 0.000 0.767 158 G HN 0.536 nan 8.290 nan 0.000 0.552 159 G N -0.720 108.241 108.800 0.269 0.000 3.575 159 G HA2 0.489 4.449 3.960 0.000 0.000 0.273 159 G HA3 0.489 4.449 3.960 0.000 0.000 0.273 159 G C 0.735 175.739 174.900 0.174 0.000 1.053 159 G CA 0.942 46.210 45.100 0.281 0.000 0.803 159 G HN 0.657 nan 8.290 nan 0.000 0.528 160 G N 0.647 109.561 108.800 0.190 0.000 2.474 160 G HA2 0.194 4.154 3.960 0.000 0.000 0.205 160 G HA3 0.194 4.154 3.960 0.000 0.000 0.205 160 G C 1.898 176.890 174.900 0.154 0.000 1.934 160 G CA 1.183 46.325 45.100 0.070 0.000 0.713 160 G HN 0.466 nan 8.290 nan 0.000 0.773 161 S N 0.368 116.171 115.700 0.172 0.000 2.383 161 S HA -0.158 4.312 4.470 0.000 0.000 0.229 161 S C 2.400 177.120 174.600 0.199 0.000 1.030 161 S CA 2.108 60.444 58.200 0.227 0.000 1.002 161 S CB -0.367 63.084 63.200 0.420 0.000 0.829 161 S HN 0.112 nan 8.310 nan 0.000 0.467 162 M N 0.404 120.124 119.600 0.201 0.000 2.159 162 M HA 0.128 4.608 4.480 0.000 0.000 0.263 162 M C 1.889 178.143 176.300 -0.076 0.000 1.063 162 M CA 1.103 56.433 55.300 0.050 0.000 1.110 162 M CB -1.661 30.934 32.600 -0.008 0.000 1.374 162 M HN 0.374 nan 8.290 nan 0.000 0.411 163 F N -0.276 119.704 119.950 0.051 0.000 2.293 163 F HA -0.130 4.397 4.527 0.000 0.000 0.297 163 F C 2.181 177.998 175.800 0.027 0.000 1.089 163 F CA 0.458 58.477 58.000 0.031 0.000 1.377 163 F CB -0.739 38.271 39.000 0.016 0.000 1.051 163 F HN 0.035 nan 8.300 nan 0.000 0.511 164 L N 0.235 121.567 121.223 0.183 0.000 2.012 164 L HA -0.216 4.125 4.340 0.000 0.000 0.210 164 L C 2.095 179.009 176.870 0.073 0.000 1.073 164 L CA 1.814 56.718 54.840 0.107 0.000 0.748 164 L CB -0.841 41.266 42.059 0.080 0.000 0.891 164 L HN 0.108 nan 8.230 nan 0.000 0.431 165 L N -2.150 119.106 121.223 0.055 0.000 1.994 165 L HA -0.234 4.106 4.340 0.000 0.000 0.208 165 L C 2.450 179.328 176.870 0.014 0.000 1.071 165 L CA 1.206 56.062 54.840 0.026 0.000 0.745 165 L CB -0.860 41.207 42.059 0.012 0.000 0.892 165 L HN 0.087 nan 8.230 nan 0.000 0.431 166 V N 0.473 120.379 119.914 -0.013 0.000 2.252 166 V HA -0.286 3.835 4.120 0.000 0.000 0.249 166 V C 2.663 178.779 176.094 0.036 0.000 1.056 166 V CA 2.227 64.514 62.300 -0.020 0.000 1.022 166 V CB -1.394 30.373 31.823 -0.093 0.000 0.641 166 V HN 0.605 nan 8.190 nan 0.000 0.445 167 G N -0.276 108.566 108.800 0.071 0.000 2.491 167 G HA2 -0.287 3.673 3.960 0.000 0.000 0.218 167 G HA3 -0.287 3.673 3.960 0.000 0.000 0.218 167 G C 1.568 176.511 174.900 0.072 0.000 1.180 167 G CA 1.408 46.559 45.100 0.085 0.000 0.774 167 G HN 0.494 nan 8.290 nan 0.000 0.562 168 I N 0.218 120.823 120.570 0.059 0.000 2.127 168 I HA -0.166 4.004 4.170 0.000 0.000 0.241 168 I C 2.771 178.920 176.117 0.053 0.000 1.075 168 I CA 0.915 62.245 61.300 0.049 0.000 1.334 168 I CB -0.221 37.798 38.000 0.032 0.000 1.040 168 I HN 0.137 nan 8.210 nan 0.000 0.405 169 L N 0.168 121.420 121.223 0.049 0.000 2.109 169 L HA -0.119 4.221 4.340 0.000 0.000 0.207 169 L C 2.807 179.739 176.870 0.103 0.000 1.086 169 L CA 1.060 55.935 54.840 0.057 0.000 0.760 169 L CB -0.665 41.413 42.059 0.032 0.000 0.910 169 L HN 0.210 nan 8.230 nan 0.000 0.437 170 A N 0.241 123.119 122.820 0.096 0.000 1.908 170 A HA -0.225 4.095 4.320 0.000 0.000 0.218 170 A C 2.512 180.219 177.584 0.206 0.000 1.181 170 A CA 1.950 54.077 52.037 0.149 0.000 0.627 170 A CB -0.748 18.317 19.000 0.107 0.000 0.818 170 A HN 0.399 nan 8.150 nan 0.000 0.445 171 A N -0.568 122.331 122.820 0.131 0.000 1.930 171 A HA 0.055 4.375 4.320 0.000 0.000 0.217 171 A C 2.137 179.770 177.584 0.083 0.000 1.175 171 A CA 1.316 53.413 52.037 0.100 0.000 0.627 171 A CB -0.537 18.506 19.000 0.073 0.000 0.815 171 A HN 0.465 nan 8.150 nan 0.000 0.443 172 L N -1.245 120.033 121.223 0.092 0.000 2.083 172 L HA -0.213 4.127 4.340 0.000 0.000 0.209 172 L C 2.613 179.545 176.870 0.104 0.000 1.083 172 L CA 1.569 56.452 54.840 0.071 0.000 0.752 172 L CB -0.511 41.586 42.059 0.063 0.000 0.899 172 L HN 0.831 nan 8.230 nan 0.000 0.433 173 W N 1.366 122.661 121.300 -0.008 0.000 2.354 173 W HA -0.231 4.429 4.660 0.000 0.000 0.315 173 W C 2.232 178.748 176.519 -0.004 0.000 1.206 173 W CA 1.738 59.079 57.345 -0.006 0.000 1.290 173 W CB -0.193 29.266 29.460 -0.002 0.000 1.152 173 W HN 0.224 nan 8.180 nan 0.000 0.489 174 E N 1.195 121.316 120.200 -0.132 0.000 2.118 174 E HA -0.289 4.061 4.350 0.000 0.000 0.195 174 E C 2.264 178.731 176.600 -0.222 0.000 0.992 174 E CA 1.482 57.739 56.400 -0.240 0.000 0.804 174 E CB -0.547 29.132 29.700 -0.035 0.000 0.741 174 E HN 0.331 nan 8.360 nan 0.000 0.458 175 R N 0.243 120.666 120.500 -0.127 0.000 2.193 175 R HA -0.135 4.205 4.340 0.000 0.000 0.229 175 R C 2.280 178.495 176.300 -0.140 0.000 1.110 175 R CA 1.322 57.361 56.100 -0.102 0.000 0.988 175 R CB 0.046 30.314 30.300 -0.053 0.000 0.871 175 R HN 0.235 nan 8.270 nan 0.000 0.458 176 Q N -0.616 119.058 119.800 -0.209 0.000 2.167 176 Q HA -0.115 4.225 4.340 0.000 0.000 0.202 176 Q C 2.008 177.875 176.000 -0.223 0.000 0.970 176 Q CA 2.022 57.697 55.803 -0.214 0.000 0.855 176 Q CB 0.217 28.794 28.738 -0.268 0.000 0.911 176 Q HN 0.422 nan 8.270 nan 0.000 0.438 177 S N -0.749 114.784 115.700 -0.278 0.000 2.475 177 S HA -0.013 4.457 4.470 0.000 0.000 0.224 177 S C 2.026 176.541 174.600 -0.141 0.000 1.042 177 S CA 0.514 58.587 58.200 -0.212 0.000 0.935 177 S CB 0.034 63.085 63.200 -0.249 0.000 0.801 177 S HN 0.324 nan 8.310 nan 0.000 0.509 178 S N 0.901 116.520 115.700 -0.134 0.000 2.458 178 S HA 0.423 4.893 4.470 0.000 0.000 0.223 178 S C 1.807 176.364 174.600 -0.071 0.000 1.019 178 S CA 0.624 58.771 58.200 -0.089 0.000 0.937 178 S CB -0.717 62.436 63.200 -0.078 0.000 0.788 178 S HN 1.454 nan 8.310 nan 0.000 0.511 179 G N 0.816 109.569 108.800 -0.078 0.000 2.148 179 G HA2 -0.282 3.678 3.960 0.000 0.000 0.254 179 G HA3 -0.282 3.678 3.960 0.000 0.000 0.254 179 G C -0.115 174.757 174.900 -0.046 0.000 0.981 179 G CA 0.571 45.635 45.100 -0.060 0.000 0.670 179 G HN 0.792 nan 8.290 nan 0.000 0.528 180 K N -0.287 120.087 120.400 -0.043 0.000 2.426 180 K HA 0.654 4.974 4.320 0.000 0.000 0.251 180 K C 0.991 177.580 176.600 -0.019 0.000 0.941 180 K CA -0.082 56.189 56.287 -0.027 0.000 0.808 180 K CB 1.243 33.728 32.500 -0.025 0.000 1.265 180 K HN 0.341 nan 8.250 nan 0.000 0.432 181 G N 1.130 109.928 108.800 -0.003 0.000 2.509 181 G HA2 0.485 4.445 3.960 0.000 0.000 0.269 181 G HA3 0.485 4.445 3.960 0.000 0.000 0.269 181 G C -0.932 173.981 174.900 0.022 0.000 1.416 181 G CA -0.011 45.098 45.100 0.014 0.000 1.052 181 G HN 0.717 nan 8.290 nan 0.000 0.542 182 Q N -3.502 116.324 119.800 0.043 0.000 2.944 182 Q HA 0.389 4.730 4.340 0.000 0.000 0.328 182 Q C -2.038 174.005 176.000 0.072 0.000 0.810 182 Q CA -0.876 54.951 55.803 0.040 0.000 0.847 182 Q CB 0.994 29.747 28.738 0.026 0.000 1.408 182 Q HN 0.471 nan 8.270 nan 0.000 0.484 183 V N 1.252 121.197 119.914 0.052 0.000 2.394 183 V HA 0.440 4.560 4.120 0.000 0.000 0.282 183 V C -0.376 175.766 176.094 0.080 0.000 1.031 183 V CA -0.701 61.646 62.300 0.078 0.000 0.881 183 V CB 1.425 33.248 31.823 -0.000 0.000 0.982 183 V HN 0.510 nan 8.190 nan 0.000 0.451 184 V N 3.937 123.918 119.914 0.111 0.000 2.348 184 V HA 0.259 4.379 4.120 0.000 0.000 0.270 184 V C -0.109 176.034 176.094 0.083 0.000 1.037 184 V CA -0.330 62.023 62.300 0.088 0.000 0.872 184 V CB 1.451 33.326 31.823 0.087 0.000 1.002 184 V HN 0.954 nan 8.190 nan 0.000 0.464 185 D N 5.224 125.658 120.400 0.057 0.000 2.428 185 D HA 0.470 5.110 4.640 0.000 0.000 0.221 185 D C 0.051 176.366 176.300 0.024 0.000 1.123 185 D CA -0.197 53.827 54.000 0.040 0.000 0.869 185 D CB 1.285 42.100 40.800 0.025 0.000 1.032 185 D HN 0.616 nan 8.370 nan 0.000 0.506 186 A N 3.346 126.177 122.820 0.019 0.000 2.322 186 A HA 0.685 5.005 4.320 0.000 0.000 0.327 186 A C -0.159 177.390 177.584 -0.058 0.000 1.394 186 A CA -0.645 51.394 52.037 0.004 0.000 0.921 186 A CB 0.558 19.584 19.000 0.043 0.000 1.153 186 A HN 0.610 nan 8.150 nan 0.000 0.523 187 A N 3.123 125.887 122.820 -0.094 0.000 2.276 187 A HA 0.575 4.896 4.320 0.000 0.000 0.316 187 A C 0.963 178.413 177.584 -0.223 0.000 1.229 187 A CA -0.624 51.315 52.037 -0.164 0.000 0.851 187 A CB 0.178 19.115 19.000 -0.105 0.000 1.165 187 A HN 0.859 nan 8.150 nan 0.000 0.513 188 M N 2.729 122.126 119.600 -0.339 0.000 2.279 188 M HA -0.118 4.363 4.480 0.000 0.000 0.264 188 M C 1.807 177.972 176.300 -0.224 0.000 1.062 188 M CA 1.261 56.383 55.300 -0.297 0.000 1.099 188 M CB -0.457 31.920 32.600 -0.373 0.000 1.394 188 M HN 0.600 nan 8.290 nan 0.000 0.426 189 V N 1.011 120.794 119.914 -0.218 0.000 2.407 189 V HA -0.252 3.868 4.120 0.000 0.000 0.248 189 V C 1.680 177.737 176.094 -0.061 0.000 1.055 189 V CA 2.166 64.441 62.300 -0.042 0.000 1.049 189 V CB -0.316 31.590 31.823 0.138 0.000 0.662 189 V HN 0.416 nan 8.190 nan 0.000 0.455 190 D N 0.194 120.516 120.400 -0.130 0.000 2.106 190 D HA -0.022 4.618 4.640 0.000 0.000 0.203 190 D C 2.110 178.193 176.300 -0.362 0.000 0.977 190 D CA 1.524 55.411 54.000 -0.188 0.000 0.844 190 D CB -0.969 39.729 40.800 -0.170 0.000 1.002 190 D HN 0.496 nan 8.370 nan 0.000 0.461 191 G N 1.142 109.626 108.800 -0.526 0.000 2.491 191 G HA2 -0.308 3.652 3.960 0.000 0.000 0.218 191 G HA3 -0.308 3.652 3.960 0.000 0.000 0.218 191 G C 1.768 176.246 174.900 -0.703 0.000 1.180 191 G CA 2.211 46.616 45.100 -1.159 0.000 0.774 191 G HN 0.409 nan 8.290 nan 0.000 0.562 192 S N 0.622 116.166 115.700 -0.260 0.000 2.383 192 S HA -0.126 4.345 4.470 0.000 0.000 0.229 192 S C 2.439 177.039 174.600 -0.000 0.000 1.030 192 S CA 1.795 59.963 58.200 -0.053 0.000 1.002 192 S CB -0.507 62.698 63.200 0.009 0.000 0.829 192 S HN 0.277 nan 8.310 nan 0.000 0.467 193 S N 1.565 117.252 115.700 -0.022 0.000 2.359 193 S HA -0.046 4.424 4.470 0.000 0.000 0.224 193 S C 1.965 176.596 174.600 0.052 0.000 1.035 193 S CA 1.351 59.599 58.200 0.079 0.000 1.018 193 S CB -0.642 62.544 63.200 -0.023 0.000 0.876 193 S HN 0.441 nan 8.310 nan 0.000 0.448 194 V N 1.514 121.367 119.914 -0.101 0.000 2.515 194 V HA -0.074 4.046 4.120 0.000 0.000 0.250 194 V C 2.167 178.349 176.094 0.147 0.000 1.058 194 V CA 1.129 63.420 62.300 -0.016 0.000 1.064 194 V CB -0.588 31.174 31.823 -0.102 0.000 0.675 194 V HN 0.320 nan 8.190 nan 0.000 0.461 195 L N -0.526 120.795 121.223 0.163 0.000 2.131 195 L HA -0.029 4.311 4.340 0.000 0.000 0.210 195 L C 1.788 178.739 176.870 0.135 0.000 1.092 195 L CA 1.828 56.813 54.840 0.241 0.000 0.759 195 L CB -0.200 42.018 42.059 0.265 0.000 0.903 195 L HN 0.303 nan 8.230 nan 0.000 0.435 196 I N -1.103 119.542 120.570 0.126 0.000 3.889 196 I HA -0.002 4.168 4.170 0.000 0.000 0.332 196 I C 1.743 177.941 176.117 0.135 0.000 1.493 196 I CA -0.008 61.333 61.300 0.067 0.000 1.158 196 I CB -0.189 37.827 38.000 0.027 0.000 1.117 196 I HN 0.330 nan 8.210 nan 0.000 0.411 197 Q N 0.968 120.877 119.800 0.181 0.000 2.197 197 Q HA -0.269 4.071 4.340 0.000 0.000 0.207 197 Q C 1.952 178.029 176.000 0.128 0.000 0.984 197 Q CA 1.972 57.904 55.803 0.216 0.000 0.869 197 Q CB -0.118 28.695 28.738 0.125 0.000 0.906 197 Q HN 0.654 nan 8.270 nan 0.000 0.426 198 M N -0.634 118.971 119.600 0.009 0.000 2.108 198 M HA -0.227 4.253 4.480 0.000 0.000 0.261 198 M C 1.882 178.070 176.300 -0.186 0.000 1.066 198 M CA 1.520 56.776 55.300 -0.074 0.000 1.107 198 M CB 0.033 32.566 32.600 -0.111 0.000 1.356 198 M HN 0.201 nan 8.290 nan 0.000 0.406 199 M N -1.009 118.368 119.600 -0.371 0.000 2.159 199 M HA -0.158 4.322 4.480 0.000 0.000 0.263 199 M C 1.423 177.505 176.300 -0.363 0.000 1.063 199 M CA 2.002 56.905 55.300 -0.662 0.000 1.110 199 M CB -0.672 31.306 32.600 -1.036 0.000 1.374 199 M HN 0.375 nan 8.290 nan 0.000 0.411 200 W N -0.457 120.767 121.300 -0.125 0.000 2.388 200 W HA -0.038 4.622 4.660 0.000 0.000 0.294 200 W C 2.539 179.047 176.519 -0.018 0.000 1.212 200 W CA 1.085 58.405 57.345 -0.042 0.000 1.271 200 W CB -0.634 28.807 29.460 -0.031 0.000 1.126 200 W HN 0.200 nan 8.180 nan 0.000 0.535 201 A N -0.146 122.783 122.820 0.180 0.000 1.898 201 A HA -0.186 4.134 4.320 0.000 0.000 0.216 201 A C 1.920 179.554 177.584 0.084 0.000 1.181 201 A CA 1.717 53.820 52.037 0.110 0.000 0.620 201 A CB -0.729 18.313 19.000 0.069 0.000 0.819 201 A HN 0.269 nan 8.150 nan 0.000 0.442 202 M N -1.758 117.872 119.600 0.050 0.000 2.254 202 M HA -0.038 4.442 4.480 0.000 0.000 0.265 202 M C 2.348 178.735 176.300 0.146 0.000 1.066 202 M CA 1.168 56.523 55.300 0.090 0.000 1.123 202 M CB -0.169 32.488 32.600 0.095 0.000 1.388 202 M HN 0.390 nan 8.290 nan 0.000 0.425 203 R N 0.386 120.973 120.500 0.145 0.000 2.120 203 R HA -0.095 4.246 4.340 0.000 0.000 0.234 203 R C 2.094 178.467 176.300 0.122 0.000 1.123 203 R CA 1.458 57.651 56.100 0.155 0.000 0.975 203 R CB -0.192 30.176 30.300 0.114 0.000 0.866 203 R HN 0.361 nan 8.270 nan 0.000 0.446 204 A N -0.253 122.643 122.820 0.126 0.000 2.067 204 A HA -0.105 4.215 4.320 0.000 0.000 0.219 204 A C 1.713 179.343 177.584 0.076 0.000 1.158 204 A CA 1.729 53.828 52.037 0.103 0.000 0.661 204 A CB -0.279 18.785 19.000 0.106 0.000 0.801 204 A HN 0.509 nan 8.150 nan 0.000 0.452 205 T N -5.244 109.356 114.554 0.076 0.000 3.174 205 T HA 0.450 4.800 4.350 0.000 0.000 0.269 205 T C 1.139 175.872 174.700 0.055 0.000 1.017 205 T CA 0.880 63.015 62.100 0.059 0.000 0.899 205 T CB 0.097 68.998 68.868 0.055 0.000 1.077 205 T HN 1.597 nan 8.240 nan 0.000 0.552 206 G N 1.799 110.636 108.800 0.062 0.000 2.155 206 G HA2 -0.302 3.658 3.960 0.000 0.000 0.257 206 G HA3 -0.302 3.658 3.960 0.000 0.000 0.257 206 G C 0.577 175.511 174.900 0.057 0.000 0.983 206 G CA 0.540 45.668 45.100 0.046 0.000 0.676 206 G HN 0.560 nan 8.290 nan 0.000 0.528 207 M N -1.151 118.512 119.600 0.104 0.000 2.428 207 M HA 0.333 4.813 4.480 0.000 0.000 0.239 207 M C 0.598 177.057 176.300 0.265 0.000 1.121 207 M CA 0.205 55.589 55.300 0.141 0.000 1.019 207 M CB 0.469 33.149 32.600 0.134 0.000 1.485 207 M HN 0.364 nan 8.290 nan 0.000 0.484 208 W N 0.789 122.076 121.300 -0.023 0.000 3.129 208 W HA 0.368 5.028 4.660 0.000 0.000 0.333 208 W C -1.110 175.383 176.519 -0.043 0.000 1.141 208 W CA -0.623 56.699 57.345 -0.039 0.000 1.224 208 W CB 1.740 31.162 29.460 -0.064 0.000 1.393 208 W HN -0.096 nan 8.180 nan 0.000 0.499 209 T N 0.182 114.437 114.554 -0.498 0.000 2.932 209 T HA 0.250 4.600 4.350 0.000 0.000 0.289 209 T C 0.245 174.786 174.700 -0.265 0.000 1.039 209 T CA -0.433 61.502 62.100 -0.275 0.000 1.024 209 T CB 1.991 70.726 68.868 -0.223 0.000 1.090 209 T HN 0.279 nan 8.240 nan 0.000 0.496 210 D N 0.983 121.330 120.400 -0.088 0.000 2.371 210 D HA 0.088 4.729 4.640 0.000 0.000 0.221 210 D C 0.480 176.803 176.300 0.037 0.000 0.986 210 D CA 0.641 54.636 54.000 -0.007 0.000 0.899 210 D CB -0.308 40.480 40.800 -0.019 0.000 0.902 210 D HN 0.603 nan 8.370 nan 0.000 0.530 211 T N 1.261 115.779 114.554 -0.059 0.000 2.834 211 T HA 0.065 4.415 4.350 0.000 0.000 0.298 211 T C 0.587 175.235 174.700 -0.086 0.000 0.966 211 T CA -0.364 61.706 62.100 -0.049 0.000 1.141 211 T CB 1.184 70.005 68.868 -0.079 0.000 0.905 211 T HN -0.004 nan 8.240 nan 0.000 0.535 212 R N 2.139 122.601 120.500 -0.063 0.000 2.442 212 R HA 0.376 4.716 4.340 0.000 0.000 0.291 212 R C 1.215 177.459 176.300 -0.092 0.000 1.069 212 R CA 0.794 56.842 56.100 -0.087 0.000 1.022 212 R CB -0.034 30.177 30.300 -0.149 0.000 0.976 212 R HN 0.977 nan 8.270 nan 0.000 0.443 213 G N 2.389 111.135 108.800 -0.090 0.000 2.198 213 G HA2 -0.303 3.657 3.960 0.000 0.000 0.260 213 G HA3 -0.303 3.657 3.960 0.000 0.000 0.260 213 G C 0.188 175.034 174.900 -0.090 0.000 1.025 213 G CA 0.320 45.369 45.100 -0.085 0.000 0.769 213 G HN 0.784 nan 8.290 nan 0.000 0.507 214 A N -0.634 122.106 122.820 -0.132 0.000 2.616 214 A HA 0.594 4.914 4.320 0.000 0.000 0.294 214 A C 0.622 178.118 177.584 -0.147 0.000 1.091 214 A CA 0.018 52.003 52.037 -0.087 0.000 0.971 214 A CB 0.347 19.290 19.000 -0.096 0.000 1.222 214 A HN 0.331 nan 8.150 nan 0.000 0.521 215 N N -1.228 117.318 118.700 -0.257 0.000 2.701 215 N HA 0.320 5.060 4.740 0.000 0.000 0.290 215 N C 0.690 176.114 175.510 -0.143 0.000 1.338 215 N CA -0.618 52.174 53.050 -0.429 0.000 0.799 215 N CB 1.110 38.740 38.487 -1.428 0.000 1.491 215 N HN 0.226 nan 8.380 nan 0.000 0.540 216 M N 0.266 119.854 119.600 -0.020 0.000 2.254 216 M HA 0.087 4.567 4.480 0.000 0.000 0.265 216 M C 0.390 176.626 176.300 -0.106 0.000 1.066 216 M CA 1.714 57.041 55.300 0.045 0.000 1.123 216 M CB 0.154 32.858 32.600 0.173 0.000 1.388 216 M HN 0.393 nan 8.290 nan 0.000 0.425 217 L N -0.341 120.910 121.223 0.047 0.000 3.016 217 L HA 0.172 4.512 4.340 0.000 0.000 0.267 217 L C 0.379 177.331 176.870 0.136 0.000 1.182 217 L CA -0.324 54.421 54.840 -0.159 0.000 0.997 217 L CB 0.210 42.164 42.059 -0.175 0.000 1.354 217 L HN 0.242 nan 8.230 nan 0.000 0.569 218 D N -1.016 119.486 120.400 0.169 0.000 2.398 218 D HA 0.177 4.817 4.640 0.000 0.000 0.210 218 D C 1.367 177.691 176.300 0.039 0.000 1.094 218 D CA 0.585 54.671 54.000 0.144 0.000 0.839 218 D CB 0.797 41.688 40.800 0.151 0.000 0.963 218 D HN 0.118 nan 8.370 nan 0.000 0.506 219 G N -0.526 108.280 108.800 0.010 0.000 2.184 219 G HA2 -0.193 3.768 3.960 0.000 0.000 0.206 219 G HA3 -0.193 3.768 3.960 0.000 0.000 0.206 219 G C 1.196 175.994 174.900 -0.169 0.000 0.995 219 G CA 0.097 45.148 45.100 -0.082 0.000 0.651 219 G HN 0.604 nan 8.290 nan 0.000 0.511 220 G N 0.346 109.044 108.800 -0.169 0.000 2.511 220 G HA2 0.465 4.425 3.960 0.000 0.000 0.217 220 G HA3 0.465 4.425 3.960 0.000 0.000 0.217 220 G C 0.912 175.485 174.900 -0.544 0.000 1.133 220 G CA 1.402 46.390 45.100 -0.188 0.000 0.792 220 G HN 1.688 nan 8.290 nan 0.000 0.539 221 A N 0.536 122.884 122.820 -0.787 0.000 2.289 221 A HA 0.641 4.961 4.320 0.000 0.000 0.298 221 A C -1.253 175.712 177.584 -1.032 0.000 1.208 221 A CA -1.282 49.818 52.037 -1.563 0.000 0.845 221 A CB 1.363 19.466 19.000 -1.494 0.000 1.125 221 A HN 0.022 nan 8.150 nan 0.000 0.517 222 P HA -0.143 nan 4.420 nan 0.000 0.225 222 P C 0.443 177.738 177.300 -0.007 0.000 1.148 222 P CA 1.371 64.282 63.100 -0.316 0.000 0.779 222 P CB -0.092 31.506 31.700 -0.171 0.000 0.780 223 Y N -4.783 115.503 120.300 -0.024 0.000 2.457 223 Y HA 0.332 4.882 4.550 0.000 0.000 0.263 223 Y C 0.257 176.240 175.900 0.139 0.000 1.164 223 Y CA -0.832 57.353 58.100 0.142 0.000 1.274 223 Y CB -0.827 37.760 38.460 0.212 0.000 1.097 223 Y HN -0.123 nan 8.280 nan 0.000 0.523 224 Y N 1.711 121.863 120.300 -0.247 0.000 2.535 224 Y HA 0.496 5.046 4.550 0.000 0.000 0.351 224 Y C -1.338 174.450 175.900 -0.186 0.000 1.050 224 Y CA -1.113 56.898 58.100 -0.147 0.000 1.168 224 Y CB 0.290 38.659 38.460 -0.151 0.000 1.116 224 Y HN 0.225 nan 8.280 nan 0.000 0.654 225 D N 0.288 120.559 120.400 -0.216 0.000 2.764 225 D HA 0.217 4.857 4.640 0.000 0.000 0.293 225 D C -0.862 175.265 176.300 -0.289 0.000 1.287 225 D CA -0.144 53.698 54.000 -0.264 0.000 0.768 225 D CB 1.599 42.197 40.800 -0.337 0.000 1.288 225 D HN 0.234 nan 8.370 nan 0.000 0.426 226 T N -1.282 113.071 114.554 -0.336 0.000 2.918 226 T HA 0.725 5.075 4.350 0.000 0.000 0.283 226 T C -0.718 173.736 174.700 -0.410 0.000 1.001 226 T CA -0.142 61.797 62.100 -0.269 0.000 1.041 226 T CB 0.743 69.475 68.868 -0.228 0.000 1.028 226 T HN 0.275 nan 8.240 nan 0.000 0.511 227 Y N -0.423 119.752 120.300 -0.208 0.000 2.477 227 Y HA 0.469 5.019 4.550 0.000 0.000 0.347 227 Y C 0.252 176.159 175.900 0.013 0.000 0.981 227 Y CA -1.116 56.890 58.100 -0.157 0.000 1.033 227 Y CB 2.086 40.290 38.460 -0.427 0.000 1.245 227 Y HN 0.850 nan 8.280 nan 0.000 0.455 228 E N 1.872 122.219 120.200 0.246 0.000 2.313 228 E HA 0.438 4.788 4.350 0.000 0.000 0.276 228 E C -0.879 175.796 176.600 0.124 0.000 1.031 228 E CA -0.280 56.195 56.400 0.126 0.000 0.857 228 E CB 0.663 30.433 29.700 0.117 0.000 1.040 228 E HN 0.704 nan 8.360 nan 0.000 0.408 229 C N 2.296 121.625 119.300 0.047 0.000 2.548 229 C HA 0.503 4.963 4.460 0.000 0.000 0.412 229 C C 1.843 176.902 174.990 0.114 0.000 1.588 229 C CA -0.008 59.130 59.018 0.201 0.000 1.861 229 C CB 0.723 28.622 27.740 0.265 0.000 1.983 229 C HN 0.996 nan 8.230 nan 0.000 0.497 230 A N 0.976 123.879 122.820 0.139 0.000 1.978 230 A HA -0.156 4.164 4.320 0.000 0.000 0.220 230 A C 1.441 179.027 177.584 0.004 0.000 1.170 230 A CA 2.361 54.428 52.037 0.051 0.000 0.636 230 A CB -0.566 18.442 19.000 0.014 0.000 0.810 230 A HN 0.951 nan 8.150 nan 0.000 0.448 231 D N -2.469 117.926 120.400 -0.008 0.000 2.342 231 D HA 0.299 4.939 4.640 0.000 0.000 0.221 231 D C 1.106 177.357 176.300 -0.083 0.000 1.101 231 D CA 0.710 54.688 54.000 -0.037 0.000 0.837 231 D CB -0.587 40.196 40.800 -0.027 0.000 0.938 231 D HN 0.734 nan 8.370 nan 0.000 0.508 232 G N 0.440 109.165 108.800 -0.124 0.000 2.179 232 G HA2 -0.334 3.626 3.960 0.000 0.000 0.260 232 G HA3 -0.334 3.626 3.960 0.000 0.000 0.260 232 G C 0.422 175.034 174.900 -0.480 0.000 0.977 232 G CA 0.122 45.094 45.100 -0.213 0.000 0.641 232 G HN 0.464 nan 8.290 nan 0.000 0.533 233 R N -1.195 119.044 120.500 -0.435 0.000 2.606 233 R HA 0.708 5.048 4.340 0.000 0.000 0.249 233 R C -0.452 175.394 176.300 -0.757 0.000 1.127 233 R CA -0.552 55.206 56.100 -0.570 0.000 1.133 233 R CB 0.566 30.756 30.300 -0.183 0.000 1.243 233 R HN 0.263 nan 8.270 nan 0.000 0.558 234 Y N -0.785 119.521 120.300 0.009 0.000 2.536 234 Y HA 0.458 5.008 4.550 0.000 0.000 0.347 234 Y C -0.171 175.704 175.900 -0.040 0.000 1.000 234 Y CA -1.244 56.841 58.100 -0.025 0.000 1.051 234 Y CB 1.663 40.079 38.460 -0.072 0.000 1.259 234 Y HN 0.232 nan 8.280 nan 0.000 0.468 235 V N -0.675 119.262 119.914 0.038 0.000 2.815 235 V HA 1.007 5.127 4.120 0.000 0.000 0.314 235 V C -0.347 175.657 176.094 -0.149 0.000 1.064 235 V CA -1.167 61.086 62.300 -0.079 0.000 0.952 235 V CB 1.376 33.082 31.823 -0.194 0.000 1.020 235 V HN 0.976 nan 8.190 nan 0.000 0.439 236 A N 3.132 125.856 122.820 -0.160 0.000 2.292 236 A HA 0.821 5.141 4.320 0.000 0.000 0.319 236 A C -0.469 176.972 177.584 -0.238 0.000 1.206 236 A CA -0.629 51.288 52.037 -0.201 0.000 0.835 236 A CB 1.256 20.138 19.000 -0.197 0.000 1.164 236 A HN 1.227 nan 8.150 nan 0.000 0.505 237 V N 1.847 121.629 119.914 -0.221 0.000 2.459 237 V HA 0.650 4.770 4.120 0.000 0.000 0.295 237 V C 0.904 176.876 176.094 -0.204 0.000 1.029 237 V CA 0.324 62.518 62.300 -0.176 0.000 0.874 237 V CB 1.758 33.545 31.823 -0.060 0.000 0.985 237 V HN 1.163 nan 8.190 nan 0.000 0.438 238 G N 2.925 111.644 108.800 -0.135 0.000 4.543 238 G HA2 0.462 4.422 3.960 0.000 0.000 0.286 238 G HA3 0.462 4.422 3.960 0.000 0.000 0.286 238 G C 0.314 175.346 174.900 0.220 0.000 1.112 238 G CA 0.433 45.495 45.100 -0.063 0.000 0.870 238 G HN 0.914 nan 8.290 nan 0.000 0.540 239 A N 0.935 123.923 122.820 0.280 0.000 3.126 239 A HA 0.564 4.884 4.320 0.000 0.000 0.268 239 A C 1.364 179.126 177.584 0.298 0.000 1.605 239 A CA -0.429 51.798 52.037 0.317 0.000 1.305 239 A CB -0.480 18.676 19.000 0.259 0.000 1.160 239 A HN 0.391 nan 8.150 nan 0.000 0.609 240 I N -0.176 120.587 120.570 0.322 0.000 2.110 240 I HA -0.141 4.029 4.170 0.000 0.000 0.236 240 I C 0.776 176.836 176.117 -0.095 0.000 1.068 240 I CA 0.713 62.082 61.300 0.115 0.000 1.333 240 I CB -0.347 37.817 38.000 0.274 0.000 1.054 240 I HN 0.453 nan 8.210 nan 0.000 0.402 241 E N 2.274 122.477 120.200 0.006 0.000 2.413 241 E HA -0.024 4.326 4.350 0.000 0.000 0.263 241 E C -1.561 174.928 176.600 -0.184 0.000 1.015 241 E CA -0.974 55.314 56.400 -0.188 0.000 0.916 241 E CB 0.077 29.501 29.700 -0.461 0.000 0.947 241 E HN 0.142 nan 8.360 nan 0.000 0.440 242 P HA -0.259 nan 4.420 nan 0.000 0.218 242 P C 1.011 178.308 177.300 -0.006 0.000 1.148 242 P CA 1.393 64.452 63.100 -0.068 0.000 0.822 242 P CB 0.231 31.883 31.700 -0.080 0.000 0.784 243 Q N -1.266 118.453 119.800 -0.135 0.000 2.311 243 Q HA -0.080 4.260 4.340 0.000 0.000 0.203 243 Q C 1.702 177.778 176.000 0.126 0.000 0.954 243 Q CA 1.125 56.895 55.803 -0.055 0.000 0.885 243 Q CB -0.783 27.879 28.738 -0.126 0.000 0.963 243 Q HN 0.147 nan 8.270 nan 0.000 0.471 244 F N 0.409 120.390 119.950 0.052 0.000 2.179 244 F HA -0.001 4.526 4.527 0.000 0.000 0.292 244 F C 2.360 178.186 175.800 0.043 0.000 1.089 244 F CA -0.058 57.967 58.000 0.041 0.000 1.295 244 F CB -1.466 37.559 39.000 0.041 0.000 1.041 244 F HN 0.056 nan 8.300 nan 0.000 0.487 245 Y N 1.099 121.476 120.300 0.127 0.000 2.193 245 Y HA -0.233 4.317 4.550 0.000 0.000 0.285 245 Y C 2.363 178.285 175.900 0.037 0.000 1.166 245 Y CA 1.623 59.742 58.100 0.032 0.000 1.181 245 Y CB -0.527 37.891 38.460 -0.070 0.000 0.976 245 Y HN -0.010 nan 8.280 nan 0.000 0.520 246 A N 0.119 122.977 122.820 0.065 0.000 1.897 246 A HA -0.019 4.301 4.320 0.000 0.000 0.215 246 A C 2.413 179.991 177.584 -0.011 0.000 1.181 246 A CA 1.546 53.578 52.037 -0.007 0.000 0.620 246 A CB -1.411 17.624 19.000 0.059 0.000 0.821 246 A HN 0.576 nan 8.150 nan 0.000 0.443 247 A N -0.821 122.038 122.820 0.066 0.000 1.933 247 A HA -0.122 4.198 4.320 0.000 0.000 0.218 247 A C 2.198 179.855 177.584 0.121 0.000 1.175 247 A CA 1.858 53.958 52.037 0.104 0.000 0.628 247 A CB -0.515 18.576 19.000 0.152 0.000 0.814 247 A HN 0.497 nan 8.150 nan 0.000 0.444 248 M N -0.044 119.558 119.600 0.003 0.000 2.065 248 M HA -0.113 4.367 4.480 0.000 0.000 0.259 248 M C 2.004 178.269 176.300 -0.057 0.000 1.069 248 M CA 1.787 57.021 55.300 -0.111 0.000 1.110 248 M CB -0.780 31.664 32.600 -0.260 0.000 1.328 248 M HN 0.453 nan 8.290 nan 0.000 0.405 249 L N -0.156 120.934 121.223 -0.222 0.000 2.131 249 L HA -0.162 4.178 4.340 0.000 0.000 0.210 249 L C 2.668 179.498 176.870 -0.066 0.000 1.092 249 L CA 0.979 55.695 54.840 -0.206 0.000 0.759 249 L CB -1.094 40.794 42.059 -0.284 0.000 0.903 249 L HN 0.343 nan 8.230 nan 0.000 0.435 250 A N 0.672 123.489 122.820 -0.006 0.000 1.858 250 A HA -0.111 4.209 4.320 0.000 0.000 0.216 250 A C 2.446 180.045 177.584 0.025 0.000 1.190 250 A CA 1.688 53.735 52.037 0.016 0.000 0.617 250 A CB -1.283 17.737 19.000 0.032 0.000 0.827 250 A HN 0.409 nan 8.150 nan 0.000 0.443 251 G N -0.333 108.530 108.800 0.105 0.000 2.442 251 G HA2 -0.170 3.790 3.960 0.000 0.000 0.219 251 G HA3 -0.170 3.790 3.960 0.000 0.000 0.219 251 G C 1.416 176.292 174.900 -0.040 0.000 1.141 251 G CA 1.041 46.081 45.100 -0.099 0.000 0.763 251 G HN 0.435 nan 8.290 nan 0.000 0.554 252 L N 0.322 121.580 121.223 0.058 0.000 2.554 252 L HA 0.194 4.534 4.340 0.000 0.000 0.226 252 L C 1.980 178.844 176.870 -0.010 0.000 1.137 252 L CA 0.454 55.257 54.840 -0.061 0.000 0.863 252 L CB -0.285 41.576 42.059 -0.330 0.000 0.985 252 L HN 0.400 nan 8.230 nan 0.000 0.451 253 G N 1.143 109.939 108.800 -0.006 0.000 2.198 253 G HA2 -0.273 3.687 3.960 0.000 0.000 0.257 253 G HA3 -0.273 3.687 3.960 0.000 0.000 0.257 253 G C -0.010 174.879 174.900 -0.018 0.000 1.042 253 G CA -0.148 44.951 45.100 -0.001 0.000 0.791 253 G HN 0.237 nan 8.290 nan 0.000 0.502 254 L N 0.510 121.706 121.223 -0.044 0.000 2.275 254 L HA 0.372 4.712 4.340 0.000 0.000 0.288 254 L C 0.072 176.923 176.870 -0.031 0.000 1.046 254 L CA -0.953 53.858 54.840 -0.049 0.000 0.805 254 L CB 1.355 43.360 42.059 -0.090 0.000 1.193 254 L HN 0.101 nan 8.230 nan 0.000 0.426 255 D N 2.512 122.904 120.400 -0.012 0.000 2.338 255 D HA 0.152 4.792 4.640 0.000 0.000 0.255 255 D C 0.840 177.146 176.300 0.010 0.000 1.237 255 D CA 0.051 54.051 54.000 0.000 0.000 0.883 255 D CB 1.860 42.663 40.800 0.006 0.000 1.087 255 D HN 0.620 nan 8.370 nan 0.000 0.485 256 A N 4.071 126.900 122.820 0.016 0.000 2.024 256 A HA -0.096 4.224 4.320 0.000 0.000 0.220 256 A C 2.031 179.648 177.584 0.054 0.000 1.164 256 A CA 1.681 53.744 52.037 0.044 0.000 0.643 256 A CB -0.363 18.671 19.000 0.056 0.000 0.806 256 A HN 0.632 nan 8.150 nan 0.000 0.451 257 A N -1.154 121.689 122.820 0.038 0.000 2.172 257 A HA -0.027 4.293 4.320 0.000 0.000 0.216 257 A C 1.722 179.327 177.584 0.035 0.000 1.154 257 A CA 1.249 53.307 52.037 0.035 0.000 0.701 257 A CB -0.163 18.852 19.000 0.025 0.000 0.789 257 A HN 0.386 nan 8.150 nan 0.000 0.465 258 E N -0.571 119.649 120.200 0.034 0.000 2.463 258 E HA 0.209 4.559 4.350 0.000 0.000 0.193 258 E C -0.280 176.347 176.600 0.045 0.000 1.041 258 E CA 0.033 56.453 56.400 0.033 0.000 0.879 258 E CB 0.188 29.902 29.700 0.023 0.000 0.997 258 E HN 0.384 nan 8.360 nan 0.000 0.478 259 L N 1.470 122.729 121.223 0.061 0.000 2.322 259 L HA 0.429 4.769 4.340 0.000 0.000 0.269 259 L C -2.171 174.759 176.870 0.099 0.000 1.012 259 L CA -1.807 53.085 54.840 0.088 0.000 0.815 259 L CB 1.202 43.330 42.059 0.116 0.000 1.295 259 L HN -0.179 nan 8.230 nan 0.000 0.438 260 P HA 0.276 nan 4.420 nan 0.000 0.274 260 P C -2.534 174.848 177.300 0.137 0.000 1.237 260 P CA -1.286 61.883 63.100 0.115 0.000 0.793 260 P CB -0.392 31.388 31.700 0.132 0.000 0.977 261 P HA -0.015 nan 4.420 nan 0.000 0.267 261 P C 0.997 178.357 177.300 0.101 0.000 1.200 261 P CA 0.035 63.185 63.100 0.083 0.000 0.772 261 P CB 0.376 32.098 31.700 0.038 0.000 0.855 262 Q N 2.024 121.817 119.800 -0.012 0.000 2.152 262 Q HA -0.229 4.111 4.340 0.000 0.000 0.206 262 Q C 0.224 176.323 176.000 0.166 0.000 0.985 262 Q CA 1.862 57.542 55.803 -0.205 0.000 0.863 262 Q CB -0.162 28.043 28.738 -0.888 0.000 0.904 262 Q HN 0.489 nan 8.270 nan 0.000 0.422 263 N N 0.771 119.531 118.700 0.100 0.000 2.328 263 N HA 0.036 4.776 4.740 0.000 0.000 0.247 263 N C -1.317 174.153 175.510 -0.066 0.000 1.165 263 N CA -0.173 52.963 53.050 0.144 0.000 0.873 263 N CB 0.652 39.178 38.487 0.066 0.000 1.125 263 N HN 0.087 nan 8.380 nan 0.000 0.513 264 D N 1.242 121.615 120.400 -0.046 0.000 2.402 264 D HA 0.098 4.738 4.640 0.000 0.000 0.235 264 D C 0.967 177.047 176.300 -0.367 0.000 1.226 264 D CA -0.020 53.894 54.000 -0.144 0.000 0.918 264 D CB 0.430 41.208 40.800 -0.037 0.000 1.043 264 D HN 0.145 nan 8.370 nan 0.000 0.506 265 R N 2.572 122.668 120.500 -0.674 0.000 2.152 265 R HA -0.112 4.228 4.340 0.000 0.000 0.232 265 R C 1.826 177.855 176.300 -0.452 0.000 1.117 265 R CA 1.092 56.539 56.100 -1.089 0.000 0.981 265 R CB -0.066 29.611 30.300 -1.038 0.000 0.870 265 R HN 0.431 nan 8.270 nan 0.000 0.451 266 A N 1.178 123.847 122.820 -0.251 0.000 2.019 266 A HA -0.134 4.186 4.320 0.000 0.000 0.219 266 A C 1.654 179.225 177.584 -0.022 0.000 1.164 266 A CA 1.133 53.105 52.037 -0.109 0.000 0.644 266 A CB -0.087 18.863 19.000 -0.084 0.000 0.805 266 A HN 0.222 nan 8.150 nan 0.000 0.449 267 R N -2.464 118.043 120.500 0.011 0.000 2.613 267 R HA 0.084 4.424 4.340 0.000 0.000 0.361 267 R C 0.690 177.134 176.300 0.240 0.000 1.072 267 R CA -0.466 55.696 56.100 0.102 0.000 1.089 267 R CB 0.066 30.417 30.300 0.085 0.000 1.343 267 R HN 0.578 nan 8.270 nan 0.000 0.571 268 W N 1.704 123.020 121.300 0.028 0.000 2.358 268 W HA 0.014 4.674 4.660 0.000 0.000 0.303 268 W C -1.013 175.532 176.519 0.044 0.000 1.208 268 W CA 0.759 58.126 57.345 0.037 0.000 1.274 268 W CB -1.429 28.036 29.460 0.007 0.000 1.138 268 W HN 0.068 nan 8.180 nan 0.000 0.515 269 P HA -0.195 nan 4.420 nan 0.000 0.215 269 P C 1.422 178.796 177.300 0.124 0.000 1.157 269 P CA 2.239 65.424 63.100 0.141 0.000 0.868 269 P CB -0.066 31.697 31.700 0.105 0.000 0.788 270 E N -0.870 119.406 120.200 0.127 0.000 2.038 270 E HA -0.217 4.133 4.350 0.000 0.000 0.195 270 E C 1.891 178.568 176.600 0.128 0.000 1.000 270 E CA 0.976 57.444 56.400 0.112 0.000 0.803 270 E CB -0.722 29.041 29.700 0.105 0.000 0.750 270 E HN 0.007 nan 8.360 nan 0.000 0.448 271 L N 1.427 122.752 121.223 0.170 0.000 1.990 271 L HA -0.245 4.095 4.340 0.000 0.000 0.213 271 L C 2.369 179.334 176.870 0.158 0.000 1.072 271 L CA 1.932 56.881 54.840 0.181 0.000 0.755 271 L CB -0.488 41.723 42.059 0.254 0.000 0.889 271 L HN 0.000 nan 8.230 nan 0.000 0.432 272 R N -0.903 119.687 120.500 0.151 0.000 2.081 272 R HA -0.160 4.181 4.340 0.000 0.000 0.235 272 R C 2.149 178.566 176.300 0.196 0.000 1.131 272 R CA 1.376 57.587 56.100 0.186 0.000 0.960 272 R CB -0.394 29.966 30.300 0.101 0.000 0.856 272 R HN 0.530 nan 8.270 nan 0.000 0.436 273 A N 0.931 123.831 122.820 0.134 0.000 1.940 273 A HA -0.141 4.179 4.320 0.000 0.000 0.219 273 A C 2.160 179.804 177.584 0.100 0.000 1.176 273 A CA 1.199 53.304 52.037 0.113 0.000 0.631 273 A CB -0.451 18.599 19.000 0.084 0.000 0.814 273 A HN 0.336 nan 8.150 nan 0.000 0.446 274 L N -0.762 120.512 121.223 0.085 0.000 2.072 274 L HA -0.131 4.209 4.340 0.000 0.000 0.205 274 L C 2.520 179.387 176.870 -0.004 0.000 1.079 274 L CA 0.847 55.713 54.840 0.043 0.000 0.752 274 L CB -0.500 41.584 42.059 0.041 0.000 0.906 274 L HN 0.372 nan 8.230 nan 0.000 0.436 275 L N -0.914 120.313 121.223 0.006 0.000 2.046 275 L HA -0.188 4.152 4.340 0.000 0.000 0.208 275 L C 2.627 179.453 176.870 -0.073 0.000 1.077 275 L CA 1.433 56.190 54.840 -0.139 0.000 0.747 275 L CB -1.012 40.953 42.059 -0.156 0.000 0.896 275 L HN 0.245 nan 8.230 nan 0.000 0.432 276 T N -0.808 113.859 114.554 0.190 0.000 2.684 276 T HA -0.259 4.091 4.350 0.000 0.000 0.267 276 T C 1.794 176.602 174.700 0.179 0.000 1.036 276 T CA 1.731 64.024 62.100 0.321 0.000 1.148 276 T CB -0.147 68.911 68.868 0.317 0.000 0.863 276 T HN 0.387 nan 8.240 nan 0.000 0.436 277 E N 0.782 121.040 120.200 0.097 0.000 2.077 277 E HA -0.135 4.215 4.350 0.000 0.000 0.193 277 E C 2.379 179.005 176.600 0.043 0.000 0.989 277 E CA 1.039 57.478 56.400 0.065 0.000 0.800 277 E CB -0.233 29.492 29.700 0.041 0.000 0.746 277 E HN 0.465 nan 8.360 nan 0.000 0.452 278 A N 0.464 123.256 122.820 -0.047 0.000 1.865 278 A HA -0.181 4.139 4.320 0.000 0.000 0.217 278 A C 1.943 179.475 177.584 -0.086 0.000 1.191 278 A CA 1.547 53.502 52.037 -0.136 0.000 0.623 278 A CB -1.015 17.751 19.000 -0.390 0.000 0.826 278 A HN 0.374 nan 8.150 nan 0.000 0.444 279 F N 0.094 119.967 119.950 -0.128 0.000 2.171 279 F HA -0.040 4.487 4.527 0.000 0.000 0.300 279 F C 2.726 178.700 175.800 0.290 0.000 1.090 279 F CA 0.807 58.742 58.000 -0.108 0.000 1.293 279 F CB -0.542 38.287 39.000 -0.284 0.000 1.013 279 F HN 0.250 nan 8.300 nan 0.000 0.486 280 A N -0.496 122.533 122.820 0.348 0.000 2.121 280 A HA -0.113 4.207 4.320 0.000 0.000 0.218 280 A C 2.247 179.937 177.584 0.177 0.000 1.154 280 A CA 1.444 53.628 52.037 0.245 0.000 0.679 280 A CB -0.987 18.109 19.000 0.159 0.000 0.795 280 A HN 0.384 nan 8.150 nan 0.000 0.458 281 S N -1.053 114.756 115.700 0.182 0.000 2.461 281 S HA 0.015 4.485 4.470 0.000 0.000 0.228 281 S C 0.808 175.210 174.600 -0.330 0.000 1.005 281 S CA 0.234 58.397 58.200 -0.061 0.000 0.942 281 S CB -0.289 62.856 63.200 -0.092 0.000 0.776 281 S HN 0.644 nan 8.310 nan 0.000 0.514 282 H N 1.035 120.204 119.070 0.166 0.000 2.855 282 H HA 0.474 5.030 4.556 0.000 0.000 0.363 282 H C -0.982 174.364 175.328 0.030 0.000 1.185 282 H CA -0.561 55.404 56.048 -0.138 0.000 1.174 282 H CB 1.350 30.635 29.762 -0.795 0.000 1.857 282 H HN 0.372 nan 8.280 nan 0.000 0.565 283 D N -0.558 119.867 120.400 0.042 0.000 2.423 283 D HA 0.070 4.710 4.640 0.000 0.000 0.255 283 D C 1.252 177.630 176.300 0.131 0.000 1.174 283 D CA -0.673 53.376 54.000 0.082 0.000 1.008 283 D CB 1.339 42.151 40.800 0.020 0.000 1.101 283 D HN 0.478 nan 8.370 nan 0.000 0.516 284 R N -0.196 120.407 120.500 0.172 0.000 2.083 284 R HA -0.191 4.149 4.340 0.000 0.000 0.237 284 R C 0.914 177.307 176.300 0.154 0.000 1.137 284 R CA 1.631 57.872 56.100 0.235 0.000 0.951 284 R CB -0.351 30.024 30.300 0.126 0.000 0.851 284 R HN 0.458 nan 8.270 nan 0.000 0.434 285 D N -0.449 119.986 120.400 0.059 0.000 2.158 285 D HA -0.224 4.416 4.640 0.000 0.000 0.197 285 D C 1.779 178.056 176.300 -0.039 0.000 0.995 285 D CA 1.291 55.298 54.000 0.011 0.000 0.846 285 D CB -0.400 40.395 40.800 -0.009 0.000 0.941 285 D HN 0.411 nan 8.370 nan 0.000 0.456 286 H N -1.077 117.870 119.070 -0.206 0.000 2.326 286 H HA -0.124 4.432 4.556 0.000 0.000 0.301 286 H C 1.927 177.025 175.328 -0.384 0.000 1.081 286 H CA 1.439 57.244 56.048 -0.405 0.000 1.334 286 H CB -0.425 28.934 29.762 -0.671 0.000 1.385 286 H HN 0.303 nan 8.280 nan 0.000 0.504 287 W N 0.716 122.052 121.300 0.061 0.000 2.374 287 W HA -0.053 4.607 4.660 0.000 0.000 0.288 287 W C 2.846 179.413 176.519 0.081 0.000 1.218 287 W CA 0.599 58.017 57.345 0.121 0.000 1.245 287 W CB -0.449 29.285 29.460 0.456 0.000 1.126 287 W HN 0.274 nan 8.180 nan 0.000 0.545 288 G N 0.214 109.130 108.800 0.193 0.000 2.422 288 G HA2 -0.119 3.841 3.960 0.000 0.000 0.218 288 G HA3 -0.119 3.841 3.960 0.000 0.000 0.218 288 G C 1.631 176.522 174.900 -0.016 0.000 1.140 288 G CA 1.037 46.202 45.100 0.109 0.000 0.775 288 G HN 0.298 nan 8.290 nan 0.000 0.545 289 A N 0.117 122.845 122.820 -0.154 0.000 1.897 289 A HA 0.192 4.512 4.320 0.000 0.000 0.215 289 A C 2.565 179.975 177.584 -0.290 0.000 1.181 289 A CA 1.545 53.445 52.037 -0.229 0.000 0.620 289 A CB -0.445 18.372 19.000 -0.306 0.000 0.821 289 A HN 0.205 nan 8.150 nan 0.000 0.443 290 V N -1.300 118.348 119.914 -0.444 0.000 2.270 290 V HA -0.180 3.940 4.120 0.000 0.000 0.245 290 V C 1.841 177.662 176.094 -0.455 0.000 1.043 290 V CA 1.633 63.604 62.300 -0.548 0.000 1.014 290 V CB -0.899 30.481 31.823 -0.739 0.000 0.645 290 V HN 0.583 nan 8.190 nan 0.000 0.447 291 F N 0.240 120.206 119.950 0.028 0.000 2.693 291 F HA 0.417 4.944 4.527 0.000 0.000 0.303 291 F C 1.873 177.664 175.800 -0.015 0.000 1.143 291 F CA 0.143 58.157 58.000 0.023 0.000 1.389 291 F CB -0.914 38.124 39.000 0.063 0.000 1.060 291 F HN 0.061 nan 8.300 nan 0.000 0.535 292 A N 1.510 124.362 122.820 0.053 0.000 2.371 292 A HA -0.337 3.983 4.320 0.000 0.000 0.222 292 A C 1.409 179.007 177.584 0.022 0.000 1.456 292 A CA 2.372 54.419 52.037 0.016 0.000 0.945 292 A CB -0.947 18.035 19.000 -0.031 0.000 0.769 292 A HN 0.448 nan 8.150 nan 0.000 0.531 293 N N -0.618 118.088 118.700 0.009 0.000 2.558 293 N HA 0.302 5.043 4.740 0.000 0.000 0.281 293 N C -0.269 175.248 175.510 0.011 0.000 1.219 293 N CA 0.553 53.605 53.050 0.003 0.000 0.942 293 N CB 0.548 39.032 38.487 -0.004 0.000 1.241 293 N HN 0.607 nan 8.380 nan 0.000 0.511 294 S N -1.337 114.387 115.700 0.040 0.000 2.730 294 S HA 0.358 4.828 4.470 0.000 0.000 0.284 294 S C 0.200 174.793 174.600 -0.012 0.000 1.153 294 S CA -0.659 57.573 58.200 0.054 0.000 0.995 294 S CB 1.542 64.833 63.200 0.152 0.000 1.058 294 S HN -0.039 nan 8.310 nan 0.000 0.552 295 D N 0.456 120.836 120.400 -0.033 0.000 2.395 295 D HA 0.406 5.046 4.640 0.000 0.000 0.226 295 D C 1.387 177.552 176.300 -0.224 0.000 1.146 295 D CA 0.158 54.027 54.000 -0.218 0.000 0.830 295 D CB 0.021 40.720 40.800 -0.169 0.000 0.958 295 D HN 0.631 nan 8.370 nan 0.000 0.501 296 A N -0.557 122.213 122.820 -0.083 0.000 2.168 296 A HA -0.033 4.287 4.320 0.000 0.000 0.215 296 A C 1.417 178.871 177.584 -0.217 0.000 1.152 296 A CA 0.147 52.112 52.037 -0.119 0.000 0.716 296 A CB -0.495 18.385 19.000 -0.201 0.000 0.794 296 A HN 0.410 nan 8.150 nan 0.000 0.465 297 C N -1.287 117.869 119.300 -0.240 0.000 4.350 297 C HA -0.097 4.363 4.460 0.000 0.000 0.302 297 C C 0.286 175.139 174.990 -0.229 0.000 1.390 297 C CA 0.129 59.021 59.018 -0.210 0.000 2.016 297 C CB -3.307 24.359 27.740 -0.124 0.000 1.271 297 C HN 0.396 nan 8.230 nan 0.000 0.760 298 V N 1.179 120.921 119.914 -0.287 0.000 2.409 298 V HA 0.764 4.884 4.120 0.000 0.000 0.291 298 V C 0.453 176.472 176.094 -0.125 0.000 1.020 298 V CA 0.401 62.515 62.300 -0.310 0.000 0.848 298 V CB 2.256 33.679 31.823 -0.666 0.000 0.990 298 V HN 0.606 nan 8.190 nan 0.000 0.430 299 T N 3.489 117.981 114.554 -0.102 0.000 2.906 299 T HA 0.674 5.024 4.350 0.000 0.000 0.295 299 T C -3.093 171.597 174.700 -0.017 0.000 1.061 299 T CA -2.332 59.743 62.100 -0.041 0.000 1.000 299 T CB 2.483 71.310 68.868 -0.068 0.000 1.103 299 T HN 0.423 nan 8.240 nan 0.000 0.486 300 P HA 0.282 nan 4.420 nan 0.000 0.276 300 P C -0.534 176.768 177.300 0.004 0.000 1.230 300 P CA -0.423 62.698 63.100 0.034 0.000 0.776 300 P CB 0.814 32.537 31.700 0.039 0.000 0.888 301 V N 5.312 125.240 119.914 0.023 0.000 2.356 301 V HA 0.113 4.233 4.120 0.000 0.000 0.258 301 V C 0.827 176.921 176.094 -0.000 0.000 1.065 301 V CA -0.190 62.112 62.300 0.004 0.000 0.935 301 V CB -0.187 31.656 31.823 0.033 0.000 1.061 301 V HN 0.393 nan 8.190 nan 0.000 0.484 302 L N 4.313 125.511 121.223 -0.043 0.000 2.350 302 L HA 0.654 4.994 4.340 0.000 0.000 0.275 302 L C 0.778 177.582 176.870 -0.110 0.000 1.099 302 L CA -0.193 54.613 54.840 -0.057 0.000 0.808 302 L CB 1.194 43.217 42.059 -0.059 0.000 1.149 302 L HN 0.661 nan 8.230 nan 0.000 0.442 303 A N 2.160 124.927 122.820 -0.088 0.000 2.302 303 A HA 0.370 4.690 4.320 0.000 0.000 0.285 303 A C 0.834 178.369 177.584 -0.082 0.000 1.105 303 A CA -0.332 51.628 52.037 -0.128 0.000 0.816 303 A CB 0.123 19.102 19.000 -0.035 0.000 1.067 303 A HN 0.747 nan 8.150 nan 0.000 0.489 304 F N 1.531 121.470 119.950 -0.019 0.000 2.106 304 F HA -0.312 4.215 4.527 0.000 0.000 0.299 304 F C 2.459 178.218 175.800 -0.068 0.000 1.082 304 F CA 1.772 59.742 58.000 -0.050 0.000 1.244 304 F CB -0.193 38.793 39.000 -0.024 0.000 0.997 304 F HN 0.697 nan 8.300 nan 0.000 0.486 305 G N -0.760 108.138 108.800 0.164 0.000 2.484 305 G HA2 -0.129 3.831 3.960 0.000 0.000 0.218 305 G HA3 -0.129 3.831 3.960 0.000 0.000 0.218 305 G C 1.256 176.239 174.900 0.139 0.000 1.130 305 G CA 0.523 45.706 45.100 0.138 0.000 0.784 305 G HN 0.411 nan 8.290 nan 0.000 0.543 306 E N 0.021 120.234 120.200 0.021 0.000 2.452 306 E HA 0.104 4.454 4.350 0.000 0.000 0.197 306 E C 2.351 178.825 176.600 -0.210 0.000 1.022 306 E CA -0.212 56.130 56.400 -0.097 0.000 0.890 306 E CB 0.356 30.010 29.700 -0.077 0.000 0.918 306 E HN 0.229 nan 8.360 nan 0.000 0.496 307 V N 3.015 122.832 119.914 -0.161 0.000 2.324 307 V HA -0.312 3.808 4.120 0.000 0.000 0.250 307 V C 2.546 178.418 176.094 -0.370 0.000 1.060 307 V CA 2.322 64.483 62.300 -0.232 0.000 1.042 307 V CB -0.914 30.753 31.823 -0.259 0.000 0.650 307 V HN 0.557 nan 8.190 nan 0.000 0.450 308 H N -0.500 118.207 119.070 -0.604 0.000 2.545 308 H HA -0.030 4.526 4.556 0.000 0.000 0.282 308 H C 1.455 176.508 175.328 -0.458 0.000 1.020 308 H CA 1.317 56.855 56.048 -0.850 0.000 1.243 308 H CB -0.328 28.493 29.762 -1.569 0.000 1.377 308 H HN 0.416 nan 8.280 nan 0.000 0.581 309 N N 0.806 119.040 118.700 -0.777 0.000 2.299 309 N HA -0.037 4.703 4.740 0.000 0.000 0.187 309 N C 0.068 175.431 175.510 -0.246 0.000 1.099 309 N CA 0.169 52.924 53.050 -0.491 0.000 0.867 309 N CB 0.360 38.560 38.487 -0.479 0.000 0.974 309 N HN 0.415 nan 8.380 nan 0.000 0.477 310 E N 1.626 121.703 120.200 -0.204 0.000 2.217 310 E HA 0.149 4.499 4.350 0.000 0.000 0.279 310 E C -1.709 174.862 176.600 -0.047 0.000 1.068 310 E CA -1.935 54.409 56.400 -0.094 0.000 0.882 310 E CB 1.203 30.871 29.700 -0.054 0.000 1.039 310 E HN -0.006 nan 8.360 nan 0.000 0.418 311 P HA -0.217 nan 4.420 nan 0.000 0.215 311 P C 0.733 178.054 177.300 0.034 0.000 1.163 311 P CA 1.555 64.657 63.100 0.004 0.000 0.894 311 P CB -0.011 31.698 31.700 0.015 0.000 0.791 312 H N -0.849 118.212 119.070 -0.016 0.000 2.387 312 H HA -0.110 4.446 4.556 0.000 0.000 0.299 312 H C 1.820 177.155 175.328 0.011 0.000 1.099 312 H CA 1.443 57.489 56.048 -0.003 0.000 1.315 312 H CB -0.626 29.134 29.762 -0.003 0.000 1.380 312 H HN -0.064 nan 8.280 nan 0.000 0.513 313 I N 0.219 120.812 120.570 0.038 0.000 2.252 313 I HA -0.224 3.946 4.170 0.000 0.000 0.245 313 I C 2.368 178.480 176.117 -0.009 0.000 1.102 313 I CA 1.172 62.491 61.300 0.031 0.000 1.385 313 I CB -0.938 37.110 38.000 0.081 0.000 1.064 313 I HN 0.368 nan 8.210 nan 0.000 0.414 314 I N 0.347 120.896 120.570 -0.035 0.000 2.179 314 I HA -0.240 3.930 4.170 0.000 0.000 0.242 314 I C 2.543 178.651 176.117 -0.015 0.000 1.088 314 I CA 1.193 62.481 61.300 -0.021 0.000 1.357 314 I CB -0.424 37.558 38.000 -0.029 0.000 1.051 314 I HN 0.174 nan 8.210 nan 0.000 0.409 315 E N 0.957 121.124 120.200 -0.055 0.000 2.153 315 E HA -0.145 4.205 4.350 0.000 0.000 0.194 315 E C 2.072 178.624 176.600 -0.081 0.000 0.988 315 E CA 1.052 57.417 56.400 -0.058 0.000 0.811 315 E CB -0.041 29.621 29.700 -0.062 0.000 0.746 315 E HN 0.467 nan 8.360 nan 0.000 0.466 316 R N 0.516 120.927 120.500 -0.149 0.000 2.317 316 R HA 0.104 4.444 4.340 0.000 0.000 0.208 316 R C -0.023 176.246 176.300 -0.052 0.000 0.914 316 R CA -0.090 55.928 56.100 -0.137 0.000 1.060 316 R CB 0.111 30.256 30.300 -0.257 0.000 1.015 316 R HN 0.098 nan 8.270 nan 0.000 0.498 317 N N 0.989 119.691 118.700 0.004 0.000 2.714 317 N HA -0.163 4.577 4.740 0.000 0.000 0.253 317 N C 0.043 175.595 175.510 0.070 0.000 1.024 317 N CA 0.997 54.096 53.050 0.082 0.000 0.726 317 N CB -0.910 37.628 38.487 0.085 0.000 0.908 317 N HN 0.227 nan 8.380 nan 0.000 0.542 318 T N -1.159 113.418 114.554 0.039 0.000 2.995 318 T HA 0.006 4.356 4.350 0.000 0.000 0.269 318 T C 0.546 175.078 174.700 -0.281 0.000 1.091 318 T CA 1.059 63.088 62.100 -0.118 0.000 1.128 318 T CB 0.032 68.810 68.868 -0.150 0.000 0.891 318 T HN 0.295 nan 8.240 nan 0.000 0.492 319 F N 0.306 120.358 119.950 0.170 0.000 2.579 319 F HA 0.573 5.100 4.527 0.000 0.000 0.324 319 F C -0.420 175.670 175.800 0.482 0.000 1.058 319 F CA -1.942 56.233 58.000 0.291 0.000 0.944 319 F CB 1.446 40.608 39.000 0.269 0.000 1.245 319 F HN 0.063 nan 8.300 nan 0.000 0.477 320 Y N -1.672 118.939 120.300 0.518 0.000 2.570 320 Y HA 0.683 5.233 4.550 0.000 0.000 0.345 320 Y C -0.964 174.989 175.900 0.087 0.000 1.014 320 Y CA -1.442 56.842 58.100 0.306 0.000 1.063 320 Y CB 0.951 39.486 38.460 0.126 0.000 1.272 320 Y HN 0.529 nan 8.280 nan 0.000 0.477 321 E N 1.676 121.655 120.200 -0.368 0.000 2.259 321 E HA 0.525 4.875 4.350 0.000 0.000 0.281 321 E C -0.408 176.003 176.600 -0.317 0.000 1.027 321 E CA -0.358 55.601 56.400 -0.734 0.000 0.838 321 E CB 1.529 30.671 29.700 -0.930 0.000 1.066 321 E HN 0.829 nan 8.360 nan 0.000 0.401 322 A N 3.511 126.123 122.820 -0.347 0.000 3.774 322 A HA 0.170 4.490 4.320 0.000 0.000 0.171 322 A C 1.065 178.556 177.584 -0.155 0.000 1.655 322 A CA -0.044 51.913 52.037 -0.133 0.000 1.543 322 A CB -0.049 18.893 19.000 -0.097 0.000 1.659 322 A HN 0.592 nan 8.150 nan 0.000 0.636 323 N N -0.655 117.979 118.700 -0.109 0.000 2.202 323 N HA 0.029 4.769 4.740 0.000 0.000 0.191 323 N C 1.769 177.203 175.510 -0.127 0.000 1.054 323 N CA 1.617 54.607 53.050 -0.099 0.000 0.877 323 N CB -1.208 37.244 38.487 -0.059 0.000 1.057 323 N HN 0.538 nan 8.380 nan 0.000 0.456 324 G N -0.677 108.059 108.800 -0.107 0.000 2.900 324 G HA2 -0.041 3.919 3.960 0.000 0.000 0.212 324 G HA3 -0.041 3.919 3.960 0.000 0.000 0.212 324 G C 0.741 175.542 174.900 -0.164 0.000 1.359 324 G CA 1.705 46.741 45.100 -0.108 0.000 0.800 324 G HN 0.660 nan 8.290 nan 0.000 0.680 325 G N -2.022 106.662 108.800 -0.193 0.000 3.366 325 G HA2 0.448 4.408 3.960 0.000 0.000 0.179 325 G HA3 0.448 4.408 3.960 0.000 0.000 0.179 325 G C -1.397 173.262 174.900 -0.402 0.000 1.143 325 G CA -0.743 44.178 45.100 -0.299 0.000 0.810 325 G HN 0.295 nan 8.290 nan 0.000 0.697 326 W N 1.256 122.430 121.300 -0.211 0.000 2.316 326 W HA 0.704 5.364 4.660 0.000 0.000 0.321 326 W C 0.057 176.480 176.519 -0.160 0.000 1.203 326 W CA -0.167 57.051 57.345 -0.211 0.000 1.214 326 W CB 1.289 30.583 29.460 -0.277 0.000 1.169 326 W HN 0.093 nan 8.180 nan 0.000 0.561 327 Q N 3.563 123.358 119.800 -0.009 0.000 2.397 327 Q HA 0.384 4.724 4.340 0.000 0.000 0.275 327 Q C -2.453 173.603 176.000 0.093 0.000 1.090 327 Q CA -2.296 53.444 55.803 -0.104 0.000 0.809 327 Q CB 2.078 30.459 28.738 -0.594 0.000 1.362 327 Q HN 0.124 nan 8.270 nan 0.000 0.431 328 P HA 0.141 nan 4.420 nan 0.000 0.276 328 P C -0.258 177.109 177.300 0.112 0.000 1.230 328 P CA -0.307 62.663 63.100 -0.216 0.000 0.776 328 P CB 0.644 32.200 31.700 -0.241 0.000 0.888 329 M N 3.902 123.541 119.600 0.065 0.000 2.226 329 M HA 0.216 4.696 4.480 0.000 0.000 0.324 329 M C -1.780 174.524 176.300 0.006 0.000 1.112 329 M CA -2.056 53.311 55.300 0.113 0.000 1.176 329 M CB -0.923 31.715 32.600 0.063 0.000 1.430 329 M HN 0.235 nan 8.290 nan 0.000 0.462 330 P HA 0.134 nan 4.420 nan 0.000 0.263 330 P C -1.312 175.979 177.300 -0.015 0.000 1.175 330 P CA 0.074 63.173 63.100 -0.001 0.000 0.761 330 P CB 0.141 31.854 31.700 0.021 0.000 0.794 331 A N 4.825 127.632 122.820 -0.022 0.000 2.401 331 A HA 0.780 5.100 4.320 0.000 0.000 0.310 331 A C -2.240 175.322 177.584 -0.037 0.000 1.075 331 A CA -1.355 50.648 52.037 -0.058 0.000 0.746 331 A CB 0.790 19.749 19.000 -0.068 0.000 1.277 331 A HN 0.411 nan 8.150 nan 0.000 0.425 332 P HA 0.427 nan 4.420 nan 0.000 0.297 332 P C -0.794 176.215 177.300 -0.486 0.000 1.303 332 P CA -0.418 62.508 63.100 -0.290 0.000 0.753 332 P CB 0.547 32.032 31.700 -0.358 0.000 1.281 333 R N -0.953 119.232 120.500 -0.526 0.000 2.598 333 R HA 0.616 4.956 4.340 0.000 0.000 0.279 333 R C -0.698 175.176 176.300 -0.710 0.000 0.984 333 R CA -0.400 55.433 56.100 -0.446 0.000 0.999 333 R CB 0.688 30.873 30.300 -0.191 0.000 1.114 333 R HN 0.369 nan 8.270 nan 0.000 0.493 334 F N -0.283 119.653 119.950 -0.023 0.000 2.518 334 F HA 0.168 4.695 4.527 0.000 0.000 0.323 334 F C 1.346 177.136 175.800 -0.017 0.000 1.129 334 F CA -0.790 57.198 58.000 -0.020 0.000 0.920 334 F CB 2.137 41.124 39.000 -0.022 0.000 1.160 334 F HN 0.592 nan 8.300 nan 0.000 0.440 335 S N 1.886 117.663 115.700 0.128 0.000 2.428 335 S HA -0.069 4.401 4.470 0.000 0.000 0.230 335 S C 1.825 176.467 174.600 0.070 0.000 1.014 335 S CA 0.909 59.150 58.200 0.069 0.000 0.957 335 S CB -0.035 63.189 63.200 0.039 0.000 0.784 335 S HN 0.765 nan 8.310 nan 0.000 0.499 336 R N 1.441 121.992 120.500 0.085 0.000 2.102 336 R HA 0.088 4.428 4.340 0.000 0.000 0.208 336 R C 0.151 176.475 176.300 0.039 0.000 1.131 336 R CA 1.320 57.450 56.100 0.050 0.000 1.054 336 R CB -0.044 30.278 30.300 0.037 0.000 0.954 336 R HN 0.513 nan 8.270 nan 0.000 0.465 337 T N -0.290 114.287 114.554 0.039 0.000 3.145 337 T HA 0.641 4.991 4.350 0.000 0.000 0.362 337 T C -0.258 174.457 174.700 0.024 0.000 1.340 337 T CA -0.711 61.383 62.100 -0.010 0.000 1.069 337 T CB 1.305 70.121 68.868 -0.087 0.000 1.129 337 T HN 0.265 nan 8.240 nan 0.000 0.585 338 A N 3.053 125.907 122.820 0.058 0.000 2.401 338 A HA 0.608 4.928 4.320 0.000 0.000 0.259 338 A C 0.744 178.361 177.584 0.054 0.000 1.103 338 A CA -0.652 51.445 52.037 0.100 0.000 0.789 338 A CB 0.134 19.174 19.000 0.067 0.000 1.035 338 A HN 0.766 nan 8.150 nan 0.000 0.491 339 S N 1.468 117.225 115.700 0.095 0.000 2.572 339 S HA 0.267 4.737 4.470 0.000 0.000 0.279 339 S C 0.834 175.432 174.600 -0.004 0.000 1.341 339 S CA -0.383 57.837 58.200 0.034 0.000 1.043 339 S CB 0.581 63.824 63.200 0.071 0.000 0.887 339 S HN 0.775 nan 8.310 nan 0.000 0.516 340 S N 1.459 117.138 115.700 -0.035 0.000 2.624 340 S HA 0.166 4.636 4.470 0.000 0.000 0.263 340 S C 0.260 174.793 174.600 -0.110 0.000 1.287 340 S CA -0.708 57.456 58.200 -0.061 0.000 0.990 340 S CB 0.342 63.505 63.200 -0.062 0.000 0.950 340 S HN 0.738 nan 8.310 nan 0.000 0.561 341 Q N 1.250 120.958 119.800 -0.153 0.000 2.311 341 Q HA 0.127 4.467 4.340 0.000 0.000 0.272 341 Q C -2.380 173.437 176.000 -0.305 0.000 1.012 341 Q CA -1.464 54.158 55.803 -0.302 0.000 0.891 341 Q CB 0.109 28.676 28.738 -0.286 0.000 1.201 341 Q HN 0.227 nan 8.270 nan 0.000 0.391 342 P HA -0.027 nan 4.420 nan 0.000 0.266 342 P C -1.098 176.113 177.300 -0.148 0.000 1.195 342 P CA 0.425 63.391 63.100 -0.224 0.000 0.768 342 P CB 0.484 32.083 31.700 -0.169 0.000 0.838 343 R N 4.484 124.941 120.500 -0.070 0.000 2.340 343 R HA 0.243 4.583 4.340 0.000 0.000 0.300 343 R C -1.880 174.419 176.300 -0.001 0.000 1.069 343 R CA -1.578 54.500 56.100 -0.036 0.000 0.984 343 R CB -0.166 30.118 30.300 -0.027 0.000 1.003 343 R HN 0.430 nan 8.270 nan 0.000 0.459 344 P HA -0.033 nan 4.420 nan 0.000 0.267 344 P C -2.418 174.892 177.300 0.017 0.000 1.195 344 P CA -0.927 62.192 63.100 0.032 0.000 0.773 344 P CB -0.237 31.476 31.700 0.023 0.000 0.837 345 P HA 0.136 nan 4.420 nan 0.000 0.264 345 P C -0.504 176.798 177.300 0.003 0.000 1.183 345 P CA 0.702 63.809 63.100 0.010 0.000 0.763 345 P CB 0.229 31.937 31.700 0.013 0.000 0.807 346 A N 2.595 125.413 122.820 -0.003 0.000 2.435 346 A HA 0.778 5.099 4.320 0.000 0.000 0.296 346 A C -0.308 177.270 177.584 -0.010 0.000 1.147 346 A CA -0.563 51.469 52.037 -0.008 0.000 0.775 346 A CB 1.002 19.994 19.000 -0.013 0.000 1.340 346 A HN 0.554 nan 8.150 nan 0.000 0.427 347 A N 0.190 123.003 122.820 -0.012 0.000 2.583 347 A HA 0.455 4.775 4.320 0.000 0.000 0.231 347 A C 0.721 178.294 177.584 -0.018 0.000 1.065 347 A CA 0.758 52.787 52.037 -0.013 0.000 0.760 347 A CB -0.684 18.308 19.000 -0.014 0.000 1.001 347 A HN 0.985 nan 8.150 nan 0.000 0.509 348 T N 1.829 116.372 114.554 -0.017 0.000 2.916 348 T HA 0.405 4.755 4.350 0.000 0.000 0.303 348 T C 0.489 175.171 174.700 -0.030 0.000 1.025 348 T CA 0.838 62.925 62.100 -0.023 0.000 1.142 348 T CB -0.254 68.604 68.868 -0.017 0.000 0.947 348 T HN 0.634 nan 8.240 nan 0.000 0.544 349 I N -0.625 119.920 120.570 -0.042 0.000 2.863 349 I HA 0.662 4.832 4.170 0.000 0.000 0.311 349 I C -0.296 175.788 176.117 -0.055 0.000 1.026 349 I CA -1.325 59.946 61.300 -0.050 0.000 1.077 349 I CB 1.575 39.538 38.000 -0.062 0.000 1.262 349 I HN 0.265 nan 8.210 nan 0.000 0.461 350 D N 2.862 123.230 120.400 -0.053 0.000 2.390 350 D HA 0.130 4.770 4.640 0.000 0.000 0.249 350 D C 0.911 177.168 176.300 -0.071 0.000 1.144 350 D CA 0.131 54.100 54.000 -0.051 0.000 0.880 350 D CB 1.122 41.898 40.800 -0.040 0.000 1.182 350 D HN 0.702 nan 8.370 nan 0.000 0.451 351 I N 3.310 123.840 120.570 -0.067 0.000 2.335 351 I HA -0.254 3.916 4.170 0.000 0.000 0.251 351 I C 1.555 177.620 176.117 -0.087 0.000 1.129 351 I CA 1.130 62.379 61.300 -0.084 0.000 1.402 351 I CB 0.209 38.174 38.000 -0.058 0.000 1.069 351 I HN 0.491 nan 8.210 nan 0.000 0.424 352 E N 1.055 121.219 120.200 -0.060 0.000 2.077 352 E HA -0.232 4.118 4.350 0.000 0.000 0.193 352 E C 2.224 178.788 176.600 -0.060 0.000 0.989 352 E CA 1.376 57.748 56.400 -0.047 0.000 0.800 352 E CB -0.462 29.220 29.700 -0.030 0.000 0.746 352 E HN 0.617 nan 8.360 nan 0.000 0.452 353 A N 1.512 124.289 122.820 -0.072 0.000 1.902 353 A HA -0.133 4.187 4.320 0.000 0.000 0.217 353 A C 2.655 180.167 177.584 -0.120 0.000 1.181 353 A CA 1.553 53.543 52.037 -0.077 0.000 0.623 353 A CB -0.697 18.259 19.000 -0.072 0.000 0.818 353 A HN 0.139 nan 8.150 nan 0.000 0.443 354 V N 0.037 119.838 119.914 -0.189 0.000 2.358 354 V HA -0.243 3.877 4.120 0.000 0.000 0.246 354 V C 2.519 178.430 176.094 -0.306 0.000 1.047 354 V CA 1.811 63.901 62.300 -0.350 0.000 1.035 354 V CB -0.853 30.684 31.823 -0.478 0.000 0.658 354 V HN 0.555 nan 8.190 nan 0.000 0.452 355 L N 0.639 121.768 121.223 -0.158 0.000 2.083 355 L HA -0.177 4.163 4.340 0.000 0.000 0.209 355 L C 2.812 179.701 176.870 0.032 0.000 1.083 355 L CA 2.099 56.923 54.840 -0.027 0.000 0.752 355 L CB -1.022 41.032 42.059 -0.007 0.000 0.899 355 L HN 0.586 nan 8.230 nan 0.000 0.433 356 T N -3.241 111.312 114.554 -0.002 0.000 2.777 356 T HA -0.226 4.124 4.350 0.000 0.000 0.266 356 T C 1.500 176.227 174.700 0.045 0.000 1.040 356 T CA 1.290 63.401 62.100 0.020 0.000 1.141 356 T CB -0.465 68.402 68.868 -0.001 0.000 0.868 356 T HN 0.308 nan 8.240 nan 0.000 0.444 357 D N 0.403 120.814 120.400 0.018 0.000 2.092 357 D HA -0.164 4.476 4.640 0.000 0.000 0.193 357 D C 1.368 177.799 176.300 0.218 0.000 0.994 357 D CA 1.013 55.048 54.000 0.059 0.000 0.828 357 D CB -0.514 40.267 40.800 -0.031 0.000 0.963 357 D HN 0.462 nan 8.370 nan 0.000 0.450 358 W N 0.671 121.967 121.300 -0.006 0.000 2.961 358 W HA 0.189 4.849 4.660 0.000 0.000 0.240 358 W C 0.564 177.080 176.519 -0.005 0.000 1.305 358 W CA 0.839 58.180 57.345 -0.006 0.000 1.465 358 W CB -0.649 28.808 29.460 -0.006 0.000 1.135 358 W HN 0.170 nan 8.180 nan 0.000 0.688 359 D N -3.098 117.419 120.400 0.195 0.000 2.911 359 D HA -0.150 4.490 4.640 0.000 0.000 0.199 359 D C 1.210 177.567 176.300 0.095 0.000 1.041 359 D CA 1.590 55.656 54.000 0.109 0.000 1.013 359 D CB -1.292 39.554 40.800 0.077 0.000 1.093 359 D HN 0.208 nan 8.370 nan 0.000 0.431 360 G N 0.000 108.879 108.800 0.132 0.000 5.446 360 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 360 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 360 G CA 0.000 45.163 45.100 0.104 0.000 0.502 360 G HN 0.000 nan 8.290 nan 0.000 0.925