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 3a4z_1_A 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 0.000 177.559 177.584 -0.042 0.000 1.274 2 A CA 0.000 52.023 52.037 -0.024 0.000 0.836 2 A CB 0.000 18.989 19.000 -0.019 0.000 0.831 3 L N 1.349 122.537 121.223 -0.058 0.000 2.325 3 L HA 0.755 5.092 4.340 -0.005 0.000 0.279 3 L C 0.460 177.284 176.870 -0.077 0.000 1.054 3 L CA -0.345 54.453 54.840 -0.070 0.000 0.804 3 L CB 1.850 43.862 42.059 -0.079 0.000 1.200 3 L HN 1.013 nan 8.230 nan 0.000 0.436 4 T N -2.456 112.061 114.554 -0.062 0.000 2.896 4 T HA 0.439 4.786 4.350 -0.005 0.000 0.297 4 T C -0.189 174.492 174.700 -0.032 0.000 1.108 4 T CA -0.854 61.216 62.100 -0.051 0.000 1.004 4 T CB 1.684 70.521 68.868 -0.051 0.000 1.159 4 T HN 0.575 nan 8.240 nan 0.000 0.499 5 T N 0.725 115.278 114.554 -0.002 0.000 2.916 5 T HA 0.458 4.805 4.350 -0.005 0.000 0.303 5 T C 0.845 175.545 174.700 0.000 0.000 1.025 5 T CA -0.426 61.689 62.100 0.024 0.000 1.142 5 T CB 0.082 69.008 68.868 0.097 0.000 0.947 5 T HN 1.035 nan 8.240 nan 0.000 0.544 6 T N 0.222 114.779 114.554 0.005 0.000 2.849 6 T HA 0.670 5.017 4.350 -0.005 0.000 0.284 6 T C 0.922 175.628 174.700 0.010 0.000 1.004 6 T CA 0.044 62.143 62.100 -0.002 0.000 1.021 6 T CB 0.714 69.582 68.868 -0.001 0.000 1.013 6 T HN 1.852 nan 8.240 nan 0.000 0.527 7 G N 1.012 109.813 108.800 0.002 0.000 2.416 7 G HA2 -0.131 3.826 3.960 -0.005 0.000 0.203 7 G HA3 -0.131 3.826 3.960 -0.005 0.000 0.203 7 G C 0.845 175.744 174.900 -0.001 0.000 1.227 7 G CA 0.709 45.815 45.100 0.010 0.000 1.041 7 G HN 1.694 nan 8.290 nan 0.000 0.546 8 T N -1.478 113.081 114.554 0.008 0.000 2.833 8 T HA 0.157 4.504 4.350 -0.005 0.000 0.269 8 T C 0.786 175.471 174.700 -0.025 0.000 1.054 8 T CA 2.277 64.376 62.100 -0.001 0.000 1.135 8 T CB -0.095 68.781 68.868 0.013 0.000 0.869 8 T HN 0.654 nan 8.240 nan 0.000 0.466 9 E N 0.818 121.000 120.200 -0.031 0.000 2.210 9 E HA 0.447 4.794 4.350 -0.005 0.000 0.266 9 E C -1.364 175.102 176.600 -0.224 0.000 0.883 9 E CA -0.718 55.603 56.400 -0.132 0.000 0.761 9 E CB 1.673 31.337 29.700 -0.060 0.000 1.156 9 E HN 0.161 nan 8.360 nan 0.000 0.412 10 Q N 2.594 122.202 119.800 -0.321 0.000 2.368 10 Q HA 0.282 4.619 4.340 -0.005 0.000 0.256 10 Q C -1.086 174.654 176.000 -0.434 0.000 0.980 10 Q CA -0.088 55.556 55.803 -0.265 0.000 0.887 10 Q CB 0.704 29.352 28.738 -0.150 0.000 1.221 10 Q HN 0.382 nan 8.270 nan 0.000 0.458 11 H N 1.104 120.150 119.070 -0.040 0.000 2.538 11 H HA 0.290 4.842 4.556 -0.005 0.000 0.353 11 H C -0.700 174.583 175.328 -0.076 0.000 1.109 11 H CA -0.807 55.207 56.048 -0.055 0.000 1.192 11 H CB 1.562 31.290 29.762 -0.057 0.000 1.555 11 H HN 0.541 nan 8.280 nan 0.000 0.518 12 D N 2.402 122.818 120.400 0.026 0.000 2.449 12 D HA 0.085 4.722 4.640 -0.005 0.000 0.236 12 D C 0.214 176.421 176.300 -0.155 0.000 1.149 12 D CA 0.336 54.296 54.000 -0.067 0.000 0.878 12 D CB 1.332 42.083 40.800 -0.082 0.000 1.198 12 D HN 0.284 nan 8.370 nan 0.000 0.446 13 L N 2.360 123.405 121.223 -0.298 0.000 2.372 13 L HA 0.220 4.557 4.340 -0.005 0.000 0.274 13 L C -0.151 176.278 176.870 -0.734 0.000 0.988 13 L CA -0.789 53.675 54.840 -0.627 0.000 0.833 13 L CB 0.932 42.825 42.059 -0.278 0.000 1.236 13 L HN 0.411 nan 8.230 nan 0.000 0.410 14 F N 1.154 120.111 119.950 -1.654 0.000 3.093 14 F HA -0.301 4.224 4.527 -0.004 0.000 0.287 14 F C 0.553 175.935 175.800 -0.697 0.000 0.882 14 F CA 0.998 58.217 58.000 -1.302 0.000 1.063 14 F CB -1.802 36.795 39.000 -0.671 0.000 1.097 14 F HN 0.644 nan 8.300 nan 0.000 0.604 15 S N -2.755 112.546 115.700 -0.665 0.000 2.645 15 S HA 0.715 5.182 4.470 -0.005 0.000 0.268 15 S C 0.293 174.762 174.600 -0.218 0.000 1.110 15 S CA -0.241 57.840 58.200 -0.198 0.000 0.823 15 S CB 1.350 64.546 63.200 -0.008 0.000 1.091 15 S HN 1.801 nan 8.310 nan 0.000 0.466 16 G N 1.652 110.456 108.800 0.006 0.000 2.596 16 G HA2 -0.365 3.592 3.960 -0.005 0.000 0.304 16 G HA3 -0.365 3.592 3.960 -0.005 0.000 0.304 16 G C 1.153 176.059 174.900 0.011 0.000 1.189 16 G CA 1.878 46.991 45.100 0.021 0.000 0.986 16 G HN 2.358 nan 8.290 nan 0.000 0.548 17 T N -1.443 113.097 114.554 -0.023 0.000 2.962 17 T HA 0.097 4.444 4.350 -0.005 0.000 0.270 17 T C 2.101 176.726 174.700 -0.124 0.000 1.088 17 T CA 1.868 63.946 62.100 -0.036 0.000 1.127 17 T CB -0.175 68.678 68.868 -0.025 0.000 0.883 17 T HN 0.818 nan 8.240 nan 0.000 0.493 18 F N 1.041 120.742 119.950 -0.414 0.000 2.120 18 F HA -0.058 4.467 4.527 -0.004 0.000 0.300 18 F C 1.864 177.313 175.800 -0.585 0.000 1.095 18 F CA 1.266 58.875 58.000 -0.652 0.000 1.249 18 F CB -0.467 37.947 39.000 -0.977 0.000 0.995 18 F HN 0.191 nan 8.300 nan 0.000 0.480 19 W N -0.036 121.230 121.300 -0.056 0.000 2.358 19 W HA -0.193 4.464 4.660 -0.005 0.000 0.303 19 W C 2.581 178.915 176.519 -0.307 0.000 1.208 19 W CA 0.779 58.047 57.345 -0.129 0.000 1.274 19 W CB -0.799 28.694 29.460 0.054 0.000 1.138 19 W HN 0.052 nan 8.180 nan 0.000 0.515 20 Q N 0.652 120.450 119.800 -0.003 0.000 2.020 20 Q HA -0.155 4.182 4.340 -0.005 0.000 0.202 20 Q C 0.334 176.114 176.000 -0.367 0.000 0.982 20 Q CA 1.402 57.150 55.803 -0.092 0.000 0.838 20 Q CB -0.201 28.551 28.738 0.022 0.000 0.899 20 Q HN 0.014 nan 8.270 nan 0.000 0.423 21 N N -1.071 117.393 118.700 -0.394 0.000 2.664 21 N HA 0.182 4.919 4.740 -0.005 0.000 0.268 21 N C -2.622 172.491 175.510 -0.662 0.000 1.222 21 N CA -1.458 51.325 53.050 -0.445 0.000 0.805 21 N CB 1.684 40.041 38.487 -0.217 0.000 1.399 21 N HN -0.050 nan 8.380 nan 0.000 0.547 22 P HA 0.015 nan 4.420 nan 0.000 0.245 22 P C 0.740 177.299 177.300 -1.233 0.000 1.206 22 P CA 0.605 62.694 63.100 -1.685 0.000 0.781 22 P CB 0.358 30.564 31.700 -2.490 0.000 0.994 23 H N 0.867 119.562 119.070 -0.624 0.000 2.353 23 H HA 0.004 4.559 4.556 -0.002 0.000 0.300 23 H C -0.502 174.659 175.328 -0.278 0.000 1.090 23 H CA 1.725 57.582 56.048 -0.319 0.000 1.327 23 H CB -2.087 27.540 29.762 -0.226 0.000 1.383 23 H HN 0.259 nan 8.280 nan 0.000 0.508 24 P HA -0.102 nan 4.420 nan 0.000 0.215 24 P C 1.609 178.583 177.300 -0.543 0.000 1.153 24 P CA 1.773 64.626 63.100 -0.411 0.000 0.853 24 P CB -0.120 31.237 31.700 -0.572 0.000 0.788 25 A N -1.244 121.254 122.820 -0.537 0.000 1.883 25 A HA -0.244 4.073 4.320 -0.005 0.000 0.217 25 A C 2.035 179.604 177.584 -0.024 0.000 1.186 25 A CA 1.544 53.436 52.037 -0.242 0.000 0.624 25 A CB -1.976 16.946 19.000 -0.130 0.000 0.822 25 A HN 0.093 nan 8.150 nan 0.000 0.444 26 Y N -0.027 120.241 120.300 -0.054 0.000 2.151 26 Y HA -0.169 4.377 4.550 -0.007 0.000 0.284 26 Y C 2.957 178.868 175.900 0.018 0.000 1.166 26 Y CA 0.458 58.559 58.100 0.002 0.000 1.163 26 Y CB -1.193 37.262 38.460 -0.010 0.000 0.974 26 Y HN 0.339 nan 8.280 nan 0.000 0.511 27 A N -0.169 122.739 122.820 0.147 0.000 1.898 27 A HA -0.046 4.271 4.320 -0.005 0.000 0.216 27 A C 2.501 180.142 177.584 0.095 0.000 1.181 27 A CA 1.767 53.864 52.037 0.100 0.000 0.620 27 A CB -1.126 17.904 19.000 0.052 0.000 0.819 27 A HN 0.375 nan 8.150 nan 0.000 0.442 28 A N -0.288 122.586 122.820 0.091 0.000 1.930 28 A HA 0.037 4.354 4.320 -0.005 0.000 0.217 28 A C 2.147 179.802 177.584 0.118 0.000 1.175 28 A CA 1.308 53.421 52.037 0.127 0.000 0.627 28 A CB -0.528 18.607 19.000 0.225 0.000 0.815 28 A HN 0.467 nan 8.150 nan 0.000 0.443 29 L N -1.053 120.248 121.223 0.130 0.000 1.994 29 L HA -0.204 4.133 4.340 -0.005 0.000 0.208 29 L C 2.892 179.831 176.870 0.114 0.000 1.071 29 L CA 1.580 56.497 54.840 0.128 0.000 0.745 29 L CB -0.575 41.585 42.059 0.168 0.000 0.892 29 L HN 0.349 nan 8.230 nan 0.000 0.431 30 R N -0.091 120.481 120.500 0.120 0.000 2.096 30 R HA -0.196 4.141 4.340 -0.005 0.000 0.240 30 R C 2.356 178.712 176.300 0.093 0.000 1.139 30 R CA 1.637 57.800 56.100 0.104 0.000 0.952 30 R CB -0.536 29.829 30.300 0.109 0.000 0.854 30 R HN 0.399 nan 8.270 nan 0.000 0.436 31 A N 0.516 123.390 122.820 0.089 0.000 1.929 31 A HA -0.130 4.187 4.320 -0.005 0.000 0.216 31 A C 1.470 179.097 177.584 0.071 0.000 1.176 31 A CA 1.312 53.395 52.037 0.077 0.000 0.628 31 A CB 0.043 19.087 19.000 0.073 0.000 0.816 31 A HN 0.337 nan 8.150 nan 0.000 0.444 32 E N -2.430 117.814 120.200 0.074 0.000 2.606 32 E HA 0.082 4.429 4.350 -0.005 0.000 0.224 32 E C -0.931 175.708 176.600 0.065 0.000 0.930 32 E CA 0.060 56.498 56.400 0.064 0.000 1.125 32 E CB 0.829 30.564 29.700 0.058 0.000 1.123 32 E HN 0.311 nan 8.360 nan 0.000 0.522 33 D N 0.223 120.669 120.400 0.076 0.000 3.285 33 D HA 0.062 4.699 4.640 -0.005 0.000 0.273 33 D C -2.144 174.214 176.300 0.095 0.000 1.295 33 D CA -1.244 52.804 54.000 0.079 0.000 0.762 33 D CB 0.893 41.731 40.800 0.064 0.000 1.379 33 D HN -0.074 nan 8.370 nan 0.000 0.612 34 P HA -0.007 nan 4.420 nan 0.000 0.233 34 P C 0.235 177.598 177.300 0.104 0.000 1.167 34 P CA 0.374 63.532 63.100 0.096 0.000 0.770 34 P CB 0.743 32.497 31.700 0.091 0.000 0.837 35 V N 1.256 121.255 119.914 0.141 0.000 2.380 35 V HA 0.313 4.430 4.120 -0.005 0.000 0.268 35 V C -0.083 176.190 176.094 0.299 0.000 1.008 35 V CA -0.719 61.706 62.300 0.208 0.000 0.823 35 V CB 1.146 33.087 31.823 0.197 0.000 1.053 35 V HN -0.042 nan 8.190 nan 0.000 0.446 36 R N 3.328 123.963 120.500 0.225 0.000 2.387 36 R HA 0.486 4.822 4.340 -0.005 0.000 0.314 36 R C -0.508 175.717 176.300 -0.125 0.000 0.958 36 R CA -0.582 55.557 56.100 0.064 0.000 0.846 36 R CB 1.123 31.447 30.300 0.038 0.000 1.147 36 R HN 0.537 nan 8.270 nan 0.000 0.447 37 K N 5.109 125.163 120.400 -0.577 0.000 2.312 37 K HA 0.251 4.568 4.320 -0.005 0.000 0.287 37 K C -0.831 175.457 176.600 -0.519 0.000 1.062 37 K CA -0.323 55.335 56.287 -1.048 0.000 0.934 37 K CB 0.430 31.977 32.500 -1.588 0.000 1.027 37 K HN 0.603 nan 8.250 nan 0.000 0.478 38 L N 4.083 125.063 121.223 -0.405 0.000 2.262 38 L HA 0.334 4.671 4.340 -0.005 0.000 0.288 38 L C 0.232 176.953 176.870 -0.248 0.000 1.035 38 L CA -0.695 53.985 54.840 -0.267 0.000 0.820 38 L CB 1.591 43.499 42.059 -0.251 0.000 1.204 38 L HN 0.673 nan 8.230 nan 0.000 0.424 39 A N 6.261 128.963 122.820 -0.197 0.000 2.981 39 A HA 0.431 4.748 4.320 -0.005 0.000 0.280 39 A C 0.084 177.598 177.584 -0.115 0.000 1.743 39 A CA -0.210 51.737 52.037 -0.149 0.000 1.430 39 A CB -0.677 18.251 19.000 -0.119 0.000 1.085 39 A HN 0.647 nan 8.150 nan 0.000 0.597 40 L N 2.087 123.237 121.223 -0.123 0.000 2.379 40 L HA 0.273 4.610 4.340 -0.005 0.000 0.269 40 L C -1.217 175.620 176.870 -0.055 0.000 1.084 40 L CA -2.015 52.766 54.840 -0.099 0.000 0.802 40 L CB 0.985 42.958 42.059 -0.143 0.000 1.175 40 L HN 0.322 nan 8.230 nan 0.000 0.448 41 P HA -0.196 nan 4.420 nan 0.000 0.217 41 P C 0.378 177.674 177.300 -0.007 0.000 1.158 41 P CA 1.313 64.407 63.100 -0.009 0.000 0.887 41 P CB 0.152 31.858 31.700 0.010 0.000 0.792 42 D N -1.281 119.117 120.400 -0.004 0.000 2.336 42 D HA 0.269 4.906 4.640 -0.005 0.000 0.229 42 D C 1.113 177.416 176.300 0.004 0.000 1.061 42 D CA 0.836 54.840 54.000 0.007 0.000 0.875 42 D CB -0.153 40.658 40.800 0.019 0.000 0.904 42 D HN 0.209 nan 8.370 nan 0.000 0.525 43 G N 0.909 109.700 108.800 -0.014 0.000 2.362 43 G HA2 -0.001 3.955 3.960 -0.005 0.000 0.656 43 G HA3 -0.001 3.955 3.960 -0.005 0.000 0.656 43 G C -3.087 171.787 174.900 -0.043 0.000 1.376 43 G CA -1.206 43.886 45.100 -0.014 0.000 0.971 43 G HN -0.182 nan 8.290 nan 0.000 0.636 44 P HA 0.505 nan 4.420 nan 0.000 0.276 44 P C -0.373 176.877 177.300 -0.082 0.000 1.230 44 P CA -0.176 62.857 63.100 -0.112 0.000 0.776 44 P CB 1.578 33.197 31.700 -0.133 0.000 0.888 45 V N 3.603 123.425 119.914 -0.153 0.000 2.588 45 V HA 0.340 4.457 4.120 -0.005 0.000 0.304 45 V C -0.420 175.602 176.094 -0.120 0.000 1.042 45 V CA -0.540 61.710 62.300 -0.084 0.000 0.877 45 V CB 1.585 33.332 31.823 -0.126 0.000 0.996 45 V HN 0.520 nan 8.190 nan 0.000 0.425 46 W N 4.111 125.346 121.300 -0.109 0.000 2.375 46 W HA 0.740 5.397 4.660 -0.006 0.000 0.336 46 W C -0.391 176.065 176.519 -0.104 0.000 1.160 46 W CA -0.472 56.818 57.345 -0.090 0.000 1.266 46 W CB 1.136 30.549 29.460 -0.077 0.000 1.195 46 W HN 0.388 nan 8.180 nan 0.000 0.599 47 L N 3.224 124.553 121.223 0.176 0.000 2.439 47 L HA 0.528 4.865 4.340 -0.005 0.000 0.270 47 L C -1.609 175.308 176.870 0.077 0.000 0.972 47 L CA -0.805 54.088 54.840 0.088 0.000 0.836 47 L CB 0.914 43.035 42.059 0.103 0.000 1.255 47 L HN 0.185 nan 8.230 nan 0.000 0.404 48 L N 4.284 125.497 121.223 -0.015 0.000 2.275 48 L HA 0.578 4.915 4.340 -0.005 0.000 0.288 48 L C 1.243 178.077 176.870 -0.060 0.000 1.046 48 L CA 0.343 55.145 54.840 -0.064 0.000 0.805 48 L CB 1.573 43.505 42.059 -0.212 0.000 1.193 48 L HN 0.831 nan 8.230 nan 0.000 0.426 49 T N -1.211 113.334 114.554 -0.015 0.000 2.959 49 T HA 0.264 4.611 4.350 -0.005 0.000 0.254 49 T C 0.931 175.636 174.700 0.008 0.000 1.003 49 T CA -0.283 61.809 62.100 -0.014 0.000 0.950 49 T CB 0.111 69.006 68.868 0.045 0.000 1.090 49 T HN 0.283 nan 8.240 nan 0.000 0.503 50 R N 0.603 121.117 120.500 0.023 0.000 2.390 50 R HA 0.349 4.686 4.340 -0.005 0.000 0.291 50 R C 0.595 176.928 176.300 0.056 0.000 1.070 50 R CA -0.469 55.673 56.100 0.070 0.000 1.014 50 R CB 0.504 30.855 30.300 0.084 0.000 1.007 50 R HN 0.217 nan 8.270 nan 0.000 0.466 51 Y N 3.003 123.295 120.300 -0.013 0.000 2.128 51 Y HA -0.329 4.219 4.550 -0.002 0.000 0.284 51 Y C 2.044 177.885 175.900 -0.098 0.000 1.154 51 Y CA 2.367 60.409 58.100 -0.097 0.000 1.149 51 Y CB -0.047 38.346 38.460 -0.113 0.000 0.976 51 Y HN 0.778 nan 8.280 nan 0.000 0.505 52 A N -0.057 122.828 122.820 0.109 0.000 1.933 52 A HA -0.188 4.129 4.320 -0.005 0.000 0.218 52 A C 1.881 179.463 177.584 -0.003 0.000 1.175 52 A CA 1.979 54.047 52.037 0.051 0.000 0.628 52 A CB -0.784 18.294 19.000 0.129 0.000 0.814 52 A HN 0.553 nan 8.150 nan 0.000 0.444 53 D N -0.240 120.170 120.400 0.016 0.000 2.084 53 D HA -0.096 4.541 4.640 -0.005 0.000 0.196 53 D C 2.115 178.288 176.300 -0.210 0.000 0.985 53 D CA 1.452 55.450 54.000 -0.003 0.000 0.826 53 D CB -0.636 40.156 40.800 -0.013 0.000 0.978 53 D HN 0.190 nan 8.370 nan 0.000 0.456 54 V N 0.900 120.667 119.914 -0.245 0.000 2.287 54 V HA -0.248 3.869 4.120 -0.005 0.000 0.248 54 V C 2.583 178.559 176.094 -0.197 0.000 1.053 54 V CA 1.761 63.885 62.300 -0.294 0.000 1.027 54 V CB -0.428 31.245 31.823 -0.250 0.000 0.646 54 V HN 0.137 nan 8.190 nan 0.000 0.447 55 R N -0.362 119.958 120.500 -0.299 0.000 2.081 55 R HA -0.220 4.117 4.340 -0.005 0.000 0.235 55 R C 2.422 178.760 176.300 0.062 0.000 1.131 55 R CA 2.096 58.060 56.100 -0.227 0.000 0.960 55 R CB -0.207 29.704 30.300 -0.648 0.000 0.856 55 R HN 0.675 nan 8.270 nan 0.000 0.436 56 E N -0.363 119.847 120.200 0.016 0.000 2.107 56 E HA -0.140 4.207 4.350 -0.005 0.000 0.191 56 E C 1.782 178.459 176.600 0.129 0.000 0.982 56 E CA 0.895 57.370 56.400 0.124 0.000 0.809 56 E CB -0.064 29.731 29.700 0.159 0.000 0.756 56 E HN 0.436 nan 8.360 nan 0.000 0.459 57 A N 0.484 123.289 122.820 -0.025 0.000 1.958 57 A HA -0.213 4.104 4.320 -0.005 0.000 0.221 57 A C 1.908 179.424 177.584 -0.113 0.000 1.178 57 A CA 1.365 53.287 52.037 -0.192 0.000 0.642 57 A CB -1.047 17.614 19.000 -0.564 0.000 0.816 57 A HN 0.429 nan 8.150 nan 0.000 0.453 58 F N -0.503 119.427 119.950 -0.034 0.000 2.269 58 F HA -0.107 4.416 4.527 -0.006 0.000 0.301 58 F C 1.896 177.683 175.800 -0.021 0.000 1.082 58 F CA 1.417 59.412 58.000 -0.007 0.000 1.360 58 F CB 0.281 39.317 39.000 0.060 0.000 1.041 58 F HN 0.197 nan 8.300 nan 0.000 0.512 59 V N -3.505 116.509 119.914 0.167 0.000 3.214 59 V HA 0.229 4.346 4.120 -0.005 0.000 0.330 59 V C -0.436 175.691 176.094 0.056 0.000 1.403 59 V CA -0.353 61.984 62.300 0.063 0.000 1.143 59 V CB -0.195 31.640 31.823 0.021 0.000 1.098 59 V HN -0.007 nan 8.190 nan 0.000 0.463 60 D N 2.601 123.040 120.400 0.065 0.000 2.412 60 D HA 0.398 5.035 4.640 -0.005 0.000 0.224 60 D C -1.217 175.099 176.300 0.027 0.000 1.093 60 D CA -2.270 51.765 54.000 0.057 0.000 0.850 60 D CB 2.161 43.032 40.800 0.117 0.000 1.046 60 D HN 0.207 nan 8.370 nan 0.000 0.507 61 P HA -0.079 nan 4.420 nan 0.000 0.226 61 P C 0.925 178.215 177.300 -0.017 0.000 1.153 61 P CA 0.478 63.583 63.100 0.009 0.000 0.777 61 P CB 0.371 32.077 31.700 0.010 0.000 0.794 62 R N -0.491 119.992 120.500 -0.028 0.000 2.189 62 R HA 0.061 4.398 4.340 -0.005 0.000 0.223 62 R C 0.957 177.210 176.300 -0.078 0.000 1.092 62 R CA 0.441 56.501 56.100 -0.067 0.000 0.989 62 R CB -0.529 29.741 30.300 -0.050 0.000 0.876 62 R HN 0.251 nan 8.270 nan 0.000 0.457 63 L N 1.753 122.949 121.223 -0.045 0.000 2.358 63 L HA 0.153 4.490 4.340 -0.005 0.000 0.274 63 L C 0.122 176.980 176.870 -0.020 0.000 1.136 63 L CA -0.359 54.445 54.840 -0.060 0.000 0.970 63 L CB 1.107 43.102 42.059 -0.106 0.000 1.314 63 L HN -0.016 nan 8.230 nan 0.000 0.427 64 S N 1.475 117.190 115.700 0.025 0.000 2.654 64 S HA 0.341 4.808 4.470 -0.005 0.000 0.283 64 S C 1.007 175.754 174.600 0.244 0.000 1.180 64 S CA -0.696 57.577 58.200 0.121 0.000 1.021 64 S CB 1.124 64.383 63.200 0.099 0.000 1.018 64 S HN 0.434 nan 8.310 nan 0.000 0.532 65 K N 1.358 121.904 120.400 0.243 0.000 2.393 65 K HA 0.148 4.465 4.320 -0.005 0.000 0.193 65 K C -0.215 176.603 176.600 0.363 0.000 1.026 65 K CA 0.091 56.547 56.287 0.281 0.000 1.064 65 K CB -0.291 32.267 32.500 0.096 0.000 0.833 65 K HN 0.572 nan 8.250 nan 0.000 0.521 66 D N 1.502 122.099 120.400 0.327 0.000 2.344 66 D HA -0.055 4.582 4.640 -0.005 0.000 0.253 66 D C 1.132 177.404 176.300 -0.047 0.000 1.255 66 D CA -0.406 53.708 54.000 0.191 0.000 0.894 66 D CB 0.357 41.262 40.800 0.175 0.000 1.067 66 D HN 0.114 nan 8.370 nan 0.000 0.492 67 W N 5.258 126.167 121.300 -0.652 0.000 2.538 67 W HA -0.063 4.594 4.660 -0.005 0.000 0.254 67 W C 0.925 176.995 176.519 -0.748 0.000 1.249 67 W CA 0.048 56.589 57.345 -1.339 0.000 1.253 67 W CB -1.010 27.994 29.460 -0.760 0.000 1.130 67 W HN 0.382 nan 8.180 nan 0.000 0.618 68 R N -0.228 120.085 120.500 -0.312 0.000 2.235 68 R HA -0.082 4.255 4.340 -0.005 0.000 0.213 68 R C 1.690 177.783 176.300 -0.345 0.000 1.059 68 R CA 1.326 57.183 56.100 -0.405 0.000 0.997 68 R CB -0.709 29.409 30.300 -0.304 0.000 0.884 68 R HN 0.355 nan 8.270 nan 0.000 0.462 69 H N -0.285 118.688 119.070 -0.161 0.000 2.489 69 H HA -0.084 4.469 4.556 -0.005 0.000 0.293 69 H C 2.074 177.379 175.328 -0.039 0.000 1.066 69 H CA 1.193 57.205 56.048 -0.059 0.000 1.305 69 H CB 0.071 29.852 29.762 0.032 0.000 1.386 69 H HN 0.059 nan 8.280 nan 0.000 0.551 70 R N 0.533 121.029 120.500 -0.006 0.000 2.189 70 R HA 0.013 4.350 4.340 -0.005 0.000 0.218 70 R C -0.080 176.194 176.300 -0.044 0.000 1.074 70 R CA 0.298 56.408 56.100 0.017 0.000 0.991 70 R CB 0.058 30.351 30.300 -0.012 0.000 0.883 70 R HN 0.190 nan 8.270 nan 0.000 0.457 71 L N 2.573 123.728 121.223 -0.114 0.000 2.399 71 L HA 0.380 4.717 4.340 -0.005 0.000 0.266 71 L C -1.888 174.942 176.870 -0.067 0.000 1.114 71 L CA -2.520 52.250 54.840 -0.116 0.000 0.804 71 L CB 0.930 42.878 42.059 -0.184 0.000 1.146 71 L HN 0.085 nan 8.230 nan 0.000 0.451 72 P HA 0.042 nan 4.420 nan 0.000 0.272 72 P C 0.101 177.373 177.300 -0.047 0.000 1.223 72 P CA -0.259 62.821 63.100 -0.033 0.000 0.784 72 P CB 0.818 32.501 31.700 -0.029 0.000 0.923 73 E N 0.806 120.987 120.200 -0.032 0.000 2.171 73 E HA -0.234 4.113 4.350 -0.005 0.000 0.197 73 E C 0.822 177.395 176.600 -0.045 0.000 0.997 73 E CA 1.691 58.069 56.400 -0.038 0.000 0.810 73 E CB -0.194 29.494 29.700 -0.019 0.000 0.738 73 E HN 0.615 nan 8.360 nan 0.000 0.467 74 D N -0.522 119.855 120.400 -0.039 0.000 2.332 74 D HA -0.104 4.533 4.640 -0.005 0.000 0.244 74 D C 1.115 177.385 176.300 -0.050 0.000 1.136 74 D CA 0.461 54.438 54.000 -0.038 0.000 0.884 74 D CB 0.206 40.989 40.800 -0.029 0.000 0.906 74 D HN 0.011 nan 8.370 nan 0.000 0.520 75 Q N -0.910 118.850 119.800 -0.067 0.000 2.040 75 Q HA 0.313 4.650 4.340 -0.005 0.000 0.212 75 Q C 1.148 177.081 176.000 -0.110 0.000 0.766 75 Q CA -0.096 55.656 55.803 -0.085 0.000 0.967 75 Q CB 0.509 29.191 28.738 -0.093 0.000 1.202 75 Q HN 0.115 nan 8.270 nan 0.000 0.446 76 R N -1.013 119.424 120.500 -0.105 0.000 2.265 76 R HA 0.323 4.660 4.340 -0.005 0.000 0.194 76 R C 1.681 177.925 176.300 -0.094 0.000 0.931 76 R CA 0.747 56.772 56.100 -0.126 0.000 1.032 76 R CB 0.329 30.548 30.300 -0.136 0.000 0.980 76 R HN 0.151 nan 8.270 nan 0.000 0.497 77 A N 1.443 124.221 122.820 -0.069 0.000 1.902 77 A HA -0.153 4.164 4.320 -0.005 0.000 0.217 77 A C 1.230 178.789 177.584 -0.041 0.000 1.181 77 A CA 1.547 53.555 52.037 -0.047 0.000 0.623 77 A CB -0.090 18.888 19.000 -0.037 0.000 0.818 77 A HN 0.087 nan 8.150 nan 0.000 0.443 78 D N -1.016 119.355 120.400 -0.048 0.000 2.339 78 D HA 0.126 4.763 4.640 -0.005 0.000 0.217 78 D C 0.179 176.457 176.300 -0.038 0.000 1.050 78 D CA 0.230 54.207 54.000 -0.038 0.000 0.856 78 D CB 0.089 40.865 40.800 -0.040 0.000 0.922 78 D HN 0.232 nan 8.370 nan 0.000 0.518 79 M N 1.938 121.505 119.600 -0.055 0.000 2.233 79 M HA 0.297 4.774 4.480 -0.005 0.000 0.355 79 M C -2.188 174.126 176.300 0.023 0.000 1.191 79 M CA -2.278 52.989 55.300 -0.056 0.000 1.101 79 M CB 0.816 33.319 32.600 -0.162 0.000 1.592 79 M HN -0.237 nan 8.290 nan 0.000 0.461 80 P HA 0.131 nan 4.420 nan 0.000 0.269 80 P C 0.106 177.584 177.300 0.296 0.000 1.215 80 P CA -0.053 63.144 63.100 0.162 0.000 0.780 80 P CB 0.452 32.260 31.700 0.181 0.000 0.898 81 A N 2.248 125.179 122.820 0.185 0.000 2.070 81 A HA 0.018 4.335 4.320 -0.005 0.000 0.220 81 A C 1.119 178.755 177.584 0.087 0.000 1.159 81 A CA 1.795 53.934 52.037 0.170 0.000 0.656 81 A CB -0.878 18.165 19.000 0.071 0.000 0.800 81 A HN 0.775 nan 8.150 nan 0.000 0.453 82 T N -6.324 108.194 114.554 -0.060 0.000 2.868 82 T HA 0.526 4.873 4.350 -0.005 0.000 0.306 82 T C -2.615 171.733 174.700 -0.586 0.000 1.224 82 T CA -0.879 60.873 62.100 -0.581 0.000 1.012 82 T CB 2.021 70.695 68.868 -0.323 0.000 1.221 82 T HN -0.084 nan 8.240 nan 0.000 0.499 83 P HA 0.159 nan 4.420 nan 0.000 0.225 83 P C 0.418 177.587 177.300 -0.218 0.000 1.156 83 P CA 0.763 63.577 63.100 -0.476 0.000 0.787 83 P CB 0.201 31.592 31.700 -0.515 0.000 0.802 84 T N -0.052 114.366 114.554 -0.228 0.000 3.193 84 T HA 0.342 4.689 4.350 -0.005 0.000 0.332 84 T C -3.065 171.576 174.700 -0.099 0.000 1.208 84 T CA -1.756 60.273 62.100 -0.117 0.000 1.080 84 T CB 1.742 70.565 68.868 -0.075 0.000 1.180 84 T HN -0.239 nan 8.240 nan 0.000 0.469 85 P HA 0.206 nan 4.420 nan 0.000 0.238 85 P C -0.010 177.286 177.300 -0.007 0.000 1.714 85 P CA -0.157 62.927 63.100 -0.028 0.000 0.908 85 P CB -0.666 31.032 31.700 -0.002 0.000 1.893 86 M N 0.721 120.311 119.600 -0.016 0.000 2.233 86 M HA 0.238 4.715 4.480 -0.005 0.000 0.350 86 M C 2.099 178.424 176.300 0.042 0.000 1.176 86 M CA -0.204 55.102 55.300 0.010 0.000 1.150 86 M CB 0.955 33.556 32.600 0.001 0.000 1.530 86 M HN 0.014 nan 8.290 nan 0.000 0.459 87 M N 1.334 120.982 119.600 0.080 0.000 2.374 87 M HA -0.049 4.428 4.480 -0.005 0.000 0.264 87 M C 1.533 178.020 176.300 0.313 0.000 1.067 87 M CA 1.745 57.153 55.300 0.180 0.000 1.103 87 M CB -0.522 32.152 32.600 0.124 0.000 1.402 87 M HN 0.730 nan 8.290 nan 0.000 0.444 88 I N 1.206 121.883 120.570 0.178 0.000 2.916 88 I HA -0.120 4.047 4.170 -0.005 0.000 0.267 88 I C 1.103 177.187 176.117 -0.054 0.000 1.263 88 I CA 0.864 62.206 61.300 0.071 0.000 1.471 88 I CB 0.157 38.168 38.000 0.018 0.000 1.089 88 I HN 0.377 nan 8.210 nan 0.000 0.468 89 L N 0.236 121.465 121.223 0.009 0.000 2.818 89 L HA 0.332 4.669 4.340 -0.005 0.000 0.243 89 L C -0.039 176.846 176.870 0.025 0.000 1.185 89 L CA -0.143 54.681 54.840 -0.028 0.000 0.988 89 L CB -0.111 41.876 42.059 -0.120 0.000 1.292 89 L HN 0.129 nan 8.230 nan 0.000 0.519 90 M N -1.091 118.584 119.600 0.125 0.000 2.644 90 M HA 0.438 4.915 4.480 -0.005 0.000 0.304 90 M C -1.236 175.211 176.300 0.244 0.000 1.215 90 M CA -0.701 54.701 55.300 0.170 0.000 0.871 90 M CB 2.487 35.195 32.600 0.180 0.000 1.740 90 M HN -0.178 nan 8.290 nan 0.000 0.464 91 D N 0.960 121.474 120.400 0.191 0.000 2.384 91 D HA 0.532 5.169 4.640 -0.005 0.000 0.250 91 D C -2.447 173.946 176.300 0.156 0.000 1.029 91 D CA -1.335 52.762 54.000 0.162 0.000 0.990 91 D CB 0.811 41.697 40.800 0.144 0.000 1.175 91 D HN 0.153 nan 8.370 nan 0.000 0.532 92 P HA 0.087 nan 4.420 nan 0.000 0.268 92 P C -1.605 175.742 177.300 0.079 0.000 1.208 92 P CA -0.641 62.519 63.100 0.101 0.000 0.777 92 P CB 0.137 31.878 31.700 0.068 0.000 0.875 93 P HA -0.038 nan 4.420 nan 0.000 0.235 93 P C 0.462 177.790 177.300 0.047 0.000 1.177 93 P CA 0.983 64.112 63.100 0.049 0.000 0.785 93 P CB 0.253 31.972 31.700 0.031 0.000 0.885 94 D N -0.661 119.774 120.400 0.060 0.000 2.144 94 D HA -0.187 4.450 4.640 -0.005 0.000 0.199 94 D C 1.938 178.263 176.300 0.041 0.000 0.984 94 D CA 1.000 55.027 54.000 0.044 0.000 0.834 94 D CB -0.787 40.043 40.800 0.050 0.000 0.955 94 D HN 0.371 nan 8.370 nan 0.000 0.465 95 H N 1.118 120.201 119.070 0.021 0.000 2.319 95 H HA -0.109 4.444 4.556 -0.005 0.000 0.299 95 H C 1.465 176.777 175.328 -0.026 0.000 1.092 95 H CA 2.066 58.118 56.048 0.008 0.000 1.302 95 H CB 0.105 29.862 29.762 -0.008 0.000 1.373 95 H HN 0.035 nan 8.280 nan 0.000 0.497 96 T N 1.120 115.634 114.554 -0.068 0.000 2.684 96 T HA -0.190 4.157 4.350 -0.005 0.000 0.267 96 T C 2.160 176.774 174.700 -0.143 0.000 1.036 96 T CA 1.703 63.742 62.100 -0.102 0.000 1.148 96 T CB -0.249 68.620 68.868 0.002 0.000 0.863 96 T HN 0.380 nan 8.240 nan 0.000 0.436 97 R N 0.766 121.212 120.500 -0.090 0.000 2.070 97 R HA -0.004 4.333 4.340 -0.005 0.000 0.233 97 R C 2.470 178.716 176.300 -0.091 0.000 1.137 97 R CA 1.265 57.325 56.100 -0.067 0.000 0.945 97 R CB -0.503 29.778 30.300 -0.033 0.000 0.845 97 R HN 0.349 nan 8.270 nan 0.000 0.430 98 L N 0.376 121.531 121.223 -0.112 0.000 2.046 98 L HA -0.160 4.177 4.340 -0.005 0.000 0.208 98 L C 2.835 179.617 176.870 -0.146 0.000 1.077 98 L CA 1.413 56.190 54.840 -0.105 0.000 0.747 98 L CB -0.442 41.571 42.059 -0.077 0.000 0.896 98 L HN 0.195 nan 8.230 nan 0.000 0.432 99 R N 1.013 121.340 120.500 -0.287 0.000 2.075 99 R HA -0.185 4.152 4.340 -0.005 0.000 0.232 99 R C 2.215 178.431 176.300 -0.140 0.000 1.126 99 R CA 1.734 57.670 56.100 -0.273 0.000 0.963 99 R CB -0.383 29.609 30.300 -0.512 0.000 0.858 99 R HN 0.231 nan 8.270 nan 0.000 0.435 100 K N -0.003 120.323 120.400 -0.124 0.000 2.057 100 K HA -0.150 4.167 4.320 -0.005 0.000 0.207 100 K C 2.071 178.653 176.600 -0.030 0.000 1.049 100 K CA 1.657 57.907 56.287 -0.061 0.000 0.931 100 K CB -0.308 32.160 32.500 -0.053 0.000 0.714 100 K HN 0.317 nan 8.250 nan 0.000 0.440 101 L N 0.535 121.737 121.223 -0.034 0.000 1.976 101 L HA -0.155 4.181 4.340 -0.005 0.000 0.209 101 L C 2.294 179.177 176.870 0.022 0.000 1.071 101 L CA 1.342 56.177 54.840 -0.008 0.000 0.746 101 L CB -0.346 41.706 42.059 -0.013 0.000 0.890 101 L HN 0.120 nan 8.230 nan 0.000 0.432 102 V N 0.030 119.958 119.914 0.024 0.000 2.667 102 V HA -0.122 3.995 4.120 -0.005 0.000 0.252 102 V C 2.374 178.571 176.094 0.172 0.000 1.065 102 V CA 1.679 64.036 62.300 0.096 0.000 1.083 102 V CB -0.454 31.413 31.823 0.073 0.000 0.692 102 V HN 0.670 nan 8.190 nan 0.000 0.468 103 G N 0.066 108.912 108.800 0.076 0.000 2.450 103 G HA2 -0.248 3.709 3.960 -0.005 0.000 0.220 103 G HA3 -0.248 3.709 3.960 -0.005 0.000 0.220 103 G C 1.592 176.575 174.900 0.138 0.000 1.130 103 G CA 0.503 45.661 45.100 0.096 0.000 0.760 103 G HN 0.432 nan 8.290 nan 0.000 0.557 104 R N 0.707 121.263 120.500 0.093 0.000 2.200 104 R HA -0.008 4.329 4.340 -0.005 0.000 0.234 104 R C 2.193 178.530 176.300 0.061 0.000 1.127 104 R CA 1.089 57.227 56.100 0.063 0.000 0.989 104 R CB -0.488 29.832 30.300 0.033 0.000 0.869 104 R HN 0.340 nan 8.270 nan 0.000 0.459 105 S N -0.375 115.386 115.700 0.102 0.000 2.556 105 S HA 0.158 4.625 4.470 -0.005 0.000 0.216 105 S C 0.261 174.745 174.600 -0.193 0.000 0.970 105 S CA 0.029 58.209 58.200 -0.034 0.000 0.912 105 S CB 0.183 63.345 63.200 -0.063 0.000 0.790 105 S HN 0.142 nan 8.310 nan 0.000 0.504 106 F N 2.519 122.463 119.950 -0.010 0.000 2.881 106 F HA 0.214 4.738 4.527 -0.005 0.000 0.343 106 F C 1.101 176.897 175.800 -0.007 0.000 1.233 106 F CA -0.818 57.176 58.000 -0.010 0.000 1.262 106 F CB -0.194 38.799 39.000 -0.012 0.000 0.980 106 F HN -0.019 nan 8.300 nan 0.000 0.506 107 T N -3.075 111.534 114.554 0.092 0.000 2.856 107 T HA 0.137 4.484 4.350 -0.005 0.000 0.306 107 T C 1.529 176.256 174.700 0.045 0.000 1.062 107 T CA -0.520 61.616 62.100 0.059 0.000 1.083 107 T CB 1.429 70.314 68.868 0.028 0.000 0.984 107 T HN -0.008 nan 8.240 nan 0.000 0.542 108 V N 2.212 122.150 119.914 0.040 0.000 2.252 108 V HA -0.243 3.874 4.120 -0.005 0.000 0.249 108 V C 2.983 179.089 176.094 0.019 0.000 1.056 108 V CA 2.589 64.909 62.300 0.034 0.000 1.022 108 V CB -1.110 30.731 31.823 0.030 0.000 0.641 108 V HN 1.024 nan 8.190 nan 0.000 0.445 109 R N -0.001 120.505 120.500 0.010 0.000 2.091 109 R HA -0.193 4.144 4.340 -0.005 0.000 0.238 109 R C 2.445 178.739 176.300 -0.010 0.000 1.136 109 R CA 1.594 57.694 56.100 0.001 0.000 0.959 109 R CB -0.249 30.050 30.300 -0.002 0.000 0.856 109 R HN 0.364 nan 8.270 nan 0.000 0.437 110 R N 0.142 120.630 120.500 -0.020 0.000 2.073 110 R HA -0.056 4.281 4.340 -0.005 0.000 0.234 110 R C 2.246 178.514 176.300 -0.053 0.000 1.134 110 R CA 1.411 57.481 56.100 -0.049 0.000 0.952 110 R CB -0.576 29.674 30.300 -0.083 0.000 0.850 110 R HN 0.361 nan 8.270 nan 0.000 0.433 111 M N 1.028 120.608 119.600 -0.032 0.000 2.200 111 M HA -0.058 4.419 4.480 -0.005 0.000 0.265 111 M C 1.586 177.883 176.300 -0.006 0.000 1.066 111 M CA 1.111 56.399 55.300 -0.019 0.000 1.127 111 M CB -1.023 31.593 32.600 0.026 0.000 1.379 111 M HN 0.064 nan 8.290 nan 0.000 0.420 112 N N 1.351 120.052 118.700 0.003 0.000 2.166 112 N HA -0.175 4.562 4.740 -0.005 0.000 0.186 112 N C 1.407 176.917 175.510 -0.000 0.000 1.019 112 N CA 1.364 54.419 53.050 0.007 0.000 0.856 112 N CB -0.344 38.150 38.487 0.012 0.000 0.993 112 N HN 0.598 nan 8.380 nan 0.000 0.426 113 E N 0.641 120.835 120.200 -0.009 0.000 2.515 113 E HA -0.088 4.259 4.350 -0.005 0.000 0.201 113 E C 1.494 178.085 176.600 -0.016 0.000 1.071 113 E CA 0.357 56.750 56.400 -0.012 0.000 0.880 113 E CB -0.311 29.378 29.700 -0.017 0.000 0.828 113 E HN 0.376 nan 8.360 nan 0.000 0.540 114 L N 0.802 122.014 121.223 -0.018 0.000 2.418 114 L HA -0.027 4.310 4.340 -0.005 0.000 0.218 114 L C 2.537 179.403 176.870 -0.008 0.000 1.125 114 L CA 0.671 55.499 54.840 -0.020 0.000 0.835 114 L CB -0.276 41.767 42.059 -0.027 0.000 0.953 114 L HN 0.231 nan 8.230 nan 0.000 0.454 115 E N 1.118 121.318 120.200 0.000 0.000 2.058 115 E HA -0.228 4.119 4.350 -0.005 0.000 0.194 115 E C -0.596 176.009 176.600 0.008 0.000 0.997 115 E CA 1.549 57.954 56.400 0.008 0.000 0.801 115 E CB -0.486 29.223 29.700 0.015 0.000 0.746 115 E HN 0.280 nan 8.360 nan 0.000 0.450 116 P HA -0.176 nan 4.420 nan 0.000 0.215 116 P C 1.073 178.375 177.300 0.003 0.000 1.153 116 P CA 1.498 64.601 63.100 0.006 0.000 0.853 116 P CB -0.052 31.650 31.700 0.003 0.000 0.788 117 R N 0.233 120.731 120.500 -0.003 0.000 2.075 117 R HA -0.033 4.304 4.340 -0.005 0.000 0.232 117 R C 2.198 178.492 176.300 -0.009 0.000 1.126 117 R CA 1.431 57.526 56.100 -0.007 0.000 0.963 117 R CB -1.584 28.708 30.300 -0.013 0.000 0.858 117 R HN 0.123 nan 8.270 nan 0.000 0.435 118 I N 0.088 120.652 120.570 -0.010 0.000 2.194 118 I HA -0.322 3.845 4.170 -0.005 0.000 0.246 118 I C 1.789 177.905 176.117 -0.003 0.000 1.093 118 I CA 1.985 63.277 61.300 -0.014 0.000 1.355 118 I CB -0.648 37.346 38.000 -0.009 0.000 1.046 118 I HN 0.245 nan 8.210 nan 0.000 0.413 119 T N 0.293 114.854 114.554 0.011 0.000 2.708 119 T HA -0.182 4.165 4.350 -0.005 0.000 0.266 119 T C 1.702 176.417 174.700 0.025 0.000 1.037 119 T CA 1.492 63.608 62.100 0.025 0.000 1.146 119 T CB -0.339 68.546 68.868 0.028 0.000 0.865 119 T HN 0.453 nan 8.240 nan 0.000 0.435 120 E N 0.810 121.019 120.200 0.015 0.000 2.058 120 E HA -0.104 4.243 4.350 -0.005 0.000 0.194 120 E C 2.187 178.796 176.600 0.014 0.000 0.997 120 E CA 1.119 57.528 56.400 0.015 0.000 0.801 120 E CB -0.414 29.291 29.700 0.007 0.000 0.746 120 E HN 0.466 nan 8.360 nan 0.000 0.450 121 I N 1.204 121.774 120.570 0.001 0.000 2.208 121 I HA -0.299 3.868 4.170 -0.005 0.000 0.245 121 I C 2.551 178.668 176.117 -0.001 0.000 1.097 121 I CA 1.129 62.422 61.300 -0.011 0.000 1.363 121 I CB -0.309 37.667 38.000 -0.040 0.000 1.051 121 I HN 0.107 nan 8.210 nan 0.000 0.413 122 A N 0.289 123.113 122.820 0.008 0.000 1.873 122 A HA -0.220 4.097 4.320 -0.005 0.000 0.215 122 A C 1.977 179.654 177.584 0.154 0.000 1.186 122 A CA 1.954 54.030 52.037 0.064 0.000 0.616 122 A CB -0.604 18.441 19.000 0.076 0.000 0.823 122 A HN 0.314 nan 8.150 nan 0.000 0.442 123 D N -0.236 120.221 120.400 0.095 0.000 2.149 123 D HA -0.083 4.554 4.640 -0.005 0.000 0.198 123 D C 2.045 178.385 176.300 0.066 0.000 0.990 123 D CA 1.468 55.514 54.000 0.077 0.000 0.839 123 D CB -0.614 40.216 40.800 0.049 0.000 0.948 123 D HN 0.430 nan 8.370 nan 0.000 0.460 124 G N 0.507 109.341 108.800 0.055 0.000 2.404 124 G HA2 -0.179 3.778 3.960 -0.005 0.000 0.215 124 G HA3 -0.179 3.778 3.960 -0.005 0.000 0.215 124 G C 1.794 176.730 174.900 0.061 0.000 1.174 124 G CA 0.316 45.443 45.100 0.044 0.000 0.780 124 G HN 0.250 nan 8.290 nan 0.000 0.537 125 L N -0.014 121.265 121.223 0.093 0.000 2.013 125 L HA -0.106 4.231 4.340 -0.005 0.000 0.212 125 L C 2.956 179.913 176.870 0.145 0.000 1.073 125 L CA 0.832 55.759 54.840 0.145 0.000 0.753 125 L CB -0.515 41.674 42.059 0.218 0.000 0.890 125 L HN 0.182 nan 8.230 nan 0.000 0.432 126 L N -0.452 120.861 121.223 0.150 0.000 2.012 126 L HA -0.249 4.087 4.340 -0.005 0.000 0.210 126 L C 2.900 179.770 176.870 -0.001 0.000 1.073 126 L CA 1.375 56.228 54.840 0.022 0.000 0.748 126 L CB -0.822 41.241 42.059 0.007 0.000 0.891 126 L HN 0.274 nan 8.230 nan 0.000 0.431 127 A N 0.196 123.027 122.820 0.018 0.000 1.948 127 A HA -0.177 4.140 4.320 -0.005 0.000 0.220 127 A C 2.283 179.869 177.584 0.004 0.000 1.177 127 A CA 1.879 53.920 52.037 0.007 0.000 0.636 127 A CB -1.237 17.771 19.000 0.014 0.000 0.815 127 A HN 0.491 nan 8.150 nan 0.000 0.449 128 G N -1.145 107.665 108.800 0.015 0.000 2.744 128 G HA2 0.298 4.255 3.960 -0.005 0.000 0.211 128 G HA3 0.298 4.255 3.960 -0.005 0.000 0.211 128 G C 0.530 175.431 174.900 0.003 0.000 1.143 128 G CA -0.139 44.968 45.100 0.012 0.000 0.788 128 G HN 0.408 nan 8.290 nan 0.000 0.534 129 L N 1.783 123.001 121.223 -0.010 0.000 2.350 129 L HA 0.329 4.666 4.340 -0.005 0.000 0.275 129 L C -1.611 175.237 176.870 -0.037 0.000 1.099 129 L CA -1.931 52.892 54.840 -0.028 0.000 0.808 129 L CB 1.252 43.274 42.059 -0.062 0.000 1.149 129 L HN -0.019 nan 8.230 nan 0.000 0.442 130 P HA 0.158 nan 4.420 nan 0.000 0.276 130 P C 0.119 177.392 177.300 -0.045 0.000 1.252 130 P CA -0.440 62.639 63.100 -0.034 0.000 0.802 130 P CB 1.006 32.688 31.700 -0.029 0.000 1.035 131 T N 0.291 114.822 114.554 -0.039 0.000 2.770 131 T HA -0.096 4.251 4.350 -0.005 0.000 0.263 131 T C 0.643 175.317 174.700 -0.043 0.000 1.039 131 T CA 2.046 64.120 62.100 -0.043 0.000 1.142 131 T CB -0.402 68.446 68.868 -0.034 0.000 0.868 131 T HN 0.662 nan 8.240 nan 0.000 0.435 132 D N -0.718 119.660 120.400 -0.036 0.000 2.490 132 D HA 0.234 4.870 4.640 -0.005 0.000 0.246 132 D C 0.989 177.271 176.300 -0.031 0.000 1.196 132 D CA -0.287 53.692 54.000 -0.034 0.000 0.812 132 D CB -0.653 40.130 40.800 -0.029 0.000 1.191 132 D HN 0.339 nan 8.370 nan 0.000 0.531 133 G N 1.526 110.309 108.800 -0.029 0.000 2.690 133 G HA2 0.364 4.321 3.960 -0.005 0.000 0.239 133 G HA3 0.364 4.321 3.960 -0.005 0.000 0.239 133 G C -1.995 172.887 174.900 -0.030 0.000 1.233 133 G CA -0.845 44.239 45.100 -0.026 0.000 0.847 133 G HN 0.022 nan 8.290 nan 0.000 0.588 134 P HA 0.187 nan 4.420 nan 0.000 0.265 134 P C -0.647 176.634 177.300 -0.031 0.000 1.193 134 P CA -0.042 63.041 63.100 -0.029 0.000 0.765 134 P CB 1.114 32.799 31.700 -0.026 0.000 0.823 135 V N 3.191 123.084 119.914 -0.036 0.000 2.525 135 V HA 0.163 4.280 4.120 -0.005 0.000 0.299 135 V C -0.076 175.999 176.094 -0.032 0.000 1.034 135 V CA -0.559 61.720 62.300 -0.034 0.000 0.863 135 V CB 1.837 33.632 31.823 -0.047 0.000 0.999 135 V HN 0.476 nan 8.190 nan 0.000 0.423 136 D N 3.755 124.141 120.400 -0.024 0.000 2.374 136 D HA 0.152 4.789 4.640 -0.005 0.000 0.240 136 D C 0.694 176.996 176.300 0.003 0.000 1.229 136 D CA -0.266 53.721 54.000 -0.022 0.000 0.895 136 D CB 1.441 42.223 40.800 -0.031 0.000 1.046 136 D HN 0.373 nan 8.370 nan 0.000 0.498 137 L N 4.545 125.771 121.223 0.004 0.000 2.275 137 L HA -0.098 4.239 4.340 -0.005 0.000 0.215 137 L C 1.743 178.675 176.870 0.103 0.000 1.119 137 L CA 1.180 56.048 54.840 0.046 0.000 0.790 137 L CB -0.271 41.792 42.059 0.006 0.000 0.919 137 L HN 0.497 nan 8.230 nan 0.000 0.443 138 M N -0.838 118.795 119.600 0.055 0.000 2.074 138 M HA -0.184 4.293 4.480 -0.005 0.000 0.259 138 M C 2.391 178.751 176.300 0.099 0.000 1.079 138 M CA 1.658 56.999 55.300 0.069 0.000 1.119 138 M CB -1.478 31.126 32.600 0.006 0.000 1.297 138 M HN 0.206 nan 8.290 nan 0.000 0.416 139 R N 0.505 121.016 120.500 0.019 0.000 2.120 139 R HA -0.139 4.198 4.340 -0.005 0.000 0.234 139 R C 1.608 177.966 176.300 0.097 0.000 1.123 139 R CA 1.495 57.592 56.100 -0.005 0.000 0.975 139 R CB 0.023 30.265 30.300 -0.096 0.000 0.866 139 R HN 0.520 nan 8.270 nan 0.000 0.446 140 E N -1.961 118.296 120.200 0.096 0.000 2.474 140 E HA -0.083 4.264 4.350 -0.005 0.000 0.194 140 E C 0.338 177.062 176.600 0.207 0.000 1.041 140 E CA 0.543 57.014 56.400 0.119 0.000 0.874 140 E CB 0.421 30.166 29.700 0.075 0.000 0.914 140 E HN 0.407 nan 8.360 nan 0.000 0.498 141 Y N -0.831 119.500 120.300 0.051 0.000 3.260 141 Y HA 0.272 4.819 4.550 -0.006 0.000 0.202 141 Y C 2.001 177.931 175.900 0.050 0.000 0.962 141 Y CA 0.647 58.768 58.100 0.034 0.000 1.582 141 Y CB -0.253 38.210 38.460 0.005 0.000 1.478 141 Y HN -0.062 nan 8.280 nan 0.000 0.384 142 A N 0.542 123.438 122.820 0.128 0.000 1.908 142 A HA -0.210 4.107 4.320 -0.005 0.000 0.218 142 A C 1.951 179.553 177.584 0.031 0.000 1.181 142 A CA 1.938 54.003 52.037 0.046 0.000 0.627 142 A CB -1.331 17.748 19.000 0.132 0.000 0.818 142 A HN 0.643 nan 8.150 nan 0.000 0.445 143 F N 0.270 120.194 119.950 -0.043 0.000 2.186 143 F HA -0.133 4.391 4.527 -0.006 0.000 0.299 143 F C 2.479 178.223 175.800 -0.093 0.000 1.090 143 F CA 1.857 59.827 58.000 -0.050 0.000 1.307 143 F CB -0.052 38.933 39.000 -0.024 0.000 1.019 143 F HN 0.187 nan 8.300 nan 0.000 0.489 144 Q N 0.398 120.150 119.800 -0.081 0.000 2.083 144 Q HA -0.096 4.241 4.340 -0.005 0.000 0.198 144 Q C 2.532 178.382 176.000 -0.251 0.000 0.969 144 Q CA 1.624 57.337 55.803 -0.149 0.000 0.838 144 Q CB -0.448 28.269 28.738 -0.035 0.000 0.900 144 Q HN 0.492 nan 8.270 nan 0.000 0.436 145 I N 1.317 121.720 120.570 -0.278 0.000 2.099 145 I HA -0.251 3.916 4.170 -0.005 0.000 0.239 145 I C -0.654 175.328 176.117 -0.226 0.000 1.066 145 I CA 1.370 62.516 61.300 -0.257 0.000 1.324 145 I CB -1.608 36.202 38.000 -0.318 0.000 1.037 145 I HN 0.132 nan 8.210 nan 0.000 0.401 146 P HA -0.097 nan 4.420 nan 0.000 0.217 146 P C 1.966 179.085 177.300 -0.303 0.000 1.150 146 P CA 1.134 64.103 63.100 -0.219 0.000 0.832 146 P CB -0.009 31.569 31.700 -0.202 0.000 0.787 147 V N -0.046 119.573 119.914 -0.492 0.000 2.307 147 V HA -0.262 3.855 4.120 -0.005 0.000 0.245 147 V C 2.606 178.528 176.094 -0.288 0.000 1.045 147 V CA 1.809 63.755 62.300 -0.590 0.000 1.024 147 V CB -1.244 30.027 31.823 -0.920 0.000 0.651 147 V HN 0.155 nan 8.190 nan 0.000 0.449 148 Q N -0.558 119.115 119.800 -0.211 0.000 2.096 148 Q HA -0.182 4.155 4.340 -0.005 0.000 0.204 148 Q C 2.353 178.305 176.000 -0.081 0.000 0.982 148 Q CA 1.912 57.651 55.803 -0.106 0.000 0.850 148 Q CB -0.354 28.331 28.738 -0.088 0.000 0.901 148 Q HN 0.552 nan 8.270 nan 0.000 0.422 149 V N 0.768 120.622 119.914 -0.100 0.000 2.287 149 V HA -0.260 3.857 4.120 -0.005 0.000 0.248 149 V C 2.151 178.214 176.094 -0.053 0.000 1.053 149 V CA 1.578 63.837 62.300 -0.069 0.000 1.027 149 V CB -0.421 31.362 31.823 -0.065 0.000 0.646 149 V HN 0.306 nan 8.190 nan 0.000 0.447 150 I N -0.602 119.927 120.570 -0.069 0.000 2.315 150 I HA -0.193 3.974 4.170 -0.005 0.000 0.248 150 I C 2.360 178.470 176.117 -0.011 0.000 1.117 150 I CA 1.382 62.665 61.300 -0.029 0.000 1.404 150 I CB -0.384 37.602 38.000 -0.023 0.000 1.071 150 I HN 0.319 nan 8.210 nan 0.000 0.419 151 C N 0.429 119.727 119.300 -0.005 0.000 2.429 151 C HA -0.145 4.312 4.460 -0.005 0.000 0.277 151 C C 2.583 177.590 174.990 0.027 0.000 1.262 151 C CA 1.037 60.082 59.018 0.045 0.000 1.733 151 C CB -1.163 26.641 27.740 0.107 0.000 2.010 151 C HN 0.524 nan 8.230 nan 0.000 0.483 152 E N 0.364 120.567 120.200 0.004 0.000 2.047 152 E HA -0.199 4.148 4.350 -0.005 0.000 0.191 152 E C 2.024 178.612 176.600 -0.019 0.000 0.987 152 E CA 0.901 57.298 56.400 -0.005 0.000 0.799 152 E CB -0.356 29.335 29.700 -0.015 0.000 0.752 152 E HN 0.480 nan 8.360 nan 0.000 0.449 153 L N 1.131 122.335 121.223 -0.032 0.000 2.013 153 L HA -0.206 4.131 4.340 -0.005 0.000 0.212 153 L C 2.066 178.910 176.870 -0.043 0.000 1.073 153 L CA 1.692 56.499 54.840 -0.056 0.000 0.753 153 L CB -0.203 41.817 42.059 -0.065 0.000 0.890 153 L HN 0.111 nan 8.230 nan 0.000 0.432 154 L N -1.146 120.067 121.223 -0.016 0.000 2.162 154 L HA 0.214 4.551 4.340 -0.005 0.000 0.205 154 L C 1.222 178.090 176.870 -0.004 0.000 1.086 154 L CA 0.608 55.444 54.840 -0.008 0.000 0.778 154 L CB -0.593 41.464 42.059 -0.003 0.000 0.928 154 L HN 0.526 nan 8.230 nan 0.000 0.446 155 G N 1.287 110.092 108.800 0.008 0.000 2.683 155 G HA2 -0.179 3.778 3.960 -0.005 0.000 0.234 155 G HA3 -0.179 3.778 3.960 -0.005 0.000 0.234 155 G C -0.474 174.458 174.900 0.053 0.000 1.135 155 G CA -0.566 44.549 45.100 0.024 0.000 0.975 155 G HN 0.110 nan 8.290 nan 0.000 0.511 156 L N 0.597 121.869 121.223 0.081 0.000 2.287 156 L HA 0.431 4.768 4.340 -0.005 0.000 0.287 156 L C -1.854 175.163 176.870 0.245 0.000 1.022 156 L CA -2.240 52.695 54.840 0.159 0.000 0.814 156 L CB 1.700 43.798 42.059 0.066 0.000 1.217 156 L HN -0.036 nan 8.230 nan 0.000 0.420 157 P HA -0.014 nan 4.420 nan 0.000 0.261 157 P C 0.366 177.800 177.300 0.223 0.000 1.183 157 P CA 0.079 63.315 63.100 0.227 0.000 0.761 157 P CB 1.054 32.899 31.700 0.241 0.000 0.785 158 A N 4.743 127.641 122.820 0.130 0.000 2.019 158 A HA -0.192 4.125 4.320 -0.005 0.000 0.219 158 A C 1.796 179.387 177.584 0.011 0.000 1.164 158 A CA 1.315 53.397 52.037 0.075 0.000 0.644 158 A CB -0.738 18.289 19.000 0.045 0.000 0.805 158 A HN 0.655 nan 8.150 nan 0.000 0.449 159 E N 0.089 120.305 120.200 0.026 0.000 2.338 159 E HA -0.165 4.182 4.350 -0.005 0.000 0.197 159 E C -0.028 176.528 176.600 -0.073 0.000 1.007 159 E CA 1.165 57.558 56.400 -0.012 0.000 0.849 159 E CB -0.389 29.324 29.700 0.022 0.000 0.774 159 E HN 0.554 nan 8.360 nan 0.000 0.506 160 D N 0.850 121.201 120.400 -0.082 0.000 2.340 160 D HA 0.104 4.741 4.640 -0.005 0.000 0.217 160 D C 1.573 177.310 176.300 -0.939 0.000 1.081 160 D CA -0.123 53.702 54.000 -0.292 0.000 0.842 160 D CB 0.060 40.868 40.800 0.014 0.000 0.934 160 D HN 0.173 nan 8.370 nan 0.000 0.511 161 R N 0.687 120.725 120.500 -0.771 0.000 2.105 161 R HA -0.116 4.221 4.340 -0.005 0.000 0.239 161 R C 1.177 176.998 176.300 -0.798 0.000 1.135 161 R CA 1.087 56.603 56.100 -0.972 0.000 0.967 161 R CB 0.087 30.215 30.300 -0.287 0.000 0.861 161 R HN 0.063 nan 8.270 nan 0.000 0.442 162 D N 0.245 120.327 120.400 -0.530 0.000 2.178 162 D HA -0.110 4.527 4.640 -0.005 0.000 0.202 162 D C 1.356 177.303 176.300 -0.589 0.000 0.974 162 D CA 0.989 54.742 54.000 -0.411 0.000 0.841 162 D CB -0.202 40.436 40.800 -0.270 0.000 0.953 162 D HN 0.163 nan 8.370 nan 0.000 0.478 163 D N 0.295 120.217 120.400 -0.798 0.000 2.084 163 D HA -0.121 4.516 4.640 -0.005 0.000 0.196 163 D C 2.011 177.293 176.300 -1.697 0.000 0.985 163 D CA 0.787 54.077 54.000 -1.183 0.000 0.826 163 D CB -0.348 39.828 40.800 -1.041 0.000 0.978 163 D HN 0.371 nan 8.370 nan 0.000 0.456 164 F N 1.332 120.642 119.950 -1.068 0.000 2.512 164 F HA 0.101 4.625 4.527 -0.005 0.000 0.296 164 F C 2.270 177.819 175.800 -0.419 0.000 1.110 164 F CA 0.618 58.215 58.000 -0.671 0.000 1.446 164 F CB -1.168 37.640 39.000 -0.320 0.000 1.092 164 F HN -0.126 nan 8.300 nan 0.000 0.554 165 S N 1.035 116.630 115.700 -0.175 0.000 2.387 165 S HA 0.011 4.478 4.470 -0.005 0.000 0.226 165 S C 2.234 176.810 174.600 -0.041 0.000 1.026 165 S CA 0.610 58.847 58.200 0.062 0.000 0.972 165 S CB -1.089 62.351 63.200 0.401 0.000 0.814 165 S HN 0.470 nan 8.310 nan 0.000 0.477 166 A N 1.485 124.161 122.820 -0.240 0.000 1.902 166 A HA -0.025 4.292 4.320 -0.005 0.000 0.217 166 A C 2.052 179.620 177.584 -0.026 0.000 1.181 166 A CA 1.401 53.324 52.037 -0.189 0.000 0.623 166 A CB -1.163 17.656 19.000 -0.301 0.000 0.818 166 A HN 0.747 nan 8.150 nan 0.000 0.443 167 W N -0.108 121.191 121.300 -0.002 0.000 2.381 167 W HA -0.065 4.592 4.660 -0.005 0.000 0.301 167 W C 2.956 179.479 176.519 0.006 0.000 1.205 167 W CA 0.898 58.247 57.345 0.007 0.000 1.285 167 W CB -1.524 27.946 29.460 0.017 0.000 1.133 167 W HN 0.447 nan 8.180 nan 0.000 0.521 168 S N 0.723 116.540 115.700 0.194 0.000 2.368 168 S HA -0.172 4.295 4.470 -0.005 0.000 0.225 168 S C 2.146 176.816 174.600 0.117 0.000 1.030 168 S CA 2.362 60.624 58.200 0.104 0.000 0.999 168 S CB -0.538 62.627 63.200 -0.059 0.000 0.844 168 S HN 0.225 nan 8.310 nan 0.000 0.459 169 S N 0.643 116.410 115.700 0.112 0.000 2.406 169 S HA 0.007 4.473 4.470 -0.005 0.000 0.228 169 S C 1.820 176.466 174.600 0.077 0.000 1.020 169 S CA 1.047 59.305 58.200 0.097 0.000 0.965 169 S CB -0.806 62.433 63.200 0.064 0.000 0.798 169 S HN 0.354 nan 8.310 nan 0.000 0.488 170 V N 2.307 122.273 119.914 0.086 0.000 2.392 170 V HA -0.108 4.008 4.120 -0.005 0.000 0.249 170 V C 2.353 178.491 176.094 0.074 0.000 1.059 170 V CA 1.633 63.979 62.300 0.078 0.000 1.051 170 V CB -0.842 31.043 31.823 0.103 0.000 0.658 170 V HN 0.495 nan 8.190 nan 0.000 0.455 171 L N -1.000 120.275 121.223 0.087 0.000 2.376 171 L HA -0.029 4.308 4.340 -0.005 0.000 0.219 171 L C 2.009 178.922 176.870 0.072 0.000 1.133 171 L CA 0.560 55.445 54.840 0.075 0.000 0.816 171 L CB -0.278 41.827 42.059 0.078 0.000 0.933 171 L HN 0.179 nan 8.230 nan 0.000 0.449 172 V N -0.917 119.043 119.914 0.077 0.000 3.661 172 V HA 0.028 4.145 4.120 -0.005 0.000 0.271 172 V C 0.434 176.571 176.094 0.072 0.000 1.315 172 V CA 0.422 62.772 62.300 0.082 0.000 1.072 172 V CB 0.088 31.972 31.823 0.101 0.000 0.830 172 V HN 0.511 nan 8.190 nan 0.000 0.443 173 D N -1.024 119.406 120.400 0.050 0.000 2.627 173 D HA 0.102 4.739 4.640 -0.005 0.000 0.259 173 D C 0.536 176.846 176.300 0.017 0.000 1.164 173 D CA -0.178 53.833 54.000 0.019 0.000 1.087 173 D CB -0.097 40.693 40.800 -0.017 0.000 1.217 173 D HN 0.050 nan 8.370 nan 0.000 0.630 174 D N -0.775 119.613 120.400 -0.021 0.000 2.355 174 D HA -0.045 4.592 4.640 -0.005 0.000 0.253 174 D C -0.389 175.918 176.300 0.012 0.000 1.187 174 D CA -0.221 53.780 54.000 0.002 0.000 0.900 174 D CB -0.805 39.978 40.800 -0.027 0.000 0.915 174 D HN 0.146 nan 8.370 nan 0.000 0.516 175 S N 1.702 117.412 115.700 0.017 0.000 2.563 175 S HA 0.172 4.639 4.470 -0.005 0.000 0.284 175 S C -2.174 172.445 174.600 0.031 0.000 1.331 175 S CA -0.823 57.392 58.200 0.024 0.000 1.047 175 S CB 0.512 63.731 63.200 0.033 0.000 0.859 175 S HN 0.244 nan 8.310 nan 0.000 0.514 176 P HA 0.100 nan 4.420 nan 0.000 0.266 176 P C 0.344 177.666 177.300 0.036 0.000 1.195 176 P CA -0.063 63.056 63.100 0.031 0.000 0.768 176 P CB 0.329 32.045 31.700 0.027 0.000 0.838 177 A N 3.022 125.865 122.820 0.039 0.000 1.978 177 A HA -0.225 4.092 4.320 -0.005 0.000 0.220 177 A C 1.706 179.315 177.584 0.041 0.000 1.170 177 A CA 1.829 53.894 52.037 0.045 0.000 0.636 177 A CB -0.949 18.082 19.000 0.052 0.000 0.810 177 A HN 0.487 nan 8.150 nan 0.000 0.448 178 D N 0.012 120.432 120.400 0.033 0.000 2.149 178 D HA -0.089 4.548 4.640 -0.005 0.000 0.201 178 D C 1.194 177.510 176.300 0.025 0.000 0.972 178 D CA 1.292 55.308 54.000 0.027 0.000 0.835 178 D CB -0.389 40.423 40.800 0.022 0.000 0.966 178 D HN 0.395 nan 8.370 nan 0.000 0.476 179 D N 0.807 121.225 120.400 0.030 0.000 2.144 179 D HA -0.089 4.547 4.640 -0.005 0.000 0.199 179 D C 1.955 178.278 176.300 0.038 0.000 0.984 179 D CA 0.814 54.835 54.000 0.035 0.000 0.834 179 D CB -0.030 40.793 40.800 0.039 0.000 0.955 179 D HN 0.214 nan 8.370 nan 0.000 0.465 180 K N 0.357 120.780 120.400 0.039 0.000 2.057 180 K HA -0.054 4.263 4.320 -0.005 0.000 0.206 180 K C 1.883 178.498 176.600 0.024 0.000 1.050 180 K CA 0.599 56.910 56.287 0.041 0.000 0.935 180 K CB -0.102 32.426 32.500 0.046 0.000 0.715 180 K HN 0.126 nan 8.250 nan 0.000 0.439 181 N N 0.908 119.620 118.700 0.021 0.000 2.104 181 N HA -0.168 4.569 4.740 -0.005 0.000 0.190 181 N C 1.823 177.320 175.510 -0.021 0.000 1.024 181 N CA 1.421 54.474 53.050 0.005 0.000 0.853 181 N CB -0.056 38.440 38.487 0.015 0.000 1.008 181 N HN 0.190 nan 8.380 nan 0.000 0.424 182 A N 1.060 123.869 122.820 -0.018 0.000 1.898 182 A HA 0.046 4.363 4.320 -0.005 0.000 0.216 182 A C 2.397 179.921 177.584 -0.100 0.000 1.181 182 A CA 1.704 53.714 52.037 -0.044 0.000 0.620 182 A CB -0.726 18.265 19.000 -0.014 0.000 0.819 182 A HN 0.344 nan 8.150 nan 0.000 0.442 183 A N -0.477 122.309 122.820 -0.057 0.000 1.883 183 A HA -0.193 4.124 4.320 -0.005 0.000 0.217 183 A C 2.306 179.798 177.584 -0.154 0.000 1.186 183 A CA 2.017 54.001 52.037 -0.087 0.000 0.624 183 A CB -0.591 18.463 19.000 0.091 0.000 0.822 183 A HN 0.615 nan 8.150 nan 0.000 0.444 184 M N -0.277 119.284 119.600 -0.064 0.000 2.108 184 M HA -0.120 4.356 4.480 -0.005 0.000 0.261 184 M C 2.060 178.315 176.300 -0.076 0.000 1.066 184 M CA 1.943 57.217 55.300 -0.044 0.000 1.107 184 M CB -0.484 32.104 32.600 -0.020 0.000 1.356 184 M HN 0.422 nan 8.290 nan 0.000 0.406 185 G N 0.510 109.243 108.800 -0.111 0.000 2.446 185 G HA2 -0.242 3.715 3.960 -0.005 0.000 0.217 185 G HA3 -0.242 3.715 3.960 -0.005 0.000 0.217 185 G C 1.501 176.291 174.900 -0.184 0.000 1.168 185 G CA 1.078 46.111 45.100 -0.113 0.000 0.771 185 G HN 0.462 nan 8.290 nan 0.000 0.551 186 K N -0.351 119.806 120.400 -0.405 0.000 2.097 186 K HA 0.153 4.470 4.320 -0.005 0.000 0.206 186 K C 2.407 178.514 176.600 -0.822 0.000 1.049 186 K CA 0.503 56.331 56.287 -0.765 0.000 0.933 186 K CB -0.223 31.417 32.500 -1.433 0.000 0.717 186 K HN 0.226 nan 8.250 nan 0.000 0.442 187 L N 0.344 121.235 121.223 -0.554 0.000 2.072 187 L HA -0.178 4.159 4.340 -0.005 0.000 0.205 187 L C 2.670 179.556 176.870 0.028 0.000 1.079 187 L CA 1.239 56.004 54.840 -0.125 0.000 0.752 187 L CB -0.372 41.720 42.059 0.056 0.000 0.906 187 L HN 0.447 nan 8.230 nan 0.000 0.436 188 H N -0.264 118.760 119.070 -0.077 0.000 2.321 188 H HA -0.154 4.399 4.556 -0.005 0.000 0.300 188 H C 1.846 177.160 175.328 -0.024 0.000 1.087 188 H CA 1.879 57.905 56.048 -0.035 0.000 1.319 188 H CB 0.063 29.796 29.762 -0.050 0.000 1.379 188 H HN 0.371 nan 8.280 nan 0.000 0.501 189 G N -0.397 108.419 108.800 0.027 0.000 2.421 189 G HA2 -0.327 3.630 3.960 -0.005 0.000 0.216 189 G HA3 -0.327 3.630 3.960 -0.005 0.000 0.216 189 G C 1.749 176.639 174.900 -0.017 0.000 1.171 189 G CA 0.760 45.858 45.100 -0.004 0.000 0.775 189 G HN 0.543 nan 8.290 nan 0.000 0.543 190 Y N 1.155 121.423 120.300 -0.054 0.000 2.081 190 Y HA -0.137 4.410 4.550 -0.005 0.000 0.280 190 Y C 2.558 178.482 175.900 0.040 0.000 1.163 190 Y CA 1.775 59.919 58.100 0.073 0.000 1.135 190 Y CB -0.269 38.365 38.460 0.289 0.000 0.970 190 Y HN 0.116 nan 8.280 nan 0.000 0.498 191 L N -1.271 119.976 121.223 0.041 0.000 2.109 191 L HA -0.173 4.164 4.340 -0.005 0.000 0.207 191 L C 2.779 179.532 176.870 -0.194 0.000 1.086 191 L CA 1.267 56.060 54.840 -0.078 0.000 0.760 191 L CB -0.772 41.294 42.059 0.013 0.000 0.910 191 L HN 0.169 nan 8.230 nan 0.000 0.437 192 S N -0.101 115.450 115.700 -0.248 0.000 2.359 192 S HA -0.221 4.246 4.470 -0.005 0.000 0.224 192 S C 1.619 176.119 174.600 -0.167 0.000 1.035 192 S CA 1.796 59.855 58.200 -0.235 0.000 1.018 192 S CB -0.180 62.849 63.200 -0.286 0.000 0.876 192 S HN 0.418 nan 8.310 nan 0.000 0.448 193 D N 1.140 121.436 120.400 -0.172 0.000 2.097 193 D HA -0.057 4.580 4.640 -0.005 0.000 0.195 193 D C 1.983 178.169 176.300 -0.190 0.000 0.989 193 D CA 0.612 54.520 54.000 -0.153 0.000 0.827 193 D CB -0.588 40.131 40.800 -0.134 0.000 0.966 193 D HN 0.300 nan 8.370 nan 0.000 0.456 194 L N 0.419 121.456 121.223 -0.309 0.000 2.012 194 L HA -0.196 4.141 4.340 -0.005 0.000 0.210 194 L C 2.353 179.138 176.870 -0.142 0.000 1.073 194 L CA 1.087 55.767 54.840 -0.266 0.000 0.748 194 L CB -0.249 41.595 42.059 -0.357 0.000 0.891 194 L HN 0.087 nan 8.230 nan 0.000 0.431 195 L N -0.706 120.440 121.223 -0.129 0.000 2.046 195 L HA -0.230 4.107 4.340 -0.005 0.000 0.208 195 L C 2.693 179.523 176.870 -0.067 0.000 1.077 195 L CA 1.105 55.895 54.840 -0.084 0.000 0.747 195 L CB -0.619 41.392 42.059 -0.079 0.000 0.896 195 L HN 0.258 nan 8.230 nan 0.000 0.432 196 E N 0.357 120.513 120.200 -0.073 0.000 2.070 196 E HA -0.241 4.106 4.350 -0.005 0.000 0.197 196 E C 2.332 178.906 176.600 -0.044 0.000 1.004 196 E CA 1.376 57.745 56.400 -0.053 0.000 0.805 196 E CB -0.191 29.477 29.700 -0.052 0.000 0.744 196 E HN 0.472 nan 8.360 nan 0.000 0.451 197 R N 0.656 121.124 120.500 -0.053 0.000 2.091 197 R HA -0.107 4.230 4.340 -0.005 0.000 0.238 197 R C 2.443 178.725 176.300 -0.029 0.000 1.136 197 R CA 1.169 57.246 56.100 -0.038 0.000 0.959 197 R CB -0.198 30.077 30.300 -0.043 0.000 0.856 197 R HN 0.118 nan 8.270 nan 0.000 0.437 198 K N 0.280 120.659 120.400 -0.035 0.000 2.097 198 K HA -0.163 4.154 4.320 -0.005 0.000 0.206 198 K C 2.169 178.757 176.600 -0.020 0.000 1.049 198 K CA 1.006 57.278 56.287 -0.025 0.000 0.933 198 K CB -0.163 32.320 32.500 -0.028 0.000 0.717 198 K HN 0.105 nan 8.250 nan 0.000 0.442 199 R N 0.681 121.167 120.500 -0.023 0.000 2.112 199 R HA -0.182 4.155 4.340 -0.005 0.000 0.242 199 R C 2.088 178.380 176.300 -0.014 0.000 1.137 199 R CA 2.399 58.488 56.100 -0.018 0.000 0.944 199 R CB -0.394 29.894 30.300 -0.019 0.000 0.857 199 R HN 0.174 nan 8.270 nan 0.000 0.435 200 T N 0.700 115.246 114.554 -0.014 0.000 2.708 200 T HA -0.147 4.200 4.350 -0.005 0.000 0.266 200 T C 0.290 174.986 174.700 -0.008 0.000 1.037 200 T CA 1.680 63.774 62.100 -0.010 0.000 1.146 200 T CB -0.115 68.748 68.868 -0.010 0.000 0.865 200 T HN 0.532 nan 8.240 nan 0.000 0.435 201 E N 1.730 121.925 120.200 -0.008 0.000 2.593 201 E HA 0.376 4.723 4.350 -0.005 0.000 0.232 201 E C -3.173 173.423 176.600 -0.006 0.000 1.026 201 E CA -2.290 54.106 56.400 -0.006 0.000 0.772 201 E CB 1.186 30.885 29.700 -0.002 0.000 1.310 201 E HN 0.183 nan 8.360 nan 0.000 0.413 202 P HA 0.013 nan 4.420 nan 0.000 0.271 202 P C -0.713 176.583 177.300 -0.006 0.000 1.233 202 P CA 0.179 63.274 63.100 -0.008 0.000 0.789 202 P CB 0.606 32.300 31.700 -0.009 0.000 0.951 203 D N -1.293 119.103 120.400 -0.007 0.000 2.758 203 D HA 0.253 4.890 4.640 -0.005 0.000 0.279 203 D C -0.253 176.041 176.300 -0.011 0.000 1.111 203 D CA -0.408 53.589 54.000 -0.006 0.000 1.109 203 D CB -0.100 40.698 40.800 -0.002 0.000 1.428 203 D HN 0.069 nan 8.370 nan 0.000 0.586 204 D N -0.958 119.434 120.400 -0.012 0.000 2.339 204 D HA 0.326 4.963 4.640 -0.005 0.000 0.217 204 D C 0.398 176.683 176.300 -0.026 0.000 1.050 204 D CA 0.001 53.990 54.000 -0.018 0.000 0.856 204 D CB 0.299 41.088 40.800 -0.018 0.000 0.922 204 D HN 0.497 nan 8.370 nan 0.000 0.518 205 A N 0.190 122.996 122.820 -0.024 0.000 2.257 205 A HA 0.317 4.634 4.320 -0.005 0.000 0.290 205 A C 1.403 178.966 177.584 -0.035 0.000 1.201 205 A CA -0.497 51.520 52.037 -0.033 0.000 0.863 205 A CB 0.397 19.383 19.000 -0.023 0.000 1.256 205 A HN 0.126 nan 8.150 nan 0.000 0.506 206 L N -0.620 120.577 121.223 -0.043 0.000 2.056 206 L HA -0.125 4.212 4.340 -0.005 0.000 0.207 206 L C 2.228 179.089 176.870 -0.014 0.000 1.078 206 L CA 1.366 56.182 54.840 -0.039 0.000 0.749 206 L CB -0.383 41.648 42.059 -0.047 0.000 0.901 206 L HN 0.743 nan 8.230 nan 0.000 0.433 207 L N -1.293 119.924 121.223 -0.009 0.000 2.083 207 L HA -0.211 4.126 4.340 -0.005 0.000 0.209 207 L C 2.636 179.499 176.870 -0.011 0.000 1.083 207 L CA 1.037 55.873 54.840 -0.007 0.000 0.752 207 L CB -0.515 41.538 42.059 -0.009 0.000 0.899 207 L HN 0.193 nan 8.230 nan 0.000 0.433 208 S N -0.470 115.222 115.700 -0.014 0.000 2.356 208 S HA -0.172 4.295 4.470 -0.005 0.000 0.223 208 S C 2.222 176.814 174.600 -0.013 0.000 1.032 208 S CA 1.598 59.790 58.200 -0.014 0.000 1.005 208 S CB -0.115 63.077 63.200 -0.013 0.000 0.867 208 S HN 0.371 nan 8.310 nan 0.000 0.449 209 S N 1.806 117.498 115.700 -0.014 0.000 2.359 209 S HA -0.017 4.450 4.470 -0.005 0.000 0.224 209 S C 1.805 176.400 174.600 -0.007 0.000 1.035 209 S CA 1.071 59.263 58.200 -0.013 0.000 1.018 209 S CB -0.474 62.714 63.200 -0.019 0.000 0.876 209 S HN 0.374 nan 8.310 nan 0.000 0.448 210 L N 0.957 122.178 121.223 -0.003 0.000 2.141 210 L HA 0.008 4.345 4.340 -0.005 0.000 0.209 210 L C 2.346 179.214 176.870 -0.002 0.000 1.094 210 L CA 0.716 55.558 54.840 0.003 0.000 0.763 210 L CB -0.422 41.645 42.059 0.013 0.000 0.908 210 L HN 0.304 nan 8.230 nan 0.000 0.437 211 L N -0.253 120.966 121.223 -0.007 0.000 2.093 211 L HA -0.163 4.174 4.340 -0.005 0.000 0.208 211 L C 2.693 179.557 176.870 -0.009 0.000 1.085 211 L CA 1.230 56.063 54.840 -0.011 0.000 0.755 211 L CB -0.178 41.871 42.059 -0.016 0.000 0.904 211 L HN 0.234 nan 8.230 nan 0.000 0.435 212 A N -0.626 122.189 122.820 -0.008 0.000 1.873 212 A HA -0.141 4.176 4.320 -0.005 0.000 0.215 212 A C 2.171 179.751 177.584 -0.006 0.000 1.186 212 A CA 1.615 53.648 52.037 -0.007 0.000 0.616 212 A CB -0.885 18.110 19.000 -0.008 0.000 0.823 212 A HN 0.280 nan 8.150 nan 0.000 0.442 213 V N -0.167 119.744 119.914 -0.004 0.000 2.282 213 V HA -0.268 3.849 4.120 -0.005 0.000 0.249 213 V C 2.839 178.931 176.094 -0.003 0.000 1.057 213 V CA 2.489 64.788 62.300 -0.003 0.000 1.032 213 V CB -0.879 30.944 31.823 -0.000 0.000 0.645 213 V HN 0.666 nan 8.190 nan 0.000 0.447 214 S N -0.672 115.026 115.700 -0.003 0.000 2.368 214 S HA -0.216 4.251 4.470 -0.005 0.000 0.224 214 S C 1.765 176.363 174.600 -0.003 0.000 1.029 214 S CA 1.681 59.880 58.200 -0.003 0.000 0.988 214 S CB -0.437 62.761 63.200 -0.004 0.000 0.838 214 S HN 0.649 nan 8.310 nan 0.000 0.462 215 D N 1.065 121.462 120.400 -0.005 0.000 2.123 215 D HA -0.077 4.560 4.640 -0.005 0.000 0.196 215 D C 1.910 178.208 176.300 -0.004 0.000 0.992 215 D CA 1.314 55.312 54.000 -0.005 0.000 0.833 215 D CB -0.305 40.491 40.800 -0.006 0.000 0.954 215 D HN 0.467 nan 8.370 nan 0.000 0.455 216 M N -0.631 118.967 119.600 -0.004 0.000 2.319 216 M HA -0.063 4.414 4.480 -0.005 0.000 0.265 216 M C -0.010 176.289 176.300 -0.002 0.000 1.068 216 M CA 0.815 56.114 55.300 -0.003 0.000 1.118 216 M CB 0.435 33.033 32.600 -0.003 0.000 1.395 216 M HN -0.202 nan 8.290 nan 0.000 0.435 217 D N -0.745 119.654 120.400 -0.002 0.000 2.351 217 D HA 0.217 4.854 4.640 -0.005 0.000 0.235 217 D C 0.447 176.747 176.300 -0.001 0.000 1.331 217 D CA -0.049 53.950 54.000 -0.001 0.000 0.959 217 D CB 0.629 41.428 40.800 -0.002 0.000 1.432 217 D HN 0.119 nan 8.370 nan 0.000 0.544 218 G N 1.489 110.289 108.800 -0.000 0.000 2.650 218 G HA2 -0.129 3.828 3.960 -0.005 0.000 0.214 218 G HA3 -0.129 3.828 3.960 -0.005 0.000 0.214 218 G C 0.950 175.851 174.900 0.002 0.000 1.136 218 G CA 0.212 45.312 45.100 0.001 0.000 0.789 218 G HN 0.393 nan 8.290 nan 0.000 0.536 219 D N 0.062 120.463 120.400 0.001 0.000 2.249 219 D HA 0.019 4.656 4.640 -0.005 0.000 0.205 219 D C 2.369 178.670 176.300 0.000 0.000 0.962 219 D CA 0.257 54.258 54.000 0.002 0.000 0.860 219 D CB 0.179 40.980 40.800 0.002 0.000 0.955 219 D HN 0.244 nan 8.370 nan 0.000 0.505 220 R N -0.403 120.096 120.500 -0.001 0.000 2.075 220 R HA 0.054 4.391 4.340 -0.005 0.000 0.226 220 R C 0.040 176.338 176.300 -0.004 0.000 1.114 220 R CA 0.536 56.634 56.100 -0.004 0.000 0.972 220 R CB 0.268 30.566 30.300 -0.004 0.000 0.869 220 R HN -0.014 nan 8.270 nan 0.000 0.437 221 L N 0.795 122.017 121.223 -0.001 0.000 2.555 221 L HA 0.271 4.608 4.340 -0.005 0.000 0.264 221 L C -0.692 176.179 176.870 0.003 0.000 0.972 221 L CA -0.412 54.429 54.840 0.001 0.000 0.876 221 L CB 1.636 43.696 42.059 0.001 0.000 1.216 221 L HN 0.103 nan 8.230 nan 0.000 0.415 222 S N 2.992 118.695 115.700 0.006 0.000 2.624 222 S HA 0.241 4.708 4.470 -0.005 0.000 0.263 222 S C 0.801 175.407 174.600 0.009 0.000 1.287 222 S CA -0.339 57.866 58.200 0.008 0.000 0.990 222 S CB 0.944 64.151 63.200 0.012 0.000 0.950 222 S HN 0.711 nan 8.310 nan 0.000 0.561 223 Q N 0.435 120.241 119.800 0.010 0.000 2.050 223 Q HA -0.119 4.218 4.340 -0.005 0.000 0.202 223 Q C 1.987 177.998 176.000 0.017 0.000 0.980 223 Q CA 1.614 57.421 55.803 0.007 0.000 0.840 223 Q CB -0.473 28.269 28.738 0.007 0.000 0.898 223 Q HN 0.749 nan 8.270 nan 0.000 0.424 224 E N 0.825 121.049 120.200 0.039 0.000 2.077 224 E HA -0.170 4.177 4.350 -0.005 0.000 0.193 224 E C 1.890 178.523 176.600 0.055 0.000 0.989 224 E CA 0.938 57.382 56.400 0.074 0.000 0.800 224 E CB -0.115 29.629 29.700 0.073 0.000 0.746 224 E HN 0.445 nan 8.360 nan 0.000 0.452 225 E N 0.263 120.483 120.200 0.032 0.000 2.118 225 E HA -0.187 4.160 4.350 -0.005 0.000 0.195 225 E C 2.106 178.717 176.600 0.018 0.000 0.992 225 E CA 0.805 57.218 56.400 0.023 0.000 0.804 225 E CB -0.132 29.576 29.700 0.014 0.000 0.741 225 E HN 0.076 nan 8.360 nan 0.000 0.458 226 L N 0.283 121.513 121.223 0.012 0.000 2.027 226 L HA -0.143 4.194 4.340 -0.005 0.000 0.206 226 L C 2.125 178.992 176.870 -0.004 0.000 1.074 226 L CA 1.391 56.233 54.840 0.003 0.000 0.745 226 L CB -0.296 41.760 42.059 -0.005 0.000 0.898 226 L HN -0.067 nan 8.230 nan 0.000 0.433 227 V N 0.467 120.372 119.914 -0.015 0.000 2.343 227 V HA -0.249 3.867 4.120 -0.005 0.000 0.247 227 V C 2.873 178.972 176.094 0.009 0.000 1.051 227 V CA 1.585 63.858 62.300 -0.045 0.000 1.036 227 V CB -1.558 30.176 31.823 -0.149 0.000 0.654 227 V HN 0.621 nan 8.190 nan 0.000 0.451 228 A N -0.427 122.421 122.820 0.045 0.000 1.933 228 A HA -0.253 4.064 4.320 -0.005 0.000 0.218 228 A C 2.169 179.771 177.584 0.031 0.000 1.175 228 A CA 2.315 54.383 52.037 0.051 0.000 0.628 228 A CB -0.504 18.521 19.000 0.043 0.000 0.814 228 A HN 0.489 nan 8.150 nan 0.000 0.444 229 M N 0.122 119.736 119.600 0.024 0.000 2.132 229 M HA 0.006 4.483 4.480 -0.005 0.000 0.263 229 M C 2.153 178.469 176.300 0.028 0.000 1.065 229 M CA 1.761 57.076 55.300 0.024 0.000 1.122 229 M CB -0.482 32.133 32.600 0.024 0.000 1.365 229 M HN 0.357 nan 8.290 nan 0.000 0.411 230 A N -0.045 122.787 122.820 0.019 0.000 1.908 230 A HA -0.225 4.092 4.320 -0.005 0.000 0.218 230 A C 2.335 179.926 177.584 0.013 0.000 1.181 230 A CA 2.158 54.203 52.037 0.013 0.000 0.627 230 A CB -0.878 18.119 19.000 -0.004 0.000 0.818 230 A HN 0.676 nan 8.150 nan 0.000 0.445 231 M N -1.188 118.424 119.600 0.021 0.000 2.086 231 M HA -0.147 4.330 4.480 -0.005 0.000 0.261 231 M C 2.078 178.396 176.300 0.031 0.000 1.067 231 M CA 1.959 57.278 55.300 0.031 0.000 1.116 231 M CB -0.205 32.424 32.600 0.049 0.000 1.348 231 M HN 0.425 nan 8.290 nan 0.000 0.407 232 L N 0.641 121.883 121.223 0.031 0.000 2.012 232 L HA -0.183 4.154 4.340 -0.005 0.000 0.210 232 L C 1.986 178.879 176.870 0.038 0.000 1.073 232 L CA 1.908 56.767 54.840 0.032 0.000 0.748 232 L CB -0.769 41.304 42.059 0.025 0.000 0.891 232 L HN 0.365 nan 8.230 nan 0.000 0.431 233 L N -1.363 119.884 121.223 0.040 0.000 2.093 233 L HA -0.199 4.138 4.340 -0.005 0.000 0.208 233 L C 2.515 179.430 176.870 0.074 0.000 1.085 233 L CA 1.190 56.067 54.840 0.060 0.000 0.755 233 L CB -0.520 41.595 42.059 0.093 0.000 0.904 233 L HN 0.377 nan 8.230 nan 0.000 0.435 234 L N 0.016 121.268 121.223 0.049 0.000 2.005 234 L HA -0.216 4.121 4.340 -0.005 0.000 0.207 234 L C 2.506 179.464 176.870 0.146 0.000 1.072 234 L CA 1.504 56.377 54.840 0.056 0.000 0.744 234 L CB -0.075 41.929 42.059 -0.091 0.000 0.895 234 L HN 0.091 nan 8.230 nan 0.000 0.433 235 I N 0.175 120.791 120.570 0.077 0.000 2.163 235 I HA -0.304 3.862 4.170 -0.005 0.000 0.243 235 I C 2.783 178.985 176.117 0.142 0.000 1.085 235 I CA 1.231 62.589 61.300 0.098 0.000 1.347 235 I CB -0.615 37.428 38.000 0.071 0.000 1.044 235 I HN 0.360 nan 8.210 nan 0.000 0.408 236 A N 0.835 123.719 122.820 0.108 0.000 1.940 236 A HA -0.157 4.160 4.320 -0.005 0.000 0.219 236 A C 2.381 180.028 177.584 0.106 0.000 1.176 236 A CA 1.946 54.041 52.037 0.097 0.000 0.631 236 A CB -1.426 17.609 19.000 0.059 0.000 0.814 236 A HN 0.489 nan 8.150 nan 0.000 0.446 237 G N -2.544 106.328 108.800 0.121 0.000 2.598 237 G HA2 -0.021 3.936 3.960 -0.005 0.000 0.215 237 G HA3 -0.021 3.936 3.960 -0.005 0.000 0.215 237 G C 1.188 176.070 174.900 -0.029 0.000 1.131 237 G CA 1.106 46.240 45.100 0.057 0.000 0.785 237 G HN 0.695 nan 8.290 nan 0.000 0.539 238 H N -0.880 118.193 119.070 0.004 0.000 2.681 238 H HA 0.244 4.797 4.556 -0.005 0.000 0.268 238 H C 1.428 176.812 175.328 0.094 0.000 0.967 238 H CA 0.562 56.613 56.048 0.005 0.000 1.233 238 H CB 0.778 30.617 29.762 0.128 0.000 1.445 238 H HN 0.205 nan 8.280 nan 0.000 0.494 239 E N -0.320 120.009 120.200 0.216 0.000 2.630 239 E HA 0.111 4.458 4.350 -0.005 0.000 0.218 239 E C 0.831 177.522 176.600 0.153 0.000 0.977 239 E CA 0.618 57.138 56.400 0.199 0.000 1.038 239 E CB 0.995 30.805 29.700 0.184 0.000 1.051 239 E HN 0.544 nan 8.360 nan 0.000 0.487 240 T N -2.984 111.646 114.554 0.128 0.000 3.393 240 T HA 0.014 4.361 4.350 -0.005 0.000 0.231 240 T C 1.956 176.724 174.700 0.113 0.000 0.983 240 T CA 0.688 62.862 62.100 0.123 0.000 1.272 240 T CB -0.543 68.401 68.868 0.127 0.000 1.214 240 T HN -0.158 nan 8.240 nan 0.000 0.368 241 T N 2.494 117.105 114.554 0.096 0.000 2.803 241 T HA -0.093 4.254 4.350 -0.005 0.000 0.269 241 T C 1.983 176.723 174.700 0.066 0.000 1.052 241 T CA 1.277 63.428 62.100 0.084 0.000 1.136 241 T CB -0.783 68.118 68.868 0.055 0.000 0.864 241 T HN 0.254 nan 8.240 nan 0.000 0.467 242 V N 2.484 122.433 119.914 0.058 0.000 2.370 242 V HA -0.247 3.870 4.120 -0.005 0.000 0.252 242 V C 1.818 177.972 176.094 0.100 0.000 1.068 242 V CA 1.954 64.302 62.300 0.079 0.000 1.061 242 V CB -0.440 31.472 31.823 0.147 0.000 0.656 242 V HN 0.497 nan 8.190 nan 0.000 0.455 243 N N -0.571 118.194 118.700 0.109 0.000 2.405 243 N HA 0.014 4.751 4.740 -0.005 0.000 0.175 243 N C 1.538 177.110 175.510 0.103 0.000 1.051 243 N CA 1.034 54.153 53.050 0.114 0.000 0.899 243 N CB 0.093 38.662 38.487 0.135 0.000 1.000 243 N HN 0.490 nan 8.380 nan 0.000 0.451 244 L N 1.684 122.964 121.223 0.094 0.000 2.012 244 L HA -0.035 4.302 4.340 -0.005 0.000 0.210 244 L C 1.859 178.773 176.870 0.074 0.000 1.073 244 L CA 1.462 56.356 54.840 0.089 0.000 0.748 244 L CB -0.658 41.460 42.059 0.099 0.000 0.891 244 L HN 0.011 nan 8.230 nan 0.000 0.431 245 I N -0.512 120.106 120.570 0.079 0.000 2.142 245 I HA -0.202 3.965 4.170 -0.005 0.000 0.240 245 I C 2.519 178.673 176.117 0.062 0.000 1.078 245 I CA 1.372 62.721 61.300 0.082 0.000 1.343 245 I CB -1.215 36.837 38.000 0.087 0.000 1.046 245 I HN 0.415 nan 8.210 nan 0.000 0.405 246 G N 1.008 109.850 108.800 0.071 0.000 2.433 246 G HA2 -0.244 3.713 3.960 -0.005 0.000 0.216 246 G HA3 -0.244 3.713 3.960 -0.005 0.000 0.216 246 G C 1.411 176.334 174.900 0.039 0.000 1.186 246 G CA 0.866 46.001 45.100 0.058 0.000 0.779 246 G HN 0.301 nan 8.290 nan 0.000 0.543 247 N N 1.205 119.940 118.700 0.059 0.000 2.166 247 N HA -0.062 4.675 4.740 -0.005 0.000 0.186 247 N C 2.273 177.732 175.510 -0.083 0.000 1.019 247 N CA 1.337 54.430 53.050 0.072 0.000 0.856 247 N CB -0.832 37.740 38.487 0.143 0.000 0.993 247 N HN 0.330 nan 8.380 nan 0.000 0.426 248 G N 0.877 109.517 108.800 -0.267 0.000 2.394 248 G HA2 -0.138 3.819 3.960 -0.005 0.000 0.214 248 G HA3 -0.138 3.819 3.960 -0.005 0.000 0.214 248 G C 1.705 176.100 174.900 -0.841 0.000 1.176 248 G CA 0.674 45.167 45.100 -1.012 0.000 0.786 248 G HN 0.163 nan 8.290 nan 0.000 0.533 249 V N 0.962 120.706 119.914 -0.284 0.000 2.252 249 V HA -0.212 3.905 4.120 -0.005 0.000 0.249 249 V C 2.739 178.845 176.094 0.021 0.000 1.056 249 V CA 1.894 64.207 62.300 0.022 0.000 1.022 249 V CB -0.619 31.290 31.823 0.143 0.000 0.641 249 V HN 0.342 nan 8.190 nan 0.000 0.445 250 L N 0.731 121.954 121.223 0.000 0.000 2.012 250 L HA -0.136 4.201 4.340 -0.005 0.000 0.210 250 L C 2.498 179.416 176.870 0.081 0.000 1.073 250 L CA 2.398 57.275 54.840 0.062 0.000 0.748 250 L CB -1.064 41.054 42.059 0.098 0.000 0.891 250 L HN 0.246 nan 8.230 nan 0.000 0.431 251 A N -0.537 122.288 122.820 0.008 0.000 1.917 251 A HA -0.239 4.078 4.320 -0.005 0.000 0.219 251 A C 2.273 179.887 177.584 0.050 0.000 1.182 251 A CA 2.335 54.392 52.037 0.032 0.000 0.633 251 A CB -1.014 17.899 19.000 -0.144 0.000 0.819 251 A HN 0.532 nan 8.150 nan 0.000 0.448 252 L N -0.955 120.208 121.223 -0.100 0.000 2.093 252 L HA -0.113 4.224 4.340 -0.005 0.000 0.208 252 L C 2.439 179.343 176.870 0.057 0.000 1.085 252 L CA 0.798 55.585 54.840 -0.089 0.000 0.755 252 L CB -0.444 41.361 42.059 -0.423 0.000 0.904 252 L HN 0.358 nan 8.230 nan 0.000 0.435 253 L N -0.499 120.805 121.223 0.135 0.000 2.201 253 L HA -0.122 4.215 4.340 -0.005 0.000 0.212 253 L C 2.401 179.326 176.870 0.092 0.000 1.105 253 L CA 1.570 56.499 54.840 0.148 0.000 0.775 253 L CB -0.670 41.473 42.059 0.141 0.000 0.913 253 L HN 0.432 nan 8.230 nan 0.000 0.440 254 T N -5.444 109.172 114.554 0.103 0.000 3.086 254 T HA 0.048 4.395 4.350 -0.005 0.000 0.250 254 T C 0.237 174.818 174.700 -0.199 0.000 1.074 254 T CA -0.084 62.016 62.100 0.001 0.000 0.988 254 T CB -0.168 68.717 68.868 0.028 0.000 0.988 254 T HN 0.227 nan 8.240 nan 0.000 0.530 255 H N 0.991 120.054 119.070 -0.013 0.000 2.448 255 H HA 0.385 4.935 4.556 -0.010 0.000 0.237 255 H C -2.233 173.073 175.328 -0.037 0.000 1.391 255 H CA -1.996 54.029 56.048 -0.038 0.000 1.477 255 H CB 1.239 30.947 29.762 -0.090 0.000 1.520 255 H HN 0.050 nan 8.280 nan 0.000 0.502 256 P HA -0.260 nan 4.420 nan 0.000 0.216 256 P C 1.491 178.803 177.300 0.021 0.000 1.154 256 P CA 1.709 64.827 63.100 0.029 0.000 0.865 256 P CB 0.410 32.118 31.700 0.013 0.000 0.789 257 D N -0.993 119.421 120.400 0.023 0.000 2.117 257 D HA -0.209 4.428 4.640 -0.005 0.000 0.197 257 D C 1.641 177.936 176.300 -0.009 0.000 0.987 257 D CA 1.379 55.383 54.000 0.007 0.000 0.829 257 D CB -0.895 39.910 40.800 0.009 0.000 0.961 257 D HN 0.175 nan 8.370 nan 0.000 0.460 258 Q N 0.173 119.969 119.800 -0.006 0.000 2.137 258 Q HA -0.011 4.326 4.340 -0.005 0.000 0.198 258 Q C 2.365 178.324 176.000 -0.067 0.000 0.960 258 Q CA 0.425 56.197 55.803 -0.053 0.000 0.847 258 Q CB -0.329 28.357 28.738 -0.087 0.000 0.915 258 Q HN 0.409 nan 8.270 nan 0.000 0.448 259 R N 1.348 121.811 120.500 -0.062 0.000 2.091 259 R HA -0.144 4.193 4.340 -0.005 0.000 0.238 259 R C 2.136 178.400 176.300 -0.060 0.000 1.136 259 R CA 1.547 57.580 56.100 -0.111 0.000 0.959 259 R CB -0.008 30.255 30.300 -0.061 0.000 0.856 259 R HN 0.109 nan 8.270 nan 0.000 0.437 260 K N 0.525 120.911 120.400 -0.024 0.000 2.057 260 K HA -0.110 4.207 4.320 -0.005 0.000 0.207 260 K C 2.276 178.863 176.600 -0.021 0.000 1.049 260 K CA 1.191 57.471 56.287 -0.011 0.000 0.931 260 K CB -0.112 32.387 32.500 -0.002 0.000 0.714 260 K HN 0.177 nan 8.250 nan 0.000 0.440 261 L N 0.906 122.108 121.223 -0.035 0.000 2.042 261 L HA -0.232 4.105 4.340 -0.005 0.000 0.210 261 L C 2.548 179.391 176.870 -0.044 0.000 1.076 261 L CA 0.766 55.581 54.840 -0.041 0.000 0.749 261 L CB -0.548 41.478 42.059 -0.054 0.000 0.893 261 L HN 0.263 nan 8.230 nan 0.000 0.432 262 L N 0.206 121.393 121.223 -0.060 0.000 2.017 262 L HA -0.141 4.196 4.340 -0.005 0.000 0.208 262 L C 2.682 179.537 176.870 -0.024 0.000 1.073 262 L CA 1.965 56.770 54.840 -0.058 0.000 0.745 262 L CB -0.701 41.299 42.059 -0.100 0.000 0.894 262 L HN 0.149 nan 8.230 nan 0.000 0.432 263 A N -0.780 122.032 122.820 -0.014 0.000 1.917 263 A HA -0.262 4.055 4.320 -0.005 0.000 0.219 263 A C 2.172 179.764 177.584 0.014 0.000 1.182 263 A CA 2.144 54.193 52.037 0.020 0.000 0.633 263 A CB -0.632 18.388 19.000 0.034 0.000 0.819 263 A HN 0.654 nan 8.150 nan 0.000 0.448 264 E N -1.389 118.812 120.200 0.001 0.000 2.299 264 E HA -0.035 4.311 4.350 -0.005 0.000 0.193 264 E C -0.270 176.329 176.600 -0.003 0.000 0.998 264 E CA 0.644 57.044 56.400 -0.000 0.000 0.851 264 E CB 0.237 29.934 29.700 -0.005 0.000 0.795 264 E HN 0.467 nan 8.360 nan 0.000 0.492 265 D N -0.496 119.898 120.400 -0.009 0.000 2.363 265 D HA 0.127 4.764 4.640 -0.005 0.000 0.258 265 D C -2.278 174.017 176.300 -0.008 0.000 1.259 265 D CA -2.278 51.717 54.000 -0.009 0.000 0.921 265 D CB 1.138 41.927 40.800 -0.017 0.000 1.201 265 D HN -0.237 nan 8.370 nan 0.000 0.524 266 P HA -0.112 nan 4.420 nan 0.000 0.223 266 P C 1.244 178.550 177.300 0.010 0.000 1.144 266 P CA 0.812 63.922 63.100 0.015 0.000 0.783 266 P CB 0.179 31.898 31.700 0.031 0.000 0.771 267 S N -1.383 114.319 115.700 0.002 0.000 2.561 267 S HA -0.009 4.458 4.470 -0.005 0.000 0.225 267 S C 1.614 176.205 174.600 -0.016 0.000 0.977 267 S CA 0.356 58.556 58.200 -0.001 0.000 0.926 267 S CB -1.356 61.844 63.200 0.000 0.000 0.769 267 S HN 0.112 nan 8.310 nan 0.000 0.533 268 L N 0.426 121.631 121.223 -0.030 0.000 2.551 268 L HA 0.132 4.469 4.340 -0.005 0.000 0.228 268 L C 2.175 178.999 176.870 -0.076 0.000 1.153 268 L CA 0.191 54.996 54.840 -0.058 0.000 0.851 268 L CB -0.456 41.559 42.059 -0.073 0.000 0.959 268 L HN 0.337 nan 8.230 nan 0.000 0.451 269 I N -0.169 120.377 120.570 -0.040 0.000 2.208 269 I HA -0.334 3.833 4.170 -0.005 0.000 0.245 269 I C 2.637 178.725 176.117 -0.048 0.000 1.097 269 I CA 2.001 63.285 61.300 -0.027 0.000 1.363 269 I CB -0.071 37.951 38.000 0.036 0.000 1.051 269 I HN 0.330 nan 8.210 nan 0.000 0.413 270 S N -1.365 114.318 115.700 -0.027 0.000 2.383 270 S HA -0.175 4.292 4.470 -0.005 0.000 0.227 270 S C 2.184 176.745 174.600 -0.064 0.000 1.026 270 S CA 1.247 59.435 58.200 -0.019 0.000 0.981 270 S CB -1.036 62.173 63.200 0.014 0.000 0.818 270 S HN 0.530 nan 8.310 nan 0.000 0.472 271 S N 2.021 117.667 115.700 -0.090 0.000 2.383 271 S HA 0.039 4.506 4.470 -0.005 0.000 0.227 271 S C 2.114 176.561 174.600 -0.255 0.000 1.026 271 S CA 1.090 59.215 58.200 -0.125 0.000 0.981 271 S CB -0.870 62.268 63.200 -0.103 0.000 0.818 271 S HN 0.728 nan 8.310 nan 0.000 0.472 272 A N 0.998 123.609 122.820 -0.349 0.000 1.883 272 A HA -0.029 4.288 4.320 -0.005 0.000 0.217 272 A C 2.350 179.267 177.584 -1.111 0.000 1.186 272 A CA 1.882 53.481 52.037 -0.730 0.000 0.624 272 A CB -1.234 17.420 19.000 -0.575 0.000 0.822 272 A HN 0.447 nan 8.150 nan 0.000 0.444 273 V N 0.415 120.009 119.914 -0.533 0.000 2.282 273 V HA -0.267 3.849 4.120 -0.005 0.000 0.249 273 V C 2.627 178.566 176.094 -0.259 0.000 1.057 273 V CA 2.311 64.475 62.300 -0.225 0.000 1.032 273 V CB -0.763 31.069 31.823 0.013 0.000 0.645 273 V HN 0.530 nan 8.190 nan 0.000 0.447 274 E N -0.196 119.865 120.200 -0.232 0.000 2.077 274 E HA -0.248 4.099 4.350 -0.005 0.000 0.193 274 E C 2.198 178.634 176.600 -0.273 0.000 0.989 274 E CA 1.555 57.828 56.400 -0.212 0.000 0.800 274 E CB -0.247 29.438 29.700 -0.024 0.000 0.746 274 E HN 0.713 nan 8.360 nan 0.000 0.452 275 E N 0.217 120.231 120.200 -0.309 0.000 2.072 275 E HA -0.105 4.242 4.350 -0.005 0.000 0.191 275 E C 1.935 178.452 176.600 -0.138 0.000 0.985 275 E CA 0.942 57.191 56.400 -0.251 0.000 0.801 275 E CB -0.405 29.091 29.700 -0.339 0.000 0.750 275 E HN 0.295 nan 8.360 nan 0.000 0.452 276 F N 0.169 120.056 119.950 -0.106 0.000 2.134 276 F HA -0.149 4.374 4.527 -0.007 0.000 0.299 276 F C 2.151 177.895 175.800 -0.093 0.000 1.097 276 F CA 0.433 58.402 58.000 -0.051 0.000 1.264 276 F CB -0.287 38.685 39.000 -0.047 0.000 1.001 276 F HN 0.015 nan 8.300 nan 0.000 0.479 277 L N -0.066 121.055 121.223 -0.171 0.000 2.042 277 L HA -0.227 4.110 4.340 -0.005 0.000 0.210 277 L C 2.699 179.379 176.870 -0.317 0.000 1.076 277 L CA 1.306 55.831 54.840 -0.526 0.000 0.749 277 L CB -0.581 40.612 42.059 -1.443 0.000 0.893 277 L HN 0.097 nan 8.230 nan 0.000 0.432 278 R N -0.286 120.119 120.500 -0.159 0.000 2.062 278 R HA -0.201 4.136 4.340 -0.005 0.000 0.231 278 R C 2.429 178.886 176.300 0.261 0.000 1.136 278 R CA 1.765 58.029 56.100 0.273 0.000 0.948 278 R CB -0.384 30.128 30.300 0.353 0.000 0.845 278 R HN 0.222 nan 8.270 nan 0.000 0.430 279 F N 0.723 120.710 119.950 0.062 0.000 2.186 279 F HA -0.104 4.419 4.527 -0.007 0.000 0.299 279 F C 0.280 176.098 175.800 0.030 0.000 1.090 279 F CA 1.335 59.349 58.000 0.024 0.000 1.307 279 F CB 0.256 39.257 39.000 0.001 0.000 1.019 279 F HN -0.011 nan 8.300 nan 0.000 0.489 280 D N 0.033 120.536 120.400 0.172 0.000 2.846 280 D HA 0.146 4.783 4.640 -0.005 0.000 0.279 280 D C -0.921 175.488 176.300 0.182 0.000 1.222 280 D CA -0.080 54.019 54.000 0.165 0.000 0.769 280 D CB 0.433 41.367 40.800 0.224 0.000 1.299 280 D HN -0.144 nan 8.370 nan 0.000 0.537 281 S N 2.030 117.832 115.700 0.171 0.000 2.596 281 S HA 0.041 4.508 4.470 -0.005 0.000 0.298 281 S C -1.394 173.282 174.600 0.126 0.000 1.255 281 S CA -0.590 57.690 58.200 0.133 0.000 1.083 281 S CB 1.148 64.443 63.200 0.159 0.000 0.837 281 S HN 0.355 nan 8.310 nan 0.000 0.499 282 P HA -0.039 nan 4.420 nan 0.000 0.216 282 P C -0.037 177.340 177.300 0.129 0.000 1.153 282 P CA 0.668 63.837 63.100 0.115 0.000 0.848 282 P CB 0.145 31.899 31.700 0.089 0.000 0.787 283 V N 0.900 120.885 119.914 0.117 0.000 2.334 283 V HA 0.074 4.191 4.120 -0.005 0.000 0.267 283 V C 1.504 177.678 176.094 0.133 0.000 1.040 283 V CA 0.367 62.744 62.300 0.130 0.000 0.866 283 V CB 0.534 32.429 31.823 0.120 0.000 1.019 283 V HN 0.148 nan 8.190 nan 0.000 0.468 284 S N 3.995 119.791 115.700 0.160 0.000 2.388 284 S HA 0.088 4.555 4.470 -0.005 0.000 0.223 284 S C 0.606 175.287 174.600 0.134 0.000 1.034 284 S CA -0.000 58.297 58.200 0.163 0.000 0.963 284 S CB 0.064 63.412 63.200 0.246 0.000 0.827 284 S HN 0.658 nan 8.310 nan 0.000 0.481 285 Q N 0.739 120.643 119.800 0.174 0.000 2.340 285 Q HA 0.774 5.111 4.340 -0.005 0.000 0.268 285 Q C -0.717 175.338 176.000 0.092 0.000 1.031 285 Q CA -0.166 55.710 55.803 0.122 0.000 0.804 285 Q CB 1.853 30.689 28.738 0.163 0.000 1.286 285 Q HN 0.488 nan 8.270 nan 0.000 0.448 286 A N 3.716 126.571 122.820 0.058 0.000 2.483 286 A HA 0.420 4.737 4.320 -0.005 0.000 0.238 286 A C -2.010 175.573 177.584 -0.001 0.000 1.070 286 A CA -0.809 51.265 52.037 0.062 0.000 0.770 286 A CB -0.584 18.464 19.000 0.080 0.000 1.008 286 A HN 0.520 nan 8.150 nan 0.000 0.497 287 P HA 0.073 nan 4.420 nan 0.000 0.267 287 P C -0.153 177.075 177.300 -0.120 0.000 1.201 287 P CA 0.137 63.213 63.100 -0.040 0.000 0.775 287 P CB 0.287 31.972 31.700 -0.026 0.000 0.854 288 I N 1.962 122.431 120.570 -0.167 0.000 2.752 288 I HA -0.026 4.141 4.170 -0.005 0.000 0.287 288 I C 1.506 177.350 176.117 -0.455 0.000 1.188 288 I CA 0.661 61.768 61.300 -0.322 0.000 1.427 288 I CB 0.234 38.022 38.000 -0.352 0.000 1.365 288 I HN 0.245 nan 8.210 nan 0.000 0.585 289 R N 4.748 124.951 120.500 -0.496 0.000 2.828 289 R HA 0.659 4.995 4.340 -0.005 0.000 0.264 289 R C -1.527 174.406 176.300 -0.613 0.000 1.022 289 R CA -0.664 55.184 56.100 -0.420 0.000 1.021 289 R CB 1.456 31.607 30.300 -0.249 0.000 1.163 289 R HN 0.298 nan 8.270 nan 0.000 0.494 290 F N -0.350 119.600 119.950 -0.001 0.000 2.529 290 F HA 0.245 4.769 4.527 -0.004 0.000 0.320 290 F C 0.237 176.006 175.800 -0.052 0.000 1.118 290 F CA -0.966 57.050 58.000 0.027 0.000 0.915 290 F CB 2.161 41.240 39.000 0.132 0.000 1.161 290 F HN 0.400 nan 8.300 nan 0.000 0.445 291 T N -0.313 114.285 114.554 0.073 0.000 2.752 291 T HA 0.423 4.770 4.350 -0.005 0.000 0.295 291 T C 0.904 175.551 174.700 -0.088 0.000 0.923 291 T CA -0.259 61.813 62.100 -0.046 0.000 1.112 291 T CB 1.349 70.162 68.868 -0.091 0.000 0.884 291 T HN 0.765 nan 8.240 nan 0.000 0.525 292 A N 3.401 126.048 122.820 -0.287 0.000 2.016 292 A HA 0.167 4.484 4.320 -0.005 0.000 0.217 292 A C 0.956 178.444 177.584 -0.159 0.000 1.162 292 A CA 0.396 52.130 52.037 -0.506 0.000 0.662 292 A CB -0.194 18.342 19.000 -0.773 0.000 0.812 292 A HN 0.944 nan 8.150 nan 0.000 0.450 293 E N -0.877 119.255 120.200 -0.113 0.000 2.458 293 E HA 0.385 4.732 4.350 -0.005 0.000 0.278 293 E C -1.819 174.738 176.600 -0.072 0.000 1.004 293 E CA -1.245 55.116 56.400 -0.065 0.000 0.823 293 E CB 0.294 29.962 29.700 -0.054 0.000 1.396 293 E HN -0.028 nan 8.360 nan 0.000 0.463 294 D N 1.140 121.501 120.400 -0.065 0.000 2.488 294 D HA 0.234 4.871 4.640 -0.005 0.000 0.238 294 D C -0.348 175.897 176.300 -0.092 0.000 1.138 294 D CA 0.199 54.148 54.000 -0.086 0.000 0.873 294 D CB 1.085 41.842 40.800 -0.070 0.000 1.183 294 D HN 0.370 nan 8.370 nan 0.000 0.458 295 V N -0.475 119.373 119.914 -0.109 0.000 2.823 295 V HA 0.785 4.902 4.120 -0.005 0.000 0.312 295 V C -0.268 175.763 176.094 -0.105 0.000 1.072 295 V CA -0.666 61.583 62.300 -0.085 0.000 0.937 295 V CB 2.351 34.196 31.823 0.036 0.000 1.013 295 V HN 0.406 nan 8.190 nan 0.000 0.430 296 T N 3.978 118.417 114.554 -0.192 0.000 2.809 296 T HA 0.709 5.055 4.350 -0.005 0.000 0.284 296 T C -1.452 173.034 174.700 -0.358 0.000 0.992 296 T CA -0.030 61.960 62.100 -0.184 0.000 0.957 296 T CB 0.803 69.579 68.868 -0.155 0.000 0.942 296 T HN 0.694 nan 8.240 nan 0.000 0.439 297 Y N 0.727 120.983 120.300 -0.073 0.000 2.406 297 Y HA 0.370 4.917 4.550 -0.005 0.000 0.340 297 Y C 0.923 176.812 175.900 -0.019 0.000 0.975 297 Y CA -0.885 57.186 58.100 -0.048 0.000 1.056 297 Y CB 2.010 40.433 38.460 -0.062 0.000 1.210 297 Y HN 0.770 nan 8.280 nan 0.000 0.448 298 S N 2.202 117.969 115.700 0.111 0.000 3.549 298 S HA -0.210 4.257 4.470 -0.005 0.000 0.366 298 S C 1.213 175.849 174.600 0.061 0.000 1.012 298 S CA 1.290 59.541 58.200 0.085 0.000 1.141 298 S CB -1.535 61.728 63.200 0.106 0.000 0.910 298 S HN 1.732 nan 8.310 nan 0.000 0.471 299 G N -2.000 106.817 108.800 0.028 0.000 2.159 299 G HA2 -0.262 3.695 3.960 -0.005 0.000 0.256 299 G HA3 -0.262 3.695 3.960 -0.005 0.000 0.256 299 G C 0.033 174.952 174.900 0.031 0.000 0.977 299 G CA 0.057 45.169 45.100 0.021 0.000 0.652 299 G HN 1.269 nan 8.290 nan 0.000 0.531 300 V N 1.088 121.028 119.914 0.043 0.000 2.448 300 V HA 0.640 4.757 4.120 -0.005 0.000 0.295 300 V C 0.306 176.394 176.094 -0.010 0.000 1.025 300 V CA -0.271 62.063 62.300 0.057 0.000 0.859 300 V CB 1.899 33.799 31.823 0.129 0.000 0.988 300 V HN 0.238 nan 8.190 nan 0.000 0.431 301 T N 6.388 120.916 114.554 -0.043 0.000 2.744 301 T HA 0.572 4.919 4.350 -0.005 0.000 0.291 301 T C -0.059 174.479 174.700 -0.271 0.000 0.957 301 T CA -0.057 61.973 62.100 -0.117 0.000 1.002 301 T CB 0.481 69.306 68.868 -0.071 0.000 0.919 301 T HN 0.388 nan 8.240 nan 0.000 0.468 302 I N 6.223 126.524 120.570 -0.449 0.000 2.304 302 I HA 0.274 4.441 4.170 -0.005 0.000 0.291 302 I C -2.083 173.794 176.117 -0.400 0.000 1.018 302 I CA -2.577 58.230 61.300 -0.821 0.000 1.260 302 I CB 1.144 38.501 38.000 -1.073 0.000 1.390 302 I HN 0.291 nan 8.210 nan 0.000 0.475 303 P HA 0.014 nan 4.420 nan 0.000 0.269 303 P C -0.281 176.968 177.300 -0.085 0.000 1.217 303 P CA -0.293 62.749 63.100 -0.097 0.000 0.783 303 P CB 0.497 32.196 31.700 -0.001 0.000 0.898 304 A N 1.605 124.400 122.820 -0.042 0.000 2.561 304 A HA 0.385 4.702 4.320 -0.005 0.000 0.234 304 A C 1.451 179.055 177.584 0.034 0.000 1.055 304 A CA 0.901 52.931 52.037 -0.012 0.000 0.756 304 A CB -1.501 17.501 19.000 0.004 0.000 0.986 304 A HN 0.901 nan 8.150 nan 0.000 0.505 305 G N 0.762 109.607 108.800 0.074 0.000 2.157 305 G HA2 -0.142 3.815 3.960 -0.005 0.000 0.239 305 G HA3 -0.142 3.815 3.960 -0.005 0.000 0.239 305 G C -0.067 174.933 174.900 0.167 0.000 0.982 305 G CA 0.290 45.465 45.100 0.126 0.000 0.650 305 G HN 0.796 nan 8.290 nan 0.000 0.527 306 E N 0.033 120.317 120.200 0.140 0.000 2.248 306 E HA 0.634 4.981 4.350 -0.005 0.000 0.272 306 E C 0.648 177.346 176.600 0.162 0.000 1.008 306 E CA -0.545 55.958 56.400 0.172 0.000 0.856 306 E CB 0.924 30.686 29.700 0.103 0.000 1.120 306 E HN 0.394 nan 8.360 nan 0.000 0.397 307 M N 1.259 120.960 119.600 0.167 0.000 2.233 307 M HA 0.347 4.824 4.480 -0.005 0.000 0.355 307 M C -0.622 175.672 176.300 -0.009 0.000 1.191 307 M CA -0.751 54.530 55.300 -0.031 0.000 1.101 307 M CB 1.321 33.911 32.600 -0.016 0.000 1.592 307 M HN 0.033 nan 8.290 nan 0.000 0.461 308 V N 4.369 124.177 119.914 -0.176 0.000 2.524 308 V HA 0.429 4.546 4.120 -0.005 0.000 0.297 308 V C -0.417 175.567 176.094 -0.184 0.000 1.035 308 V CA -0.619 61.609 62.300 -0.121 0.000 0.867 308 V CB 1.857 33.573 31.823 -0.178 0.000 1.004 308 V HN 0.898 nan 8.190 nan 0.000 0.426 309 M N 5.309 124.837 119.600 -0.121 0.000 2.188 309 M HA 0.545 5.022 4.480 -0.005 0.000 0.357 309 M C -0.812 175.397 176.300 -0.152 0.000 1.204 309 M CA -0.347 54.877 55.300 -0.127 0.000 1.095 309 M CB 1.422 33.981 32.600 -0.068 0.000 1.604 309 M HN 0.424 nan 8.290 nan 0.000 0.464 310 L N 2.476 123.570 121.223 -0.215 0.000 2.264 310 L HA 0.427 4.764 4.340 -0.005 0.000 0.289 310 L C 0.782 177.571 176.870 -0.136 0.000 1.044 310 L CA -0.613 54.064 54.840 -0.270 0.000 0.807 310 L CB 0.974 42.701 42.059 -0.554 0.000 1.192 310 L HN 0.831 nan 8.230 nan 0.000 0.425 311 G N 4.205 112.934 108.800 -0.118 0.000 2.639 311 G HA2 0.356 4.312 3.960 -0.005 0.000 0.312 311 G HA3 0.356 4.312 3.960 -0.005 0.000 0.312 311 G C 0.864 175.680 174.900 -0.140 0.000 0.911 311 G CA -0.422 44.605 45.100 -0.121 0.000 1.410 311 G HN 0.659 nan 8.290 nan 0.000 0.469 312 L N 2.196 123.379 121.223 -0.066 0.000 2.072 312 L HA -0.056 4.281 4.340 -0.005 0.000 0.205 312 L C 3.121 179.974 176.870 -0.027 0.000 1.079 312 L CA 1.257 56.093 54.840 -0.007 0.000 0.752 312 L CB -0.419 41.685 42.059 0.076 0.000 0.906 312 L HN 0.507 nan 8.230 nan 0.000 0.436 313 A N 0.436 123.196 122.820 -0.100 0.000 1.933 313 A HA -0.137 4.180 4.320 -0.005 0.000 0.218 313 A C 2.556 180.037 177.584 -0.172 0.000 1.175 313 A CA 1.792 53.787 52.037 -0.071 0.000 0.628 313 A CB -0.638 18.348 19.000 -0.023 0.000 0.814 313 A HN 0.395 nan 8.150 nan 0.000 0.444 314 A N -0.123 122.361 122.820 -0.560 0.000 1.855 314 A HA 0.196 4.512 4.320 -0.005 0.000 0.215 314 A C 2.525 180.084 177.584 -0.042 0.000 1.191 314 A CA 2.046 53.862 52.037 -0.368 0.000 0.613 314 A CB -1.106 17.592 19.000 -0.505 0.000 0.829 314 A HN 1.079 nan 8.150 nan 0.000 0.442 315 A N 0.047 122.852 122.820 -0.026 0.000 1.972 315 A HA -0.167 4.150 4.320 -0.005 0.000 0.219 315 A C 1.759 179.497 177.584 0.256 0.000 1.169 315 A CA 1.656 53.758 52.037 0.109 0.000 0.635 315 A CB -0.595 18.410 19.000 0.008 0.000 0.810 315 A HN 0.526 nan 8.150 nan 0.000 0.446 316 N N -0.342 118.490 118.700 0.222 0.000 2.550 316 N HA -0.028 4.709 4.740 -0.005 0.000 0.186 316 N C 0.875 176.643 175.510 0.430 0.000 1.110 316 N CA 0.551 53.832 53.050 0.385 0.000 0.912 316 N CB -0.092 38.616 38.487 0.368 0.000 0.968 316 N HN 0.490 nan 8.380 nan 0.000 0.448 317 R N 0.247 120.909 120.500 0.269 0.000 2.652 317 R HA 0.111 4.448 4.340 -0.005 0.000 0.372 317 R C -0.532 175.875 176.300 0.180 0.000 1.104 317 R CA -0.303 55.908 56.100 0.185 0.000 1.072 317 R CB 0.442 30.796 30.300 0.091 0.000 1.367 317 R HN 0.006 nan 8.270 nan 0.000 0.577 318 D N 0.656 121.212 120.400 0.259 0.000 2.325 318 D HA 0.112 4.749 4.640 -0.005 0.000 0.251 318 D C 0.883 177.287 176.300 0.174 0.000 1.196 318 D CA -0.042 54.090 54.000 0.220 0.000 0.866 318 D CB 1.530 42.499 40.800 0.282 0.000 1.101 318 D HN 0.203 nan 8.370 nan 0.000 0.476 319 A N 4.186 127.066 122.820 0.101 0.000 2.121 319 A HA -0.138 4.179 4.320 -0.005 0.000 0.218 319 A C 1.587 179.196 177.584 0.041 0.000 1.154 319 A CA 0.809 52.871 52.037 0.042 0.000 0.679 319 A CB 0.015 19.034 19.000 0.032 0.000 0.795 319 A HN 0.550 nan 8.150 nan 0.000 0.458 320 D N -1.755 118.701 120.400 0.093 0.000 2.219 320 D HA -0.121 4.515 4.640 -0.005 0.000 0.205 320 D C 1.448 177.819 176.300 0.118 0.000 0.970 320 D CA 1.010 55.069 54.000 0.099 0.000 0.851 320 D CB -0.147 40.728 40.800 0.125 0.000 0.943 320 D HN 0.837 nan 8.370 nan 0.000 0.488 321 W N 0.246 121.484 121.300 -0.103 0.000 2.644 321 W HA 0.228 4.890 4.660 0.003 0.000 0.279 321 W C 0.088 176.480 176.519 -0.211 0.000 1.164 321 W CA -0.029 57.166 57.345 -0.250 0.000 1.457 321 W CB 0.255 29.320 29.460 -0.658 0.000 1.087 321 W HN -0.286 nan 8.180 nan 0.000 0.573 322 M N 2.612 121.923 119.600 -0.481 0.000 2.125 322 M HA 0.456 4.933 4.480 -0.005 0.000 0.321 322 M C -2.763 173.363 176.300 -0.290 0.000 0.983 322 M CA -3.062 51.837 55.300 -0.668 0.000 0.934 322 M CB 1.383 33.544 32.600 -0.731 0.000 1.542 322 M HN -0.305 nan 8.290 nan 0.000 0.424 323 P HA 0.131 nan 4.420 nan 0.000 0.271 323 P C -0.981 176.255 177.300 -0.107 0.000 1.216 323 P CA 0.331 63.348 63.100 -0.139 0.000 0.776 323 P CB 0.218 31.841 31.700 -0.127 0.000 0.881 324 E N 1.802 121.968 120.200 -0.057 0.000 2.222 324 E HA -0.183 4.164 4.350 -0.005 0.000 0.189 324 E C -1.412 175.179 176.600 -0.015 0.000 1.415 324 E CA -0.119 56.265 56.400 -0.027 0.000 0.689 324 E CB -0.956 28.728 29.700 -0.027 0.000 1.107 324 E HN 0.515 nan 8.360 nan 0.000 0.350 325 P HA -0.119 nan 4.420 nan 0.000 0.223 325 P C 0.578 177.923 177.300 0.076 0.000 1.151 325 P CA 0.903 64.015 63.100 0.020 0.000 0.787 325 P CB 0.310 32.032 31.700 0.038 0.000 0.788 326 D N -0.830 119.615 120.400 0.074 0.000 2.349 326 D HA 0.009 4.646 4.640 -0.005 0.000 0.215 326 D C 1.009 177.471 176.300 0.270 0.000 1.016 326 D CA 0.332 54.401 54.000 0.115 0.000 0.870 326 D CB -0.180 40.655 40.800 0.058 0.000 0.917 326 D HN 0.170 nan 8.370 nan 0.000 0.524 327 R N 1.302 121.903 120.500 0.168 0.000 2.308 327 R HA 0.229 4.566 4.340 -0.005 0.000 0.305 327 R C -0.420 175.874 176.300 -0.010 0.000 1.053 327 R CA -0.465 55.692 56.100 0.095 0.000 0.957 327 R CB 0.637 30.950 30.300 0.021 0.000 1.022 327 R HN 0.004 nan 8.270 nan 0.000 0.461 328 L N 4.788 125.841 121.223 -0.283 0.000 2.325 328 L HA 0.205 4.542 4.340 -0.005 0.000 0.284 328 L C -1.033 175.624 176.870 -0.354 0.000 1.089 328 L CA 0.276 54.719 54.840 -0.661 0.000 0.836 328 L CB 0.865 42.092 42.059 -1.387 0.000 1.184 328 L HN 0.732 nan 8.230 nan 0.000 0.444 329 D N 5.106 125.346 120.400 -0.266 0.000 2.375 329 D HA 0.130 4.767 4.640 -0.005 0.000 0.259 329 D C 1.115 177.288 176.300 -0.211 0.000 1.235 329 D CA -0.482 53.402 54.000 -0.194 0.000 0.924 329 D CB 0.822 41.542 40.800 -0.134 0.000 1.143 329 D HN 0.581 nan 8.370 nan 0.000 0.529 330 I N 0.945 121.371 120.570 -0.239 0.000 2.850 330 I HA -0.085 4.082 4.170 -0.005 0.000 0.266 330 I C 1.260 177.260 176.117 -0.195 0.000 1.257 330 I CA 1.301 62.438 61.300 -0.272 0.000 1.465 330 I CB -0.327 37.492 38.000 -0.300 0.000 1.091 330 I HN 0.241 nan 8.210 nan 0.000 0.467 331 T N -1.846 112.621 114.554 -0.145 0.000 3.081 331 T HA 0.218 4.565 4.350 -0.005 0.000 0.250 331 T C 0.995 175.638 174.700 -0.095 0.000 1.100 331 T CA -0.394 61.642 62.100 -0.108 0.000 1.038 331 T CB -0.269 68.548 68.868 -0.084 0.000 0.962 331 T HN 0.357 nan 8.240 nan 0.000 0.516 332 R N 2.221 122.656 120.500 -0.108 0.000 2.585 332 R HA 0.125 4.462 4.340 -0.005 0.000 0.275 332 R C -0.905 175.352 176.300 -0.071 0.000 1.018 332 R CA -0.142 55.901 56.100 -0.095 0.000 1.072 332 R CB 0.099 30.334 30.300 -0.109 0.000 0.953 332 R HN 0.299 nan 8.270 nan 0.000 0.419 333 D N 1.966 122.332 120.400 -0.056 0.000 2.352 333 D HA 0.154 4.791 4.640 -0.005 0.000 0.245 333 D C -0.119 176.174 176.300 -0.010 0.000 1.224 333 D CA 0.177 54.160 54.000 -0.029 0.000 0.879 333 D CB 1.005 41.791 40.800 -0.024 0.000 1.057 333 D HN 0.494 nan 8.370 nan 0.000 0.491 334 A N 2.597 125.431 122.820 0.023 0.000 2.425 334 A HA 0.593 4.910 4.320 -0.005 0.000 0.249 334 A C 0.304 177.966 177.584 0.129 0.000 1.084 334 A CA -0.264 51.824 52.037 0.086 0.000 0.781 334 A CB 0.341 19.420 19.000 0.130 0.000 1.019 334 A HN 0.552 nan 8.150 nan 0.000 0.490 335 S N 0.400 116.214 115.700 0.191 0.000 2.552 335 S HA 0.769 5.236 4.470 -0.005 0.000 0.272 335 S C 0.140 174.945 174.600 0.343 0.000 1.150 335 S CA 0.204 58.532 58.200 0.213 0.000 0.849 335 S CB 0.732 64.016 63.200 0.140 0.000 1.113 335 S HN 2.762 nan 8.310 nan 0.000 0.458 336 G N 0.797 109.746 108.800 0.248 0.000 2.512 336 G HA2 0.388 4.344 3.960 -0.005 0.000 0.254 336 G HA3 0.388 4.344 3.960 -0.005 0.000 0.254 336 G C 0.817 175.773 174.900 0.093 0.000 1.199 336 G CA 0.592 45.815 45.100 0.206 0.000 0.941 336 G HN 2.956 nan 8.290 nan 0.000 0.569 337 G N -3.314 105.433 108.800 -0.087 0.000 2.712 337 G HA2 0.400 4.357 3.960 -0.005 0.000 0.686 337 G HA3 0.400 4.357 3.960 -0.005 0.000 0.686 337 G C 0.423 174.952 174.900 -0.619 0.000 1.181 337 G CA 0.843 45.699 45.100 -0.408 0.000 0.762 337 G HN 2.399 nan 8.290 nan 0.000 0.641 338 V N -0.415 119.166 119.914 -0.555 0.000 3.253 338 V HA 0.437 4.554 4.120 -0.005 0.000 0.320 338 V C 1.923 177.832 176.094 -0.309 0.000 1.442 338 V CA 1.186 63.236 62.300 -0.418 0.000 1.097 338 V CB -0.991 30.670 31.823 -0.269 0.000 1.008 338 V HN 1.483 nan 8.190 nan 0.000 0.463 339 F N -0.435 119.475 119.950 -0.067 0.000 2.269 339 F HA 0.213 4.736 4.527 -0.006 0.000 0.301 339 F C 1.544 177.167 175.800 -0.295 0.000 1.082 339 F CA 0.916 58.808 58.000 -0.180 0.000 1.360 339 F CB -1.158 37.689 39.000 -0.256 0.000 1.041 339 F HN 0.197 nan 8.300 nan 0.000 0.512 340 F N 0.816 120.740 119.950 -0.044 0.000 2.641 340 F HA 0.524 5.049 4.527 -0.004 0.000 0.302 340 F C 1.496 177.011 175.800 -0.474 0.000 1.098 340 F CA 0.096 57.931 58.000 -0.276 0.000 1.318 340 F CB 0.094 38.748 39.000 -0.577 0.000 1.035 340 F HN 0.304 nan 8.300 nan 0.000 0.551 341 G N 0.709 109.367 108.800 -0.237 0.000 2.584 341 G HA2 -0.177 3.780 3.960 -0.005 0.000 0.229 341 G HA3 -0.177 3.780 3.960 -0.005 0.000 0.229 341 G C -1.378 173.198 174.900 -0.541 0.000 1.320 341 G CA -0.350 44.359 45.100 -0.651 0.000 0.891 341 G HN 0.551 nan 8.290 nan 0.000 0.573 342 H N -0.964 117.558 119.070 -0.913 0.000 3.121 342 H HA 0.667 5.221 4.556 -0.004 0.000 0.337 342 H C 0.563 175.778 175.328 -0.188 0.000 1.198 342 H CA 1.950 57.753 56.048 -0.408 0.000 1.274 342 H CB 1.037 30.514 29.762 -0.476 0.000 1.954 342 H HN 2.681 nan 8.280 nan 0.000 0.531 343 G N 2.575 111.033 108.800 -0.569 0.000 2.499 343 G HA2 -0.267 3.690 3.960 -0.005 0.000 0.232 343 G HA3 -0.267 3.690 3.960 -0.005 0.000 0.232 343 G C 1.350 176.164 174.900 -0.144 0.000 1.251 343 G CA 0.471 45.328 45.100 -0.405 0.000 0.917 343 G HN 1.337 nan 8.290 nan 0.000 0.580 344 I N -2.415 118.071 120.570 -0.140 0.000 2.493 344 I HA 0.033 4.200 4.170 -0.005 0.000 0.254 344 I C 1.779 177.789 176.117 -0.179 0.000 1.160 344 I CA 2.129 63.331 61.300 -0.164 0.000 1.445 344 I CB -0.313 37.522 38.000 -0.274 0.000 1.086 344 I HN 0.471 nan 8.210 nan 0.000 0.433 345 H N 0.627 119.680 119.070 -0.029 0.000 2.529 345 H HA 0.213 4.766 4.556 -0.005 0.000 0.277 345 H C 0.120 175.477 175.328 0.050 0.000 1.004 345 H CA -0.558 55.501 56.048 0.019 0.000 1.167 345 H CB -0.197 29.553 29.762 -0.020 0.000 1.445 345 H HN 0.353 nan 8.280 nan 0.000 0.554 346 F N 1.999 121.935 119.950 -0.023 0.000 2.635 346 F HA -0.108 4.416 4.527 -0.006 0.000 0.379 346 F C 0.885 176.669 175.800 -0.027 0.000 1.094 346 F CA -0.376 57.585 58.000 -0.066 0.000 1.300 346 F CB 0.397 39.339 39.000 -0.097 0.000 1.035 346 F HN 0.112 nan 8.300 nan 0.000 0.581 347 C N 8.836 127.707 119.300 -0.715 0.000 2.106 347 C HA -0.104 4.353 4.460 -0.005 0.000 0.402 347 C C 1.736 176.491 174.990 -0.392 0.000 1.548 347 C CA 0.009 58.722 59.018 -0.509 0.000 1.432 347 C CB -1.842 25.571 27.740 -0.545 0.000 2.584 347 C HN 1.016 nan 8.230 nan 0.000 0.604 348 L N 6.094 127.164 121.223 -0.255 0.000 2.093 348 L HA 0.184 4.521 4.340 -0.005 0.000 0.208 348 L C 2.114 178.757 176.870 -0.378 0.000 1.085 348 L CA 2.415 57.068 54.840 -0.312 0.000 0.755 348 L CB -0.501 41.302 42.059 -0.426 0.000 0.904 348 L HN 0.837 nan 8.230 nan 0.000 0.435 349 G N -1.840 106.768 108.800 -0.319 0.000 3.518 349 G HA2 0.300 4.257 3.960 -0.005 0.000 0.273 349 G HA3 0.300 4.257 3.960 -0.005 0.000 0.273 349 G C 1.294 176.047 174.900 -0.245 0.000 1.199 349 G CA 0.382 45.372 45.100 -0.184 0.000 0.899 349 G HN 0.539 nan 8.290 nan 0.000 0.533 350 A N 0.372 122.902 122.820 -0.483 0.000 1.877 350 A HA -0.134 4.183 4.320 -0.005 0.000 0.216 350 A C 2.135 179.466 177.584 -0.421 0.000 1.186 350 A CA 1.885 53.329 52.037 -0.987 0.000 0.620 350 A CB -0.391 17.915 19.000 -1.157 0.000 0.822 350 A HN 0.456 nan 8.150 nan 0.000 0.443 351 Q N -0.932 118.774 119.800 -0.156 0.000 2.050 351 Q HA -0.202 4.135 4.340 -0.005 0.000 0.202 351 Q C 2.033 178.046 176.000 0.021 0.000 0.980 351 Q CA 1.814 57.609 55.803 -0.013 0.000 0.840 351 Q CB -0.279 28.481 28.738 0.037 0.000 0.898 351 Q HN 0.502 nan 8.270 nan 0.000 0.424 352 L N 0.859 122.107 121.223 0.040 0.000 1.989 352 L HA -0.166 4.171 4.340 -0.005 0.000 0.211 352 L C 2.311 179.217 176.870 0.061 0.000 1.071 352 L CA 2.457 57.336 54.840 0.064 0.000 0.749 352 L CB -1.132 40.995 42.059 0.115 0.000 0.890 352 L HN 0.298 nan 8.230 nan 0.000 0.431 353 A N -0.564 122.293 122.820 0.062 0.000 1.908 353 A HA -0.265 4.052 4.320 -0.005 0.000 0.218 353 A C 2.419 180.105 177.584 0.169 0.000 1.181 353 A CA 2.073 54.191 52.037 0.135 0.000 0.627 353 A CB -0.598 18.548 19.000 0.244 0.000 0.818 353 A HN 0.530 nan 8.150 nan 0.000 0.445 354 R N -1.268 119.339 120.500 0.178 0.000 2.081 354 R HA -0.114 4.223 4.340 -0.005 0.000 0.235 354 R C 2.159 178.530 176.300 0.118 0.000 1.131 354 R CA 1.459 57.667 56.100 0.180 0.000 0.960 354 R CB -0.549 29.859 30.300 0.180 0.000 0.856 354 R HN 0.512 nan 8.270 nan 0.000 0.436 355 L N 1.567 122.842 121.223 0.087 0.000 1.994 355 L HA -0.148 4.189 4.340 -0.005 0.000 0.208 355 L C 1.720 178.626 176.870 0.061 0.000 1.071 355 L CA 1.844 56.723 54.840 0.066 0.000 0.745 355 L CB -0.417 41.671 42.059 0.048 0.000 0.892 355 L HN 0.117 nan 8.230 nan 0.000 0.431 356 E N -0.430 119.803 120.200 0.055 0.000 2.085 356 E HA -0.202 4.145 4.350 -0.005 0.000 0.194 356 E C 2.058 178.693 176.600 0.057 0.000 0.994 356 E CA 1.125 57.546 56.400 0.035 0.000 0.801 356 E CB -0.616 29.096 29.700 0.019 0.000 0.743 356 E HN 0.706 nan 8.360 nan 0.000 0.453 357 G N 1.981 110.837 108.800 0.094 0.000 2.459 357 G HA2 -0.337 3.619 3.960 -0.005 0.000 0.217 357 G HA3 -0.337 3.619 3.960 -0.005 0.000 0.217 357 G C 1.591 176.579 174.900 0.147 0.000 1.183 357 G CA 1.282 46.458 45.100 0.128 0.000 0.776 357 G HN 0.271 nan 8.290 nan 0.000 0.552 358 R N -0.042 120.535 120.500 0.128 0.000 2.081 358 R HA 0.057 4.394 4.340 -0.005 0.000 0.235 358 R C 2.330 178.701 176.300 0.119 0.000 1.131 358 R CA 1.470 57.643 56.100 0.121 0.000 0.960 358 R CB -0.966 29.386 30.300 0.087 0.000 0.856 358 R HN 0.209 nan 8.270 nan 0.000 0.436 359 V N 1.870 121.842 119.914 0.097 0.000 2.261 359 V HA -0.258 3.859 4.120 -0.005 0.000 0.246 359 V C 2.790 178.962 176.094 0.129 0.000 1.047 359 V CA 2.144 64.499 62.300 0.092 0.000 1.015 359 V CB -0.896 30.962 31.823 0.058 0.000 0.642 359 V HN 0.605 nan 8.190 nan 0.000 0.446 360 A N -0.106 122.785 122.820 0.118 0.000 1.858 360 A HA -0.175 4.142 4.320 -0.005 0.000 0.216 360 A C 2.166 179.952 177.584 0.337 0.000 1.190 360 A CA 2.137 54.276 52.037 0.171 0.000 0.617 360 A CB -0.580 18.431 19.000 0.019 0.000 0.827 360 A HN 0.515 nan 8.150 nan 0.000 0.443 361 I N -0.445 120.293 120.570 0.280 0.000 2.202 361 I HA -0.141 4.026 4.170 -0.005 0.000 0.242 361 I C 2.744 179.068 176.117 0.346 0.000 1.091 361 I CA 1.031 62.533 61.300 0.336 0.000 1.368 361 I CB -0.786 37.390 38.000 0.295 0.000 1.058 361 I HN 0.386 nan 8.210 nan 0.000 0.410 362 G N 0.954 109.901 108.800 0.244 0.000 2.480 362 G HA2 -0.217 3.740 3.960 -0.005 0.000 0.216 362 G HA3 -0.217 3.740 3.960 -0.005 0.000 0.216 362 G C 1.817 176.831 174.900 0.190 0.000 1.200 362 G CA 0.440 45.657 45.100 0.194 0.000 0.782 362 G HN 0.167 nan 8.290 nan 0.000 0.554 363 R N -0.280 120.322 120.500 0.170 0.000 2.096 363 R HA 0.008 4.345 4.340 -0.005 0.000 0.235 363 R C 2.503 178.864 176.300 0.102 0.000 1.127 363 R CA 0.932 57.112 56.100 0.134 0.000 0.968 363 R CB -0.904 29.478 30.300 0.137 0.000 0.861 363 R HN 0.430 nan 8.270 nan 0.000 0.440 364 L N 0.201 121.494 121.223 0.116 0.000 1.989 364 L HA -0.135 4.202 4.340 -0.005 0.000 0.211 364 L C 1.926 178.708 176.870 -0.148 0.000 1.071 364 L CA 1.834 56.611 54.840 -0.105 0.000 0.749 364 L CB -0.722 41.210 42.059 -0.212 0.000 0.890 364 L HN -0.032 nan 8.230 nan 0.000 0.431 365 F N -0.357 119.587 119.950 -0.010 0.000 2.325 365 F HA 0.018 4.544 4.527 -0.002 0.000 0.299 365 F C 2.411 178.209 175.800 -0.003 0.000 1.090 365 F CA 0.985 58.981 58.000 -0.007 0.000 1.392 365 F CB -0.848 38.162 39.000 0.017 0.000 1.053 365 F HN 0.215 nan 8.300 nan 0.000 0.521 366 A N -0.257 122.654 122.820 0.151 0.000 1.873 366 A HA -0.238 4.079 4.320 -0.005 0.000 0.215 366 A C 1.871 179.475 177.584 0.033 0.000 1.186 366 A CA 2.175 54.263 52.037 0.086 0.000 0.616 366 A CB -0.940 18.106 19.000 0.077 0.000 0.823 366 A HN 0.334 nan 8.150 nan 0.000 0.442 367 D N -1.147 119.253 120.400 0.000 0.000 2.123 367 D HA -0.054 4.583 4.640 -0.005 0.000 0.200 367 D C 0.704 176.965 176.300 -0.065 0.000 0.976 367 D CA 0.794 54.774 54.000 -0.033 0.000 0.831 367 D CB 0.140 40.912 40.800 -0.048 0.000 0.974 367 D HN 0.120 nan 8.370 nan 0.000 0.469 368 R N 0.232 120.663 120.500 -0.115 0.000 2.651 368 R HA 0.219 4.556 4.340 -0.005 0.000 0.282 368 R C -2.085 174.131 176.300 -0.140 0.000 1.565 368 R CA -1.423 54.589 56.100 -0.147 0.000 1.661 368 R CB 0.852 31.016 30.300 -0.226 0.000 1.189 368 R HN 0.251 nan 8.270 nan 0.000 0.621 369 P HA -0.035 nan 4.420 nan 0.000 0.239 369 P C 0.223 177.532 177.300 0.014 0.000 1.184 369 P CA 0.784 63.899 63.100 0.024 0.000 0.760 369 P CB 0.507 32.232 31.700 0.043 0.000 0.884 370 E N -0.712 119.467 120.200 -0.036 0.000 2.501 370 E HA 0.097 4.444 4.350 -0.005 0.000 0.201 370 E C 0.438 176.999 176.600 -0.065 0.000 1.016 370 E CA -0.696 55.686 56.400 -0.030 0.000 0.920 370 E CB -0.053 29.629 29.700 -0.029 0.000 1.023 370 E HN 0.092 nan 8.360 nan 0.000 0.474 371 L N 1.702 122.841 121.223 -0.140 0.000 2.628 371 L HA -0.014 4.323 4.340 -0.005 0.000 0.292 371 L C -0.429 176.383 176.870 -0.096 0.000 1.250 371 L CA 0.614 55.339 54.840 -0.192 0.000 0.892 371 L CB 0.345 42.153 42.059 -0.419 0.000 1.138 371 L HN -0.001 nan 8.230 nan 0.000 0.502 372 A N 5.192 127.966 122.820 -0.076 0.000 2.587 372 A HA 0.575 4.892 4.320 -0.005 0.000 0.293 372 A C -0.964 176.600 177.584 -0.034 0.000 1.087 372 A CA -0.851 51.168 52.037 -0.030 0.000 0.692 372 A CB 0.726 19.716 19.000 -0.017 0.000 1.291 372 A HN 0.730 nan 8.150 nan 0.000 0.407 373 L N 0.887 122.103 121.223 -0.011 0.000 2.485 373 L HA 0.264 4.601 4.340 -0.005 0.000 0.275 373 L C 1.363 178.223 176.870 -0.016 0.000 1.207 373 L CA 0.366 55.199 54.840 -0.012 0.000 0.855 373 L CB 1.293 43.355 42.059 0.004 0.000 1.114 373 L HN 0.941 nan 8.230 nan 0.000 0.485 374 A N 3.746 126.553 122.820 -0.021 0.000 2.348 374 A HA 0.384 4.701 4.320 -0.005 0.000 0.224 374 A C 0.085 177.660 177.584 -0.015 0.000 1.227 374 A CA 0.090 52.115 52.037 -0.020 0.000 0.885 374 A CB 0.072 19.057 19.000 -0.026 0.000 0.933 374 A HN 0.478 nan 8.150 nan 0.000 0.506 375 V N -4.466 115.442 119.914 -0.011 0.000 3.141 375 V HA 0.904 5.021 4.120 -0.005 0.000 0.312 375 V C 0.387 176.482 176.094 0.002 0.000 1.157 375 V CA -0.532 61.764 62.300 -0.005 0.000 1.041 375 V CB 0.803 32.621 31.823 -0.007 0.000 1.071 375 V HN 0.409 nan 8.190 nan 0.000 0.441 376 G N -0.001 108.803 108.800 0.006 0.000 2.491 376 G HA2 0.337 4.294 3.960 -0.005 0.000 0.242 376 G HA3 0.337 4.294 3.960 -0.005 0.000 0.242 376 G C 0.558 175.471 174.900 0.022 0.000 1.266 376 G CA -0.142 44.966 45.100 0.013 0.000 0.844 376 G HN 1.094 nan 8.290 nan 0.000 0.571 377 L N 0.787 122.028 121.223 0.030 0.000 2.043 377 L HA -0.147 4.190 4.340 -0.005 0.000 0.212 377 L C 2.669 179.578 176.870 0.065 0.000 1.075 377 L CA 2.241 57.111 54.840 0.050 0.000 0.752 377 L CB -0.193 41.897 42.059 0.051 0.000 0.891 377 L HN 0.843 nan 8.230 nan 0.000 0.432 378 D N -1.083 119.347 120.400 0.051 0.000 2.350 378 D HA -0.233 4.403 4.640 -0.005 0.000 0.216 378 D C 1.252 177.585 176.300 0.055 0.000 0.968 378 D CA 0.865 54.898 54.000 0.055 0.000 0.894 378 D CB -0.134 40.689 40.800 0.039 0.000 0.909 378 D HN 0.533 nan 8.370 nan 0.000 0.520 379 E N -0.008 120.217 120.200 0.042 0.000 2.472 379 E HA 0.174 4.521 4.350 -0.005 0.000 0.196 379 E C 0.413 177.028 176.600 0.023 0.000 1.033 379 E CA -0.292 56.126 56.400 0.030 0.000 0.886 379 E CB 0.520 30.228 29.700 0.015 0.000 0.944 379 E HN 0.311 nan 8.360 nan 0.000 0.492 380 L N 2.053 123.294 121.223 0.030 0.000 2.455 380 L HA 0.087 4.424 4.340 -0.005 0.000 0.272 380 L C -0.126 176.746 176.870 0.003 0.000 1.174 380 L CA -0.287 54.541 54.840 -0.020 0.000 0.869 380 L CB 0.606 42.638 42.059 -0.045 0.000 1.130 380 L HN -0.144 nan 8.230 nan 0.000 0.474 381 V N 3.833 123.704 119.914 -0.071 0.000 2.394 381 V HA 0.301 4.418 4.120 -0.005 0.000 0.282 381 V C -0.424 175.599 176.094 -0.119 0.000 1.031 381 V CA -0.599 61.691 62.300 -0.016 0.000 0.881 381 V CB 1.062 32.870 31.823 -0.025 0.000 0.982 381 V HN 0.371 nan 8.190 nan 0.000 0.451 382 Y N 3.014 123.327 120.300 0.021 0.000 2.387 382 Y HA 0.550 5.097 4.550 -0.006 0.000 0.330 382 Y C 0.975 176.842 175.900 -0.055 0.000 1.133 382 Y CA -0.735 57.374 58.100 0.016 0.000 1.152 382 Y CB 1.193 39.694 38.460 0.068 0.000 1.215 382 Y HN 0.507 nan 8.280 nan 0.000 0.466 383 R N 1.843 122.387 120.500 0.074 0.000 2.679 383 R HA 0.205 4.542 4.340 -0.005 0.000 0.268 383 R C -0.463 175.675 176.300 -0.270 0.000 1.044 383 R CA -0.199 55.859 56.100 -0.071 0.000 1.105 383 R CB 0.358 30.648 30.300 -0.017 0.000 0.989 383 R HN 0.549 nan 8.270 nan 0.000 0.447 384 R N 1.267 121.441 120.500 -0.543 0.000 2.205 384 R HA 0.183 4.520 4.340 -0.005 0.000 0.342 384 R C -0.508 175.453 176.300 -0.565 0.000 1.058 384 R CA -0.093 55.297 56.100 -1.183 0.000 0.904 384 R CB 1.246 30.856 30.300 -1.150 0.000 1.089 384 R HN 0.426 nan 8.270 nan 0.000 0.471 385 S N 0.565 116.083 115.700 -0.303 0.000 2.543 385 S HA 0.131 4.598 4.470 -0.005 0.000 0.271 385 S C 0.673 175.525 174.600 0.419 0.000 1.148 385 S CA -0.748 57.506 58.200 0.091 0.000 0.914 385 S CB 1.557 64.819 63.200 0.104 0.000 1.096 385 S HN 0.643 nan 8.310 nan 0.000 0.471 386 T N 2.391 117.171 114.554 0.378 0.000 3.129 386 T HA 0.144 4.491 4.350 -0.005 0.000 0.251 386 T C 1.222 176.109 174.700 0.310 0.000 1.117 386 T CA 0.480 62.837 62.100 0.429 0.000 1.034 386 T CB -0.042 68.923 68.868 0.162 0.000 0.968 386 T HN 0.418 nan 8.240 nan 0.000 0.526 387 L N 1.366 122.737 121.223 0.246 0.000 2.445 387 L HA 0.516 4.853 4.340 -0.005 0.000 0.207 387 L C 0.352 177.341 176.870 0.197 0.000 1.053 387 L CA 0.304 55.255 54.840 0.185 0.000 0.841 387 L CB 0.913 43.052 42.059 0.133 0.000 1.074 387 L HN 0.311 nan 8.230 nan 0.000 0.479 388 V N -1.211 118.829 119.914 0.209 0.000 2.769 388 V HA 0.657 4.774 4.120 -0.005 0.000 0.312 388 V C -0.522 175.705 176.094 0.221 0.000 1.061 388 V CA -0.862 61.554 62.300 0.194 0.000 0.931 388 V CB 1.729 33.649 31.823 0.162 0.000 1.010 388 V HN 0.323 nan 8.190 nan 0.000 0.433 389 R N 2.658 123.278 120.500 0.200 0.000 2.247 389 R HA 0.783 5.120 4.340 -0.005 0.000 0.329 389 R C -0.183 176.269 176.300 0.253 0.000 1.014 389 R CA 0.525 56.745 56.100 0.200 0.000 0.907 389 R CB 0.753 31.129 30.300 0.126 0.000 1.146 389 R HN 1.431 nan 8.270 nan 0.000 0.499 390 G N 3.791 112.786 108.800 0.326 0.000 2.766 390 G HA2 0.346 4.302 3.960 -0.005 0.000 0.297 390 G HA3 0.346 4.302 3.960 -0.005 0.000 0.297 390 G C -1.287 173.705 174.900 0.153 0.000 1.431 390 G CA -0.859 44.386 45.100 0.243 0.000 1.042 390 G HN 0.458 nan 8.290 nan 0.000 0.542 391 L N 1.329 122.499 121.223 -0.089 0.000 2.461 391 L HA 0.182 4.519 4.340 -0.005 0.000 0.272 391 L C 1.926 178.693 176.870 -0.171 0.000 1.197 391 L CA -0.263 54.351 54.840 -0.377 0.000 0.836 391 L CB 1.478 43.315 42.059 -0.371 0.000 1.105 391 L HN 0.630 nan 8.230 nan 0.000 0.477 392 S N 1.979 117.565 115.700 -0.189 0.000 2.377 392 S HA 0.116 4.583 4.470 -0.005 0.000 0.223 392 S C 0.659 175.192 174.600 -0.111 0.000 1.030 392 S CA 0.836 58.967 58.200 -0.115 0.000 0.970 392 S CB 0.157 63.298 63.200 -0.098 0.000 0.830 392 S HN 0.614 nan 8.310 nan 0.000 0.473 393 R N -0.566 119.859 120.500 -0.125 0.000 2.680 393 R HA 0.431 4.768 4.340 -0.005 0.000 0.269 393 R C -1.397 174.840 176.300 -0.104 0.000 1.026 393 R CA -0.286 55.757 56.100 -0.096 0.000 0.889 393 R CB 1.625 31.878 30.300 -0.079 0.000 1.241 393 R HN 0.235 nan 8.270 nan 0.000 0.463 394 M N 2.989 122.547 119.600 -0.070 0.000 1.980 394 M HA 0.362 4.839 4.480 -0.005 0.000 0.282 394 M C -2.626 173.648 176.300 -0.044 0.000 0.878 394 M CA -1.905 53.358 55.300 -0.061 0.000 0.900 394 M CB 1.767 34.339 32.600 -0.046 0.000 1.577 394 M HN 0.168 nan 8.290 nan 0.000 0.396 395 P HA 0.055 nan 4.420 nan 0.000 0.261 395 P C -0.802 176.476 177.300 -0.037 0.000 1.203 395 P CA -0.001 63.077 63.100 -0.037 0.000 0.767 395 P CB 0.295 31.975 31.700 -0.033 0.000 0.785 396 V N 1.219 121.107 119.914 -0.044 0.000 3.126 396 V HA 0.763 4.880 4.120 -0.005 0.000 0.314 396 V C -0.451 175.609 176.094 -0.057 0.000 1.138 396 V CA -0.687 61.580 62.300 -0.055 0.000 1.034 396 V CB 2.257 34.033 31.823 -0.079 0.000 1.075 396 V HN 0.244 nan 8.190 nan 0.000 0.442 397 T N 3.405 117.921 114.554 -0.063 0.000 2.809 397 T HA 0.428 4.775 4.350 -0.005 0.000 0.284 397 T C 0.859 175.507 174.700 -0.087 0.000 0.992 397 T CA -0.516 61.547 62.100 -0.063 0.000 0.957 397 T CB 1.386 70.226 68.868 -0.046 0.000 0.942 397 T HN 0.641 nan 8.240 nan 0.000 0.439 398 M N 1.769 121.311 119.600 -0.097 0.000 2.132 398 M HA 0.159 4.636 4.480 -0.005 0.000 0.263 398 M C 1.577 177.808 176.300 -0.114 0.000 1.065 398 M CA 1.170 56.392 55.300 -0.130 0.000 1.122 398 M CB -1.624 30.899 32.600 -0.127 0.000 1.365 398 M HN 0.971 nan 8.290 nan 0.000 0.411 399 G N 1.148 109.900 108.800 -0.080 0.000 2.796 399 G HA2 -0.163 3.794 3.960 -0.005 0.000 0.226 399 G HA3 -0.163 3.794 3.960 -0.005 0.000 0.226 399 G C -2.693 172.170 174.900 -0.060 0.000 1.381 399 G CA -0.788 44.275 45.100 -0.062 0.000 0.867 399 G HN 0.259 nan 8.290 nan 0.000 0.552 400 P HA 0.309 nan 4.420 nan 0.000 0.275 400 P C 0.049 177.323 177.300 -0.043 0.000 1.228 400 P CA -0.283 62.794 63.100 -0.039 0.000 0.786 400 P CB 0.528 32.212 31.700 -0.027 0.000 0.927 401 R N 0.891 121.368 120.500 -0.039 0.000 2.590 401 R HA 0.227 4.564 4.340 -0.005 0.000 0.274 401 R C 0.880 177.166 176.300 -0.024 0.000 1.061 401 R CA -0.277 55.802 56.100 -0.036 0.000 1.081 401 R CB -0.135 30.147 30.300 -0.029 0.000 0.984 401 R HN 0.445 nan 8.270 nan 0.000 0.448 402 S N 0.651 116.339 115.700 -0.019 0.000 2.579 402 S HA 0.361 4.828 4.470 -0.005 0.000 0.275 402 S C -0.058 174.540 174.600 -0.004 0.000 1.345 402 S CA -0.237 57.959 58.200 -0.008 0.000 1.031 402 S CB 0.683 63.883 63.200 -0.000 0.000 0.892 402 S HN 0.646 nan 8.310 nan 0.000 0.529 403 A N 0.000 122.820 122.820 -0.001 0.000 2.254 403 A HA 0.000 4.317 4.320 -0.005 0.000 0.244 403 A CA 0.000 52.037 52.037 0.000 0.000 0.836 403 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 403 A HN 0.000 nan 8.150 nan 0.000 0.486