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 3a51_1_D DATA FIRST_RESID 2 DATA SEQUENCE ALTTTGTEQH DLFSGTFWQN PHPAYAALRA EDPVRKLALP DGPVWLLTRY DATA SEQUENCE ADVREAFVDP RLSKDWRHRL PEDQRADMPA TPTPMMILMD PPDHTRLRKL DATA SEQUENCE VGRSFTVRRM NELEPRITEI ADGLLAGLPT DGPVDLMREY AFQIPVQVIC DATA SEQUENCE ELLGLPAEDR DDFSAWSSVL VDDSPADDKN AAMGKLHGYL SDLLERKRTE DATA SEQUENCE PDDALLSSLL AVSDMDGDRL SQEELVAMAM LLLIAGHETT VNLIGNGVLA DATA SEQUENCE LLTHPDQRKL LAEDPSLISS AVEEFLRFDS PVSQAPIRFT AEDVTYSGVT DATA SEQUENCE IPAGEMVMLG LAAANRDADW MPEPDRLDIT RDASGGVFFG HGIHFCLGAQ DATA SEQUENCE LARLEGRVAI GRLFADRPEL ALAVGLDELV YRRSTLVRGL SRMPVTMGPR DATA SEQUENCE SA 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 0.000 177.565 177.584 -0.032 0.000 1.274 2 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 2 A CB 0.000 18.992 19.000 -0.014 0.000 0.831 3 L N 0.469 121.663 121.223 -0.048 0.000 2.375 3 L HA 0.900 5.242 4.340 0.003 0.000 0.268 3 L C 0.551 177.377 176.870 -0.074 0.000 1.058 3 L CA -0.567 54.238 54.840 -0.058 0.000 0.803 3 L CB 1.806 43.831 42.059 -0.056 0.000 1.212 3 L HN 0.826 nan 8.230 nan 0.000 0.451 4 T N -0.737 113.781 114.554 -0.061 0.000 2.868 4 T HA 0.403 4.755 4.350 0.003 0.000 0.306 4 T C -0.417 174.264 174.700 -0.031 0.000 1.224 4 T CA -0.427 61.641 62.100 -0.053 0.000 1.012 4 T CB 1.560 70.398 68.868 -0.050 0.000 1.221 4 T HN 0.831 nan 8.240 nan 0.000 0.499 5 T N 0.434 114.987 114.554 -0.001 0.000 2.795 5 T HA 0.294 4.646 4.350 0.003 0.000 0.314 5 T C 1.368 176.070 174.700 0.004 0.000 1.069 5 T CA 0.554 62.671 62.100 0.028 0.000 1.071 5 T CB 0.564 69.494 68.868 0.104 0.000 0.988 5 T HN 0.815 nan 8.240 nan 0.000 0.543 6 T N -2.039 112.523 114.554 0.013 0.000 2.971 6 T HA 0.393 4.745 4.350 0.003 0.000 0.252 6 T C 1.342 176.044 174.700 0.002 0.000 1.022 6 T CA 0.083 62.183 62.100 0.001 0.000 0.980 6 T CB -0.214 68.656 68.868 0.004 0.000 1.044 6 T HN 0.869 nan 8.240 nan 0.000 0.501 7 G N 2.135 110.944 108.800 0.015 0.000 2.580 7 G HA2 0.318 4.280 3.960 0.003 0.000 0.225 7 G HA3 0.318 4.280 3.960 0.003 0.000 0.225 7 G C 1.363 176.261 174.900 -0.002 0.000 1.521 7 G CA 0.553 45.662 45.100 0.014 0.000 1.068 7 G HN 0.320 nan 8.290 nan 0.000 0.564 8 T N -0.395 114.161 114.554 0.004 0.000 2.652 8 T HA -0.094 4.258 4.350 0.003 0.000 0.267 8 T C 0.951 175.628 174.700 -0.038 0.000 1.039 8 T CA 1.661 63.755 62.100 -0.009 0.000 1.153 8 T CB -0.573 68.298 68.868 0.005 0.000 0.863 8 T HN 0.670 nan 8.240 nan 0.000 0.428 9 E N 2.027 122.204 120.200 -0.037 0.000 2.200 9 E HA 0.308 4.660 4.350 0.003 0.000 0.283 9 E C -0.834 175.611 176.600 -0.257 0.000 1.015 9 E CA -0.725 55.583 56.400 -0.153 0.000 0.819 9 E CB 0.838 30.494 29.700 -0.074 0.000 1.081 9 E HN 0.417 nan 8.360 nan 0.000 0.397 10 Q N 3.281 122.868 119.800 -0.356 0.000 2.314 10 Q HA 0.277 4.619 4.340 0.003 0.000 0.259 10 Q C -0.610 175.109 176.000 -0.468 0.000 0.951 10 Q CA -0.465 55.168 55.803 -0.284 0.000 0.909 10 Q CB 1.417 30.064 28.738 -0.153 0.000 1.236 10 Q HN 0.568 nan 8.270 nan 0.000 0.444 11 H N 1.114 120.154 119.070 -0.050 0.000 2.572 11 H HA 0.253 4.811 4.556 0.003 0.000 0.359 11 H C -0.770 174.505 175.328 -0.087 0.000 1.134 11 H CA -0.768 55.239 56.048 -0.068 0.000 1.187 11 H CB 1.708 31.423 29.762 -0.077 0.000 1.597 11 H HN 0.514 nan 8.280 nan 0.000 0.524 12 D N 2.417 122.826 120.400 0.017 0.000 2.424 12 D HA 0.112 4.754 4.640 0.003 0.000 0.244 12 D C 0.178 176.378 176.300 -0.166 0.000 1.134 12 D CA 0.186 54.143 54.000 -0.073 0.000 0.881 12 D CB 1.256 42.011 40.800 -0.076 0.000 1.191 12 D HN 0.261 nan 8.370 nan 0.000 0.445 13 L N 2.969 123.996 121.223 -0.326 0.000 2.319 13 L HA 0.248 4.590 4.340 0.003 0.000 0.281 13 L C -0.094 176.251 176.870 -0.874 0.000 1.005 13 L CA -0.804 53.574 54.840 -0.771 0.000 0.828 13 L CB 0.602 42.415 42.059 -0.410 0.000 1.227 13 L HN 0.385 nan 8.230 nan 0.000 0.415 14 F N 1.221 120.165 119.950 -1.677 0.000 3.091 14 F HA -0.286 4.243 4.527 0.003 0.000 0.288 14 F C 0.508 175.932 175.800 -0.626 0.000 0.907 14 F CA 0.879 58.090 58.000 -1.315 0.000 1.028 14 F CB -2.107 36.476 39.000 -0.696 0.000 1.022 14 F HN 0.629 nan 8.300 nan 0.000 0.665 15 S N -2.698 112.652 115.700 -0.584 0.000 2.611 15 S HA 0.732 5.204 4.470 0.003 0.000 0.270 15 S C 0.222 174.736 174.600 -0.142 0.000 1.131 15 S CA -0.180 57.976 58.200 -0.073 0.000 0.826 15 S CB 1.440 64.660 63.200 0.034 0.000 1.095 15 S HN 1.860 nan 8.310 nan 0.000 0.461 16 G N 1.755 110.606 108.800 0.086 0.000 2.583 16 G HA2 -0.339 3.623 3.960 0.003 0.000 0.292 16 G HA3 -0.339 3.623 3.960 0.003 0.000 0.292 16 G C 1.130 176.061 174.900 0.051 0.000 1.203 16 G CA 1.672 46.812 45.100 0.066 0.000 0.987 16 G HN 2.382 nan 8.290 nan 0.000 0.554 17 T N -1.427 113.128 114.554 0.001 0.000 2.929 17 T HA 0.003 4.355 4.350 0.003 0.000 0.271 17 T C 2.086 176.715 174.700 -0.119 0.000 1.085 17 T CA 2.089 64.175 62.100 -0.024 0.000 1.125 17 T CB -0.205 68.650 68.868 -0.021 0.000 0.874 17 T HN 0.899 nan 8.240 nan 0.000 0.494 18 F N 0.936 120.648 119.950 -0.396 0.000 2.095 18 F HA 0.002 4.531 4.527 0.003 0.000 0.298 18 F C 1.890 177.346 175.800 -0.574 0.000 1.104 18 F CA 1.131 58.743 58.000 -0.647 0.000 1.232 18 F CB -0.492 37.922 39.000 -0.978 0.000 0.987 18 F HN 0.186 nan 8.300 nan 0.000 0.475 19 W N 0.039 121.334 121.300 -0.008 0.000 2.342 19 W HA -0.204 4.458 4.660 0.004 0.000 0.297 19 W C 2.548 178.927 176.519 -0.234 0.000 1.213 19 W CA 0.892 58.203 57.345 -0.057 0.000 1.251 19 W CB -0.652 28.867 29.460 0.099 0.000 1.136 19 W HN 0.097 nan 8.180 nan 0.000 0.526 20 Q N 0.430 120.235 119.800 0.008 0.000 2.062 20 Q HA -0.087 4.255 4.340 0.003 0.000 0.196 20 Q C 0.252 176.054 176.000 -0.329 0.000 0.967 20 Q CA 1.201 56.972 55.803 -0.053 0.000 0.832 20 Q CB -0.034 28.740 28.738 0.059 0.000 0.899 20 Q HN -0.022 nan 8.270 nan 0.000 0.442 21 N N -0.648 117.825 118.700 -0.378 0.000 2.594 21 N HA 0.198 4.940 4.740 0.003 0.000 0.280 21 N C -2.613 172.468 175.510 -0.714 0.000 1.156 21 N CA -1.584 51.196 53.050 -0.449 0.000 0.831 21 N CB 1.788 40.145 38.487 -0.216 0.000 1.379 21 N HN -0.051 nan 8.380 nan 0.000 0.536 22 P HA 0.029 nan 4.420 nan 0.000 0.245 22 P C 0.685 177.157 177.300 -1.379 0.000 1.206 22 P CA 0.612 62.623 63.100 -1.815 0.000 0.781 22 P CB 0.356 30.584 31.700 -2.454 0.000 0.994 23 H N 0.636 119.325 119.070 -0.634 0.000 2.357 23 H HA 0.035 4.593 4.556 0.003 0.000 0.301 23 H C -0.523 174.633 175.328 -0.286 0.000 1.082 23 H CA 1.558 57.420 56.048 -0.310 0.000 1.342 23 H CB -2.052 27.576 29.762 -0.222 0.000 1.389 23 H HN 0.245 nan 8.280 nan 0.000 0.511 24 P HA -0.118 nan 4.420 nan 0.000 0.215 24 P C 1.645 178.587 177.300 -0.597 0.000 1.157 24 P CA 1.904 64.751 63.100 -0.421 0.000 0.868 24 P CB -0.122 31.272 31.700 -0.509 0.000 0.788 25 A N -1.395 121.061 122.820 -0.608 0.000 1.883 25 A HA -0.245 4.077 4.320 0.003 0.000 0.217 25 A C 2.085 179.598 177.584 -0.118 0.000 1.186 25 A CA 1.580 53.402 52.037 -0.358 0.000 0.624 25 A CB -1.992 16.873 19.000 -0.225 0.000 0.822 25 A HN 0.095 nan 8.150 nan 0.000 0.444 26 Y N -0.061 120.161 120.300 -0.130 0.000 2.165 26 Y HA -0.155 4.397 4.550 0.003 0.000 0.286 26 Y C 2.986 178.871 175.900 -0.026 0.000 1.155 26 Y CA 0.440 58.509 58.100 -0.051 0.000 1.164 26 Y CB -1.186 37.241 38.460 -0.055 0.000 0.978 26 Y HN 0.341 nan 8.280 nan 0.000 0.513 27 A N -0.096 122.791 122.820 0.111 0.000 1.902 27 A HA -0.098 4.224 4.320 0.003 0.000 0.217 27 A C 2.525 180.144 177.584 0.057 0.000 1.181 27 A CA 1.945 54.021 52.037 0.066 0.000 0.623 27 A CB -1.195 17.817 19.000 0.020 0.000 0.818 27 A HN 0.383 nan 8.150 nan 0.000 0.443 28 A N -0.291 122.548 122.820 0.032 0.000 1.933 28 A HA -0.032 4.290 4.320 0.003 0.000 0.218 28 A C 2.182 179.819 177.584 0.089 0.000 1.175 28 A CA 1.460 53.545 52.037 0.081 0.000 0.628 28 A CB -0.583 18.515 19.000 0.162 0.000 0.814 28 A HN 0.475 nan 8.150 nan 0.000 0.444 29 L N -1.040 120.243 121.223 0.099 0.000 1.994 29 L HA -0.216 4.126 4.340 0.003 0.000 0.208 29 L C 2.904 179.831 176.870 0.095 0.000 1.071 29 L CA 1.641 56.545 54.840 0.106 0.000 0.745 29 L CB -0.533 41.611 42.059 0.142 0.000 0.892 29 L HN 0.363 nan 8.230 nan 0.000 0.431 30 R N -0.223 120.335 120.500 0.096 0.000 2.105 30 R HA -0.183 4.159 4.340 0.003 0.000 0.239 30 R C 2.303 178.649 176.300 0.077 0.000 1.135 30 R CA 1.500 57.651 56.100 0.083 0.000 0.967 30 R CB -0.472 29.880 30.300 0.086 0.000 0.861 30 R HN 0.400 nan 8.270 nan 0.000 0.442 31 A N 0.694 123.558 122.820 0.073 0.000 1.930 31 A HA -0.083 4.239 4.320 0.003 0.000 0.215 31 A C 1.637 179.258 177.584 0.062 0.000 1.176 31 A CA 1.020 53.096 52.037 0.065 0.000 0.632 31 A CB 0.153 19.189 19.000 0.060 0.000 0.819 31 A HN 0.155 nan 8.150 nan 0.000 0.445 32 E N -1.625 118.614 120.200 0.066 0.000 2.453 32 E HA 0.090 4.442 4.350 0.003 0.000 0.211 32 E C -0.647 175.991 176.600 0.063 0.000 0.897 32 E CA 0.252 56.688 56.400 0.060 0.000 1.063 32 E CB 0.663 30.397 29.700 0.057 0.000 1.080 32 E HN 0.396 nan 8.360 nan 0.000 0.512 33 D N 0.367 120.809 120.400 0.071 0.000 2.978 33 D HA 0.110 4.752 4.640 0.003 0.000 0.268 33 D C -2.161 174.193 176.300 0.090 0.000 1.252 33 D CA -1.339 52.707 54.000 0.077 0.000 0.771 33 D CB 0.986 41.825 40.800 0.065 0.000 1.361 33 D HN -0.151 nan 8.370 nan 0.000 0.558 34 P HA 0.014 nan 4.420 nan 0.000 0.233 34 P C 0.240 177.597 177.300 0.095 0.000 1.167 34 P CA 0.350 63.502 63.100 0.086 0.000 0.770 34 P CB 0.631 32.379 31.700 0.079 0.000 0.837 35 V N 0.882 120.880 119.914 0.140 0.000 2.383 35 V HA 0.307 4.429 4.120 0.003 0.000 0.264 35 V C -0.021 176.261 176.094 0.314 0.000 1.001 35 V CA -0.756 61.672 62.300 0.213 0.000 0.828 35 V CB 0.932 32.883 31.823 0.214 0.000 1.069 35 V HN -0.070 nan 8.190 nan 0.000 0.451 36 R N 3.002 123.639 120.500 0.228 0.000 2.294 36 R HA 0.469 4.811 4.340 0.003 0.000 0.319 36 R C -0.341 175.915 176.300 -0.073 0.000 0.984 36 R CA -0.370 55.782 56.100 0.087 0.000 0.861 36 R CB 1.010 31.344 30.300 0.057 0.000 1.104 36 R HN 0.526 nan 8.270 nan 0.000 0.451 37 K N 5.549 125.681 120.400 -0.448 0.000 2.276 37 K HA 0.259 4.581 4.320 0.003 0.000 0.285 37 K C -0.990 175.324 176.600 -0.478 0.000 1.062 37 K CA -0.384 55.342 56.287 -0.934 0.000 0.918 37 K CB 0.455 32.009 32.500 -1.576 0.000 1.055 37 K HN 0.586 nan 8.250 nan 0.000 0.477 38 L N 3.697 124.694 121.223 -0.377 0.000 2.287 38 L HA 0.390 4.732 4.340 0.003 0.000 0.287 38 L C 0.158 176.898 176.870 -0.217 0.000 1.022 38 L CA -0.832 53.872 54.840 -0.227 0.000 0.814 38 L CB 1.779 43.739 42.059 -0.164 0.000 1.217 38 L HN 0.654 nan 8.230 nan 0.000 0.420 39 A N 5.763 128.483 122.820 -0.166 0.000 2.906 39 A HA 0.441 4.763 4.320 0.003 0.000 0.289 39 A C 0.154 177.678 177.584 -0.099 0.000 1.675 39 A CA -0.112 51.850 52.037 -0.125 0.000 1.372 39 A CB -0.544 18.397 19.000 -0.097 0.000 1.091 39 A HN 0.668 nan 8.150 nan 0.000 0.579 40 L N 2.496 123.652 121.223 -0.112 0.000 2.569 40 L HA 0.339 4.681 4.340 0.003 0.000 0.247 40 L C -0.609 176.227 176.870 -0.057 0.000 1.135 40 L CA -1.990 52.790 54.840 -0.100 0.000 0.812 40 L CB 0.453 42.416 42.059 -0.161 0.000 1.431 40 L HN 0.388 nan 8.230 nan 0.000 0.499 41 P HA -0.184 nan 4.420 nan 0.000 0.208 41 P C 0.270 177.565 177.300 -0.008 0.000 1.189 41 P CA 1.429 64.522 63.100 -0.012 0.000 0.931 41 P CB -0.017 31.684 31.700 0.002 0.000 0.783 42 D N 0.254 120.653 120.400 -0.002 0.000 2.332 42 D HA 0.278 4.920 4.640 0.003 0.000 0.244 42 D C 1.218 177.528 176.300 0.017 0.000 1.136 42 D CA 0.864 54.874 54.000 0.017 0.000 0.884 42 D CB -0.214 40.610 40.800 0.039 0.000 0.906 42 D HN 0.381 nan 8.370 nan 0.000 0.520 43 G N 1.272 110.068 108.800 -0.006 0.000 2.355 43 G HA2 -0.072 3.890 3.960 0.003 0.000 0.619 43 G HA3 -0.072 3.890 3.960 0.003 0.000 0.619 43 G C -3.070 171.803 174.900 -0.045 0.000 1.337 43 G CA -1.177 43.917 45.100 -0.010 0.000 0.993 43 G HN -0.151 nan 8.290 nan 0.000 0.599 44 P HA 0.504 nan 4.420 nan 0.000 0.271 44 P C -0.415 176.818 177.300 -0.111 0.000 1.216 44 P CA -0.122 62.898 63.100 -0.133 0.000 0.771 44 P CB 1.563 33.162 31.700 -0.169 0.000 0.864 45 V N 3.415 123.223 119.914 -0.176 0.000 2.709 45 V HA 0.323 4.445 4.120 0.003 0.000 0.308 45 V C -0.560 175.450 176.094 -0.141 0.000 1.062 45 V CA -0.535 61.709 62.300 -0.095 0.000 0.901 45 V CB 1.699 33.449 31.823 -0.122 0.000 1.003 45 V HN 0.514 nan 8.190 nan 0.000 0.425 46 W N 4.346 125.596 121.300 -0.085 0.000 2.376 46 W HA 0.692 5.354 4.660 0.003 0.000 0.322 46 W C -0.346 176.120 176.519 -0.088 0.000 1.160 46 W CA -0.403 56.901 57.345 -0.068 0.000 1.218 46 W CB 1.167 30.593 29.460 -0.056 0.000 1.205 46 W HN 0.378 nan 8.180 nan 0.000 0.559 47 L N 4.506 125.827 121.223 0.164 0.000 2.343 47 L HA 0.525 4.867 4.340 0.003 0.000 0.278 47 L C -1.352 175.556 176.870 0.064 0.000 0.996 47 L CA -0.781 54.111 54.840 0.086 0.000 0.831 47 L CB 0.553 42.684 42.059 0.120 0.000 1.232 47 L HN 0.180 nan 8.230 nan 0.000 0.413 48 L N 4.494 125.692 121.223 -0.042 0.000 2.276 48 L HA 0.538 4.880 4.340 0.003 0.000 0.286 48 L C 1.228 178.042 176.870 -0.095 0.000 1.061 48 L CA 0.430 55.201 54.840 -0.115 0.000 0.807 48 L CB 1.383 43.255 42.059 -0.312 0.000 1.177 48 L HN 0.849 nan 8.230 nan 0.000 0.429 49 T N -1.025 113.500 114.554 -0.048 0.000 2.975 49 T HA 0.284 4.636 4.350 0.003 0.000 0.261 49 T C 0.867 175.561 174.700 -0.010 0.000 0.984 49 T CA -0.349 61.727 62.100 -0.038 0.000 0.911 49 T CB 0.138 69.016 68.868 0.017 0.000 1.127 49 T HN 0.306 nan 8.240 nan 0.000 0.514 50 R N 0.554 121.056 120.500 0.002 0.000 2.390 50 R HA 0.386 4.728 4.340 0.003 0.000 0.291 50 R C 0.640 176.965 176.300 0.041 0.000 1.070 50 R CA -0.528 55.604 56.100 0.054 0.000 1.014 50 R CB 0.563 30.905 30.300 0.069 0.000 1.007 50 R HN 0.202 nan 8.270 nan 0.000 0.466 51 Y N 2.892 123.172 120.300 -0.033 0.000 2.097 51 Y HA -0.333 4.219 4.550 0.004 0.000 0.282 51 Y C 2.057 177.892 175.900 -0.107 0.000 1.152 51 Y CA 2.346 60.382 58.100 -0.107 0.000 1.136 51 Y CB -0.093 38.302 38.460 -0.109 0.000 0.975 51 Y HN 0.773 nan 8.280 nan 0.000 0.498 52 A N 0.083 122.952 122.820 0.082 0.000 1.902 52 A HA -0.202 4.120 4.320 0.003 0.000 0.217 52 A C 1.909 179.471 177.584 -0.037 0.000 1.181 52 A CA 2.012 54.060 52.037 0.019 0.000 0.623 52 A CB -0.906 18.165 19.000 0.118 0.000 0.818 52 A HN 0.562 nan 8.150 nan 0.000 0.443 53 D N -0.287 120.106 120.400 -0.012 0.000 2.104 53 D HA -0.115 4.527 4.640 0.003 0.000 0.194 53 D C 2.068 178.228 176.300 -0.232 0.000 0.994 53 D CA 1.521 55.493 54.000 -0.046 0.000 0.830 53 D CB -0.528 40.211 40.800 -0.102 0.000 0.959 53 D HN 0.203 nan 8.370 nan 0.000 0.452 54 V N 1.364 121.123 119.914 -0.259 0.000 2.307 54 V HA -0.199 3.923 4.120 0.003 0.000 0.245 54 V C 2.529 178.538 176.094 -0.142 0.000 1.045 54 V CA 1.359 63.486 62.300 -0.289 0.000 1.024 54 V CB -0.285 31.396 31.823 -0.237 0.000 0.651 54 V HN 0.141 nan 8.190 nan 0.000 0.449 55 R N 0.741 121.093 120.500 -0.246 0.000 2.096 55 R HA -0.234 4.108 4.340 0.003 0.000 0.240 55 R C 2.286 178.654 176.300 0.114 0.000 1.139 55 R CA 2.141 58.143 56.100 -0.163 0.000 0.952 55 R CB -0.672 29.295 30.300 -0.554 0.000 0.854 55 R HN 0.879 nan 8.270 nan 0.000 0.436 56 E N 0.298 120.530 120.200 0.053 0.000 2.158 56 E HA -0.007 4.345 4.350 0.003 0.000 0.191 56 E C 1.914 178.599 176.600 0.141 0.000 0.982 56 E CA 0.906 57.384 56.400 0.129 0.000 0.823 56 E CB -0.215 29.561 29.700 0.128 0.000 0.766 56 E HN 0.215 nan 8.360 nan 0.000 0.468 57 A N 0.932 123.786 122.820 0.057 0.000 1.972 57 A HA -0.092 4.230 4.320 0.003 0.000 0.219 57 A C 1.884 179.426 177.584 -0.071 0.000 1.169 57 A CA 1.000 53.011 52.037 -0.044 0.000 0.635 57 A CB -0.951 17.824 19.000 -0.375 0.000 0.810 57 A HN 0.361 nan 8.150 nan 0.000 0.446 58 F N -0.634 119.309 119.950 -0.012 0.000 2.269 58 F HA -0.141 4.388 4.527 0.003 0.000 0.301 58 F C 2.223 178.019 175.800 -0.006 0.000 1.082 58 F CA 1.267 59.271 58.000 0.007 0.000 1.360 58 F CB 0.143 39.181 39.000 0.064 0.000 1.041 58 F HN 0.074 nan 8.300 nan 0.000 0.512 59 V N -1.697 118.329 119.914 0.187 0.000 2.500 59 V HA -0.130 3.992 4.120 0.003 0.000 0.243 59 V C 0.484 176.610 176.094 0.053 0.000 1.039 59 V CA 0.656 62.997 62.300 0.068 0.000 1.053 59 V CB -0.353 31.498 31.823 0.047 0.000 0.695 59 V HN 0.035 nan 8.190 nan 0.000 0.463 60 D N 2.053 122.490 120.400 0.063 0.000 2.389 60 D HA 0.023 4.665 4.640 0.003 0.000 0.263 60 D C -1.481 174.834 176.300 0.024 0.000 1.255 60 D CA -1.699 52.324 54.000 0.038 0.000 0.914 60 D CB 1.620 42.451 40.800 0.052 0.000 1.116 60 D HN 0.197 nan 8.370 nan 0.000 0.502 61 P HA -0.040 nan 4.420 nan 0.000 0.237 61 P C 0.946 178.239 177.300 -0.011 0.000 1.178 61 P CA 0.412 63.520 63.100 0.014 0.000 0.766 61 P CB 0.279 31.988 31.700 0.015 0.000 0.876 62 R N -0.703 119.779 120.500 -0.031 0.000 2.237 62 R HA 0.053 4.395 4.340 0.003 0.000 0.219 62 R C 0.646 176.897 176.300 -0.081 0.000 1.080 62 R CA 0.416 56.472 56.100 -0.074 0.000 0.995 62 R CB -0.221 30.036 30.300 -0.072 0.000 0.875 62 R HN 0.175 nan 8.270 nan 0.000 0.462 63 L N 1.680 122.882 121.223 -0.035 0.000 2.353 63 L HA 0.208 4.550 4.340 0.003 0.000 0.269 63 L C 0.093 176.964 176.870 0.003 0.000 1.085 63 L CA 0.195 55.016 54.840 -0.032 0.000 0.938 63 L CB 0.772 42.804 42.059 -0.046 0.000 1.312 63 L HN -0.005 nan 8.230 nan 0.000 0.429 64 S N 2.179 117.905 115.700 0.043 0.000 2.646 64 S HA 0.350 4.822 4.470 0.003 0.000 0.276 64 S C 1.100 175.857 174.600 0.260 0.000 1.222 64 S CA -0.531 57.749 58.200 0.132 0.000 1.014 64 S CB 1.184 64.454 63.200 0.118 0.000 0.991 64 S HN 0.449 nan 8.310 nan 0.000 0.533 65 K N 1.335 121.878 120.400 0.239 0.000 2.393 65 K HA 0.141 4.463 4.320 0.003 0.000 0.193 65 K C -0.170 176.621 176.600 0.319 0.000 1.026 65 K CA 0.107 56.560 56.287 0.277 0.000 1.064 65 K CB -0.298 32.244 32.500 0.069 0.000 0.833 65 K HN 0.567 nan 8.250 nan 0.000 0.521 66 D N 1.465 122.029 120.400 0.273 0.000 2.344 66 D HA -0.053 4.589 4.640 0.003 0.000 0.253 66 D C 1.120 177.346 176.300 -0.124 0.000 1.255 66 D CA -0.403 53.679 54.000 0.137 0.000 0.894 66 D CB 0.368 41.261 40.800 0.154 0.000 1.067 66 D HN 0.111 nan 8.370 nan 0.000 0.492 67 W N 5.287 126.135 121.300 -0.753 0.000 2.538 67 W HA -0.057 4.604 4.660 0.003 0.000 0.254 67 W C 0.942 177.026 176.519 -0.726 0.000 1.249 67 W CA 0.011 56.502 57.345 -1.422 0.000 1.253 67 W CB -1.026 27.931 29.460 -0.838 0.000 1.130 67 W HN 0.378 nan 8.180 nan 0.000 0.618 68 R N -0.127 120.181 120.500 -0.320 0.000 2.285 68 R HA -0.094 4.248 4.340 0.003 0.000 0.213 68 R C 1.578 177.670 176.300 -0.347 0.000 1.068 68 R CA 1.285 57.142 56.100 -0.405 0.000 1.004 68 R CB -0.745 29.374 30.300 -0.302 0.000 0.873 68 R HN 0.350 nan 8.270 nan 0.000 0.467 69 H N 0.078 119.056 119.070 -0.153 0.000 2.518 69 H HA -0.020 4.538 4.556 0.004 0.000 0.289 69 H C 1.658 176.973 175.328 -0.021 0.000 1.051 69 H CA 1.008 57.029 56.048 -0.046 0.000 1.280 69 H CB 0.138 29.929 29.762 0.049 0.000 1.380 69 H HN 0.093 nan 8.280 nan 0.000 0.566 70 R N 0.151 120.654 120.500 0.004 0.000 2.235 70 R HA 0.048 4.390 4.340 0.003 0.000 0.213 70 R C -0.047 176.230 176.300 -0.038 0.000 1.059 70 R CA 0.359 56.478 56.100 0.031 0.000 0.997 70 R CB 0.153 30.470 30.300 0.029 0.000 0.884 70 R HN 0.221 nan 8.270 nan 0.000 0.462 71 L N 1.127 122.287 121.223 -0.106 0.000 2.375 71 L HA 0.383 4.725 4.340 0.003 0.000 0.268 71 L C -2.198 174.631 176.870 -0.069 0.000 1.058 71 L CA -2.701 52.073 54.840 -0.111 0.000 0.803 71 L CB 0.576 42.529 42.059 -0.177 0.000 1.212 71 L HN -0.304 nan 8.230 nan 0.000 0.451 72 P HA -0.054 nan 4.420 nan 0.000 0.264 72 P C 0.440 177.711 177.300 -0.049 0.000 1.183 72 P CA 0.164 63.241 63.100 -0.037 0.000 0.763 72 P CB 0.570 32.249 31.700 -0.035 0.000 0.807 73 E N 2.621 122.803 120.200 -0.031 0.000 2.086 73 E HA -0.318 4.034 4.350 0.003 0.000 0.200 73 E C 0.925 177.498 176.600 -0.046 0.000 1.012 73 E CA 2.185 58.564 56.400 -0.035 0.000 0.812 73 E CB -0.167 29.527 29.700 -0.011 0.000 0.743 73 E HN 0.599 nan 8.360 nan 0.000 0.453 74 D N -0.663 119.715 120.400 -0.037 0.000 2.310 74 D HA -0.178 4.464 4.640 0.003 0.000 0.212 74 D C 1.565 177.837 176.300 -0.047 0.000 0.965 74 D CA 0.820 54.798 54.000 -0.036 0.000 0.879 74 D CB -0.157 40.627 40.800 -0.027 0.000 0.921 74 D HN 0.323 nan 8.370 nan 0.000 0.510 75 Q N -0.414 119.349 119.800 -0.062 0.000 2.424 75 Q HA 0.166 4.508 4.340 0.003 0.000 0.204 75 Q C 1.841 177.785 176.000 -0.093 0.000 0.933 75 Q CA 0.048 55.805 55.803 -0.076 0.000 0.929 75 Q CB 0.239 28.925 28.738 -0.087 0.000 1.037 75 Q HN 0.317 nan 8.270 nan 0.000 0.511 76 R N 0.638 121.078 120.500 -0.099 0.000 2.073 76 R HA 0.007 4.349 4.340 0.003 0.000 0.229 76 R C 2.281 178.529 176.300 -0.086 0.000 1.120 76 R CA 1.081 57.108 56.100 -0.122 0.000 0.967 76 R CB -0.319 29.890 30.300 -0.151 0.000 0.862 76 R HN 0.135 nan 8.270 nan 0.000 0.436 77 A N 1.480 124.263 122.820 -0.062 0.000 1.978 77 A HA -0.177 4.145 4.320 0.003 0.000 0.220 77 A C 1.074 178.640 177.584 -0.031 0.000 1.170 77 A CA 1.753 53.767 52.037 -0.039 0.000 0.636 77 A CB -0.168 18.815 19.000 -0.029 0.000 0.810 77 A HN 0.181 nan 8.150 nan 0.000 0.448 78 D N -1.176 119.201 120.400 -0.038 0.000 2.368 78 D HA 0.178 4.820 4.640 0.003 0.000 0.218 78 D C 0.133 176.413 176.300 -0.034 0.000 1.112 78 D CA 0.134 54.116 54.000 -0.030 0.000 0.834 78 D CB 0.188 40.970 40.800 -0.030 0.000 0.953 78 D HN 0.266 nan 8.370 nan 0.000 0.505 79 M N 1.496 121.067 119.600 -0.048 0.000 2.478 79 M HA 0.350 4.832 4.480 0.003 0.000 0.327 79 M C -2.331 173.979 176.300 0.017 0.000 1.187 79 M CA -2.217 53.053 55.300 -0.051 0.000 1.022 79 M CB 1.277 33.794 32.600 -0.138 0.000 1.629 79 M HN -0.278 nan 8.290 nan 0.000 0.461 80 P HA 0.192 nan 4.420 nan 0.000 0.275 80 P C -0.021 177.456 177.300 0.295 0.000 1.228 80 P CA -0.095 63.101 63.100 0.160 0.000 0.786 80 P CB 0.461 32.273 31.700 0.187 0.000 0.927 81 A N 2.572 125.510 122.820 0.197 0.000 2.067 81 A HA 0.035 4.357 4.320 0.003 0.000 0.219 81 A C 1.060 178.724 177.584 0.133 0.000 1.158 81 A CA 1.698 53.851 52.037 0.193 0.000 0.661 81 A CB -0.879 18.172 19.000 0.084 0.000 0.801 81 A HN 0.749 nan 8.150 nan 0.000 0.452 82 T N -6.279 108.270 114.554 -0.008 0.000 2.843 82 T HA 0.531 4.883 4.350 0.003 0.000 0.302 82 T C -2.611 171.763 174.700 -0.544 0.000 1.232 82 T CA -0.882 60.891 62.100 -0.544 0.000 1.009 82 T CB 1.978 70.660 68.868 -0.309 0.000 1.254 82 T HN -0.086 nan 8.240 nan 0.000 0.504 83 P HA 0.157 nan 4.420 nan 0.000 0.231 83 P C 0.368 177.542 177.300 -0.209 0.000 1.168 83 P CA 0.740 63.543 63.100 -0.495 0.000 0.779 83 P CB 0.204 31.544 31.700 -0.599 0.000 0.844 84 T N 0.050 114.478 114.554 -0.210 0.000 3.435 84 T HA 0.294 4.646 4.350 0.003 0.000 0.344 84 T C -3.133 171.519 174.700 -0.080 0.000 1.211 84 T CA -1.593 60.452 62.100 -0.091 0.000 1.104 84 T CB 1.760 70.596 68.868 -0.052 0.000 1.196 84 T HN -0.223 nan 8.240 nan 0.000 0.471 85 P HA 0.209 nan 4.420 nan 0.000 0.232 85 P C -0.098 177.199 177.300 -0.004 0.000 1.738 85 P CA -0.215 62.874 63.100 -0.018 0.000 0.948 85 P CB -0.559 31.144 31.700 0.006 0.000 1.943 86 M N 1.284 120.876 119.600 -0.015 0.000 2.235 86 M HA 0.267 4.749 4.480 0.003 0.000 0.351 86 M C 2.134 178.460 176.300 0.043 0.000 1.178 86 M CA -0.423 54.882 55.300 0.008 0.000 1.143 86 M CB 1.386 33.984 32.600 -0.003 0.000 1.530 86 M HN 0.034 nan 8.290 nan 0.000 0.461 87 M N 1.777 121.423 119.600 0.077 0.000 2.279 87 M HA -0.083 4.399 4.480 0.003 0.000 0.264 87 M C 1.467 177.954 176.300 0.312 0.000 1.062 87 M CA 1.827 57.232 55.300 0.175 0.000 1.099 87 M CB -0.480 32.187 32.600 0.112 0.000 1.394 87 M HN 0.743 nan 8.290 nan 0.000 0.426 88 I N 1.018 121.697 120.570 0.183 0.000 3.001 88 I HA -0.094 4.078 4.170 0.003 0.000 0.268 88 I C 1.063 177.160 176.117 -0.034 0.000 1.267 88 I CA 0.738 62.099 61.300 0.101 0.000 1.472 88 I CB 0.147 38.172 38.000 0.041 0.000 1.089 88 I HN 0.391 nan 8.210 nan 0.000 0.468 89 L N 0.348 121.580 121.223 0.015 0.000 2.769 89 L HA 0.330 4.672 4.340 0.003 0.000 0.240 89 L C -0.016 176.866 176.870 0.021 0.000 1.163 89 L CA -0.117 54.706 54.840 -0.029 0.000 0.962 89 L CB -0.074 41.914 42.059 -0.118 0.000 1.258 89 L HN 0.142 nan 8.230 nan 0.000 0.513 90 M N -0.872 118.802 119.600 0.124 0.000 2.602 90 M HA 0.406 4.888 4.480 0.003 0.000 0.312 90 M C -1.095 175.345 176.300 0.233 0.000 1.181 90 M CA -0.699 54.702 55.300 0.168 0.000 0.910 90 M CB 2.457 35.171 32.600 0.189 0.000 1.723 90 M HN -0.164 nan 8.290 nan 0.000 0.459 91 D N 1.448 121.958 120.400 0.183 0.000 2.387 91 D HA 0.488 5.130 4.640 0.003 0.000 0.255 91 D C -2.379 174.017 176.300 0.160 0.000 1.081 91 D CA -1.296 52.800 54.000 0.161 0.000 0.994 91 D CB 0.582 41.467 40.800 0.141 0.000 1.127 91 D HN 0.160 nan 8.370 nan 0.000 0.513 92 P HA 0.071 nan 4.420 nan 0.000 0.268 92 P C -1.611 175.739 177.300 0.083 0.000 1.208 92 P CA -0.628 62.538 63.100 0.110 0.000 0.777 92 P CB 0.076 31.822 31.700 0.076 0.000 0.875 93 P HA -0.047 nan 4.420 nan 0.000 0.231 93 P C 0.430 177.762 177.300 0.053 0.000 1.168 93 P CA 0.989 64.121 63.100 0.053 0.000 0.779 93 P CB 0.271 31.992 31.700 0.034 0.000 0.844 94 D N -0.732 119.708 120.400 0.067 0.000 2.144 94 D HA -0.175 4.467 4.640 0.003 0.000 0.200 94 D C 1.960 178.297 176.300 0.061 0.000 0.978 94 D CA 0.966 54.999 54.000 0.055 0.000 0.833 94 D CB -0.864 39.972 40.800 0.060 0.000 0.961 94 D HN 0.363 nan 8.370 nan 0.000 0.470 95 H N 0.955 120.040 119.070 0.026 0.000 2.319 95 H HA -0.118 4.440 4.556 0.003 0.000 0.297 95 H C 1.441 176.756 175.328 -0.022 0.000 1.097 95 H CA 2.076 58.132 56.048 0.014 0.000 1.285 95 H CB 0.120 29.881 29.762 -0.001 0.000 1.368 95 H HN 0.039 nan 8.280 nan 0.000 0.495 96 T N 1.071 115.580 114.554 -0.074 0.000 2.684 96 T HA -0.179 4.173 4.350 0.003 0.000 0.267 96 T C 2.147 176.764 174.700 -0.139 0.000 1.036 96 T CA 1.626 63.655 62.100 -0.118 0.000 1.148 96 T CB -0.264 68.602 68.868 -0.004 0.000 0.863 96 T HN 0.388 nan 8.240 nan 0.000 0.436 97 R N 0.725 121.177 120.500 -0.080 0.000 2.080 97 R HA -0.029 4.313 4.340 0.003 0.000 0.236 97 R C 2.418 178.669 176.300 -0.081 0.000 1.137 97 R CA 1.343 57.407 56.100 -0.060 0.000 0.943 97 R CB -0.481 29.802 30.300 -0.027 0.000 0.846 97 R HN 0.355 nan 8.270 nan 0.000 0.431 98 L N 0.168 121.330 121.223 -0.101 0.000 2.056 98 L HA -0.121 4.221 4.340 0.003 0.000 0.207 98 L C 2.826 179.617 176.870 -0.132 0.000 1.078 98 L CA 1.285 56.070 54.840 -0.092 0.000 0.749 98 L CB -0.419 41.600 42.059 -0.066 0.000 0.901 98 L HN 0.195 nan 8.230 nan 0.000 0.433 99 R N 1.021 121.362 120.500 -0.265 0.000 2.073 99 R HA -0.200 4.142 4.340 0.003 0.000 0.234 99 R C 2.218 178.443 176.300 -0.126 0.000 1.134 99 R CA 1.726 57.672 56.100 -0.257 0.000 0.952 99 R CB -0.391 29.603 30.300 -0.509 0.000 0.850 99 R HN 0.158 nan 8.270 nan 0.000 0.433 100 K N -0.296 120.035 120.400 -0.115 0.000 2.103 100 K HA -0.162 4.160 4.320 0.003 0.000 0.207 100 K C 1.869 178.454 176.600 -0.025 0.000 1.048 100 K CA 1.575 57.828 56.287 -0.055 0.000 0.930 100 K CB -0.253 32.216 32.500 -0.051 0.000 0.716 100 K HN 0.221 nan 8.250 nan 0.000 0.444 101 L N 0.408 121.614 121.223 -0.028 0.000 2.093 101 L HA -0.085 4.257 4.340 0.003 0.000 0.208 101 L C 1.947 178.832 176.870 0.025 0.000 1.085 101 L CA 1.373 56.210 54.840 -0.005 0.000 0.755 101 L CB -0.213 41.840 42.059 -0.010 0.000 0.904 101 L HN 0.067 nan 8.230 nan 0.000 0.435 102 V N -0.860 119.079 119.914 0.041 0.000 3.471 102 V HA 0.208 4.330 4.120 0.003 0.000 0.258 102 V C 2.216 178.433 176.094 0.206 0.000 1.192 102 V CA 0.898 63.275 62.300 0.128 0.000 1.116 102 V CB -0.005 31.889 31.823 0.118 0.000 0.792 102 V HN 0.519 nan 8.190 nan 0.000 0.459 103 G N 0.725 109.589 108.800 0.107 0.000 2.469 103 G HA2 -0.284 3.678 3.960 0.003 0.000 0.219 103 G HA3 -0.284 3.678 3.960 0.003 0.000 0.219 103 G C 1.605 176.587 174.900 0.137 0.000 1.150 103 G CA 1.028 46.198 45.100 0.117 0.000 0.763 103 G HN 0.526 nan 8.290 nan 0.000 0.561 104 R N 0.393 120.941 120.500 0.080 0.000 2.152 104 R HA 0.016 4.358 4.340 0.003 0.000 0.232 104 R C 2.647 178.956 176.300 0.014 0.000 1.117 104 R CA 1.145 57.270 56.100 0.041 0.000 0.981 104 R CB -0.197 30.111 30.300 0.014 0.000 0.870 104 R HN 0.266 nan 8.270 nan 0.000 0.451 105 S N -0.086 115.619 115.700 0.010 0.000 2.555 105 S HA 0.028 4.500 4.470 0.003 0.000 0.230 105 S C 0.500 174.836 174.600 -0.439 0.000 0.978 105 S CA 0.748 58.829 58.200 -0.199 0.000 0.934 105 S CB 0.097 63.153 63.200 -0.240 0.000 0.766 105 S HN 0.222 nan 8.310 nan 0.000 0.533 106 F N 1.273 121.216 119.950 -0.013 0.000 2.772 106 F HA 0.175 4.704 4.527 0.003 0.000 0.316 106 F C 1.258 177.051 175.800 -0.012 0.000 1.114 106 F CA -0.604 57.387 58.000 -0.015 0.000 1.191 106 F CB -0.103 38.886 39.000 -0.018 0.000 1.065 106 F HN -0.000 nan 8.300 nan 0.000 0.534 107 T N -2.385 112.226 114.554 0.096 0.000 2.795 107 T HA 0.063 4.415 4.350 0.003 0.000 0.314 107 T C 1.512 176.239 174.700 0.045 0.000 1.069 107 T CA -0.395 61.742 62.100 0.063 0.000 1.071 107 T CB 1.195 70.081 68.868 0.030 0.000 0.988 107 T HN -0.059 nan 8.240 nan 0.000 0.543 108 V N 1.530 121.468 119.914 0.040 0.000 2.392 108 V HA -0.153 3.969 4.120 0.003 0.000 0.249 108 V C 2.970 179.075 176.094 0.019 0.000 1.059 108 V CA 2.351 64.671 62.300 0.034 0.000 1.051 108 V CB -1.106 30.737 31.823 0.034 0.000 0.658 108 V HN 0.943 nan 8.190 nan 0.000 0.455 109 R N -0.047 120.460 120.500 0.010 0.000 2.070 109 R HA -0.131 4.211 4.340 0.003 0.000 0.233 109 R C 2.568 178.860 176.300 -0.013 0.000 1.137 109 R CA 1.451 57.551 56.100 -0.000 0.000 0.945 109 R CB -0.230 30.069 30.300 -0.002 0.000 0.845 109 R HN 0.288 nan 8.270 nan 0.000 0.430 110 R N -0.071 120.414 120.500 -0.026 0.000 2.081 110 R HA -0.086 4.256 4.340 0.003 0.000 0.235 110 R C 2.179 178.445 176.300 -0.057 0.000 1.131 110 R CA 1.435 57.501 56.100 -0.057 0.000 0.960 110 R CB -0.475 29.765 30.300 -0.099 0.000 0.856 110 R HN 0.356 nan 8.270 nan 0.000 0.436 111 M N 0.877 120.457 119.600 -0.034 0.000 2.132 111 M HA -0.100 4.382 4.480 0.003 0.000 0.263 111 M C 1.609 177.906 176.300 -0.006 0.000 1.065 111 M CA 1.222 56.512 55.300 -0.017 0.000 1.122 111 M CB -1.215 31.400 32.600 0.025 0.000 1.365 111 M HN 0.026 nan 8.290 nan 0.000 0.411 112 N N 0.990 119.691 118.700 0.002 0.000 2.137 112 N HA -0.172 4.570 4.740 0.003 0.000 0.190 112 N C 1.484 176.992 175.510 -0.002 0.000 1.017 112 N CA 1.202 54.255 53.050 0.005 0.000 0.859 112 N CB -0.325 38.167 38.487 0.009 0.000 1.002 112 N HN 0.520 nan 8.380 nan 0.000 0.428 113 E N 0.061 120.253 120.200 -0.013 0.000 2.333 113 E HA -0.062 4.290 4.350 0.003 0.000 0.198 113 E C 1.385 177.973 176.600 -0.019 0.000 1.007 113 E CA 0.364 56.754 56.400 -0.018 0.000 0.845 113 E CB -0.006 29.678 29.700 -0.027 0.000 0.766 113 E HN 0.379 nan 8.360 nan 0.000 0.507 114 L N 0.320 121.531 121.223 -0.020 0.000 2.558 114 L HA 0.001 4.343 4.340 0.003 0.000 0.225 114 L C 2.287 179.153 176.870 -0.006 0.000 1.128 114 L CA 0.202 55.031 54.840 -0.019 0.000 0.868 114 L CB -0.059 41.983 42.059 -0.027 0.000 1.006 114 L HN 0.133 nan 8.230 nan 0.000 0.454 115 E N 1.197 121.398 120.200 0.001 0.000 2.058 115 E HA -0.219 4.133 4.350 0.003 0.000 0.194 115 E C -0.599 176.007 176.600 0.011 0.000 0.997 115 E CA 1.369 57.776 56.400 0.010 0.000 0.801 115 E CB -0.421 29.289 29.700 0.016 0.000 0.746 115 E HN 0.303 nan 8.360 nan 0.000 0.450 116 P HA -0.183 nan 4.420 nan 0.000 0.215 116 P C 1.079 178.383 177.300 0.007 0.000 1.153 116 P CA 1.450 64.555 63.100 0.008 0.000 0.853 116 P CB -0.026 31.677 31.700 0.005 0.000 0.788 117 R N 0.164 120.664 120.500 0.001 0.000 2.066 117 R HA -0.052 4.290 4.340 0.003 0.000 0.232 117 R C 2.176 178.475 176.300 -0.002 0.000 1.131 117 R CA 1.538 57.637 56.100 -0.002 0.000 0.955 117 R CB -1.614 28.681 30.300 -0.009 0.000 0.851 117 R HN 0.127 nan 8.270 nan 0.000 0.432 118 I N -0.010 120.559 120.570 -0.002 0.000 2.208 118 I HA -0.318 3.854 4.170 0.003 0.000 0.245 118 I C 1.883 178.004 176.117 0.007 0.000 1.097 118 I CA 1.979 63.276 61.300 -0.004 0.000 1.363 118 I CB -0.525 37.475 38.000 0.000 0.000 1.051 118 I HN 0.233 nan 8.210 nan 0.000 0.413 119 T N -0.262 114.303 114.554 0.019 0.000 2.708 119 T HA -0.250 4.102 4.350 0.003 0.000 0.266 119 T C 1.810 176.530 174.700 0.033 0.000 1.037 119 T CA 1.608 63.728 62.100 0.032 0.000 1.146 119 T CB -0.302 68.585 68.868 0.032 0.000 0.865 119 T HN 0.427 nan 8.240 nan 0.000 0.435 120 E N 0.519 120.732 120.200 0.022 0.000 2.058 120 E HA -0.135 4.217 4.350 0.003 0.000 0.194 120 E C 2.169 178.783 176.600 0.023 0.000 0.997 120 E CA 1.061 57.474 56.400 0.021 0.000 0.801 120 E CB -0.242 29.466 29.700 0.013 0.000 0.746 120 E HN 0.488 nan 8.360 nan 0.000 0.450 121 I N 0.851 121.429 120.570 0.013 0.000 2.127 121 I HA -0.314 3.858 4.170 0.003 0.000 0.241 121 I C 2.626 178.757 176.117 0.024 0.000 1.075 121 I CA 1.216 62.519 61.300 0.005 0.000 1.334 121 I CB -0.432 37.554 38.000 -0.022 0.000 1.040 121 I HN 0.188 nan 8.210 nan 0.000 0.405 122 A N 0.431 123.270 122.820 0.031 0.000 1.883 122 A HA -0.272 4.050 4.320 0.003 0.000 0.217 122 A C 1.962 179.639 177.584 0.155 0.000 1.186 122 A CA 2.319 54.416 52.037 0.100 0.000 0.624 122 A CB -0.687 18.378 19.000 0.108 0.000 0.822 122 A HN 0.383 nan 8.150 nan 0.000 0.444 123 D N -0.508 119.949 120.400 0.094 0.000 2.117 123 D HA -0.058 4.584 4.640 0.003 0.000 0.198 123 D C 2.118 178.457 176.300 0.065 0.000 0.982 123 D CA 1.401 55.446 54.000 0.075 0.000 0.828 123 D CB -0.773 40.057 40.800 0.051 0.000 0.967 123 D HN 0.428 nan 8.370 nan 0.000 0.464 124 G N 0.770 109.604 108.800 0.057 0.000 2.440 124 G HA2 -0.215 3.747 3.960 0.003 0.000 0.218 124 G HA3 -0.215 3.747 3.960 0.003 0.000 0.218 124 G C 1.767 176.704 174.900 0.063 0.000 1.154 124 G CA 0.456 45.584 45.100 0.047 0.000 0.767 124 G HN 0.264 nan 8.290 nan 0.000 0.552 125 L N -0.232 121.052 121.223 0.103 0.000 2.056 125 L HA 0.066 4.408 4.340 0.003 0.000 0.207 125 L C 2.858 179.797 176.870 0.114 0.000 1.078 125 L CA 0.385 55.310 54.840 0.142 0.000 0.749 125 L CB -0.382 41.825 42.059 0.248 0.000 0.901 125 L HN 0.160 nan 8.230 nan 0.000 0.433 126 L N -0.235 121.050 121.223 0.104 0.000 2.083 126 L HA -0.172 4.170 4.340 0.003 0.000 0.209 126 L C 2.848 179.711 176.870 -0.012 0.000 1.083 126 L CA 1.078 55.915 54.840 -0.004 0.000 0.752 126 L CB -0.711 41.342 42.059 -0.011 0.000 0.899 126 L HN 0.236 nan 8.230 nan 0.000 0.433 127 A N 0.075 122.902 122.820 0.013 0.000 1.969 127 A HA -0.079 4.243 4.320 0.003 0.000 0.218 127 A C 2.237 179.822 177.584 0.002 0.000 1.169 127 A CA 1.580 53.620 52.037 0.005 0.000 0.635 127 A CB -0.898 18.110 19.000 0.013 0.000 0.810 127 A HN 0.441 nan 8.150 nan 0.000 0.445 128 G N -1.220 107.587 108.800 0.012 0.000 2.985 128 G HA2 0.382 4.344 3.960 0.003 0.000 0.209 128 G HA3 0.382 4.344 3.960 0.003 0.000 0.209 128 G C 0.369 175.270 174.900 0.000 0.000 1.165 128 G CA -0.227 44.879 45.100 0.010 0.000 0.776 128 G HN 0.361 nan 8.290 nan 0.000 0.541 129 L N 1.246 122.460 121.223 -0.014 0.000 2.307 129 L HA 0.351 4.693 4.340 0.003 0.000 0.282 129 L C -2.080 174.765 176.870 -0.041 0.000 1.051 129 L CA -2.029 52.792 54.840 -0.031 0.000 0.804 129 L CB 1.780 43.803 42.059 -0.061 0.000 1.197 129 L HN -0.123 nan 8.230 nan 0.000 0.431 130 P HA 0.018 nan 4.420 nan 0.000 0.265 130 P C 0.357 177.628 177.300 -0.050 0.000 1.187 130 P CA 0.087 63.164 63.100 -0.038 0.000 0.766 130 P CB 0.659 32.338 31.700 -0.034 0.000 0.820 131 T N -0.248 114.280 114.554 -0.043 0.000 2.978 131 T HA 0.016 4.368 4.350 0.003 0.000 0.262 131 T C 0.251 174.924 174.700 -0.044 0.000 1.063 131 T CA 1.147 63.219 62.100 -0.047 0.000 1.140 131 T CB -0.171 68.674 68.868 -0.038 0.000 0.886 131 T HN 0.436 nan 8.240 nan 0.000 0.470 132 D N -0.565 119.813 120.400 -0.037 0.000 2.457 132 D HA 0.591 5.233 4.640 0.003 0.000 0.240 132 D C 0.663 176.943 176.300 -0.032 0.000 1.041 132 D CA 0.401 54.381 54.000 -0.033 0.000 0.861 132 D CB 1.640 42.424 40.800 -0.026 0.000 1.394 132 D HN 0.272 nan 8.370 nan 0.000 0.473 133 G N 1.860 110.641 108.800 -0.032 0.000 2.499 133 G HA2 -0.126 3.836 3.960 0.003 0.000 0.232 133 G HA3 -0.126 3.836 3.960 0.003 0.000 0.232 133 G C -2.578 172.302 174.900 -0.033 0.000 1.251 133 G CA -0.882 44.200 45.100 -0.029 0.000 0.917 133 G HN 0.551 nan 8.290 nan 0.000 0.580 134 P HA 0.584 nan 4.420 nan 0.000 0.297 134 P C -0.488 176.793 177.300 -0.032 0.000 1.331 134 P CA -0.328 62.753 63.100 -0.031 0.000 0.803 134 P CB 1.257 32.941 31.700 -0.027 0.000 0.929 135 V N -0.035 119.857 119.914 -0.037 0.000 2.686 135 V HA 0.453 4.575 4.120 0.003 0.000 0.306 135 V C -0.482 175.594 176.094 -0.031 0.000 1.065 135 V CA -0.893 61.387 62.300 -0.034 0.000 0.894 135 V CB 2.151 33.948 31.823 -0.043 0.000 1.004 135 V HN 0.353 nan 8.190 nan 0.000 0.424 136 D N 3.324 123.711 120.400 -0.022 0.000 2.422 136 D HA 0.225 4.867 4.640 0.003 0.000 0.227 136 D C 0.813 177.118 176.300 0.009 0.000 1.190 136 D CA -0.354 53.635 54.000 -0.019 0.000 0.905 136 D CB 1.401 42.183 40.800 -0.030 0.000 1.034 136 D HN 0.542 nan 8.370 nan 0.000 0.507 137 L N 4.630 125.859 121.223 0.011 0.000 2.081 137 L HA -0.223 4.119 4.340 0.003 0.000 0.212 137 L C 1.804 178.746 176.870 0.119 0.000 1.080 137 L CA 1.638 56.513 54.840 0.059 0.000 0.754 137 L CB -0.370 41.706 42.059 0.028 0.000 0.893 137 L HN 0.494 nan 8.230 nan 0.000 0.433 138 M N -0.991 118.649 119.600 0.067 0.000 2.200 138 M HA -0.216 4.266 4.480 0.003 0.000 0.261 138 M C 2.423 178.784 176.300 0.101 0.000 1.074 138 M CA 1.818 57.164 55.300 0.077 0.000 1.098 138 M CB -1.625 30.984 32.600 0.015 0.000 1.268 138 M HN 0.193 nan 8.290 nan 0.000 0.432 139 R N 1.113 121.621 120.500 0.014 0.000 2.103 139 R HA -0.146 4.196 4.340 0.003 0.000 0.242 139 R C 1.804 178.169 176.300 0.109 0.000 1.142 139 R CA 1.781 57.870 56.100 -0.017 0.000 0.960 139 R CB -0.581 29.660 30.300 -0.099 0.000 0.858 139 R HN 0.508 nan 8.270 nan 0.000 0.439 140 E N -1.935 118.330 120.200 0.108 0.000 2.371 140 E HA -0.098 4.254 4.350 0.003 0.000 0.194 140 E C 0.823 177.555 176.600 0.221 0.000 1.012 140 E CA 0.899 57.377 56.400 0.131 0.000 0.860 140 E CB 0.154 29.909 29.700 0.090 0.000 0.811 140 E HN 0.492 nan 8.360 nan 0.000 0.502 141 Y N -0.429 119.908 120.300 0.061 0.000 3.324 141 Y HA 0.280 4.832 4.550 0.003 0.000 0.187 141 Y C 2.203 178.141 175.900 0.064 0.000 0.920 141 Y CA 0.715 58.842 58.100 0.046 0.000 1.710 141 Y CB -0.232 38.239 38.460 0.018 0.000 1.461 141 Y HN -0.087 nan 8.280 nan 0.000 0.360 142 A N 0.583 123.441 122.820 0.063 0.000 1.908 142 A HA -0.233 4.089 4.320 0.003 0.000 0.218 142 A C 1.958 179.549 177.584 0.010 0.000 1.181 142 A CA 2.036 54.070 52.037 -0.004 0.000 0.627 142 A CB -1.349 17.721 19.000 0.118 0.000 0.818 142 A HN 0.668 nan 8.150 nan 0.000 0.445 143 F N 0.239 120.155 119.950 -0.057 0.000 2.163 143 F HA -0.120 4.409 4.527 0.003 0.000 0.297 143 F C 2.492 178.234 175.800 -0.096 0.000 1.094 143 F CA 1.803 59.769 58.000 -0.056 0.000 1.290 143 F CB -0.139 38.847 39.000 -0.024 0.000 1.017 143 F HN 0.170 nan 8.300 nan 0.000 0.483 144 Q N 0.741 120.518 119.800 -0.038 0.000 2.084 144 Q HA -0.174 4.168 4.340 0.003 0.000 0.202 144 Q C 2.471 178.332 176.000 -0.231 0.000 0.978 144 Q CA 2.041 57.766 55.803 -0.131 0.000 0.844 144 Q CB -0.654 28.081 28.738 -0.005 0.000 0.898 144 Q HN 0.525 nan 8.270 nan 0.000 0.426 145 I N 1.445 121.862 120.570 -0.256 0.000 2.113 145 I HA -0.233 3.939 4.170 0.003 0.000 0.238 145 I C -0.607 175.387 176.117 -0.205 0.000 1.070 145 I CA 1.296 62.457 61.300 -0.232 0.000 1.332 145 I CB -1.671 36.160 38.000 -0.281 0.000 1.044 145 I HN 0.149 nan 8.210 nan 0.000 0.402 146 P HA -0.103 nan 4.420 nan 0.000 0.217 146 P C 1.992 179.120 177.300 -0.287 0.000 1.150 146 P CA 1.343 64.324 63.100 -0.198 0.000 0.832 146 P CB -0.095 31.504 31.700 -0.169 0.000 0.787 147 V N 0.307 119.931 119.914 -0.484 0.000 2.295 147 V HA -0.245 3.877 4.120 0.003 0.000 0.246 147 V C 2.962 178.885 176.094 -0.286 0.000 1.049 147 V CA 1.984 63.922 62.300 -0.603 0.000 1.024 147 V CB -1.341 29.894 31.823 -0.979 0.000 0.648 147 V HN 0.130 nan 8.190 nan 0.000 0.447 148 Q N -0.411 119.263 119.800 -0.210 0.000 2.084 148 Q HA -0.180 4.162 4.340 0.003 0.000 0.202 148 Q C 2.247 178.206 176.000 -0.070 0.000 0.978 148 Q CA 2.092 57.834 55.803 -0.100 0.000 0.844 148 Q CB -0.111 28.578 28.738 -0.082 0.000 0.898 148 Q HN 0.519 nan 8.270 nan 0.000 0.426 149 V N 0.607 120.470 119.914 -0.085 0.000 2.287 149 V HA -0.273 3.849 4.120 0.003 0.000 0.248 149 V C 2.193 178.268 176.094 -0.032 0.000 1.053 149 V CA 1.669 63.939 62.300 -0.051 0.000 1.027 149 V CB -0.492 31.302 31.823 -0.048 0.000 0.646 149 V HN 0.422 nan 8.190 nan 0.000 0.447 150 I N -0.551 119.992 120.570 -0.044 0.000 2.394 150 I HA -0.202 3.970 4.170 0.003 0.000 0.251 150 I C 2.333 178.460 176.117 0.016 0.000 1.136 150 I CA 1.400 62.699 61.300 -0.001 0.000 1.425 150 I CB -0.393 37.609 38.000 0.002 0.000 1.079 150 I HN 0.329 nan 8.210 nan 0.000 0.425 151 C N 0.154 119.466 119.300 0.020 0.000 2.425 151 C HA -0.130 4.332 4.460 0.003 0.000 0.277 151 C C 2.574 177.590 174.990 0.043 0.000 1.280 151 C CA 0.857 59.916 59.018 0.068 0.000 1.744 151 C CB -1.156 26.659 27.740 0.125 0.000 1.989 151 C HN 0.512 nan 8.230 nan 0.000 0.491 152 E N 0.255 120.466 120.200 0.018 0.000 2.107 152 E HA -0.179 4.173 4.350 0.003 0.000 0.191 152 E C 1.990 178.587 176.600 -0.006 0.000 0.982 152 E CA 0.790 57.194 56.400 0.007 0.000 0.809 152 E CB -0.213 29.485 29.700 -0.005 0.000 0.756 152 E HN 0.463 nan 8.360 nan 0.000 0.459 153 L N 0.659 121.875 121.223 -0.012 0.000 2.056 153 L HA -0.114 4.228 4.340 0.003 0.000 0.207 153 L C 1.841 178.700 176.870 -0.019 0.000 1.078 153 L CA 1.600 56.420 54.840 -0.033 0.000 0.749 153 L CB -0.116 41.922 42.059 -0.035 0.000 0.901 153 L HN 0.110 nan 8.230 nan 0.000 0.433 154 L N -0.928 120.301 121.223 0.010 0.000 2.249 154 L HA 0.255 4.597 4.340 0.003 0.000 0.207 154 L C 1.268 178.144 176.870 0.010 0.000 1.090 154 L CA 0.629 55.478 54.840 0.015 0.000 0.802 154 L CB -0.481 41.589 42.059 0.019 0.000 0.947 154 L HN 0.500 nan 8.230 nan 0.000 0.453 155 G N 1.198 110.010 108.800 0.019 0.000 2.270 155 G HA2 -0.196 3.766 3.960 0.003 0.000 0.224 155 G HA3 -0.196 3.766 3.960 0.003 0.000 0.224 155 G C -0.271 174.663 174.900 0.057 0.000 1.079 155 G CA -0.506 44.612 45.100 0.030 0.000 0.807 155 G HN 0.134 nan 8.290 nan 0.000 0.492 156 L N 0.369 121.643 121.223 0.084 0.000 2.276 156 L HA 0.448 4.790 4.340 0.003 0.000 0.286 156 L C -1.800 175.214 176.870 0.239 0.000 1.061 156 L CA -2.218 52.720 54.840 0.164 0.000 0.807 156 L CB 1.174 43.297 42.059 0.107 0.000 1.177 156 L HN -0.076 nan 8.230 nan 0.000 0.429 157 P HA 0.028 nan 4.420 nan 0.000 0.267 157 P C 0.321 177.756 177.300 0.224 0.000 1.205 157 P CA -0.025 63.208 63.100 0.222 0.000 0.765 157 P CB 1.149 32.986 31.700 0.228 0.000 0.828 158 A N 4.561 127.460 122.820 0.133 0.000 2.019 158 A HA -0.197 4.125 4.320 0.003 0.000 0.219 158 A C 1.867 179.462 177.584 0.017 0.000 1.164 158 A CA 1.380 53.464 52.037 0.077 0.000 0.644 158 A CB -0.809 18.221 19.000 0.049 0.000 0.805 158 A HN 0.667 nan 8.150 nan 0.000 0.449 159 E N 0.184 120.404 120.200 0.035 0.000 2.204 159 E HA -0.211 4.141 4.350 0.003 0.000 0.195 159 E C 0.178 176.743 176.600 -0.057 0.000 0.990 159 E CA 1.447 57.846 56.400 -0.001 0.000 0.821 159 E CB -0.460 29.258 29.700 0.029 0.000 0.750 159 E HN 0.536 nan 8.360 nan 0.000 0.477 160 D N 0.691 121.063 120.400 -0.046 0.000 2.350 160 D HA 0.075 4.717 4.640 0.003 0.000 0.213 160 D C 1.785 177.583 176.300 -0.837 0.000 1.031 160 D CA -0.037 53.843 54.000 -0.200 0.000 0.861 160 D CB -0.059 40.856 40.800 0.191 0.000 0.926 160 D HN 0.175 nan 8.370 nan 0.000 0.520 161 R N 1.379 121.419 120.500 -0.768 0.000 2.122 161 R HA -0.158 4.184 4.340 0.003 0.000 0.236 161 R C 1.683 177.454 176.300 -0.881 0.000 1.129 161 R CA 1.875 57.348 56.100 -1.045 0.000 0.925 161 R CB -0.517 29.594 30.300 -0.315 0.000 0.850 161 R HN 0.375 nan 8.270 nan 0.000 0.431 162 D N 0.607 120.716 120.400 -0.486 0.000 2.242 162 D HA -0.259 4.383 4.640 0.003 0.000 0.190 162 D C 1.171 177.145 176.300 -0.543 0.000 1.012 162 D CA 2.089 55.862 54.000 -0.378 0.000 0.875 162 D CB -0.606 40.033 40.800 -0.268 0.000 0.922 162 D HN 0.343 nan 8.370 nan 0.000 0.448 163 D N 0.276 120.227 120.400 -0.748 0.000 2.091 163 D HA -0.070 4.572 4.640 0.003 0.000 0.199 163 D C 1.975 177.346 176.300 -1.549 0.000 0.980 163 D CA 1.195 54.574 54.000 -1.034 0.000 0.831 163 D CB -0.383 39.879 40.800 -0.897 0.000 0.987 163 D HN 0.448 nan 8.370 nan 0.000 0.460 164 F N 0.590 119.892 119.950 -1.079 0.000 2.456 164 F HA 0.121 4.650 4.527 0.003 0.000 0.298 164 F C 2.157 177.674 175.800 -0.471 0.000 1.104 164 F CA 0.578 58.111 58.000 -0.779 0.000 1.435 164 F CB -1.353 37.388 39.000 -0.431 0.000 1.078 164 F HN -0.097 nan 8.300 nan 0.000 0.546 165 S N 1.134 116.699 115.700 -0.226 0.000 2.382 165 S HA -0.120 4.352 4.470 0.003 0.000 0.228 165 S C 2.197 176.771 174.600 -0.043 0.000 1.027 165 S CA 0.847 59.080 58.200 0.055 0.000 0.991 165 S CB -1.111 62.267 63.200 0.296 0.000 0.823 165 S HN 0.507 nan 8.310 nan 0.000 0.469 166 A N 1.157 123.823 122.820 -0.255 0.000 1.897 166 A HA 0.063 4.385 4.320 0.003 0.000 0.215 166 A C 2.053 179.615 177.584 -0.036 0.000 1.181 166 A CA 1.143 53.061 52.037 -0.197 0.000 0.620 166 A CB -1.053 17.762 19.000 -0.309 0.000 0.821 166 A HN 0.745 nan 8.150 nan 0.000 0.443 167 W N -0.004 121.297 121.300 0.001 0.000 2.381 167 W HA -0.064 4.598 4.660 0.003 0.000 0.301 167 W C 2.887 179.411 176.519 0.009 0.000 1.205 167 W CA 0.840 58.190 57.345 0.008 0.000 1.285 167 W CB -1.531 27.939 29.460 0.016 0.000 1.133 167 W HN 0.434 nan 8.180 nan 0.000 0.521 168 S N 0.837 116.647 115.700 0.184 0.000 2.370 168 S HA -0.190 4.282 4.470 0.003 0.000 0.226 168 S C 2.209 176.880 174.600 0.118 0.000 1.033 168 S CA 2.559 60.822 58.200 0.104 0.000 1.011 168 S CB -0.599 62.579 63.200 -0.036 0.000 0.852 168 S HN 0.244 nan 8.310 nan 0.000 0.457 169 S N 0.628 116.396 115.700 0.114 0.000 2.402 169 S HA -0.020 4.452 4.470 0.003 0.000 0.229 169 S C 1.840 176.486 174.600 0.077 0.000 1.021 169 S CA 1.174 59.432 58.200 0.098 0.000 0.974 169 S CB -0.847 62.390 63.200 0.062 0.000 0.800 169 S HN 0.360 nan 8.310 nan 0.000 0.484 170 V N 2.188 122.154 119.914 0.087 0.000 2.407 170 V HA -0.086 4.036 4.120 0.003 0.000 0.248 170 V C 2.465 178.602 176.094 0.072 0.000 1.055 170 V CA 1.636 63.982 62.300 0.078 0.000 1.049 170 V CB -0.824 31.063 31.823 0.106 0.000 0.662 170 V HN 0.478 nan 8.190 nan 0.000 0.455 171 L N 0.270 121.545 121.223 0.087 0.000 2.217 171 L HA -0.075 4.267 4.340 0.003 0.000 0.211 171 L C 2.290 179.200 176.870 0.067 0.000 1.107 171 L CA 1.303 56.187 54.840 0.074 0.000 0.783 171 L CB -0.466 41.640 42.059 0.079 0.000 0.919 171 L HN 0.465 nan 8.230 nan 0.000 0.442 172 V N -5.219 114.741 119.914 0.075 0.000 3.471 172 V HA 0.159 4.281 4.120 0.003 0.000 0.258 172 V C 0.696 176.831 176.094 0.068 0.000 1.192 172 V CA 0.028 62.375 62.300 0.078 0.000 1.116 172 V CB -0.142 31.740 31.823 0.098 0.000 0.792 172 V HN 0.084 nan 8.190 nan 0.000 0.459 173 D N 2.374 122.803 120.400 0.049 0.000 2.398 173 D HA 0.157 4.799 4.640 0.003 0.000 0.247 173 D C 0.861 177.164 176.300 0.005 0.000 1.227 173 D CA 0.395 54.403 54.000 0.014 0.000 0.980 173 D CB 0.646 41.442 40.800 -0.007 0.000 1.106 173 D HN 0.496 nan 8.370 nan 0.000 0.493 174 D N -0.680 119.698 120.400 -0.038 0.000 2.370 174 D HA -0.090 4.552 4.640 0.003 0.000 0.256 174 D C -0.341 175.951 176.300 -0.013 0.000 1.197 174 D CA -0.038 53.947 54.000 -0.026 0.000 0.922 174 D CB -0.549 40.205 40.800 -0.078 0.000 0.911 174 D HN -0.065 nan 8.370 nan 0.000 0.517 175 S N 1.611 117.309 115.700 -0.003 0.000 2.561 175 S HA 0.077 4.549 4.470 0.003 0.000 0.294 175 S C -2.138 172.471 174.600 0.016 0.000 1.294 175 S CA -0.644 57.560 58.200 0.007 0.000 1.055 175 S CB 0.383 63.596 63.200 0.021 0.000 0.819 175 S HN 0.263 nan 8.310 nan 0.000 0.503 176 P HA 0.067 nan 4.420 nan 0.000 0.265 176 P C 0.331 177.646 177.300 0.024 0.000 1.187 176 P CA 0.003 63.115 63.100 0.019 0.000 0.766 176 P CB 0.362 32.072 31.700 0.017 0.000 0.820 177 A N 3.412 126.247 122.820 0.026 0.000 1.986 177 A HA -0.241 4.081 4.320 0.003 0.000 0.220 177 A C 1.652 179.251 177.584 0.025 0.000 1.171 177 A CA 1.922 53.977 52.037 0.029 0.000 0.640 177 A CB -1.044 17.975 19.000 0.033 0.000 0.811 177 A HN 0.597 nan 8.150 nan 0.000 0.451 178 D N 0.596 121.009 120.400 0.021 0.000 2.097 178 D HA -0.164 4.478 4.640 0.003 0.000 0.195 178 D C 1.032 177.344 176.300 0.019 0.000 0.989 178 D CA 1.512 55.523 54.000 0.018 0.000 0.827 178 D CB -0.597 40.213 40.800 0.016 0.000 0.966 178 D HN 0.482 nan 8.370 nan 0.000 0.456 179 D N 1.096 121.511 120.400 0.025 0.000 2.178 179 D HA -0.087 4.555 4.640 0.003 0.000 0.202 179 D C 1.965 178.287 176.300 0.037 0.000 0.974 179 D CA 0.700 54.720 54.000 0.034 0.000 0.841 179 D CB -0.030 40.793 40.800 0.038 0.000 0.953 179 D HN 0.289 nan 8.370 nan 0.000 0.478 180 K N 0.510 120.930 120.400 0.033 0.000 2.103 180 K HA -0.044 4.278 4.320 0.003 0.000 0.204 180 K C 1.801 178.411 176.600 0.018 0.000 1.052 180 K CA 0.493 56.801 56.287 0.035 0.000 0.945 180 K CB 0.078 32.599 32.500 0.036 0.000 0.722 180 K HN 0.006 nan 8.250 nan 0.000 0.443 181 N N 1.128 119.835 118.700 0.011 0.000 2.188 181 N HA -0.110 4.632 4.740 0.003 0.000 0.184 181 N C 1.706 177.198 175.510 -0.031 0.000 1.018 181 N CA 1.240 54.286 53.050 -0.007 0.000 0.858 181 N CB -0.247 38.240 38.487 0.000 0.000 0.989 181 N HN 0.157 nan 8.380 nan 0.000 0.426 182 A N 0.995 123.801 122.820 -0.023 0.000 1.873 182 A HA 0.066 4.388 4.320 0.003 0.000 0.215 182 A C 2.365 179.886 177.584 -0.104 0.000 1.186 182 A CA 1.846 53.855 52.037 -0.047 0.000 0.616 182 A CB -0.861 18.133 19.000 -0.010 0.000 0.823 182 A HN 0.296 nan 8.150 nan 0.000 0.442 183 A N -0.772 122.018 122.820 -0.049 0.000 1.877 183 A HA -0.144 4.178 4.320 0.003 0.000 0.216 183 A C 2.209 179.699 177.584 -0.157 0.000 1.186 183 A CA 2.380 54.375 52.037 -0.070 0.000 0.620 183 A CB -0.552 18.521 19.000 0.121 0.000 0.822 183 A HN 0.609 nan 8.150 nan 0.000 0.443 184 M N 0.499 120.059 119.600 -0.068 0.000 2.065 184 M HA -0.060 4.422 4.480 0.003 0.000 0.259 184 M C 1.976 178.222 176.300 -0.091 0.000 1.069 184 M CA 2.201 57.472 55.300 -0.049 0.000 1.110 184 M CB -1.106 31.479 32.600 -0.024 0.000 1.328 184 M HN 0.289 nan 8.290 nan 0.000 0.405 185 G N -0.124 108.601 108.800 -0.125 0.000 2.421 185 G HA2 -0.223 3.739 3.960 0.003 0.000 0.216 185 G HA3 -0.223 3.739 3.960 0.003 0.000 0.216 185 G C 1.627 176.406 174.900 -0.200 0.000 1.171 185 G CA 1.085 46.106 45.100 -0.132 0.000 0.775 185 G HN 0.543 nan 8.290 nan 0.000 0.543 186 K N -0.224 119.929 120.400 -0.412 0.000 2.057 186 K HA 0.092 4.414 4.320 0.003 0.000 0.207 186 K C 2.419 178.477 176.600 -0.904 0.000 1.049 186 K CA 0.688 56.508 56.287 -0.778 0.000 0.931 186 K CB -0.352 31.351 32.500 -1.329 0.000 0.714 186 K HN 0.230 nan 8.250 nan 0.000 0.440 187 L N 0.898 121.696 121.223 -0.709 0.000 2.017 187 L HA -0.218 4.124 4.340 0.003 0.000 0.208 187 L C 2.755 179.641 176.870 0.027 0.000 1.073 187 L CA 1.528 56.263 54.840 -0.175 0.000 0.745 187 L CB -0.479 41.622 42.059 0.070 0.000 0.894 187 L HN 0.440 nan 8.230 nan 0.000 0.432 188 H N -0.309 118.711 119.070 -0.083 0.000 2.352 188 H HA -0.150 4.408 4.556 0.003 0.000 0.299 188 H C 1.858 177.167 175.328 -0.032 0.000 1.097 188 H CA 1.860 57.884 56.048 -0.040 0.000 1.311 188 H CB 0.031 29.760 29.762 -0.056 0.000 1.377 188 H HN 0.409 nan 8.280 nan 0.000 0.504 189 G N -0.513 108.340 108.800 0.089 0.000 2.404 189 G HA2 -0.309 3.653 3.960 0.003 0.000 0.215 189 G HA3 -0.309 3.653 3.960 0.003 0.000 0.215 189 G C 1.740 176.655 174.900 0.024 0.000 1.174 189 G CA 0.652 45.786 45.100 0.057 0.000 0.780 189 G HN 0.529 nan 8.290 nan 0.000 0.537 190 Y N 1.237 121.512 120.300 -0.042 0.000 2.102 190 Y HA -0.176 4.376 4.550 0.003 0.000 0.280 190 Y C 2.517 178.452 175.900 0.059 0.000 1.178 190 Y CA 1.813 59.966 58.100 0.087 0.000 1.146 190 Y CB -0.276 38.365 38.460 0.301 0.000 0.968 190 Y HN 0.119 nan 8.280 nan 0.000 0.504 191 L N -1.117 120.104 121.223 -0.004 0.000 2.109 191 L HA -0.183 4.159 4.340 0.003 0.000 0.207 191 L C 2.517 179.263 176.870 -0.207 0.000 1.086 191 L CA 1.229 55.990 54.840 -0.131 0.000 0.760 191 L CB -0.662 41.373 42.059 -0.040 0.000 0.910 191 L HN 0.121 nan 8.230 nan 0.000 0.437 192 S N -0.092 115.472 115.700 -0.227 0.000 2.370 192 S HA -0.205 4.267 4.470 0.003 0.000 0.226 192 S C 1.511 176.030 174.600 -0.136 0.000 1.033 192 S CA 1.563 59.653 58.200 -0.184 0.000 1.011 192 S CB -0.307 62.806 63.200 -0.146 0.000 0.852 192 S HN 0.441 nan 8.310 nan 0.000 0.457 193 D N 1.339 121.651 120.400 -0.147 0.000 2.097 193 D HA -0.029 4.613 4.640 0.003 0.000 0.195 193 D C 1.927 178.121 176.300 -0.176 0.000 0.989 193 D CA 0.537 54.455 54.000 -0.137 0.000 0.827 193 D CB -0.528 40.197 40.800 -0.125 0.000 0.966 193 D HN 0.210 nan 8.370 nan 0.000 0.456 194 L N 0.393 121.437 121.223 -0.298 0.000 2.042 194 L HA -0.179 4.163 4.340 0.003 0.000 0.210 194 L C 2.272 179.057 176.870 -0.142 0.000 1.076 194 L CA 1.057 55.739 54.840 -0.263 0.000 0.749 194 L CB -0.195 41.644 42.059 -0.368 0.000 0.893 194 L HN 0.081 nan 8.230 nan 0.000 0.432 195 L N -0.780 120.366 121.223 -0.130 0.000 2.156 195 L HA -0.169 4.173 4.340 0.003 0.000 0.208 195 L C 2.629 179.461 176.870 -0.064 0.000 1.095 195 L CA 0.667 55.456 54.840 -0.084 0.000 0.770 195 L CB -0.406 41.603 42.059 -0.083 0.000 0.914 195 L HN 0.214 nan 8.230 nan 0.000 0.439 196 E N 0.118 120.277 120.200 -0.067 0.000 2.047 196 E HA -0.214 4.138 4.350 0.003 0.000 0.191 196 E C 2.250 178.826 176.600 -0.038 0.000 0.987 196 E CA 0.934 57.306 56.400 -0.046 0.000 0.799 196 E CB -0.169 29.506 29.700 -0.042 0.000 0.752 196 E HN 0.295 nan 8.360 nan 0.000 0.449 197 R N 1.029 121.501 120.500 -0.046 0.000 2.119 197 R HA -0.142 4.200 4.340 0.003 0.000 0.246 197 R C 2.184 178.468 176.300 -0.026 0.000 1.146 197 R CA 1.665 57.745 56.100 -0.034 0.000 0.962 197 R CB -0.007 30.268 30.300 -0.041 0.000 0.863 197 R HN 0.007 nan 8.270 nan 0.000 0.442 198 K N -0.491 119.889 120.400 -0.032 0.000 2.288 198 K HA -0.070 4.252 4.320 0.003 0.000 0.201 198 K C 1.977 178.565 176.600 -0.019 0.000 1.048 198 K CA 0.894 57.167 56.287 -0.023 0.000 0.956 198 K CB 0.110 32.594 32.500 -0.027 0.000 0.746 198 K HN 0.200 nan 8.250 nan 0.000 0.461 199 R N -0.166 120.322 120.500 -0.021 0.000 2.082 199 R HA -0.102 4.240 4.340 0.003 0.000 0.234 199 R C 2.176 178.469 176.300 -0.011 0.000 1.136 199 R CA 1.916 58.007 56.100 -0.016 0.000 0.935 199 R CB -0.878 29.413 30.300 -0.016 0.000 0.842 199 R HN 0.132 nan 8.270 nan 0.000 0.430 200 T N 0.243 114.790 114.554 -0.011 0.000 2.857 200 T HA -0.095 4.257 4.350 0.003 0.000 0.266 200 T C 0.841 175.537 174.700 -0.005 0.000 1.048 200 T CA 0.936 63.031 62.100 -0.007 0.000 1.139 200 T CB 0.059 68.923 68.868 -0.006 0.000 0.874 200 T HN 0.264 nan 8.240 nan 0.000 0.455 201 E N 2.019 122.215 120.200 -0.006 0.000 3.037 201 E HA 0.217 4.569 4.350 0.003 0.000 0.220 201 E C -2.685 173.913 176.600 -0.004 0.000 1.142 201 E CA -2.202 54.196 56.400 -0.003 0.000 0.888 201 E CB 1.243 30.943 29.700 0.000 0.000 1.329 201 E HN 0.225 nan 8.360 nan 0.000 0.409 202 P HA 0.165 nan 4.420 nan 0.000 0.274 202 P C -0.785 176.513 177.300 -0.003 0.000 1.256 202 P CA -0.132 62.964 63.100 -0.006 0.000 0.795 202 P CB 1.141 32.837 31.700 -0.007 0.000 1.038 203 D N -1.693 118.704 120.400 -0.004 0.000 2.781 203 D HA 0.257 4.899 4.640 0.003 0.000 0.295 203 D C -0.278 176.018 176.300 -0.007 0.000 1.143 203 D CA -0.435 53.563 54.000 -0.003 0.000 1.076 203 D CB -0.260 40.541 40.800 0.001 0.000 1.444 203 D HN 0.065 nan 8.370 nan 0.000 0.567 204 D N -0.837 119.557 120.400 -0.010 0.000 2.340 204 D HA 0.346 4.988 4.640 0.003 0.000 0.217 204 D C 0.425 176.712 176.300 -0.022 0.000 1.081 204 D CA -0.064 53.926 54.000 -0.015 0.000 0.842 204 D CB 0.313 41.103 40.800 -0.016 0.000 0.934 204 D HN 0.501 nan 8.370 nan 0.000 0.511 205 A N 0.252 123.061 122.820 -0.018 0.000 2.250 205 A HA 0.295 4.617 4.320 0.003 0.000 0.283 205 A C 1.430 179.000 177.584 -0.023 0.000 1.206 205 A CA -0.468 51.555 52.037 -0.024 0.000 0.840 205 A CB 0.373 19.366 19.000 -0.013 0.000 1.220 205 A HN 0.145 nan 8.150 nan 0.000 0.505 206 L N -0.663 120.545 121.223 -0.024 0.000 2.056 206 L HA -0.109 4.233 4.340 0.003 0.000 0.207 206 L C 2.285 179.155 176.870 0.000 0.000 1.078 206 L CA 1.289 56.120 54.840 -0.015 0.000 0.749 206 L CB -0.421 41.637 42.059 -0.002 0.000 0.901 206 L HN 0.741 nan 8.230 nan 0.000 0.433 207 L N -1.072 120.152 121.223 0.002 0.000 2.042 207 L HA -0.245 4.097 4.340 0.003 0.000 0.210 207 L C 2.636 179.500 176.870 -0.010 0.000 1.076 207 L CA 1.286 56.124 54.840 -0.004 0.000 0.749 207 L CB -0.623 41.430 42.059 -0.010 0.000 0.893 207 L HN 0.220 nan 8.230 nan 0.000 0.432 208 S N -0.555 115.138 115.700 -0.011 0.000 2.368 208 S HA -0.164 4.308 4.470 0.003 0.000 0.225 208 S C 2.218 176.812 174.600 -0.011 0.000 1.030 208 S CA 1.544 59.736 58.200 -0.012 0.000 0.999 208 S CB -0.096 63.097 63.200 -0.011 0.000 0.844 208 S HN 0.372 nan 8.310 nan 0.000 0.459 209 S N 1.731 117.425 115.700 -0.011 0.000 2.356 209 S HA 0.027 4.499 4.470 0.003 0.000 0.223 209 S C 1.821 176.417 174.600 -0.006 0.000 1.032 209 S CA 0.976 59.170 58.200 -0.010 0.000 1.005 209 S CB -0.430 62.762 63.200 -0.014 0.000 0.867 209 S HN 0.367 nan 8.310 nan 0.000 0.449 210 L N 1.196 122.418 121.223 -0.002 0.000 2.093 210 L HA -0.039 4.303 4.340 0.003 0.000 0.208 210 L C 2.420 179.287 176.870 -0.006 0.000 1.085 210 L CA 0.788 55.628 54.840 0.000 0.000 0.755 210 L CB -0.518 41.545 42.059 0.006 0.000 0.904 210 L HN 0.304 nan 8.230 nan 0.000 0.435 211 L N 0.047 121.264 121.223 -0.011 0.000 2.012 211 L HA -0.271 4.071 4.340 0.003 0.000 0.210 211 L C 2.765 179.629 176.870 -0.011 0.000 1.073 211 L CA 1.848 56.679 54.840 -0.014 0.000 0.748 211 L CB -0.376 41.672 42.059 -0.019 0.000 0.891 211 L HN 0.297 nan 8.230 nan 0.000 0.431 212 A N -0.568 122.246 122.820 -0.010 0.000 1.883 212 A HA -0.187 4.135 4.320 0.003 0.000 0.217 212 A C 2.201 179.781 177.584 -0.007 0.000 1.186 212 A CA 1.954 53.986 52.037 -0.008 0.000 0.624 212 A CB -1.003 17.992 19.000 -0.008 0.000 0.822 212 A HN 0.338 nan 8.150 nan 0.000 0.444 213 V N -0.271 119.640 119.914 -0.006 0.000 2.250 213 V HA -0.297 3.825 4.120 0.003 0.000 0.250 213 V C 2.815 178.906 176.094 -0.005 0.000 1.060 213 V CA 2.563 64.860 62.300 -0.005 0.000 1.030 213 V CB -1.059 30.762 31.823 -0.003 0.000 0.643 213 V HN 0.661 nan 8.190 nan 0.000 0.445 214 S N -0.640 115.057 115.700 -0.006 0.000 2.368 214 S HA -0.234 4.238 4.470 0.003 0.000 0.225 214 S C 1.738 176.335 174.600 -0.005 0.000 1.030 214 S CA 1.799 59.996 58.200 -0.005 0.000 0.999 214 S CB -0.500 62.696 63.200 -0.008 0.000 0.844 214 S HN 0.677 nan 8.310 nan 0.000 0.459 215 D N 1.014 121.410 120.400 -0.006 0.000 2.123 215 D HA -0.078 4.564 4.640 0.003 0.000 0.196 215 D C 1.899 178.196 176.300 -0.004 0.000 0.992 215 D CA 1.268 55.264 54.000 -0.006 0.000 0.833 215 D CB -0.304 40.492 40.800 -0.007 0.000 0.954 215 D HN 0.486 nan 8.370 nan 0.000 0.455 216 M N -0.601 118.997 119.600 -0.004 0.000 2.288 216 M HA -0.043 4.439 4.480 0.003 0.000 0.266 216 M C 0.067 176.365 176.300 -0.003 0.000 1.072 216 M CA 0.806 56.104 55.300 -0.004 0.000 1.132 216 M CB 0.435 33.032 32.600 -0.004 0.000 1.386 216 M HN -0.203 nan 8.290 nan 0.000 0.432 217 D N -0.552 119.847 120.400 -0.003 0.000 2.351 217 D HA 0.206 4.848 4.640 0.003 0.000 0.235 217 D C 0.541 176.840 176.300 -0.001 0.000 1.331 217 D CA -0.074 53.925 54.000 -0.002 0.000 0.959 217 D CB 0.746 41.545 40.800 -0.002 0.000 1.432 217 D HN 0.140 nan 8.370 nan 0.000 0.544 218 G N 1.865 110.665 108.800 -0.001 0.000 2.498 218 G HA2 -0.209 3.753 3.960 0.003 0.000 0.219 218 G HA3 -0.209 3.753 3.960 0.003 0.000 0.219 218 G C 1.002 175.904 174.900 0.002 0.000 1.119 218 G CA 0.384 45.485 45.100 0.001 0.000 0.766 218 G HN 0.411 nan 8.290 nan 0.000 0.552 219 D N -0.075 120.326 120.400 0.001 0.000 2.277 219 D HA -0.012 4.630 4.640 0.003 0.000 0.208 219 D C 2.490 178.790 176.300 0.001 0.000 0.962 219 D CA 0.456 54.457 54.000 0.002 0.000 0.865 219 D CB 0.072 40.873 40.800 0.002 0.000 0.939 219 D HN 0.218 nan 8.370 nan 0.000 0.510 220 R N 0.258 120.757 120.500 -0.001 0.000 2.075 220 R HA 0.163 4.505 4.340 0.003 0.000 0.226 220 R C 0.171 176.469 176.300 -0.004 0.000 1.114 220 R CA 0.720 56.818 56.100 -0.003 0.000 0.972 220 R CB 0.172 30.469 30.300 -0.004 0.000 0.869 220 R HN 0.067 nan 8.270 nan 0.000 0.437 221 L N 1.210 122.432 121.223 -0.002 0.000 2.580 221 L HA 0.324 4.666 4.340 0.003 0.000 0.266 221 L C -1.050 175.820 176.870 0.000 0.000 0.955 221 L CA -0.540 54.299 54.840 -0.001 0.000 0.886 221 L CB 1.893 43.951 42.059 -0.003 0.000 1.263 221 L HN 0.365 nan 8.230 nan 0.000 0.406 222 S N 2.780 118.482 115.700 0.003 0.000 2.632 222 S HA 0.166 4.638 4.470 0.003 0.000 0.267 222 S C 0.739 175.342 174.600 0.004 0.000 1.276 222 S CA -0.335 57.868 58.200 0.006 0.000 0.998 222 S CB 1.802 65.008 63.200 0.011 0.000 0.953 222 S HN 0.762 nan 8.310 nan 0.000 0.547 223 Q N 0.391 120.194 119.800 0.005 0.000 2.096 223 Q HA -0.194 4.148 4.340 0.003 0.000 0.204 223 Q C 1.788 177.793 176.000 0.008 0.000 0.982 223 Q CA 2.214 58.017 55.803 0.001 0.000 0.850 223 Q CB -0.416 28.324 28.738 0.003 0.000 0.901 223 Q HN 0.923 nan 8.270 nan 0.000 0.422 224 E N 0.681 120.898 120.200 0.029 0.000 2.150 224 E HA -0.138 4.214 4.350 0.003 0.000 0.193 224 E C 1.602 178.224 176.600 0.037 0.000 0.985 224 E CA 1.322 57.757 56.400 0.058 0.000 0.814 224 E CB 0.019 29.763 29.700 0.072 0.000 0.752 224 E HN 0.405 nan 8.360 nan 0.000 0.466 225 E N -0.312 119.900 120.200 0.020 0.000 2.106 225 E HA -0.158 4.194 4.350 0.003 0.000 0.192 225 E C 1.986 178.588 176.600 0.002 0.000 0.984 225 E CA 0.892 57.300 56.400 0.012 0.000 0.806 225 E CB -0.189 29.516 29.700 0.009 0.000 0.750 225 E HN 0.192 nan 8.360 nan 0.000 0.458 226 L N 0.778 121.998 121.223 -0.005 0.000 2.013 226 L HA -0.198 4.144 4.340 0.003 0.000 0.212 226 L C 2.174 179.024 176.870 -0.033 0.000 1.073 226 L CA 1.604 56.434 54.840 -0.017 0.000 0.753 226 L CB -0.425 41.621 42.059 -0.022 0.000 0.890 226 L HN -0.039 nan 8.230 nan 0.000 0.432 227 V N -0.114 119.768 119.914 -0.054 0.000 2.379 227 V HA -0.202 3.920 4.120 0.003 0.000 0.245 227 V C 2.772 178.831 176.094 -0.058 0.000 1.044 227 V CA 1.444 63.677 62.300 -0.112 0.000 1.036 227 V CB -1.254 30.408 31.823 -0.268 0.000 0.664 227 V HN 0.611 nan 8.190 nan 0.000 0.453 228 A N -0.417 122.399 122.820 -0.006 0.000 1.933 228 A HA -0.251 4.071 4.320 0.003 0.000 0.218 228 A C 2.148 179.735 177.584 0.005 0.000 1.175 228 A CA 2.297 54.344 52.037 0.017 0.000 0.628 228 A CB -0.494 18.521 19.000 0.025 0.000 0.814 228 A HN 0.486 nan 8.150 nan 0.000 0.444 229 M N 0.192 119.792 119.600 0.000 0.000 2.099 229 M HA 0.026 4.508 4.480 0.003 0.000 0.262 229 M C 2.153 178.455 176.300 0.003 0.000 1.067 229 M CA 1.774 57.075 55.300 0.003 0.000 1.124 229 M CB -0.566 32.038 32.600 0.006 0.000 1.353 229 M HN 0.345 nan 8.290 nan 0.000 0.410 230 A N 0.117 122.934 122.820 -0.006 0.000 1.908 230 A HA -0.207 4.115 4.320 0.003 0.000 0.218 230 A C 2.228 179.806 177.584 -0.010 0.000 1.181 230 A CA 2.215 54.246 52.037 -0.010 0.000 0.627 230 A CB -0.778 18.204 19.000 -0.030 0.000 0.818 230 A HN 0.643 nan 8.150 nan 0.000 0.445 231 M N -1.443 118.154 119.600 -0.005 0.000 2.086 231 M HA -0.132 4.350 4.480 0.003 0.000 0.261 231 M C 2.248 178.556 176.300 0.013 0.000 1.067 231 M CA 1.603 56.908 55.300 0.009 0.000 1.116 231 M CB -0.471 32.145 32.600 0.027 0.000 1.348 231 M HN 0.481 nan 8.290 nan 0.000 0.407 232 L N 0.886 122.116 121.223 0.011 0.000 2.012 232 L HA -0.185 4.157 4.340 0.003 0.000 0.210 232 L C 2.065 178.941 176.870 0.010 0.000 1.073 232 L CA 1.933 56.780 54.840 0.011 0.000 0.748 232 L CB -0.680 41.381 42.059 0.003 0.000 0.891 232 L HN 0.256 nan 8.230 nan 0.000 0.431 233 L N -1.444 119.783 121.223 0.007 0.000 2.109 233 L HA -0.171 4.171 4.340 0.003 0.000 0.207 233 L C 2.516 179.416 176.870 0.050 0.000 1.086 233 L CA 1.055 55.906 54.840 0.018 0.000 0.760 233 L CB -0.537 41.551 42.059 0.049 0.000 0.910 233 L HN 0.360 nan 8.230 nan 0.000 0.437 234 L N 0.079 121.319 121.223 0.029 0.000 2.017 234 L HA -0.235 4.107 4.340 0.003 0.000 0.208 234 L C 2.490 179.429 176.870 0.115 0.000 1.073 234 L CA 1.595 56.453 54.840 0.030 0.000 0.745 234 L CB -0.073 41.920 42.059 -0.110 0.000 0.894 234 L HN 0.112 nan 8.230 nan 0.000 0.432 235 I N -0.187 120.418 120.570 0.060 0.000 2.202 235 I HA -0.272 3.900 4.170 0.003 0.000 0.242 235 I C 2.765 178.964 176.117 0.136 0.000 1.091 235 I CA 1.089 62.441 61.300 0.087 0.000 1.368 235 I CB -0.602 37.437 38.000 0.063 0.000 1.058 235 I HN 0.337 nan 8.210 nan 0.000 0.410 236 A N 1.012 123.888 122.820 0.094 0.000 1.908 236 A HA -0.185 4.137 4.320 0.003 0.000 0.218 236 A C 2.411 180.054 177.584 0.098 0.000 1.181 236 A CA 2.017 54.103 52.037 0.082 0.000 0.627 236 A CB -1.514 17.505 19.000 0.031 0.000 0.818 236 A HN 0.487 nan 8.150 nan 0.000 0.445 237 G N -2.252 106.617 108.800 0.115 0.000 2.498 237 G HA2 -0.138 3.824 3.960 0.003 0.000 0.219 237 G HA3 -0.138 3.824 3.960 0.003 0.000 0.219 237 G C 1.258 176.144 174.900 -0.024 0.000 1.119 237 G CA 1.314 46.452 45.100 0.063 0.000 0.766 237 G HN 0.712 nan 8.290 nan 0.000 0.552 238 H N -0.977 118.097 119.070 0.006 0.000 2.729 238 H HA 0.256 4.814 4.556 0.003 0.000 0.263 238 H C 1.288 176.679 175.328 0.105 0.000 0.961 238 H CA 0.561 56.615 56.048 0.010 0.000 1.217 238 H CB 0.797 30.632 29.762 0.123 0.000 1.447 238 H HN 0.227 nan 8.280 nan 0.000 0.496 239 E N -0.390 119.940 120.200 0.216 0.000 2.714 239 E HA 0.114 4.466 4.350 0.003 0.000 0.219 239 E C 0.740 177.434 176.600 0.156 0.000 0.979 239 E CA 0.568 57.088 56.400 0.200 0.000 1.092 239 E CB 0.973 30.784 29.700 0.185 0.000 1.049 239 E HN 0.530 nan 8.360 nan 0.000 0.487 240 T N -3.193 111.441 114.554 0.133 0.000 3.393 240 T HA 0.016 4.368 4.350 0.003 0.000 0.231 240 T C 1.933 176.708 174.700 0.124 0.000 0.983 240 T CA 0.705 62.883 62.100 0.131 0.000 1.272 240 T CB -0.473 68.475 68.868 0.133 0.000 1.214 240 T HN -0.158 nan 8.240 nan 0.000 0.368 241 T N 2.460 117.078 114.554 0.106 0.000 2.803 241 T HA -0.085 4.267 4.350 0.003 0.000 0.269 241 T C 1.991 176.736 174.700 0.075 0.000 1.052 241 T CA 1.309 63.466 62.100 0.095 0.000 1.136 241 T CB -0.773 68.136 68.868 0.068 0.000 0.864 241 T HN 0.257 nan 8.240 nan 0.000 0.467 242 V N 2.611 122.565 119.914 0.066 0.000 2.370 242 V HA -0.257 3.865 4.120 0.003 0.000 0.252 242 V C 1.867 178.026 176.094 0.108 0.000 1.068 242 V CA 1.981 64.333 62.300 0.087 0.000 1.061 242 V CB -0.485 31.435 31.823 0.161 0.000 0.656 242 V HN 0.479 nan 8.190 nan 0.000 0.455 243 N N -0.398 118.374 118.700 0.121 0.000 2.424 243 N HA -0.008 4.734 4.740 0.003 0.000 0.178 243 N C 1.505 177.084 175.510 0.114 0.000 1.060 243 N CA 1.156 54.282 53.050 0.128 0.000 0.901 243 N CB 0.001 38.578 38.487 0.150 0.000 0.979 243 N HN 0.520 nan 8.380 nan 0.000 0.451 244 L N 1.243 122.529 121.223 0.105 0.000 2.056 244 L HA 0.052 4.394 4.340 0.003 0.000 0.207 244 L C 1.804 178.720 176.870 0.077 0.000 1.078 244 L CA 1.337 56.236 54.840 0.097 0.000 0.749 244 L CB -0.568 41.557 42.059 0.111 0.000 0.901 244 L HN -0.006 nan 8.230 nan 0.000 0.433 245 I N -0.377 120.241 120.570 0.081 0.000 2.163 245 I HA -0.166 4.006 4.170 0.003 0.000 0.240 245 I C 2.560 178.720 176.117 0.072 0.000 1.081 245 I CA 1.243 62.591 61.300 0.081 0.000 1.353 245 I CB -1.285 36.760 38.000 0.075 0.000 1.054 245 I HN 0.392 nan 8.210 nan 0.000 0.407 246 G N 1.288 110.138 108.800 0.084 0.000 2.553 246 G HA2 -0.312 3.650 3.960 0.003 0.000 0.218 246 G HA3 -0.312 3.650 3.960 0.003 0.000 0.218 246 G C 1.399 176.334 174.900 0.059 0.000 1.195 246 G CA 1.360 46.506 45.100 0.077 0.000 0.779 246 G HN 0.312 nan 8.290 nan 0.000 0.577 247 N N 1.033 119.778 118.700 0.074 0.000 2.244 247 N HA -0.026 4.716 4.740 0.003 0.000 0.183 247 N C 2.260 177.735 175.510 -0.057 0.000 1.016 247 N CA 1.243 54.348 53.050 0.091 0.000 0.866 247 N CB -0.730 37.848 38.487 0.152 0.000 0.980 247 N HN 0.343 nan 8.380 nan 0.000 0.430 248 G N 0.517 109.172 108.800 -0.243 0.000 2.394 248 G HA2 -0.131 3.831 3.960 0.003 0.000 0.214 248 G HA3 -0.131 3.831 3.960 0.003 0.000 0.214 248 G C 1.672 176.104 174.900 -0.780 0.000 1.176 248 G CA 0.529 45.070 45.100 -0.932 0.000 0.786 248 G HN 0.154 nan 8.290 nan 0.000 0.533 249 V N 0.833 120.598 119.914 -0.249 0.000 2.287 249 V HA -0.171 3.951 4.120 0.003 0.000 0.248 249 V C 2.730 178.855 176.094 0.051 0.000 1.053 249 V CA 1.774 64.109 62.300 0.057 0.000 1.027 249 V CB -0.516 31.413 31.823 0.177 0.000 0.646 249 V HN 0.334 nan 8.190 nan 0.000 0.447 250 L N 0.663 121.900 121.223 0.024 0.000 2.042 250 L HA -0.126 4.216 4.340 0.003 0.000 0.210 250 L C 2.464 179.391 176.870 0.095 0.000 1.076 250 L CA 2.360 57.248 54.840 0.079 0.000 0.749 250 L CB -1.025 41.104 42.059 0.117 0.000 0.893 250 L HN 0.249 nan 8.230 nan 0.000 0.432 251 A N -0.592 122.239 122.820 0.019 0.000 1.883 251 A HA -0.211 4.111 4.320 0.003 0.000 0.217 251 A C 2.290 179.913 177.584 0.064 0.000 1.186 251 A CA 2.117 54.183 52.037 0.050 0.000 0.624 251 A CB -0.929 17.995 19.000 -0.126 0.000 0.822 251 A HN 0.492 nan 8.150 nan 0.000 0.444 252 L N -0.687 120.474 121.223 -0.103 0.000 2.017 252 L HA -0.190 4.152 4.340 0.003 0.000 0.208 252 L C 2.574 179.491 176.870 0.078 0.000 1.073 252 L CA 1.193 55.984 54.840 -0.081 0.000 0.745 252 L CB -0.562 41.241 42.059 -0.427 0.000 0.894 252 L HN 0.394 nan 8.230 nan 0.000 0.432 253 L N -0.421 120.895 121.223 0.155 0.000 2.131 253 L HA -0.173 4.169 4.340 0.003 0.000 0.210 253 L C 2.441 179.366 176.870 0.092 0.000 1.092 253 L CA 1.794 56.730 54.840 0.159 0.000 0.759 253 L CB -0.802 41.343 42.059 0.144 0.000 0.903 253 L HN 0.473 nan 8.230 nan 0.000 0.435 254 T N -5.369 109.241 114.554 0.094 0.000 3.107 254 T HA 0.020 4.372 4.350 0.003 0.000 0.249 254 T C 0.247 174.799 174.700 -0.247 0.000 1.096 254 T CA -0.019 62.066 62.100 -0.025 0.000 1.012 254 T CB -0.212 68.657 68.868 0.001 0.000 0.977 254 T HN 0.267 nan 8.240 nan 0.000 0.527 255 H N 0.885 119.949 119.070 -0.010 0.000 2.488 255 H HA 0.364 4.922 4.556 0.003 0.000 0.237 255 H C -2.263 173.047 175.328 -0.030 0.000 1.395 255 H CA -1.816 54.210 56.048 -0.037 0.000 1.491 255 H CB 1.337 31.041 29.762 -0.096 0.000 1.567 255 H HN 0.044 nan 8.280 nan 0.000 0.508 256 P HA -0.240 nan 4.420 nan 0.000 0.217 256 P C 1.475 178.792 177.300 0.030 0.000 1.151 256 P CA 1.563 64.685 63.100 0.037 0.000 0.849 256 P CB 0.418 32.129 31.700 0.019 0.000 0.787 257 D N -0.772 119.646 120.400 0.030 0.000 2.117 257 D HA -0.213 4.429 4.640 0.003 0.000 0.197 257 D C 1.631 177.930 176.300 -0.003 0.000 0.987 257 D CA 1.345 55.353 54.000 0.014 0.000 0.829 257 D CB -0.859 39.950 40.800 0.015 0.000 0.961 257 D HN 0.159 nan 8.370 nan 0.000 0.460 258 Q N 0.380 120.180 119.800 0.000 0.000 2.123 258 Q HA -0.039 4.303 4.340 0.003 0.000 0.199 258 Q C 2.389 178.356 176.000 -0.055 0.000 0.966 258 Q CA 0.557 56.331 55.803 -0.048 0.000 0.845 258 Q CB -0.371 28.313 28.738 -0.090 0.000 0.907 258 Q HN 0.457 nan 8.270 nan 0.000 0.439 259 R N 1.304 121.781 120.500 -0.038 0.000 2.083 259 R HA -0.165 4.177 4.340 0.003 0.000 0.237 259 R C 2.218 178.500 176.300 -0.031 0.000 1.137 259 R CA 1.799 57.858 56.100 -0.068 0.000 0.951 259 R CB -0.033 30.264 30.300 -0.006 0.000 0.851 259 R HN 0.087 nan 8.270 nan 0.000 0.434 260 K N 0.539 120.936 120.400 -0.005 0.000 2.026 260 K HA -0.132 4.190 4.320 0.003 0.000 0.208 260 K C 2.205 178.798 176.600 -0.012 0.000 1.048 260 K CA 1.462 57.750 56.287 0.002 0.000 0.929 260 K CB -0.159 32.344 32.500 0.006 0.000 0.713 260 K HN 0.209 nan 8.250 nan 0.000 0.439 261 L N 0.808 122.015 121.223 -0.026 0.000 2.043 261 L HA -0.234 4.108 4.340 0.003 0.000 0.212 261 L C 2.549 179.394 176.870 -0.041 0.000 1.075 261 L CA 0.837 55.655 54.840 -0.037 0.000 0.752 261 L CB -0.506 41.522 42.059 -0.052 0.000 0.891 261 L HN 0.302 nan 8.230 nan 0.000 0.432 262 L N -0.019 121.172 121.223 -0.054 0.000 2.056 262 L HA -0.105 4.237 4.340 0.003 0.000 0.207 262 L C 2.647 179.507 176.870 -0.018 0.000 1.078 262 L CA 1.949 56.758 54.840 -0.051 0.000 0.749 262 L CB -0.695 41.312 42.059 -0.087 0.000 0.901 262 L HN 0.134 nan 8.230 nan 0.000 0.433 263 A N -0.804 122.014 122.820 -0.003 0.000 1.940 263 A HA -0.242 4.080 4.320 0.003 0.000 0.219 263 A C 2.172 179.767 177.584 0.017 0.000 1.176 263 A CA 2.004 54.057 52.037 0.028 0.000 0.631 263 A CB -0.610 18.418 19.000 0.045 0.000 0.814 263 A HN 0.631 nan 8.150 nan 0.000 0.446 264 E N -1.260 118.943 120.200 0.005 0.000 2.216 264 E HA -0.068 4.284 4.350 0.003 0.000 0.192 264 E C -0.232 176.366 176.600 -0.003 0.000 0.988 264 E CA 0.797 57.198 56.400 0.001 0.000 0.834 264 E CB 0.173 29.871 29.700 -0.003 0.000 0.772 264 E HN 0.477 nan 8.360 nan 0.000 0.479 265 D N -0.807 119.587 120.400 -0.008 0.000 2.405 265 D HA 0.137 4.779 4.640 0.003 0.000 0.264 265 D C -2.251 174.043 176.300 -0.011 0.000 1.240 265 D CA -2.255 51.739 54.000 -0.011 0.000 0.893 265 D CB 1.043 41.832 40.800 -0.019 0.000 1.198 265 D HN -0.251 nan 8.370 nan 0.000 0.514 266 P HA -0.162 nan 4.420 nan 0.000 0.218 266 P C 1.330 178.633 177.300 0.005 0.000 1.146 266 P CA 1.064 64.171 63.100 0.011 0.000 0.813 266 P CB 0.191 31.907 31.700 0.025 0.000 0.778 267 S N -1.306 114.393 115.700 -0.001 0.000 2.515 267 S HA -0.052 4.420 4.470 0.003 0.000 0.231 267 S C 1.664 176.252 174.600 -0.019 0.000 0.987 267 S CA 0.525 58.722 58.200 -0.004 0.000 0.936 267 S CB -1.422 61.776 63.200 -0.004 0.000 0.766 267 S HN 0.123 nan 8.310 nan 0.000 0.528 268 L N 0.399 121.602 121.223 -0.034 0.000 2.633 268 L HA 0.069 4.411 4.340 0.003 0.000 0.235 268 L C 2.192 179.012 176.870 -0.083 0.000 1.163 268 L CA 0.172 54.974 54.840 -0.063 0.000 0.859 268 L CB -0.535 41.478 42.059 -0.078 0.000 0.973 268 L HN 0.335 nan 8.230 nan 0.000 0.451 269 I N -0.439 120.104 120.570 -0.045 0.000 2.179 269 I HA -0.292 3.880 4.170 0.003 0.000 0.242 269 I C 2.488 178.571 176.117 -0.057 0.000 1.088 269 I CA 1.582 62.862 61.300 -0.034 0.000 1.357 269 I CB -0.125 37.892 38.000 0.028 0.000 1.051 269 I HN 0.103 nan 8.210 nan 0.000 0.409 270 S N -0.453 115.227 115.700 -0.034 0.000 2.359 270 S HA -0.216 4.256 4.470 0.003 0.000 0.224 270 S C 2.172 176.727 174.600 -0.076 0.000 1.035 270 S CA 1.674 59.859 58.200 -0.025 0.000 1.018 270 S CB -0.623 62.579 63.200 0.004 0.000 0.876 270 S HN 0.593 nan 8.310 nan 0.000 0.448 271 S N 1.054 116.693 115.700 -0.102 0.000 2.368 271 S HA -0.016 4.456 4.470 0.003 0.000 0.224 271 S C 2.102 176.537 174.600 -0.274 0.000 1.029 271 S CA 1.049 59.167 58.200 -0.137 0.000 0.988 271 S CB -0.463 62.667 63.200 -0.116 0.000 0.838 271 S HN 0.533 nan 8.310 nan 0.000 0.462 272 A N 0.809 123.409 122.820 -0.366 0.000 1.883 272 A HA -0.044 4.278 4.320 0.003 0.000 0.217 272 A C 2.307 179.193 177.584 -1.164 0.000 1.186 272 A CA 1.827 53.408 52.037 -0.761 0.000 0.624 272 A CB -1.105 17.539 19.000 -0.592 0.000 0.822 272 A HN 0.423 nan 8.150 nan 0.000 0.444 273 V N 0.428 120.007 119.914 -0.558 0.000 2.332 273 V HA -0.242 3.880 4.120 0.003 0.000 0.248 273 V C 2.594 178.532 176.094 -0.261 0.000 1.055 273 V CA 2.217 64.374 62.300 -0.239 0.000 1.038 273 V CB -0.735 31.101 31.823 0.021 0.000 0.651 273 V HN 0.533 nan 8.190 nan 0.000 0.450 274 E N -0.109 119.946 120.200 -0.241 0.000 2.085 274 E HA -0.259 4.093 4.350 0.003 0.000 0.194 274 E C 2.192 178.604 176.600 -0.313 0.000 0.994 274 E CA 1.574 57.831 56.400 -0.238 0.000 0.801 274 E CB -0.239 29.431 29.700 -0.051 0.000 0.743 274 E HN 0.684 nan 8.360 nan 0.000 0.453 275 E N 0.257 120.258 120.200 -0.333 0.000 2.107 275 E HA -0.085 4.267 4.350 0.003 0.000 0.191 275 E C 1.942 178.467 176.600 -0.125 0.000 0.982 275 E CA 0.870 57.116 56.400 -0.257 0.000 0.809 275 E CB -0.405 29.081 29.700 -0.357 0.000 0.756 275 E HN 0.296 nan 8.360 nan 0.000 0.459 276 F N 0.191 120.068 119.950 -0.121 0.000 2.134 276 F HA -0.152 4.377 4.527 0.003 0.000 0.299 276 F C 2.176 177.923 175.800 -0.088 0.000 1.097 276 F CA 0.450 58.415 58.000 -0.058 0.000 1.264 276 F CB -0.258 38.707 39.000 -0.059 0.000 1.001 276 F HN 0.014 nan 8.300 nan 0.000 0.479 277 L N 0.036 121.186 121.223 -0.122 0.000 2.043 277 L HA -0.262 4.080 4.340 0.003 0.000 0.212 277 L C 2.672 179.323 176.870 -0.365 0.000 1.075 277 L CA 1.436 55.984 54.840 -0.486 0.000 0.752 277 L CB -0.569 40.733 42.059 -1.262 0.000 0.891 277 L HN 0.130 nan 8.230 nan 0.000 0.432 278 R N -0.461 119.904 120.500 -0.224 0.000 2.062 278 R HA -0.171 4.171 4.340 0.003 0.000 0.226 278 R C 2.414 178.848 176.300 0.223 0.000 1.125 278 R CA 1.358 57.568 56.100 0.184 0.000 0.966 278 R CB -0.294 30.190 30.300 0.307 0.000 0.861 278 R HN 0.222 nan 8.270 nan 0.000 0.433 279 F N 0.861 120.833 119.950 0.036 0.000 2.186 279 F HA -0.056 4.472 4.527 0.003 0.000 0.299 279 F C 0.140 175.953 175.800 0.022 0.000 1.090 279 F CA 1.234 59.239 58.000 0.009 0.000 1.307 279 F CB 0.281 39.274 39.000 -0.011 0.000 1.019 279 F HN -0.027 nan 8.300 nan 0.000 0.489 280 D N 0.108 120.605 120.400 0.161 0.000 2.714 280 D HA 0.165 4.807 4.640 0.003 0.000 0.264 280 D C -1.005 175.401 176.300 0.178 0.000 1.231 280 D CA -0.091 54.002 54.000 0.155 0.000 0.802 280 D CB 0.557 41.490 40.800 0.221 0.000 1.319 280 D HN -0.128 nan 8.370 nan 0.000 0.528 281 S N 2.207 118.006 115.700 0.166 0.000 2.525 281 S HA 0.092 4.564 4.470 0.003 0.000 0.285 281 S C -1.399 173.279 174.600 0.130 0.000 1.283 281 S CA -0.706 57.572 58.200 0.130 0.000 1.072 281 S CB 1.228 64.519 63.200 0.151 0.000 0.867 281 S HN 0.354 nan 8.310 nan 0.000 0.492 282 P HA -0.042 nan 4.420 nan 0.000 0.216 282 P C -0.033 177.350 177.300 0.139 0.000 1.153 282 P CA 0.692 63.868 63.100 0.126 0.000 0.848 282 P CB 0.100 31.863 31.700 0.106 0.000 0.787 283 V N 1.014 121.003 119.914 0.126 0.000 2.334 283 V HA 0.071 4.193 4.120 0.003 0.000 0.267 283 V C 1.554 177.732 176.094 0.139 0.000 1.040 283 V CA 0.304 62.686 62.300 0.136 0.000 0.866 283 V CB 0.463 32.362 31.823 0.126 0.000 1.019 283 V HN 0.140 nan 8.190 nan 0.000 0.468 284 S N 3.957 119.758 115.700 0.168 0.000 2.377 284 S HA 0.031 4.503 4.470 0.003 0.000 0.223 284 S C 0.625 175.310 174.600 0.142 0.000 1.030 284 S CA 0.187 58.492 58.200 0.175 0.000 0.970 284 S CB 0.011 63.380 63.200 0.281 0.000 0.830 284 S HN 0.671 nan 8.310 nan 0.000 0.473 285 Q N 0.463 120.363 119.800 0.166 0.000 2.323 285 Q HA 0.763 5.105 4.340 0.003 0.000 0.271 285 Q C -0.769 175.277 176.000 0.078 0.000 1.048 285 Q CA -0.129 55.740 55.803 0.111 0.000 0.792 285 Q CB 1.970 30.795 28.738 0.146 0.000 1.280 285 Q HN 0.481 nan 8.270 nan 0.000 0.441 286 A N 3.511 126.355 122.820 0.041 0.000 2.483 286 A HA 0.465 4.787 4.320 0.003 0.000 0.238 286 A C -2.126 175.448 177.584 -0.017 0.000 1.070 286 A CA -0.856 51.208 52.037 0.044 0.000 0.770 286 A CB -0.465 18.553 19.000 0.030 0.000 1.008 286 A HN 0.487 nan 8.150 nan 0.000 0.497 287 P HA 0.099 nan 4.420 nan 0.000 0.267 287 P C -0.098 177.127 177.300 -0.125 0.000 1.200 287 P CA 0.135 63.207 63.100 -0.047 0.000 0.772 287 P CB 0.207 31.889 31.700 -0.030 0.000 0.855 288 I N 2.518 122.987 120.570 -0.169 0.000 2.880 288 I HA -0.103 4.069 4.170 0.003 0.000 0.296 288 I C 1.393 177.239 176.117 -0.452 0.000 1.220 288 I CA 0.974 62.076 61.300 -0.330 0.000 1.435 288 I CB 0.153 37.920 38.000 -0.389 0.000 1.339 288 I HN 0.290 nan 8.210 nan 0.000 0.583 289 R N 4.723 124.918 120.500 -0.509 0.000 2.873 289 R HA 0.671 5.013 4.340 0.003 0.000 0.264 289 R C -1.552 174.395 176.300 -0.588 0.000 1.026 289 R CA -0.698 55.160 56.100 -0.403 0.000 1.002 289 R CB 1.723 31.887 30.300 -0.228 0.000 1.174 289 R HN 0.301 nan 8.270 nan 0.000 0.488 290 F N -0.139 119.818 119.950 0.012 0.000 2.518 290 F HA 0.242 4.771 4.527 0.004 0.000 0.323 290 F C 0.296 176.067 175.800 -0.047 0.000 1.129 290 F CA -1.018 57.007 58.000 0.041 0.000 0.920 290 F CB 2.113 41.201 39.000 0.147 0.000 1.160 290 F HN 0.407 nan 8.300 nan 0.000 0.440 291 T N -0.465 114.129 114.554 0.066 0.000 2.817 291 T HA 0.397 4.749 4.350 0.003 0.000 0.295 291 T C 0.855 175.482 174.700 -0.121 0.000 0.958 291 T CA -0.206 61.863 62.100 -0.052 0.000 1.157 291 T CB 1.513 70.332 68.868 -0.082 0.000 0.898 291 T HN 0.774 nan 8.240 nan 0.000 0.536 292 A N 2.933 125.574 122.820 -0.298 0.000 2.081 292 A HA 0.272 4.594 4.320 0.003 0.000 0.214 292 A C 0.867 178.358 177.584 -0.156 0.000 1.158 292 A CA 0.287 52.024 52.037 -0.500 0.000 0.724 292 A CB -0.048 18.538 19.000 -0.689 0.000 0.826 292 A HN 0.890 nan 8.150 nan 0.000 0.463 293 E N -0.454 119.676 120.200 -0.115 0.000 2.449 293 E HA 0.286 4.638 4.350 0.003 0.000 0.278 293 E C -1.748 174.800 176.600 -0.086 0.000 0.992 293 E CA -1.097 55.259 56.400 -0.073 0.000 0.807 293 E CB 0.943 30.601 29.700 -0.070 0.000 1.350 293 E HN 0.122 nan 8.360 nan 0.000 0.462 294 D N 1.031 121.382 120.400 -0.082 0.000 2.424 294 D HA 0.218 4.860 4.640 0.003 0.000 0.244 294 D C -0.655 175.560 176.300 -0.141 0.000 1.134 294 D CA 0.358 54.292 54.000 -0.110 0.000 0.881 294 D CB 1.005 41.750 40.800 -0.092 0.000 1.191 294 D HN -0.016 nan 8.370 nan 0.000 0.445 295 V N 1.915 121.718 119.914 -0.185 0.000 2.789 295 V HA 0.401 4.523 4.120 0.003 0.000 0.311 295 V C 0.120 176.017 176.094 -0.329 0.000 1.073 295 V CA -0.767 61.380 62.300 -0.254 0.000 0.921 295 V CB 2.460 34.156 31.823 -0.212 0.000 1.009 295 V HN 0.487 nan 8.190 nan 0.000 0.426 296 T N 3.629 117.919 114.554 -0.440 0.000 2.797 296 T HA 0.699 5.051 4.350 0.003 0.000 0.279 296 T C -1.236 173.077 174.700 -0.644 0.000 0.991 296 T CA -0.218 61.651 62.100 -0.385 0.000 0.979 296 T CB 0.655 69.386 68.868 -0.227 0.000 0.943 296 T HN 0.466 nan 8.240 nan 0.000 0.444 297 Y N 0.563 120.813 120.300 -0.083 0.000 2.391 297 Y HA 0.376 4.928 4.550 0.003 0.000 0.341 297 Y C 0.981 176.868 175.900 -0.022 0.000 0.965 297 Y CA -0.989 57.080 58.100 -0.052 0.000 1.067 297 Y CB 1.871 40.294 38.460 -0.060 0.000 1.199 297 Y HN 0.782 nan 8.280 nan 0.000 0.450 298 S N 2.066 117.840 115.700 0.123 0.000 3.581 298 S HA -0.220 4.252 4.470 0.003 0.000 0.354 298 S C 1.307 175.944 174.600 0.061 0.000 1.059 298 S CA 1.237 59.491 58.200 0.090 0.000 1.060 298 S CB -1.534 61.731 63.200 0.108 0.000 0.908 298 S HN 1.681 nan 8.310 nan 0.000 0.475 299 G N -1.917 106.899 108.800 0.027 0.000 2.253 299 G HA2 -0.306 3.656 3.960 0.003 0.000 0.251 299 G HA3 -0.306 3.656 3.960 0.003 0.000 0.251 299 G C 0.117 175.023 174.900 0.009 0.000 0.998 299 G CA 0.004 45.111 45.100 0.012 0.000 0.621 299 G HN 1.294 nan 8.290 nan 0.000 0.524 300 V N 2.142 122.073 119.914 0.029 0.000 2.407 300 V HA 0.569 4.691 4.120 0.003 0.000 0.278 300 V C 0.549 176.616 176.094 -0.045 0.000 1.037 300 V CA 0.104 62.425 62.300 0.034 0.000 0.900 300 V CB 1.517 33.406 31.823 0.109 0.000 0.983 300 V HN 0.263 nan 8.190 nan 0.000 0.459 301 T N 6.708 121.216 114.554 -0.078 0.000 2.744 301 T HA 0.536 4.888 4.350 0.003 0.000 0.291 301 T C 0.018 174.550 174.700 -0.282 0.000 0.957 301 T CA -0.070 61.938 62.100 -0.154 0.000 1.002 301 T CB 0.429 69.235 68.868 -0.104 0.000 0.919 301 T HN 0.385 nan 8.240 nan 0.000 0.468 302 I N 6.330 126.648 120.570 -0.420 0.000 2.312 302 I HA 0.269 4.441 4.170 0.003 0.000 0.291 302 I C -2.127 173.765 176.117 -0.376 0.000 1.031 302 I CA -2.531 58.338 61.300 -0.718 0.000 1.293 302 I CB 1.188 38.659 38.000 -0.882 0.000 1.403 302 I HN 0.294 nan 8.210 nan 0.000 0.484 303 P HA 0.093 nan 4.420 nan 0.000 0.272 303 P C -0.330 176.920 177.300 -0.083 0.000 1.230 303 P CA -0.346 62.694 63.100 -0.100 0.000 0.788 303 P CB 0.582 32.280 31.700 -0.004 0.000 0.949 304 A N 1.673 124.466 122.820 -0.044 0.000 2.555 304 A HA 0.392 4.714 4.320 0.003 0.000 0.233 304 A C 1.482 179.090 177.584 0.040 0.000 1.060 304 A CA 0.858 52.887 52.037 -0.013 0.000 0.759 304 A CB -1.537 17.463 19.000 0.000 0.000 0.995 304 A HN 0.896 nan 8.150 nan 0.000 0.506 305 G N 0.357 109.208 108.800 0.085 0.000 2.157 305 G HA2 -0.164 3.798 3.960 0.003 0.000 0.248 305 G HA3 -0.164 3.798 3.960 0.003 0.000 0.248 305 G C 0.001 175.007 174.900 0.177 0.000 0.979 305 G CA 0.426 45.610 45.100 0.140 0.000 0.650 305 G HN 0.815 nan 8.290 nan 0.000 0.529 306 E N -0.149 120.141 120.200 0.150 0.000 2.250 306 E HA 0.639 4.991 4.350 0.003 0.000 0.269 306 E C 0.615 177.322 176.600 0.178 0.000 1.018 306 E CA -0.545 55.973 56.400 0.197 0.000 0.873 306 E CB 0.917 30.707 29.700 0.149 0.000 1.134 306 E HN 0.386 nan 8.360 nan 0.000 0.403 307 M N 1.221 120.939 119.600 0.196 0.000 2.264 307 M HA 0.353 4.835 4.480 0.003 0.000 0.352 307 M C -0.708 175.611 176.300 0.033 0.000 1.173 307 M CA -0.785 54.509 55.300 -0.011 0.000 1.075 307 M CB 1.484 34.071 32.600 -0.022 0.000 1.621 307 M HN 0.044 nan 8.290 nan 0.000 0.457 308 V N 4.273 124.100 119.914 -0.144 0.000 2.569 308 V HA 0.445 4.567 4.120 0.003 0.000 0.301 308 V C -0.462 175.526 176.094 -0.177 0.000 1.044 308 V CA -0.634 61.611 62.300 -0.091 0.000 0.874 308 V CB 1.903 33.641 31.823 -0.141 0.000 1.002 308 V HN 0.893 nan 8.190 nan 0.000 0.424 309 M N 5.216 124.744 119.600 -0.120 0.000 2.209 309 M HA 0.536 5.018 4.480 0.003 0.000 0.355 309 M C -0.778 175.424 176.300 -0.162 0.000 1.171 309 M CA -0.390 54.827 55.300 -0.138 0.000 1.069 309 M CB 1.495 34.045 32.600 -0.083 0.000 1.622 309 M HN 0.426 nan 8.290 nan 0.000 0.459 310 L N 2.572 123.654 121.223 -0.234 0.000 2.265 310 L HA 0.379 4.721 4.340 0.003 0.000 0.288 310 L C 0.831 177.609 176.870 -0.152 0.000 1.058 310 L CA -0.527 54.138 54.840 -0.292 0.000 0.809 310 L CB 0.830 42.540 42.059 -0.582 0.000 1.179 310 L HN 0.829 nan 8.230 nan 0.000 0.429 311 G N 4.429 113.150 108.800 -0.132 0.000 2.519 311 G HA2 0.349 4.311 3.960 0.003 0.000 0.306 311 G HA3 0.349 4.311 3.960 0.003 0.000 0.306 311 G C 0.841 175.652 174.900 -0.148 0.000 0.965 311 G CA -0.427 44.596 45.100 -0.130 0.000 1.291 311 G HN 0.659 nan 8.290 nan 0.000 0.450 312 L N 2.347 123.526 121.223 -0.073 0.000 2.095 312 L HA -0.017 4.325 4.340 0.003 0.000 0.204 312 L C 3.118 179.971 176.870 -0.029 0.000 1.080 312 L CA 1.138 55.976 54.840 -0.004 0.000 0.759 312 L CB -0.461 41.649 42.059 0.084 0.000 0.914 312 L HN 0.511 nan 8.230 nan 0.000 0.439 313 A N 0.572 123.335 122.820 -0.096 0.000 1.940 313 A HA -0.175 4.147 4.320 0.003 0.000 0.219 313 A C 2.544 180.001 177.584 -0.212 0.000 1.176 313 A CA 1.930 53.914 52.037 -0.088 0.000 0.631 313 A CB -0.643 18.342 19.000 -0.025 0.000 0.814 313 A HN 0.405 nan 8.150 nan 0.000 0.446 314 A N -0.210 122.249 122.820 -0.601 0.000 1.855 314 A HA 0.214 4.536 4.320 0.003 0.000 0.215 314 A C 2.539 180.079 177.584 -0.072 0.000 1.191 314 A CA 2.027 53.805 52.037 -0.432 0.000 0.613 314 A CB -1.131 17.529 19.000 -0.568 0.000 0.829 314 A HN 1.088 nan 8.150 nan 0.000 0.442 315 A N 0.141 122.934 122.820 -0.045 0.000 1.933 315 A HA -0.187 4.135 4.320 0.003 0.000 0.218 315 A C 1.793 179.513 177.584 0.228 0.000 1.175 315 A CA 1.737 53.828 52.037 0.090 0.000 0.628 315 A CB -0.648 18.360 19.000 0.013 0.000 0.814 315 A HN 0.523 nan 8.150 nan 0.000 0.444 316 N N -0.352 118.469 118.700 0.201 0.000 2.520 316 N HA -0.050 4.692 4.740 0.003 0.000 0.185 316 N C 0.952 176.702 175.510 0.399 0.000 1.068 316 N CA 0.632 53.900 53.050 0.364 0.000 0.911 316 N CB -0.158 38.538 38.487 0.349 0.000 0.961 316 N HN 0.498 nan 8.380 nan 0.000 0.446 317 R N 0.287 120.930 120.500 0.238 0.000 2.633 317 R HA 0.105 4.447 4.340 0.003 0.000 0.348 317 R C -0.531 175.864 176.300 0.157 0.000 1.100 317 R CA -0.316 55.882 56.100 0.162 0.000 1.068 317 R CB 0.372 30.710 30.300 0.063 0.000 1.351 317 R HN 0.003 nan 8.270 nan 0.000 0.575 318 D N 0.662 121.201 120.400 0.233 0.000 2.339 318 D HA 0.085 4.727 4.640 0.003 0.000 0.256 318 D C 0.967 177.358 176.300 0.150 0.000 1.214 318 D CA -0.031 54.086 54.000 0.194 0.000 0.877 318 D CB 1.446 42.395 40.800 0.248 0.000 1.111 318 D HN 0.217 nan 8.370 nan 0.000 0.478 319 A N 4.251 127.123 122.820 0.087 0.000 2.070 319 A HA -0.177 4.145 4.320 0.003 0.000 0.220 319 A C 1.627 179.235 177.584 0.040 0.000 1.159 319 A CA 0.991 53.051 52.037 0.037 0.000 0.656 319 A CB -0.058 18.958 19.000 0.027 0.000 0.800 319 A HN 0.549 nan 8.150 nan 0.000 0.453 320 D N -2.157 118.294 120.400 0.085 0.000 2.309 320 D HA -0.122 4.520 4.640 0.003 0.000 0.212 320 D C 1.321 177.694 176.300 0.122 0.000 0.968 320 D CA 0.974 55.033 54.000 0.097 0.000 0.882 320 D CB -0.113 40.760 40.800 0.122 0.000 0.918 320 D HN 0.843 nan 8.370 nan 0.000 0.503 321 W N -0.082 121.136 121.300 -0.138 0.000 3.127 321 W HA 0.276 4.937 4.660 0.003 0.000 0.248 321 W C -0.087 176.292 176.519 -0.233 0.000 1.058 321 W CA -0.137 57.024 57.345 -0.306 0.000 1.783 321 W CB 0.188 29.175 29.460 -0.789 0.000 1.030 321 W HN -0.279 nan 8.180 nan 0.000 0.653 322 M N 3.749 123.081 119.600 -0.446 0.000 2.114 322 M HA 0.440 4.922 4.480 0.003 0.000 0.332 322 M C -2.620 173.500 176.300 -0.300 0.000 1.014 322 M CA -3.244 51.650 55.300 -0.677 0.000 0.956 322 M CB 1.125 33.277 32.600 -0.746 0.000 1.551 322 M HN -0.252 nan 8.290 nan 0.000 0.427 323 P HA 0.018 nan 4.420 nan 0.000 0.264 323 P C -0.937 176.294 177.300 -0.114 0.000 1.193 323 P CA 0.547 63.559 63.100 -0.148 0.000 0.763 323 P CB 0.092 31.710 31.700 -0.138 0.000 0.810 324 E N 2.240 122.401 120.200 -0.065 0.000 2.197 324 E HA -0.180 4.172 4.350 0.003 0.000 0.184 324 E C -1.347 175.236 176.600 -0.028 0.000 1.439 324 E CA -0.172 56.206 56.400 -0.036 0.000 0.688 324 E CB -0.885 28.796 29.700 -0.032 0.000 1.090 324 E HN 0.525 nan 8.360 nan 0.000 0.341 325 P HA -0.139 nan 4.420 nan 0.000 0.223 325 P C 0.570 177.897 177.300 0.046 0.000 1.151 325 P CA 0.966 64.065 63.100 -0.002 0.000 0.787 325 P CB 0.296 32.006 31.700 0.016 0.000 0.788 326 D N -0.640 119.787 120.400 0.044 0.000 2.355 326 D HA -0.020 4.622 4.640 0.003 0.000 0.218 326 D C 1.111 177.545 176.300 0.223 0.000 1.004 326 D CA 0.421 54.464 54.000 0.071 0.000 0.880 326 D CB -0.230 40.589 40.800 0.032 0.000 0.911 326 D HN 0.239 nan 8.370 nan 0.000 0.528 327 R N 1.251 121.841 120.500 0.149 0.000 2.254 327 R HA 0.258 4.600 4.340 0.003 0.000 0.318 327 R C -0.589 175.725 176.300 0.023 0.000 1.031 327 R CA -0.695 55.468 56.100 0.106 0.000 0.905 327 R CB 0.540 30.856 30.300 0.027 0.000 1.050 327 R HN -0.095 nan 8.270 nan 0.000 0.456 328 L N 4.563 125.650 121.223 -0.226 0.000 2.369 328 L HA 0.241 4.583 4.340 0.003 0.000 0.279 328 L C -1.090 175.564 176.870 -0.359 0.000 1.108 328 L CA 0.582 55.041 54.840 -0.634 0.000 0.852 328 L CB 0.924 42.099 42.059 -1.472 0.000 1.169 328 L HN 0.653 nan 8.230 nan 0.000 0.452 329 D N 4.490 124.724 120.400 -0.276 0.000 2.386 329 D HA 0.151 4.793 4.640 0.003 0.000 0.247 329 D C 0.757 176.925 176.300 -0.221 0.000 1.336 329 D CA -0.373 53.505 54.000 -0.204 0.000 0.976 329 D CB 0.774 41.488 40.800 -0.143 0.000 1.257 329 D HN 0.580 nan 8.370 nan 0.000 0.570 330 I N 1.123 121.548 120.570 -0.242 0.000 3.334 330 I HA 0.044 4.216 4.170 0.003 0.000 0.282 330 I C 1.084 177.076 176.117 -0.209 0.000 1.313 330 I CA 0.814 61.942 61.300 -0.286 0.000 1.396 330 I CB -0.258 37.553 38.000 -0.314 0.000 1.054 330 I HN 0.245 nan 8.210 nan 0.000 0.495 331 T N -2.346 112.114 114.554 -0.156 0.000 3.040 331 T HA 0.259 4.611 4.350 0.003 0.000 0.250 331 T C 1.011 175.648 174.700 -0.105 0.000 1.058 331 T CA -0.410 61.621 62.100 -0.116 0.000 0.988 331 T CB -0.126 68.687 68.868 -0.091 0.000 0.993 331 T HN 0.307 nan 8.240 nan 0.000 0.519 332 R N 1.726 122.153 120.500 -0.121 0.000 2.619 332 R HA 0.075 4.417 4.340 0.003 0.000 0.268 332 R C -0.727 175.522 176.300 -0.084 0.000 0.990 332 R CA 0.394 56.428 56.100 -0.112 0.000 1.092 332 R CB 0.023 30.243 30.300 -0.134 0.000 0.935 332 R HN 0.286 nan 8.270 nan 0.000 0.415 333 D N 1.579 121.937 120.400 -0.071 0.000 2.781 333 D HA 0.229 4.871 4.640 0.003 0.000 0.254 333 D C -0.600 175.687 176.300 -0.022 0.000 1.213 333 D CA -0.006 53.971 54.000 -0.039 0.000 0.994 333 D CB 0.427 41.206 40.800 -0.035 0.000 1.019 333 D HN 0.565 nan 8.370 nan 0.000 0.514 334 A N 1.172 123.992 122.820 0.000 0.000 2.304 334 A HA 0.633 4.955 4.320 0.003 0.000 0.271 334 A C 0.255 177.921 177.584 0.138 0.000 1.091 334 A CA -0.477 51.585 52.037 0.042 0.000 0.812 334 A CB 0.671 19.718 19.000 0.078 0.000 1.056 334 A HN 0.412 nan 8.150 nan 0.000 0.489 335 S N 0.108 115.929 115.700 0.202 0.000 2.548 335 S HA 0.835 5.307 4.470 0.003 0.000 0.286 335 S C 0.301 175.133 174.600 0.385 0.000 1.098 335 S CA 0.303 58.644 58.200 0.236 0.000 0.930 335 S CB 1.195 64.493 63.200 0.163 0.000 1.070 335 S HN 2.773 nan 8.310 nan 0.000 0.480 336 G N 1.217 110.172 108.800 0.258 0.000 2.488 336 G HA2 0.384 4.346 3.960 0.003 0.000 0.237 336 G HA3 0.384 4.346 3.960 0.003 0.000 0.237 336 G C 0.636 175.584 174.900 0.080 0.000 1.209 336 G CA 0.228 45.421 45.100 0.155 0.000 0.929 336 G HN 2.887 nan 8.290 nan 0.000 0.578 337 G N -3.305 105.386 108.800 -0.181 0.000 2.663 337 G HA2 0.413 4.375 3.960 0.003 0.000 0.686 337 G HA3 0.413 4.375 3.960 0.003 0.000 0.686 337 G C 0.508 175.043 174.900 -0.608 0.000 1.288 337 G CA 1.139 45.971 45.100 -0.446 0.000 0.836 337 G HN 2.416 nan 8.290 nan 0.000 0.584 338 V N -2.334 117.248 119.914 -0.552 0.000 3.276 338 V HA 0.445 4.567 4.120 0.003 0.000 0.319 338 V C 1.809 177.716 176.094 -0.312 0.000 1.476 338 V CA 1.208 63.256 62.300 -0.420 0.000 1.097 338 V CB -0.880 30.831 31.823 -0.188 0.000 0.988 338 V HN 1.455 nan 8.190 nan 0.000 0.473 339 F N -0.415 119.475 119.950 -0.099 0.000 2.293 339 F HA 0.287 4.815 4.527 0.003 0.000 0.300 339 F C 1.551 177.160 175.800 -0.318 0.000 1.086 339 F CA 0.931 58.808 58.000 -0.205 0.000 1.375 339 F CB -1.003 37.819 39.000 -0.297 0.000 1.045 339 F HN 0.174 nan 8.300 nan 0.000 0.516 340 F N 0.988 120.846 119.950 -0.154 0.000 2.639 340 F HA 0.527 5.056 4.527 0.004 0.000 0.300 340 F C 1.473 176.911 175.800 -0.602 0.000 1.109 340 F CA 0.002 57.774 58.000 -0.381 0.000 1.335 340 F CB 0.015 38.601 39.000 -0.689 0.000 1.014 340 F HN 0.292 nan 8.300 nan 0.000 0.537 341 G N 0.827 109.415 108.800 -0.353 0.000 2.593 341 G HA2 -0.209 3.753 3.960 0.003 0.000 0.237 341 G HA3 -0.209 3.753 3.960 0.003 0.000 0.237 341 G C -1.288 173.240 174.900 -0.619 0.000 1.312 341 G CA -0.255 44.344 45.100 -0.835 0.000 0.896 341 G HN 0.591 nan 8.290 nan 0.000 0.574 342 H N -0.921 117.663 119.070 -0.810 0.000 3.136 342 H HA 0.659 5.217 4.556 0.004 0.000 0.313 342 H C 0.468 175.704 175.328 -0.154 0.000 1.103 342 H CA 1.921 57.758 56.048 -0.352 0.000 1.437 342 H CB 0.870 30.332 29.762 -0.500 0.000 2.063 342 H HN 2.701 nan 8.280 nan 0.000 0.495 343 G N 2.690 111.218 108.800 -0.453 0.000 2.508 343 G HA2 -0.226 3.736 3.960 0.003 0.000 0.220 343 G HA3 -0.226 3.736 3.960 0.003 0.000 0.220 343 G C 1.287 176.132 174.900 -0.092 0.000 1.287 343 G CA 0.218 45.126 45.100 -0.320 0.000 0.916 343 G HN 1.319 nan 8.290 nan 0.000 0.574 344 I N -2.440 118.079 120.570 -0.085 0.000 2.614 344 I HA 0.086 4.258 4.170 0.003 0.000 0.258 344 I C 1.619 177.668 176.117 -0.113 0.000 1.189 344 I CA 1.906 63.142 61.300 -0.106 0.000 1.462 344 I CB -0.264 37.617 38.000 -0.199 0.000 1.092 344 I HN 0.463 nan 8.210 nan 0.000 0.442 345 H N 0.613 119.698 119.070 0.026 0.000 2.520 345 H HA 0.220 4.778 4.556 0.003 0.000 0.284 345 H C -0.009 175.366 175.328 0.078 0.000 1.037 345 H CA -0.547 55.538 56.048 0.062 0.000 1.168 345 H CB -0.102 29.666 29.762 0.010 0.000 1.497 345 H HN 0.340 nan 8.280 nan 0.000 0.547 346 F N 2.082 122.035 119.950 0.005 0.000 2.623 346 F HA -0.081 4.448 4.527 0.003 0.000 0.383 346 F C 0.959 176.747 175.800 -0.020 0.000 1.077 346 F CA -0.387 57.584 58.000 -0.049 0.000 1.268 346 F CB 0.383 39.333 39.000 -0.084 0.000 1.053 346 F HN 0.142 nan 8.300 nan 0.000 0.571 347 C N 8.872 127.783 119.300 -0.649 0.000 2.106 347 C HA -0.125 4.337 4.460 0.003 0.000 0.402 347 C C 1.795 176.592 174.990 -0.323 0.000 1.548 347 C CA -0.092 58.665 59.018 -0.436 0.000 1.432 347 C CB -1.798 25.631 27.740 -0.517 0.000 2.584 347 C HN 1.033 nan 8.230 nan 0.000 0.604 348 L N 6.011 127.106 121.223 -0.214 0.000 2.131 348 L HA 0.150 4.492 4.340 0.003 0.000 0.210 348 L C 2.134 178.823 176.870 -0.302 0.000 1.092 348 L CA 2.429 57.119 54.840 -0.250 0.000 0.759 348 L CB -0.469 41.359 42.059 -0.386 0.000 0.903 348 L HN 0.884 nan 8.230 nan 0.000 0.435 349 G N -2.099 106.519 108.800 -0.303 0.000 3.448 349 G HA2 0.283 4.245 3.960 0.003 0.000 0.261 349 G HA3 0.283 4.245 3.960 0.003 0.000 0.261 349 G C 1.341 176.106 174.900 -0.224 0.000 1.173 349 G CA 0.375 45.367 45.100 -0.180 0.000 0.835 349 G HN 0.516 nan 8.290 nan 0.000 0.534 350 A N 0.518 123.073 122.820 -0.441 0.000 1.902 350 A HA -0.111 4.211 4.320 0.003 0.000 0.217 350 A C 2.221 179.572 177.584 -0.388 0.000 1.181 350 A CA 2.054 53.538 52.037 -0.922 0.000 0.623 350 A CB -0.221 18.175 19.000 -1.006 0.000 0.818 350 A HN 0.409 nan 8.150 nan 0.000 0.443 351 Q N -0.711 119.013 119.800 -0.127 0.000 2.079 351 Q HA -0.104 4.238 4.340 0.003 0.000 0.200 351 Q C 1.855 177.874 176.000 0.032 0.000 0.974 351 Q CA 1.570 57.372 55.803 -0.001 0.000 0.840 351 Q CB -0.535 28.226 28.738 0.039 0.000 0.898 351 Q HN 0.478 nan 8.270 nan 0.000 0.430 352 L N 0.255 121.505 121.223 0.046 0.000 1.990 352 L HA -0.134 4.208 4.340 0.003 0.000 0.213 352 L C 2.112 179.025 176.870 0.071 0.000 1.072 352 L CA 2.483 57.367 54.840 0.072 0.000 0.755 352 L CB -1.308 40.829 42.059 0.129 0.000 0.889 352 L HN 0.266 nan 8.230 nan 0.000 0.432 353 A N -0.749 122.115 122.820 0.072 0.000 1.902 353 A HA -0.240 4.082 4.320 0.003 0.000 0.217 353 A C 2.432 180.128 177.584 0.187 0.000 1.181 353 A CA 1.910 54.039 52.037 0.152 0.000 0.623 353 A CB -0.558 18.607 19.000 0.275 0.000 0.818 353 A HN 0.498 nan 8.150 nan 0.000 0.443 354 R N -1.292 119.323 120.500 0.192 0.000 2.073 354 R HA -0.106 4.236 4.340 0.003 0.000 0.234 354 R C 2.037 178.413 176.300 0.127 0.000 1.134 354 R CA 1.412 57.629 56.100 0.195 0.000 0.952 354 R CB -0.497 29.916 30.300 0.187 0.000 0.850 354 R HN 0.402 nan 8.270 nan 0.000 0.433 355 L N 1.407 122.687 121.223 0.095 0.000 1.994 355 L HA -0.172 4.170 4.340 0.003 0.000 0.208 355 L C 1.979 178.890 176.870 0.068 0.000 1.071 355 L CA 1.775 56.658 54.840 0.071 0.000 0.745 355 L CB -0.767 41.323 42.059 0.053 0.000 0.892 355 L HN 0.187 nan 8.230 nan 0.000 0.431 356 E N -1.141 119.096 120.200 0.062 0.000 2.097 356 E HA -0.222 4.130 4.350 0.003 0.000 0.196 356 E C 2.059 178.696 176.600 0.061 0.000 1.000 356 E CA 1.158 57.583 56.400 0.043 0.000 0.804 356 E CB -0.441 29.276 29.700 0.028 0.000 0.740 356 E HN 0.617 nan 8.360 nan 0.000 0.454 357 G N 0.598 109.458 108.800 0.100 0.000 2.403 357 G HA2 -0.220 3.742 3.960 0.003 0.000 0.216 357 G HA3 -0.220 3.742 3.960 0.003 0.000 0.216 357 G C 1.515 176.503 174.900 0.148 0.000 1.154 357 G CA 0.313 45.491 45.100 0.130 0.000 0.784 357 G HN 0.075 nan 8.290 nan 0.000 0.538 358 R N -0.204 120.372 120.500 0.126 0.000 2.066 358 R HA 0.027 4.369 4.340 0.003 0.000 0.232 358 R C 2.667 179.038 176.300 0.118 0.000 1.131 358 R CA 1.049 57.219 56.100 0.118 0.000 0.955 358 R CB -0.570 29.782 30.300 0.086 0.000 0.851 358 R HN 0.252 nan 8.270 nan 0.000 0.432 359 V N 1.156 121.129 119.914 0.098 0.000 2.237 359 V HA -0.279 3.843 4.120 0.003 0.000 0.245 359 V C 2.455 178.632 176.094 0.138 0.000 1.046 359 V CA 2.101 64.459 62.300 0.098 0.000 1.007 359 V CB -0.871 30.991 31.823 0.065 0.000 0.638 359 V HN 0.444 nan 8.190 nan 0.000 0.445 360 A N -0.117 122.775 122.820 0.120 0.000 1.873 360 A HA -0.224 4.098 4.320 0.003 0.000 0.218 360 A C 2.173 179.958 177.584 0.336 0.000 1.193 360 A CA 2.401 54.538 52.037 0.167 0.000 0.629 360 A CB -0.621 18.380 19.000 0.002 0.000 0.826 360 A HN 0.532 nan 8.150 nan 0.000 0.447 361 I N -0.808 119.929 120.570 0.277 0.000 2.233 361 I HA -0.098 4.074 4.170 0.003 0.000 0.243 361 I C 2.751 179.075 176.117 0.344 0.000 1.093 361 I CA 0.929 62.430 61.300 0.335 0.000 1.380 361 I CB -0.766 37.398 38.000 0.273 0.000 1.067 361 I HN 0.392 nan 8.210 nan 0.000 0.413 362 G N 1.099 110.042 108.800 0.238 0.000 2.459 362 G HA2 -0.210 3.752 3.960 0.003 0.000 0.217 362 G HA3 -0.210 3.752 3.960 0.003 0.000 0.217 362 G C 1.824 176.842 174.900 0.196 0.000 1.183 362 G CA 0.439 45.652 45.100 0.189 0.000 0.776 362 G HN 0.176 nan 8.290 nan 0.000 0.552 363 R N -0.291 120.319 120.500 0.183 0.000 2.066 363 R HA -0.001 4.341 4.340 0.003 0.000 0.232 363 R C 2.526 178.899 176.300 0.122 0.000 1.131 363 R CA 1.086 57.275 56.100 0.148 0.000 0.955 363 R CB -1.145 29.245 30.300 0.150 0.000 0.851 363 R HN 0.413 nan 8.270 nan 0.000 0.432 364 L N 0.589 121.897 121.223 0.142 0.000 1.997 364 L HA -0.195 4.147 4.340 0.003 0.000 0.216 364 L C 2.060 178.863 176.870 -0.112 0.000 1.074 364 L CA 1.893 56.692 54.840 -0.069 0.000 0.763 364 L CB -0.731 41.252 42.059 -0.127 0.000 0.890 364 L HN -0.005 nan 8.230 nan 0.000 0.434 365 F N -0.416 119.533 119.950 -0.002 0.000 2.325 365 F HA -0.007 4.522 4.527 0.004 0.000 0.299 365 F C 2.415 178.217 175.800 0.002 0.000 1.090 365 F CA 0.998 58.997 58.000 -0.001 0.000 1.392 365 F CB -1.016 37.998 39.000 0.022 0.000 1.053 365 F HN 0.224 nan 8.300 nan 0.000 0.521 366 A N -0.133 122.791 122.820 0.173 0.000 1.858 366 A HA -0.276 4.046 4.320 0.003 0.000 0.216 366 A C 1.871 179.478 177.584 0.040 0.000 1.190 366 A CA 2.342 54.437 52.037 0.096 0.000 0.617 366 A CB -1.037 18.015 19.000 0.085 0.000 0.827 366 A HN 0.352 nan 8.150 nan 0.000 0.443 367 D N -1.634 118.769 120.400 0.005 0.000 2.194 367 D HA -0.028 4.614 4.640 0.003 0.000 0.204 367 D C 0.629 176.889 176.300 -0.067 0.000 0.964 367 D CA 0.653 54.634 54.000 -0.031 0.000 0.846 367 D CB 0.181 40.954 40.800 -0.046 0.000 0.962 367 D HN 0.097 nan 8.370 nan 0.000 0.490 368 R N -0.002 120.430 120.500 -0.113 0.000 2.651 368 R HA 0.232 4.574 4.340 0.003 0.000 0.282 368 R C -2.202 174.006 176.300 -0.153 0.000 1.565 368 R CA -1.506 54.501 56.100 -0.156 0.000 1.661 368 R CB 0.912 31.067 30.300 -0.242 0.000 1.189 368 R HN 0.158 nan 8.270 nan 0.000 0.621 369 P HA -0.011 nan 4.420 nan 0.000 0.230 369 P C 0.292 177.581 177.300 -0.018 0.000 1.158 369 P CA 0.803 63.900 63.100 -0.005 0.000 0.769 369 P CB 0.440 32.153 31.700 0.022 0.000 0.807 370 E N -0.851 119.315 120.200 -0.056 0.000 2.444 370 E HA 0.087 4.439 4.350 0.003 0.000 0.191 370 E C 0.222 176.773 176.600 -0.082 0.000 1.041 370 E CA -0.586 55.785 56.400 -0.048 0.000 0.883 370 E CB -0.190 29.486 29.700 -0.039 0.000 1.024 370 E HN 0.108 nan 8.360 nan 0.000 0.470 371 L N 1.698 122.828 121.223 -0.155 0.000 2.615 371 L HA 0.005 4.347 4.340 0.003 0.000 0.284 371 L C -0.368 176.433 176.870 -0.114 0.000 1.237 371 L CA 0.615 55.331 54.840 -0.208 0.000 0.905 371 L CB 0.291 42.084 42.059 -0.443 0.000 1.149 371 L HN 0.027 nan 8.230 nan 0.000 0.499 372 A N 5.100 127.867 122.820 -0.089 0.000 2.606 372 A HA 0.574 4.896 4.320 0.003 0.000 0.293 372 A C -1.032 176.529 177.584 -0.039 0.000 1.082 372 A CA -0.864 51.149 52.037 -0.041 0.000 0.685 372 A CB 0.681 19.665 19.000 -0.026 0.000 1.284 372 A HN 0.695 nan 8.150 nan 0.000 0.408 373 L N 0.841 122.054 121.223 -0.017 0.000 2.485 373 L HA 0.289 4.631 4.340 0.003 0.000 0.275 373 L C 1.303 178.160 176.870 -0.020 0.000 1.207 373 L CA 0.342 55.173 54.840 -0.016 0.000 0.855 373 L CB 1.210 43.269 42.059 -0.001 0.000 1.114 373 L HN 0.932 nan 8.230 nan 0.000 0.485 374 A N 3.832 126.637 122.820 -0.024 0.000 2.465 374 A HA 0.444 4.766 4.320 0.003 0.000 0.255 374 A C 0.058 177.631 177.584 -0.018 0.000 1.274 374 A CA -0.015 52.008 52.037 -0.024 0.000 0.920 374 A CB 0.004 18.986 19.000 -0.029 0.000 1.033 374 A HN 0.491 nan 8.150 nan 0.000 0.516 375 V N -4.890 115.015 119.914 -0.015 0.000 3.156 375 V HA 0.918 5.040 4.120 0.003 0.000 0.310 375 V C 0.326 176.418 176.094 -0.002 0.000 1.234 375 V CA -0.539 61.755 62.300 -0.010 0.000 1.065 375 V CB 0.812 32.627 31.823 -0.013 0.000 1.088 375 V HN 0.421 nan 8.190 nan 0.000 0.451 376 G N -0.158 108.644 108.800 0.003 0.000 2.442 376 G HA2 0.401 4.363 3.960 0.003 0.000 0.249 376 G HA3 0.401 4.363 3.960 0.003 0.000 0.249 376 G C 0.532 175.444 174.900 0.020 0.000 1.263 376 G CA -0.277 44.830 45.100 0.011 0.000 0.846 376 G HN 1.044 nan 8.290 nan 0.000 0.555 377 L N 1.375 122.614 121.223 0.027 0.000 2.021 377 L HA -0.207 4.135 4.340 0.003 0.000 0.215 377 L C 2.535 179.443 176.870 0.064 0.000 1.074 377 L CA 2.612 57.480 54.840 0.047 0.000 0.760 377 L CB -0.225 41.862 42.059 0.048 0.000 0.889 377 L HN 0.862 nan 8.230 nan 0.000 0.433 378 D N -1.913 118.518 120.400 0.052 0.000 2.378 378 D HA -0.171 4.471 4.640 0.003 0.000 0.227 378 D C 1.278 177.612 176.300 0.057 0.000 1.012 378 D CA 0.554 54.589 54.000 0.058 0.000 0.905 378 D CB -0.039 40.786 40.800 0.041 0.000 0.895 378 D HN 0.503 nan 8.370 nan 0.000 0.532 379 E N 0.170 120.396 120.200 0.043 0.000 2.481 379 E HA 0.150 4.502 4.350 0.003 0.000 0.198 379 E C 0.347 176.960 176.600 0.021 0.000 1.027 379 E CA -0.332 56.087 56.400 0.031 0.000 0.900 379 E CB 0.506 30.215 29.700 0.015 0.000 0.993 379 E HN 0.327 nan 8.360 nan 0.000 0.482 380 L N 2.078 123.313 121.223 0.020 0.000 2.485 380 L HA 0.040 4.382 4.340 0.003 0.000 0.275 380 L C -0.058 176.787 176.870 -0.041 0.000 1.207 380 L CA -0.092 54.720 54.840 -0.047 0.000 0.855 380 L CB 0.633 42.639 42.059 -0.088 0.000 1.114 380 L HN -0.081 nan 8.230 nan 0.000 0.485 381 V N 3.981 123.824 119.914 -0.119 0.000 2.370 381 V HA 0.282 4.404 4.120 0.003 0.000 0.283 381 V C -0.395 175.595 176.094 -0.173 0.000 1.023 381 V CA -0.532 61.734 62.300 -0.056 0.000 0.857 381 V CB 1.071 32.870 31.823 -0.041 0.000 0.985 381 V HN 0.374 nan 8.190 nan 0.000 0.443 382 Y N 3.333 123.657 120.300 0.040 0.000 2.376 382 Y HA 0.533 5.085 4.550 0.004 0.000 0.325 382 Y C 1.041 176.935 175.900 -0.011 0.000 1.199 382 Y CA -0.653 57.475 58.100 0.046 0.000 1.206 382 Y CB 1.050 39.573 38.460 0.105 0.000 1.229 382 Y HN 0.496 nan 8.280 nan 0.000 0.480 383 R N 1.604 122.190 120.500 0.143 0.000 2.590 383 R HA 0.216 4.558 4.340 0.003 0.000 0.274 383 R C -0.459 175.734 176.300 -0.178 0.000 1.061 383 R CA -0.276 55.819 56.100 -0.009 0.000 1.081 383 R CB 0.351 30.667 30.300 0.028 0.000 0.984 383 R HN 0.512 nan 8.270 nan 0.000 0.448 384 R N 1.443 121.654 120.500 -0.482 0.000 2.248 384 R HA 0.160 4.502 4.340 0.003 0.000 0.337 384 R C -0.523 175.427 176.300 -0.583 0.000 1.106 384 R CA -0.012 55.392 56.100 -1.159 0.000 0.959 384 R CB 1.051 30.644 30.300 -1.179 0.000 1.075 384 R HN 0.444 nan 8.270 nan 0.000 0.480 385 S N 0.562 116.077 115.700 -0.308 0.000 2.543 385 S HA 0.127 4.599 4.470 0.003 0.000 0.273 385 S C 0.516 175.381 174.600 0.441 0.000 1.152 385 S CA -0.741 57.520 58.200 0.102 0.000 0.910 385 S CB 1.544 64.814 63.200 0.117 0.000 1.105 385 S HN 0.620 nan 8.310 nan 0.000 0.465 386 T N 2.375 117.137 114.554 0.346 0.000 3.144 386 T HA 0.218 4.570 4.350 0.003 0.000 0.249 386 T C 1.112 175.966 174.700 0.257 0.000 1.089 386 T CA 0.251 62.564 62.100 0.354 0.000 0.989 386 T CB 0.049 68.959 68.868 0.070 0.000 0.992 386 T HN 0.412 nan 8.240 nan 0.000 0.540 387 L N 1.400 122.758 121.223 0.225 0.000 2.526 387 L HA 0.518 4.860 4.340 0.003 0.000 0.210 387 L C 0.268 177.255 176.870 0.194 0.000 1.048 387 L CA 0.305 55.249 54.840 0.172 0.000 0.852 387 L CB 0.981 43.113 42.059 0.123 0.000 1.128 387 L HN 0.302 nan 8.230 nan 0.000 0.482 388 V N -1.104 118.937 119.914 0.212 0.000 2.680 388 V HA 0.645 4.767 4.120 0.003 0.000 0.309 388 V C -0.424 175.816 176.094 0.243 0.000 1.052 388 V CA -0.857 61.565 62.300 0.204 0.000 0.908 388 V CB 1.610 33.537 31.823 0.173 0.000 1.001 388 V HN 0.334 nan 8.190 nan 0.000 0.431 389 R N 2.825 123.457 120.500 0.220 0.000 2.233 389 R HA 0.773 5.115 4.340 0.003 0.000 0.334 389 R C -0.129 176.333 176.300 0.269 0.000 1.037 389 R CA 0.554 56.783 56.100 0.215 0.000 0.920 389 R CB 0.658 31.040 30.300 0.137 0.000 1.137 389 R HN 1.395 nan 8.270 nan 0.000 0.492 390 G N 3.444 112.458 108.800 0.357 0.000 2.742 390 G HA2 0.376 4.338 3.960 0.003 0.000 0.296 390 G HA3 0.376 4.338 3.960 0.003 0.000 0.296 390 G C -1.495 173.548 174.900 0.239 0.000 1.436 390 G CA -0.862 44.411 45.100 0.288 0.000 0.928 390 G HN 0.449 nan 8.290 nan 0.000 0.520 391 L N 1.398 122.629 121.223 0.012 0.000 2.349 391 L HA 0.259 4.601 4.340 0.003 0.000 0.275 391 L C 1.920 178.716 176.870 -0.124 0.000 1.115 391 L CA -0.394 54.282 54.840 -0.272 0.000 0.820 391 L CB 1.731 43.614 42.059 -0.293 0.000 1.135 391 L HN 0.654 nan 8.230 nan 0.000 0.445 392 S N 2.860 118.472 115.700 -0.148 0.000 2.355 392 S HA 0.056 4.528 4.470 0.003 0.000 0.222 392 S C 0.686 175.226 174.600 -0.100 0.000 1.031 392 S CA 1.055 59.197 58.200 -0.095 0.000 0.993 392 S CB 0.145 63.292 63.200 -0.087 0.000 0.859 392 S HN 0.632 nan 8.310 nan 0.000 0.453 393 R N -0.771 119.660 120.500 -0.115 0.000 2.710 393 R HA 0.463 4.805 4.340 0.003 0.000 0.270 393 R C -1.321 174.920 176.300 -0.098 0.000 1.021 393 R CA -0.375 55.670 56.100 -0.091 0.000 0.889 393 R CB 1.517 31.769 30.300 -0.079 0.000 1.243 393 R HN 0.232 nan 8.270 nan 0.000 0.464 394 M N 2.837 122.399 119.600 -0.064 0.000 1.980 394 M HA 0.352 4.834 4.480 0.003 0.000 0.282 394 M C -2.679 173.596 176.300 -0.042 0.000 0.878 394 M CA -1.921 53.345 55.300 -0.057 0.000 0.900 394 M CB 1.834 34.413 32.600 -0.036 0.000 1.577 394 M HN 0.200 nan 8.290 nan 0.000 0.396 395 P HA 0.174 nan 4.420 nan 0.000 0.271 395 P C -0.893 176.384 177.300 -0.038 0.000 1.233 395 P CA -0.147 62.930 63.100 -0.038 0.000 0.764 395 P CB 0.616 32.295 31.700 -0.035 0.000 0.825 396 V N 0.839 120.726 119.914 -0.045 0.000 3.102 396 V HA 0.735 4.857 4.120 0.003 0.000 0.312 396 V C -0.537 175.521 176.094 -0.060 0.000 1.135 396 V CA -0.742 61.525 62.300 -0.056 0.000 1.022 396 V CB 2.115 33.891 31.823 -0.078 0.000 1.056 396 V HN 0.312 nan 8.190 nan 0.000 0.436 397 T N 4.361 118.876 114.554 -0.065 0.000 2.756 397 T HA 0.394 4.746 4.350 0.003 0.000 0.290 397 T C 1.038 175.682 174.700 -0.093 0.000 0.985 397 T CA -0.513 61.547 62.100 -0.066 0.000 0.955 397 T CB 1.227 70.064 68.868 -0.052 0.000 0.930 397 T HN 0.639 nan 8.240 nan 0.000 0.451 398 M N 1.844 121.383 119.600 -0.102 0.000 2.175 398 M HA 0.121 4.603 4.480 0.003 0.000 0.264 398 M C 1.558 177.784 176.300 -0.123 0.000 1.063 398 M CA 1.159 56.377 55.300 -0.136 0.000 1.119 398 M CB -1.598 30.923 32.600 -0.131 0.000 1.377 398 M HN 0.991 nan 8.290 nan 0.000 0.415 399 G N 1.043 109.790 108.800 -0.087 0.000 2.828 399 G HA2 -0.155 3.807 3.960 0.003 0.000 0.463 399 G HA3 -0.155 3.807 3.960 0.003 0.000 0.463 399 G C -2.714 172.147 174.900 -0.066 0.000 1.394 399 G CA -0.858 44.200 45.100 -0.070 0.000 0.862 399 G HN 0.240 nan 8.290 nan 0.000 0.540 400 P HA 0.244 nan 4.420 nan 0.000 0.271 400 P C 0.455 177.727 177.300 -0.047 0.000 1.218 400 P CA -0.103 62.971 63.100 -0.042 0.000 0.780 400 P CB 0.575 32.257 31.700 -0.030 0.000 0.901 401 R N 0.742 121.217 120.500 -0.042 0.000 2.863 401 R HA 0.253 4.595 4.340 0.003 0.000 0.273 401 R C 0.883 177.166 176.300 -0.028 0.000 1.057 401 R CA -0.059 56.017 56.100 -0.040 0.000 1.191 401 R CB -0.024 30.256 30.300 -0.033 0.000 1.104 401 R HN 0.472 nan 8.270 nan 0.000 0.519 402 S N -0.577 115.110 115.700 -0.022 0.000 2.654 402 S HA 0.493 4.965 4.470 0.003 0.000 0.283 402 S C -0.089 174.508 174.600 -0.005 0.000 1.180 402 S CA -0.568 57.626 58.200 -0.010 0.000 1.021 402 S CB 1.436 64.635 63.200 -0.003 0.000 1.018 402 S HN 0.615 nan 8.310 nan 0.000 0.532 403 A N 0.000 122.819 122.820 -0.001 0.000 2.254 403 A HA 0.000 4.322 4.320 0.003 0.000 0.244 403 A CA 0.000 52.037 52.037 0.001 0.000 0.836 403 A CB 0.000 19.001 19.000 0.002 0.000 0.831 403 A HN 0.000 nan 8.150 nan 0.000 0.486