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 1sja_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKLSGVELRR VQMPLVAPFR TSFGTQSVRE LLLLRAVTPA GEGWGECVTM DATA SEQUENCE AGPLYSSEYN DGAEHVLRHY LIPALLAAED ITAAKVTPLL AKFKGHRMAK DATA SEQUENCE GALEMAVLDA ELRAHERSFA AELGSVRDSV PCGVSVGIMD TIPQLLDVVG DATA SEQUENCE GYLDEGYVRI KLKIEPGWDV EPVRAVRERF GDDVLLQVDA NTAYTLGDAP DATA SEQUENCE QLARLDPFGL LLIEQPLEEE DVLGHAELAR RIQTPICLDE SIVSARAAAD DATA SEQUENCE AIKLGAVQIV NIKPGRVGGY LEARRVHDVC AAHGIPVWCG GMIETGLGRA DATA SEQUENCE ANVALASLPN FTLPGDTSAS DRFYKTDITE PFVLSGGHLP VPTGPGLGVA DATA SEQUENCE PIPELLDEVT TAKVWIGS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.315 176.300 0.024 0.000 1.140 1 M CA 0.000 55.321 55.300 0.035 0.000 0.988 1 M CB 0.000 32.625 32.600 0.041 0.000 1.302 2 K N 1.937 122.350 120.400 0.021 0.000 2.535 2 K HA 0.560 4.880 4.320 0.001 0.000 0.250 2 K C -2.056 174.553 176.600 0.016 0.000 0.948 2 K CA -0.758 55.539 56.287 0.017 0.000 0.796 2 K CB 2.063 34.573 32.500 0.015 0.000 1.216 2 K HN 0.646 nan 8.250 nan 0.000 0.432 3 L N 3.814 125.042 121.223 0.007 0.000 2.418 3 L HA 0.147 4.487 4.340 0.001 0.000 0.274 3 L C 0.551 177.427 176.870 0.010 0.000 1.135 3 L CA 0.863 55.703 54.840 -0.000 0.000 0.870 3 L CB 1.114 43.157 42.059 -0.026 0.000 1.154 3 L HN 0.842 nan 8.230 nan 0.000 0.462 4 S N 2.603 118.330 115.700 0.044 0.000 2.421 4 S HA 0.500 4.970 4.470 0.001 0.000 0.224 4 S C 0.599 175.271 174.600 0.120 0.000 1.035 4 S CA 0.405 58.670 58.200 0.108 0.000 0.953 4 S CB 0.113 63.404 63.200 0.150 0.000 0.810 4 S HN 0.983 nan 8.310 nan 0.000 0.497 5 G N -0.127 108.673 108.800 -0.000 0.000 2.315 5 G HA2 0.448 4.408 3.960 0.001 0.000 0.294 5 G HA3 0.448 4.408 3.960 0.001 0.000 0.294 5 G C -2.162 172.420 174.900 -0.530 0.000 1.300 5 G CA -0.610 44.198 45.100 -0.487 0.000 0.843 5 G HN 0.156 nan 8.290 nan 0.000 0.527 6 V N 0.136 119.501 119.914 -0.915 0.000 2.808 6 V HA 0.600 4.720 4.120 0.001 0.000 0.308 6 V C -0.438 175.392 176.094 -0.441 0.000 1.099 6 V CA -0.728 61.289 62.300 -0.472 0.000 0.920 6 V CB 1.845 33.481 31.823 -0.312 0.000 1.014 6 V HN 0.939 nan 8.190 nan 0.000 0.425 7 E N 3.391 123.542 120.200 -0.082 0.000 2.216 7 E HA 0.629 4.979 4.350 0.001 0.000 0.279 7 E C -1.601 174.980 176.600 -0.031 0.000 0.997 7 E CA -0.653 55.785 56.400 0.064 0.000 0.817 7 E CB 1.710 31.512 29.700 0.171 0.000 1.096 7 E HN 0.598 nan 8.360 nan 0.000 0.393 8 L N 4.939 126.153 121.223 -0.015 0.000 2.298 8 L HA 0.470 4.810 4.340 0.001 0.000 0.284 8 L C -0.117 176.773 176.870 0.033 0.000 1.013 8 L CA -0.294 54.538 54.840 -0.014 0.000 0.824 8 L CB 1.063 43.088 42.059 -0.057 0.000 1.221 8 L HN 0.512 nan 8.230 nan 0.000 0.418 9 R N 3.308 123.847 120.500 0.066 0.000 2.787 9 R HA 0.608 4.948 4.340 0.001 0.000 0.271 9 R C -0.863 175.478 176.300 0.068 0.000 0.993 9 R CA -1.087 55.064 56.100 0.085 0.000 0.993 9 R CB 1.844 32.230 30.300 0.144 0.000 1.155 9 R HN 0.397 nan 8.270 nan 0.000 0.486 10 R N 1.764 122.299 120.500 0.057 0.000 2.337 10 R HA 0.360 4.700 4.340 0.001 0.000 0.319 10 R C -0.923 175.403 176.300 0.043 0.000 0.954 10 R CA -0.545 55.584 56.100 0.048 0.000 0.840 10 R CB 1.719 32.045 30.300 0.043 0.000 1.164 10 R HN 0.294 nan 8.270 nan 0.000 0.472 11 V N 2.548 122.483 119.914 0.035 0.000 2.850 11 V HA 0.392 4.512 4.120 0.001 0.000 0.315 11 V C -0.007 176.097 176.094 0.015 0.000 1.064 11 V CA -0.738 61.571 62.300 0.015 0.000 0.979 11 V CB 2.057 33.873 31.823 -0.011 0.000 1.039 11 V HN 0.611 nan 8.190 nan 0.000 0.452 12 Q N 2.808 122.612 119.800 0.007 0.000 2.589 12 Q HA 0.538 4.879 4.340 0.001 0.000 0.245 12 Q C -1.473 174.540 176.000 0.022 0.000 0.931 12 Q CA -0.250 55.568 55.803 0.025 0.000 0.730 12 Q CB 1.366 30.127 28.738 0.037 0.000 1.315 12 Q HN 0.762 nan 8.270 nan 0.000 0.469 13 M N 4.600 124.220 119.600 0.033 0.000 2.268 13 M HA 0.504 4.984 4.480 0.001 0.000 0.344 13 M C -2.315 174.104 176.300 0.199 0.000 1.106 13 M CA -1.937 53.399 55.300 0.060 0.000 1.010 13 M CB 1.655 34.170 32.600 -0.143 0.000 1.649 13 M HN 0.312 nan 8.290 nan 0.000 0.443 14 P HA 0.214 nan 4.420 nan 0.000 0.275 14 P C -1.009 176.442 177.300 0.251 0.000 1.228 14 P CA -0.212 62.999 63.100 0.184 0.000 0.786 14 P CB 0.603 32.379 31.700 0.127 0.000 0.927 15 L N 3.452 124.781 121.223 0.176 0.000 2.292 15 L HA 0.109 4.449 4.340 0.001 0.000 0.284 15 L C 1.837 178.775 176.870 0.113 0.000 1.065 15 L CA -0.524 54.401 54.840 0.141 0.000 0.806 15 L CB 1.462 43.612 42.059 0.151 0.000 1.175 15 L HN 0.202 nan 8.230 nan 0.000 0.431 16 V N 3.553 123.516 119.914 0.082 0.000 2.250 16 V HA -0.246 3.874 4.120 0.001 0.000 0.250 16 V C 0.913 177.034 176.094 0.045 0.000 1.060 16 V CA 2.145 64.476 62.300 0.051 0.000 1.030 16 V CB -0.317 31.508 31.823 0.004 0.000 0.643 16 V HN 0.862 nan 8.190 nan 0.000 0.445 17 A N -1.004 121.844 122.820 0.048 0.000 2.398 17 A HA 0.712 5.033 4.320 0.001 0.000 0.301 17 A C -2.834 174.825 177.584 0.125 0.000 1.041 17 A CA -1.486 50.588 52.037 0.063 0.000 0.711 17 A CB 1.106 20.128 19.000 0.036 0.000 1.240 17 A HN 0.205 nan 8.150 nan 0.000 0.420 18 P HA 0.035 nan 4.420 nan 0.000 0.265 18 P C -0.958 176.472 177.300 0.217 0.000 1.167 18 P CA 0.761 63.941 63.100 0.133 0.000 0.760 18 P CB 0.034 31.771 31.700 0.061 0.000 0.783 19 F N 3.757 123.738 119.950 0.052 0.000 2.403 19 F HA 0.416 4.944 4.527 0.001 0.000 0.355 19 F C 0.343 176.126 175.800 -0.028 0.000 1.119 19 F CA -0.971 57.064 58.000 0.058 0.000 1.007 19 F CB 1.032 40.146 39.000 0.189 0.000 1.194 19 F HN 0.094 nan 8.300 nan 0.000 0.443 20 R N 4.535 124.696 120.500 -0.565 0.000 2.338 20 R HA 0.607 4.948 4.340 0.001 0.000 0.317 20 R C -0.875 174.978 176.300 -0.745 0.000 0.968 20 R CA -0.108 55.664 56.100 -0.546 0.000 0.849 20 R CB 1.401 31.486 30.300 -0.358 0.000 1.128 20 R HN 0.763 nan 8.270 nan 0.000 0.448 21 T N 0.383 114.535 114.554 -0.671 0.000 2.807 21 T HA 0.114 4.464 4.350 0.001 0.000 0.277 21 T C 1.056 175.461 174.700 -0.492 0.000 1.006 21 T CA -0.251 61.440 62.100 -0.682 0.000 1.006 21 T CB 1.529 69.757 68.868 -1.068 0.000 1.274 21 T HN 0.691 nan 8.240 nan 0.000 0.569 22 S N 0.183 115.664 115.700 -0.365 0.000 2.515 22 S HA -0.034 4.437 4.470 0.001 0.000 0.231 22 S C 1.585 176.144 174.600 -0.068 0.000 0.987 22 S CA 0.950 59.063 58.200 -0.144 0.000 0.936 22 S CB -0.717 62.483 63.200 0.000 0.000 0.766 22 S HN 0.677 nan 8.310 nan 0.000 0.528 23 F N 0.229 120.172 119.950 -0.012 0.000 2.656 23 F HA 0.701 5.228 4.527 0.001 0.000 0.291 23 F C 0.993 176.782 175.800 -0.018 0.000 1.122 23 F CA -0.209 57.789 58.000 -0.002 0.000 1.427 23 F CB -0.418 38.603 39.000 0.035 0.000 1.125 23 F HN 0.399 nan 8.300 nan 0.000 0.583 24 G N -0.192 108.497 108.800 -0.185 0.000 2.339 24 G HA2 0.319 4.280 3.960 0.001 0.000 0.302 24 G HA3 0.319 4.280 3.960 0.001 0.000 0.302 24 G C -1.434 173.368 174.900 -0.163 0.000 1.425 24 G CA -0.747 44.295 45.100 -0.097 0.000 0.899 24 G HN 0.063 nan 8.290 nan 0.000 0.619 25 T N 0.786 115.282 114.554 -0.097 0.000 2.817 25 T HA 0.554 4.904 4.350 0.001 0.000 0.293 25 T C 0.078 174.781 174.700 0.006 0.000 0.964 25 T CA 0.054 62.108 62.100 -0.077 0.000 1.085 25 T CB 1.537 70.364 68.868 -0.069 0.000 0.921 25 T HN 0.582 nan 8.240 nan 0.000 0.502 26 Q N 1.604 121.435 119.800 0.051 0.000 2.325 26 Q HA 0.404 4.744 4.340 0.001 0.000 0.270 26 Q C 0.034 176.113 176.000 0.132 0.000 1.020 26 Q CA -0.521 55.350 55.803 0.114 0.000 0.785 26 Q CB 1.126 29.973 28.738 0.180 0.000 1.259 26 Q HN 0.756 nan 8.270 nan 0.000 0.452 27 S N 1.693 117.455 115.700 0.103 0.000 2.502 27 S HA 0.198 4.669 4.470 0.001 0.000 0.228 27 S C 0.261 174.928 174.600 0.111 0.000 1.061 27 S CA -0.098 58.162 58.200 0.101 0.000 0.935 27 S CB 0.837 64.081 63.200 0.073 0.000 0.809 27 S HN 0.394 nan 8.310 nan 0.000 0.510 28 V N 2.569 122.546 119.914 0.106 0.000 2.656 28 V HA 0.506 4.626 4.120 0.001 0.000 0.307 28 V C -0.513 175.650 176.094 0.116 0.000 1.051 28 V CA -0.848 61.521 62.300 0.115 0.000 0.893 28 V CB 2.017 33.895 31.823 0.093 0.000 0.999 28 V HN 0.144 nan 8.190 nan 0.000 0.426 29 R N 2.996 123.583 120.500 0.145 0.000 2.255 29 R HA 0.422 4.763 4.340 0.001 0.000 0.326 29 R C -0.484 175.876 176.300 0.100 0.000 0.986 29 R CA -0.295 55.881 56.100 0.127 0.000 0.847 29 R CB 1.239 31.652 30.300 0.188 0.000 1.111 29 R HN 0.767 nan 8.270 nan 0.000 0.452 30 E N 4.899 125.147 120.200 0.080 0.000 2.134 30 E HA 0.323 4.673 4.350 0.001 0.000 0.278 30 E C -0.547 176.088 176.600 0.057 0.000 0.959 30 E CA -0.441 55.999 56.400 0.066 0.000 0.783 30 E CB 1.116 30.860 29.700 0.073 0.000 1.095 30 E HN 0.394 nan 8.360 nan 0.000 0.399 31 L N 2.657 123.905 121.223 0.043 0.000 2.286 31 L HA 0.618 4.958 4.340 0.001 0.000 0.265 31 L C -0.952 175.944 176.870 0.044 0.000 1.012 31 L CA -1.284 53.578 54.840 0.037 0.000 0.818 31 L CB 0.924 42.994 42.059 0.019 0.000 1.337 31 L HN 0.325 nan 8.230 nan 0.000 0.438 32 L N 1.754 123.006 121.223 0.048 0.000 2.376 32 L HA 0.620 4.960 4.340 0.001 0.000 0.275 32 L C -1.161 175.754 176.870 0.075 0.000 0.987 32 L CA -0.082 54.790 54.840 0.054 0.000 0.828 32 L CB 1.498 43.581 42.059 0.041 0.000 1.249 32 L HN 0.400 nan 8.230 nan 0.000 0.409 33 L N 5.539 126.827 121.223 0.107 0.000 2.342 33 L HA 0.670 5.010 4.340 0.001 0.000 0.271 33 L C -0.949 176.024 176.870 0.171 0.000 1.008 33 L CA -0.694 54.258 54.840 0.187 0.000 0.818 33 L CB 1.902 44.132 42.059 0.285 0.000 1.296 33 L HN 0.447 nan 8.230 nan 0.000 0.427 34 L N 2.362 123.688 121.223 0.171 0.000 2.386 34 L HA 0.632 4.973 4.340 0.001 0.000 0.271 34 L C -0.486 176.280 176.870 -0.173 0.000 0.993 34 L CA -0.633 54.215 54.840 0.012 0.000 0.819 34 L CB 2.212 44.267 42.059 -0.007 0.000 1.294 34 L HN 0.545 nan 8.230 nan 0.000 0.414 35 R N 2.207 122.474 120.500 -0.388 0.000 2.320 35 R HA 0.681 5.021 4.340 0.001 0.000 0.319 35 R C -0.755 175.356 176.300 -0.315 0.000 0.969 35 R CA -0.341 55.342 56.100 -0.694 0.000 0.857 35 R CB 1.506 31.265 30.300 -0.902 0.000 1.160 35 R HN 0.810 nan 8.270 nan 0.000 0.491 36 A N 4.013 126.683 122.820 -0.249 0.000 2.320 36 A HA 0.440 4.761 4.320 0.001 0.000 0.287 36 A C -0.490 177.050 177.584 -0.074 0.000 1.181 36 A CA -0.485 51.480 52.037 -0.120 0.000 0.831 36 A CB 1.085 20.042 19.000 -0.072 0.000 1.102 36 A HN 0.479 nan 8.150 nan 0.000 0.513 37 V N 3.092 123.020 119.914 0.024 0.000 2.435 37 V HA 0.697 4.817 4.120 0.001 0.000 0.290 37 V C 0.542 176.678 176.094 0.071 0.000 1.030 37 V CA 0.221 62.574 62.300 0.088 0.000 0.881 37 V CB 1.387 33.382 31.823 0.285 0.000 0.983 37 V HN 1.155 nan 8.190 nan 0.000 0.445 38 T N 2.281 116.860 114.554 0.042 0.000 2.864 38 T HA 0.506 4.857 4.350 0.001 0.000 0.299 38 T C -2.315 172.400 174.700 0.026 0.000 1.166 38 T CA -1.832 60.289 62.100 0.034 0.000 1.007 38 T CB 2.244 71.128 68.868 0.027 0.000 1.219 38 T HN 0.285 nan 8.240 nan 0.000 0.506 39 P HA -0.055 nan 4.420 nan 0.000 0.216 39 P C 1.626 178.929 177.300 0.006 0.000 1.150 39 P CA 1.794 64.901 63.100 0.012 0.000 0.843 39 P CB -0.306 31.400 31.700 0.011 0.000 0.787 40 A N -1.221 121.605 122.820 0.009 0.000 1.873 40 A HA 0.345 4.665 4.320 0.001 0.000 0.215 40 A C 1.313 178.903 177.584 0.011 0.000 1.186 40 A CA 1.782 53.822 52.037 0.005 0.000 0.616 40 A CB -0.943 18.062 19.000 0.008 0.000 0.823 40 A HN 0.375 nan 8.150 nan 0.000 0.442 41 G N -1.789 107.021 108.800 0.017 0.000 2.315 41 G HA2 0.443 4.404 3.960 0.001 0.000 0.294 41 G HA3 0.443 4.404 3.960 0.001 0.000 0.294 41 G C -1.478 173.428 174.900 0.010 0.000 1.300 41 G CA -0.400 44.711 45.100 0.017 0.000 0.843 41 G HN 0.331 nan 8.290 nan 0.000 0.527 42 E N -1.008 119.191 120.200 -0.000 0.000 2.312 42 E HA 0.597 4.947 4.350 0.001 0.000 0.259 42 E C 0.273 176.850 176.600 -0.039 0.000 1.122 42 E CA -0.399 55.964 56.400 -0.060 0.000 0.922 42 E CB 1.543 31.157 29.700 -0.144 0.000 1.109 42 E HN 0.868 nan 8.360 nan 0.000 0.442 43 G N 0.183 108.905 108.800 -0.129 0.000 2.659 43 G HA2 0.480 4.440 3.960 0.001 0.000 0.296 43 G HA3 0.480 4.440 3.960 0.001 0.000 0.296 43 G C -2.055 172.747 174.900 -0.163 0.000 1.369 43 G CA -0.871 44.215 45.100 -0.022 0.000 0.937 43 G HN 0.403 nan 8.290 nan 0.000 0.485 44 W N 0.022 121.353 121.300 0.052 0.000 2.702 44 W HA 0.648 5.308 4.660 0.001 0.000 0.331 44 W C 0.310 176.851 176.519 0.036 0.000 1.049 44 W CA -0.512 56.852 57.345 0.031 0.000 1.230 44 W CB 2.965 32.426 29.460 0.000 0.000 1.408 44 W HN 0.809 nan 8.180 nan 0.000 0.492 45 G N 1.657 110.634 108.800 0.296 0.000 2.571 45 G HA2 0.568 4.528 3.960 0.001 0.000 0.304 45 G HA3 0.568 4.528 3.960 0.001 0.000 0.304 45 G C -1.915 173.109 174.900 0.208 0.000 1.314 45 G CA -0.651 44.579 45.100 0.216 0.000 0.975 45 G HN 0.379 nan 8.290 nan 0.000 0.485 46 E N 0.336 120.636 120.200 0.166 0.000 2.187 46 E HA 0.446 4.797 4.350 0.001 0.000 0.268 46 E C -0.950 175.712 176.600 0.103 0.000 0.896 46 E CA -0.641 55.832 56.400 0.123 0.000 0.766 46 E CB 2.020 31.771 29.700 0.085 0.000 1.142 46 E HN 0.477 nan 8.360 nan 0.000 0.408 47 C N 4.315 123.660 119.300 0.075 0.000 2.341 47 C HA 0.320 4.781 4.460 0.001 0.000 0.338 47 C C 1.496 176.505 174.990 0.031 0.000 1.257 47 C CA -0.505 58.545 59.018 0.055 0.000 1.883 47 C CB 0.090 27.859 27.740 0.048 0.000 2.334 47 C HN 0.727 nan 8.230 nan 0.000 0.524 48 V N 3.534 123.454 119.914 0.010 0.000 3.623 48 V HA 0.152 4.272 4.120 0.001 0.000 0.271 48 V C 1.145 177.223 176.094 -0.026 0.000 1.248 48 V CA 0.830 63.114 62.300 -0.027 0.000 1.156 48 V CB -1.887 29.891 31.823 -0.075 0.000 0.870 48 V HN 0.974 nan 8.190 nan 0.000 0.453 49 T N -1.302 113.259 114.554 0.011 0.000 2.680 49 T HA 0.457 4.807 4.350 0.001 0.000 0.314 49 T C -0.137 174.591 174.700 0.047 0.000 1.045 49 T CA 0.085 62.207 62.100 0.037 0.000 1.025 49 T CB 1.099 70.002 68.868 0.058 0.000 1.000 49 T HN 0.395 nan 8.240 nan 0.000 0.535 50 M N -0.756 118.895 119.600 0.085 0.000 2.812 50 M HA 0.588 5.068 4.480 0.001 0.000 0.285 50 M C 1.816 178.201 176.300 0.143 0.000 1.216 50 M CA -0.787 54.571 55.300 0.097 0.000 0.749 50 M CB 1.213 33.868 32.600 0.092 0.000 1.756 50 M HN 0.748 nan 8.290 nan 0.000 0.439 51 A N 0.160 123.056 122.820 0.127 0.000 1.859 51 A HA 0.103 4.423 4.320 0.001 0.000 0.217 51 A C 0.982 178.652 177.584 0.143 0.000 1.198 51 A CA 2.126 54.244 52.037 0.135 0.000 0.629 51 A CB -1.193 17.866 19.000 0.098 0.000 0.830 51 A HN 0.829 nan 8.150 nan 0.000 0.446 52 G N -2.116 106.721 108.800 0.061 0.000 2.820 52 G HA2 0.534 4.495 3.960 0.001 0.000 0.291 52 G HA3 0.534 4.495 3.960 0.001 0.000 0.291 52 G C -3.021 171.856 174.900 -0.038 0.000 1.323 52 G CA -1.156 43.889 45.100 -0.091 0.000 1.055 52 G HN 0.122 nan 8.290 nan 0.000 0.520 53 P HA 0.325 nan 4.420 nan 0.000 0.212 53 P C 0.232 177.477 177.300 -0.092 0.000 1.860 53 P CA -0.308 62.760 63.100 -0.053 0.000 1.135 53 P CB 0.514 32.165 31.700 -0.082 0.000 1.801 54 L N 0.302 121.453 121.223 -0.120 0.000 2.577 54 L HA 0.181 4.521 4.340 0.001 0.000 0.225 54 L C 2.114 178.694 176.870 -0.483 0.000 1.053 54 L CA 0.229 54.943 54.840 -0.209 0.000 0.866 54 L CB -0.441 41.574 42.059 -0.074 0.000 1.132 54 L HN 0.095 nan 8.230 nan 0.000 0.486 55 Y N 1.218 121.092 120.300 -0.711 0.000 2.397 55 Y HA 0.137 4.687 4.550 0.001 0.000 0.292 55 Y C 1.186 176.898 175.900 -0.313 0.000 1.115 55 Y CA 0.210 57.865 58.100 -0.742 0.000 1.208 55 Y CB 0.517 38.574 38.460 -0.672 0.000 1.046 55 Y HN 0.196 nan 8.280 nan 0.000 0.552 56 S N -1.727 113.900 115.700 -0.122 0.000 2.752 56 S HA 0.264 4.735 4.470 0.001 0.000 0.284 56 S C 0.647 175.232 174.600 -0.026 0.000 1.189 56 S CA -0.219 57.924 58.200 -0.095 0.000 0.835 56 S CB 0.735 63.941 63.200 0.010 0.000 1.192 56 S HN 0.230 nan 8.310 nan 0.000 0.506 57 S N -0.188 115.501 115.700 -0.018 0.000 2.453 57 S HA 0.078 4.549 4.470 0.001 0.000 0.231 57 S C 0.336 175.016 174.600 0.133 0.000 1.005 57 S CA 0.290 58.506 58.200 0.026 0.000 0.949 57 S CB -0.788 62.399 63.200 -0.022 0.000 0.774 57 S HN 0.743 nan 8.310 nan 0.000 0.510 58 E N 1.587 121.845 120.200 0.097 0.000 2.316 58 E HA 0.382 4.732 4.350 0.001 0.000 0.275 58 E C -0.829 175.916 176.600 0.243 0.000 1.029 58 E CA -0.418 56.053 56.400 0.118 0.000 0.871 58 E CB 0.410 30.134 29.700 0.041 0.000 1.022 58 E HN 0.680 nan 8.360 nan 0.000 0.418 59 Y N 0.766 121.086 120.300 0.033 0.000 2.615 59 Y HA 0.377 4.927 4.550 0.001 0.000 0.341 59 Y C 0.632 176.563 175.900 0.051 0.000 1.089 59 Y CA -1.387 56.734 58.100 0.036 0.000 1.049 59 Y CB 0.301 38.778 38.460 0.028 0.000 1.296 59 Y HN 0.180 nan 8.280 nan 0.000 0.470 60 N N 0.927 119.712 118.700 0.141 0.000 2.023 60 N HA -0.226 4.514 4.740 0.001 0.000 0.200 60 N C 0.935 176.415 175.510 -0.050 0.000 1.048 60 N CA 2.262 55.342 53.050 0.051 0.000 0.872 60 N CB -0.444 38.101 38.487 0.097 0.000 1.070 60 N HN 0.848 nan 8.380 nan 0.000 0.441 61 D N -0.165 120.229 120.400 -0.010 0.000 2.228 61 D HA -0.099 4.541 4.640 0.001 0.000 0.203 61 D C 1.808 177.988 176.300 -0.201 0.000 0.988 61 D CA 1.166 55.142 54.000 -0.042 0.000 0.864 61 D CB -0.559 40.308 40.800 0.112 0.000 0.928 61 D HN 0.451 nan 8.370 nan 0.000 0.469 62 G N 0.396 108.841 108.800 -0.592 0.000 2.426 62 G HA2 -0.016 3.944 3.960 0.001 0.000 0.214 62 G HA3 -0.016 3.944 3.960 0.001 0.000 0.214 62 G C 1.725 176.526 174.900 -0.164 0.000 1.156 62 G CA 0.813 45.617 45.100 -0.493 0.000 0.802 62 G HN 0.364 nan 8.290 nan 0.000 0.534 63 A N 1.039 123.775 122.820 -0.140 0.000 1.877 63 A HA -0.065 4.255 4.320 0.001 0.000 0.216 63 A C 2.099 179.671 177.584 -0.020 0.000 1.186 63 A CA 2.106 54.127 52.037 -0.026 0.000 0.620 63 A CB -0.562 18.432 19.000 -0.010 0.000 0.822 63 A HN 0.476 nan 8.150 nan 0.000 0.443 64 E N -0.977 119.210 120.200 -0.023 0.000 2.049 64 E HA -0.338 4.012 4.350 0.001 0.000 0.198 64 E C 1.861 178.450 176.600 -0.018 0.000 1.007 64 E CA 1.837 58.223 56.400 -0.024 0.000 0.809 64 E CB -0.360 29.333 29.700 -0.011 0.000 0.749 64 E HN 0.822 nan 8.360 nan 0.000 0.450 65 H N -0.575 118.471 119.070 -0.039 0.000 2.290 65 H HA -0.128 4.429 4.556 0.001 0.000 0.298 65 H C 2.159 177.534 175.328 0.077 0.000 1.087 65 H CA 2.006 58.096 56.048 0.069 0.000 1.291 65 H CB -0.216 29.593 29.762 0.079 0.000 1.369 65 H HN 0.134 nan 8.280 nan 0.000 0.492 66 V N 0.265 120.297 119.914 0.196 0.000 2.469 66 V HA -0.212 3.909 4.120 0.001 0.000 0.251 66 V C 2.292 178.357 176.094 -0.048 0.000 1.064 66 V CA 1.776 64.106 62.300 0.051 0.000 1.066 66 V CB -0.454 31.187 31.823 -0.304 0.000 0.667 66 V HN 0.441 nan 8.190 nan 0.000 0.461 67 L N -0.726 120.446 121.223 -0.085 0.000 2.044 67 L HA -0.124 4.216 4.340 0.001 0.000 0.205 67 L C 2.718 179.456 176.870 -0.219 0.000 1.075 67 L CA 1.997 56.756 54.840 -0.135 0.000 0.747 67 L CB -0.479 41.515 42.059 -0.108 0.000 0.903 67 L HN 0.230 nan 8.230 nan 0.000 0.435 68 R N -1.119 119.200 120.500 -0.302 0.000 2.066 68 R HA -0.138 4.203 4.340 0.001 0.000 0.232 68 R C 2.109 178.015 176.300 -0.656 0.000 1.131 68 R CA 1.287 57.077 56.100 -0.516 0.000 0.955 68 R CB -0.018 29.871 30.300 -0.684 0.000 0.851 68 R HN 0.435 nan 8.270 nan 0.000 0.432 69 H N -2.192 116.673 119.070 -0.341 0.000 2.575 69 H HA 0.073 4.630 4.556 0.001 0.000 0.267 69 H C 0.405 175.249 175.328 -0.806 0.000 0.966 69 H CA 0.754 56.481 56.048 -0.536 0.000 1.165 69 H CB 0.657 30.055 29.762 -0.606 0.000 1.433 69 H HN 0.294 nan 8.280 nan 0.000 0.544 70 Y N -0.886 119.257 120.300 -0.262 0.000 3.199 70 Y HA 0.086 4.636 4.550 0.001 0.000 0.211 70 Y C 2.304 177.877 175.900 -0.544 0.000 0.959 70 Y CA -0.195 57.595 58.100 -0.517 0.000 1.528 70 Y CB 0.128 38.024 38.460 -0.939 0.000 1.487 70 Y HN -0.154 nan 8.280 nan 0.000 0.403 71 L N 0.025 121.054 121.223 -0.324 0.000 2.027 71 L HA -0.137 4.203 4.340 0.001 0.000 0.206 71 L C 1.970 178.776 176.870 -0.107 0.000 1.074 71 L CA 1.494 56.221 54.840 -0.189 0.000 0.745 71 L CB -0.651 41.331 42.059 -0.128 0.000 0.898 71 L HN 0.249 nan 8.230 nan 0.000 0.433 72 I N 0.063 120.542 120.570 -0.153 0.000 2.113 72 I HA -0.195 3.976 4.170 0.001 0.000 0.238 72 I C -0.196 175.842 176.117 -0.133 0.000 1.070 72 I CA 1.546 62.755 61.300 -0.153 0.000 1.332 72 I CB -1.452 36.415 38.000 -0.222 0.000 1.044 72 I HN 0.153 nan 8.210 nan 0.000 0.402 73 P HA -0.290 nan 4.420 nan 0.000 0.217 73 P C 1.400 178.675 177.300 -0.041 0.000 1.158 73 P CA 2.356 65.383 63.100 -0.121 0.000 0.887 73 P CB -0.134 31.476 31.700 -0.151 0.000 0.792 74 A N -1.154 121.674 122.820 0.014 0.000 1.972 74 A HA -0.151 4.169 4.320 0.001 0.000 0.219 74 A C 2.236 179.856 177.584 0.060 0.000 1.169 74 A CA 1.379 53.479 52.037 0.104 0.000 0.635 74 A CB -1.461 17.715 19.000 0.294 0.000 0.810 74 A HN 0.142 nan 8.150 nan 0.000 0.446 75 L N -1.025 120.211 121.223 0.022 0.000 2.131 75 L HA -0.034 4.306 4.340 0.001 0.000 0.206 75 L C 2.459 179.323 176.870 -0.011 0.000 1.087 75 L CA 0.550 55.396 54.840 0.010 0.000 0.767 75 L CB -0.526 41.529 42.059 -0.007 0.000 0.917 75 L HN 0.356 nan 8.230 nan 0.000 0.441 76 L N 0.264 121.464 121.223 -0.037 0.000 2.079 76 L HA -0.203 4.138 4.340 0.001 0.000 0.210 76 L C 2.465 179.321 176.870 -0.023 0.000 1.081 76 L CA 1.271 56.082 54.840 -0.048 0.000 0.752 76 L CB -0.464 41.545 42.059 -0.083 0.000 0.896 76 L HN 0.262 nan 8.230 nan 0.000 0.433 77 A N -0.636 122.177 122.820 -0.012 0.000 2.259 77 A HA 0.379 4.700 4.320 0.001 0.000 0.208 77 A C 0.960 178.549 177.584 0.009 0.000 1.201 77 A CA 0.546 52.583 52.037 0.001 0.000 0.824 77 A CB -0.442 18.564 19.000 0.010 0.000 0.838 77 A HN 0.294 nan 8.150 nan 0.000 0.485 78 A N -0.822 122.004 122.820 0.009 0.000 2.294 78 A HA 0.617 4.937 4.320 0.001 0.000 0.330 78 A C 0.723 178.312 177.584 0.008 0.000 1.133 78 A CA -0.205 51.839 52.037 0.011 0.000 0.836 78 A CB 0.696 19.705 19.000 0.015 0.000 1.190 78 A HN 0.234 nan 8.150 nan 0.000 0.492 79 E N 0.188 120.393 120.200 0.009 0.000 2.021 79 E HA -0.025 4.325 4.350 0.001 0.000 0.189 79 E C -0.145 176.461 176.600 0.010 0.000 0.980 79 E CA 1.485 57.890 56.400 0.008 0.000 0.803 79 E CB 0.118 29.822 29.700 0.008 0.000 0.766 79 E HN 0.768 nan 8.360 nan 0.000 0.449 80 D N -1.228 119.178 120.400 0.011 0.000 2.252 80 D HA 0.470 5.110 4.640 0.001 0.000 0.245 80 D C -1.067 175.241 176.300 0.014 0.000 1.009 80 D CA -0.467 53.541 54.000 0.013 0.000 0.870 80 D CB 1.022 41.831 40.800 0.014 0.000 1.251 80 D HN -0.046 nan 8.370 nan 0.000 0.460 81 I N 1.120 121.700 120.570 0.017 0.000 2.730 81 I HA 0.446 4.616 4.170 0.001 0.000 0.298 81 I C -0.294 175.833 176.117 0.017 0.000 1.089 81 I CA -0.442 60.868 61.300 0.016 0.000 1.041 81 I CB 2.631 40.639 38.000 0.014 0.000 1.235 81 I HN 0.203 nan 8.210 nan 0.000 0.423 82 T N 2.194 116.755 114.554 0.012 0.000 2.900 82 T HA 0.438 4.789 4.350 0.001 0.000 0.303 82 T C 0.716 175.416 174.700 0.001 0.000 1.142 82 T CA -0.074 62.029 62.100 0.004 0.000 1.007 82 T CB 1.989 70.854 68.868 -0.005 0.000 1.156 82 T HN 0.674 nan 8.240 nan 0.000 0.490 83 A N 1.459 124.272 122.820 -0.011 0.000 1.908 83 A HA 0.084 4.405 4.320 0.001 0.000 0.218 83 A C 2.390 179.972 177.584 -0.003 0.000 1.181 83 A CA 2.194 54.227 52.037 -0.007 0.000 0.627 83 A CB -1.062 17.919 19.000 -0.033 0.000 0.818 83 A HN 0.978 nan 8.150 nan 0.000 0.445 84 A N -0.782 122.029 122.820 -0.016 0.000 2.070 84 A HA -0.110 4.210 4.320 0.001 0.000 0.220 84 A C 1.964 179.549 177.584 0.001 0.000 1.159 84 A CA 1.679 53.710 52.037 -0.010 0.000 0.656 84 A CB -0.321 18.667 19.000 -0.021 0.000 0.800 84 A HN 0.547 nan 8.150 nan 0.000 0.453 85 K N -0.631 119.771 120.400 0.004 0.000 2.404 85 K HA 0.191 4.511 4.320 0.001 0.000 0.194 85 K C 1.328 177.939 176.600 0.019 0.000 1.023 85 K CA 0.198 56.491 56.287 0.009 0.000 1.094 85 K CB 0.273 32.779 32.500 0.008 0.000 0.841 85 K HN 0.284 nan 8.250 nan 0.000 0.523 86 V N 0.968 120.895 119.914 0.023 0.000 2.407 86 V HA -0.239 3.882 4.120 0.001 0.000 0.248 86 V C 2.005 178.127 176.094 0.047 0.000 1.055 86 V CA 1.934 64.255 62.300 0.036 0.000 1.049 86 V CB -0.378 31.467 31.823 0.037 0.000 0.662 86 V HN 0.356 nan 8.190 nan 0.000 0.455 87 T N 0.407 114.984 114.554 0.037 0.000 2.701 87 T HA -0.072 4.279 4.350 0.001 0.000 0.263 87 T C -0.068 174.650 174.700 0.031 0.000 1.040 87 T CA 1.860 63.983 62.100 0.038 0.000 1.147 87 T CB -1.092 67.792 68.868 0.027 0.000 0.865 87 T HN 0.441 nan 8.240 nan 0.000 0.426 88 P HA 0.088 nan 4.420 nan 0.000 0.221 88 P C 1.445 178.747 177.300 0.003 0.000 1.150 88 P CA 0.750 63.852 63.100 0.004 0.000 0.800 88 P CB -0.172 31.528 31.700 0.001 0.000 0.787 89 L N -1.502 119.736 121.223 0.024 0.000 2.156 89 L HA -0.034 4.306 4.340 0.001 0.000 0.208 89 L C 1.996 178.909 176.870 0.070 0.000 1.095 89 L CA 1.103 55.966 54.840 0.037 0.000 0.770 89 L CB -0.441 41.648 42.059 0.050 0.000 0.914 89 L HN -0.070 nan 8.230 nan 0.000 0.439 90 L N -1.748 119.537 121.223 0.103 0.000 2.640 90 L HA 0.232 4.572 4.340 0.001 0.000 0.230 90 L C 2.463 179.404 176.870 0.118 0.000 1.123 90 L CA 0.095 55.069 54.840 0.224 0.000 0.900 90 L CB -0.430 41.791 42.059 0.270 0.000 1.146 90 L HN 0.042 nan 8.230 nan 0.000 0.484 91 A N 2.136 124.959 122.820 0.006 0.000 2.042 91 A HA -0.265 4.056 4.320 0.001 0.000 0.222 91 A C 2.354 179.853 177.584 -0.143 0.000 1.167 91 A CA 2.211 54.225 52.037 -0.038 0.000 0.649 91 A CB -0.455 18.523 19.000 -0.037 0.000 0.809 91 A HN 0.619 nan 8.150 nan 0.000 0.457 92 K N -1.286 118.904 120.400 -0.350 0.000 2.360 92 K HA -0.029 4.292 4.320 0.001 0.000 0.201 92 K C -0.440 175.826 176.600 -0.557 0.000 1.046 92 K CA 0.598 56.575 56.287 -0.516 0.000 0.945 92 K CB -0.354 31.739 32.500 -0.679 0.000 0.750 92 K HN 0.401 nan 8.250 nan 0.000 0.464 93 F N 2.614 122.563 119.950 -0.003 0.000 2.404 93 F HA 0.313 4.841 4.527 0.001 0.000 0.354 93 F C 0.228 176.038 175.800 0.017 0.000 1.122 93 F CA -1.386 56.600 58.000 -0.024 0.000 1.080 93 F CB 1.074 40.047 39.000 -0.044 0.000 1.131 93 F HN -0.305 nan 8.300 nan 0.000 0.471 94 K N 3.143 123.647 120.400 0.174 0.000 2.349 94 K HA 0.453 4.774 4.320 0.001 0.000 0.288 94 K C 0.711 177.421 176.600 0.183 0.000 1.058 94 K CA 0.375 56.737 56.287 0.125 0.000 0.953 94 K CB 0.758 33.296 32.500 0.062 0.000 0.997 94 K HN 0.948 nan 8.250 nan 0.000 0.477 95 G N 2.190 111.053 108.800 0.105 0.000 2.488 95 G HA2 -0.286 3.674 3.960 0.001 0.000 0.237 95 G HA3 -0.286 3.674 3.960 0.001 0.000 0.237 95 G C -0.538 174.419 174.900 0.094 0.000 1.209 95 G CA -0.214 44.895 45.100 0.014 0.000 0.929 95 G HN 0.887 nan 8.290 nan 0.000 0.578 96 H N 0.615 119.691 119.070 0.009 0.000 2.506 96 H HA -0.167 4.390 4.556 0.001 0.000 0.323 96 H C 1.991 177.328 175.328 0.015 0.000 1.076 96 H CA 1.265 57.316 56.048 0.005 0.000 1.108 96 H CB -0.695 29.063 29.762 -0.006 0.000 1.569 96 H HN 0.635 nan 8.280 nan 0.000 0.399 97 R N 0.249 120.776 120.500 0.044 0.000 2.073 97 R HA -0.050 4.291 4.340 0.001 0.000 0.229 97 R C 2.424 178.748 176.300 0.041 0.000 1.120 97 R CA 1.433 57.557 56.100 0.040 0.000 0.967 97 R CB -0.005 30.300 30.300 0.009 0.000 0.862 97 R HN 0.342 nan 8.270 nan 0.000 0.436 98 M N 0.340 119.961 119.600 0.036 0.000 2.080 98 M HA -0.166 4.315 4.480 0.001 0.000 0.260 98 M C 2.583 178.913 176.300 0.050 0.000 1.068 98 M CA 1.971 57.291 55.300 0.034 0.000 1.109 98 M CB -0.415 32.204 32.600 0.031 0.000 1.342 98 M HN 0.227 nan 8.290 nan 0.000 0.405 99 A N 0.395 123.257 122.820 0.070 0.000 1.902 99 A HA -0.178 4.143 4.320 0.001 0.000 0.217 99 A C 2.107 179.726 177.584 0.058 0.000 1.181 99 A CA 1.721 53.796 52.037 0.063 0.000 0.623 99 A CB -0.537 18.503 19.000 0.068 0.000 0.818 99 A HN 0.435 nan 8.150 nan 0.000 0.443 100 K N -0.885 119.559 120.400 0.074 0.000 2.002 100 K HA -0.113 4.208 4.320 0.001 0.000 0.209 100 K C 2.168 178.809 176.600 0.069 0.000 1.048 100 K CA 1.181 57.511 56.287 0.071 0.000 0.930 100 K CB -0.559 31.992 32.500 0.086 0.000 0.714 100 K HN 0.464 nan 8.250 nan 0.000 0.438 101 G N 1.212 110.049 108.800 0.063 0.000 2.450 101 G HA2 -0.287 3.673 3.960 0.001 0.000 0.220 101 G HA3 -0.287 3.673 3.960 0.001 0.000 0.220 101 G C 1.605 176.579 174.900 0.123 0.000 1.130 101 G CA 1.102 46.245 45.100 0.072 0.000 0.760 101 G HN 0.369 nan 8.290 nan 0.000 0.557 102 A N 0.389 123.270 122.820 0.103 0.000 1.877 102 A HA 0.066 4.386 4.320 0.001 0.000 0.216 102 A C 2.347 179.998 177.584 0.113 0.000 1.186 102 A CA 1.685 53.793 52.037 0.118 0.000 0.620 102 A CB -0.492 18.556 19.000 0.081 0.000 0.822 102 A HN 0.412 nan 8.150 nan 0.000 0.443 103 L N 0.141 121.409 121.223 0.075 0.000 2.017 103 L HA -0.131 4.209 4.340 0.001 0.000 0.208 103 L C 2.298 179.212 176.870 0.072 0.000 1.073 103 L CA 2.608 57.478 54.840 0.051 0.000 0.745 103 L CB -0.761 41.312 42.059 0.024 0.000 0.894 103 L HN 0.607 nan 8.230 nan 0.000 0.432 104 E N -0.904 119.350 120.200 0.090 0.000 2.153 104 E HA -0.289 4.062 4.350 0.001 0.000 0.194 104 E C 2.213 178.898 176.600 0.141 0.000 0.988 104 E CA 1.495 57.953 56.400 0.097 0.000 0.811 104 E CB -0.151 29.609 29.700 0.100 0.000 0.746 104 E HN 0.580 nan 8.360 nan 0.000 0.466 105 M N 0.205 119.929 119.600 0.207 0.000 2.067 105 M HA -0.194 4.287 4.480 0.001 0.000 0.260 105 M C 2.297 178.750 176.300 0.254 0.000 1.069 105 M CA 1.864 57.346 55.300 0.302 0.000 1.117 105 M CB -0.166 32.634 32.600 0.334 0.000 1.334 105 M HN 0.196 nan 8.290 nan 0.000 0.407 106 A N -0.296 122.625 122.820 0.169 0.000 1.883 106 A HA -0.145 4.175 4.320 0.001 0.000 0.217 106 A C 2.047 179.686 177.584 0.091 0.000 1.186 106 A CA 2.014 54.120 52.037 0.115 0.000 0.624 106 A CB -1.236 17.788 19.000 0.040 0.000 0.822 106 A HN 0.427 nan 8.150 nan 0.000 0.444 107 V N -0.224 119.733 119.914 0.071 0.000 2.219 107 V HA -0.285 3.836 4.120 0.001 0.000 0.248 107 V C 2.489 178.619 176.094 0.061 0.000 1.053 107 V CA 2.190 64.520 62.300 0.050 0.000 1.009 107 V CB -0.924 30.921 31.823 0.037 0.000 0.636 107 V HN 0.600 nan 8.190 nan 0.000 0.445 108 L N 0.602 121.859 121.223 0.057 0.000 2.051 108 L HA -0.244 4.096 4.340 0.001 0.000 0.214 108 L C 2.118 179.017 176.870 0.048 0.000 1.076 108 L CA 2.643 57.471 54.840 -0.019 0.000 0.758 108 L CB -0.985 41.012 42.059 -0.103 0.000 0.890 108 L HN 0.501 nan 8.230 nan 0.000 0.433 109 D N -0.726 119.831 120.400 0.262 0.000 2.078 109 D HA -0.189 4.452 4.640 0.001 0.000 0.193 109 D C 2.136 178.563 176.300 0.211 0.000 0.990 109 D CA 1.671 55.911 54.000 0.399 0.000 0.827 109 D CB -0.199 40.816 40.800 0.358 0.000 0.975 109 D HN 0.418 nan 8.370 nan 0.000 0.451 110 A N 0.313 123.219 122.820 0.144 0.000 1.986 110 A HA -0.244 4.077 4.320 0.001 0.000 0.220 110 A C 2.154 179.799 177.584 0.101 0.000 1.171 110 A CA 2.143 54.239 52.037 0.098 0.000 0.640 110 A CB -0.798 18.236 19.000 0.056 0.000 0.811 110 A HN 0.532 nan 8.150 nan 0.000 0.451 111 E N -0.324 119.933 120.200 0.095 0.000 2.112 111 E HA -0.064 4.286 4.350 0.001 0.000 0.190 111 E C 1.899 178.597 176.600 0.164 0.000 0.979 111 E CA 0.627 57.097 56.400 0.118 0.000 0.814 111 E CB -0.194 29.533 29.700 0.045 0.000 0.762 111 E HN 0.606 nan 8.360 nan 0.000 0.460 112 L N 0.531 121.809 121.223 0.092 0.000 2.093 112 L HA -0.101 4.239 4.340 0.001 0.000 0.208 112 L C 2.835 179.788 176.870 0.138 0.000 1.085 112 L CA 0.909 55.798 54.840 0.083 0.000 0.755 112 L CB -0.371 41.708 42.059 0.034 0.000 0.904 112 L HN 0.140 nan 8.230 nan 0.000 0.435 113 R N 0.062 120.646 120.500 0.140 0.000 2.073 113 R HA -0.133 4.207 4.340 0.001 0.000 0.234 113 R C 2.377 178.733 176.300 0.093 0.000 1.134 113 R CA 1.398 57.567 56.100 0.116 0.000 0.952 113 R CB -0.624 29.744 30.300 0.112 0.000 0.850 113 R HN 0.328 nan 8.270 nan 0.000 0.433 114 A N 1.206 124.084 122.820 0.097 0.000 1.873 114 A HA -0.208 4.112 4.320 0.001 0.000 0.218 114 A C 1.613 179.191 177.584 -0.010 0.000 1.193 114 A CA 1.736 53.792 52.037 0.030 0.000 0.629 114 A CB -0.849 18.161 19.000 0.017 0.000 0.826 114 A HN 0.403 nan 8.150 nan 0.000 0.447 115 H N -0.964 118.116 119.070 0.017 0.000 2.556 115 H HA 0.254 4.811 4.556 0.001 0.000 0.268 115 H C 0.143 175.481 175.328 0.016 0.000 0.996 115 H CA 0.667 56.722 56.048 0.011 0.000 1.157 115 H CB -0.190 29.574 29.762 0.003 0.000 1.355 115 H HN 0.659 nan 8.280 nan 0.000 0.597 116 E N -0.136 120.132 120.200 0.113 0.000 2.360 116 E HA -0.258 4.092 4.350 0.001 0.000 0.238 116 E C 0.006 176.655 176.600 0.082 0.000 1.186 116 E CA 0.172 56.619 56.400 0.080 0.000 0.719 116 E CB -0.562 29.169 29.700 0.051 0.000 1.236 116 E HN 0.458 nan 8.360 nan 0.000 0.386 117 R N 0.152 120.709 120.500 0.095 0.000 2.787 117 R HA 0.571 4.912 4.340 0.001 0.000 0.271 117 R C -0.508 175.843 176.300 0.085 0.000 0.993 117 R CA -0.070 56.073 56.100 0.071 0.000 0.993 117 R CB 1.280 31.605 30.300 0.041 0.000 1.155 117 R HN 0.135 nan 8.270 nan 0.000 0.486 118 S N 1.432 117.180 115.700 0.080 0.000 2.509 118 S HA 0.263 4.733 4.470 0.001 0.000 0.297 118 S C 0.829 175.517 174.600 0.145 0.000 1.118 118 S CA -0.717 57.562 58.200 0.131 0.000 1.074 118 S CB 0.951 64.213 63.200 0.103 0.000 1.038 118 S HN 0.566 nan 8.310 nan 0.000 0.498 119 F N 2.114 122.045 119.950 -0.032 0.000 2.082 119 F HA -0.241 4.287 4.527 0.001 0.000 0.298 119 F C 2.801 178.573 175.800 -0.048 0.000 1.091 119 F CA 2.311 60.274 58.000 -0.061 0.000 1.230 119 F CB -1.057 37.872 39.000 -0.117 0.000 0.983 119 F HN 0.842 nan 8.300 nan 0.000 0.485 120 A N -0.605 122.314 122.820 0.165 0.000 1.940 120 A HA -0.071 4.250 4.320 0.001 0.000 0.219 120 A C 2.381 179.986 177.584 0.036 0.000 1.176 120 A CA 1.862 53.944 52.037 0.075 0.000 0.631 120 A CB -1.297 17.742 19.000 0.064 0.000 0.814 120 A HN 0.369 nan 8.150 nan 0.000 0.446 121 A N -0.479 122.362 122.820 0.035 0.000 1.897 121 A HA -0.068 4.252 4.320 0.001 0.000 0.215 121 A C 1.966 179.542 177.584 -0.013 0.000 1.181 121 A CA 1.970 54.015 52.037 0.013 0.000 0.620 121 A CB -0.434 18.577 19.000 0.019 0.000 0.821 121 A HN 0.506 nan 8.150 nan 0.000 0.443 122 E N 0.459 120.634 120.200 -0.042 0.000 2.023 122 E HA -0.149 4.202 4.350 0.001 0.000 0.196 122 E C 1.834 178.391 176.600 -0.072 0.000 1.003 122 E CA 1.567 57.915 56.400 -0.088 0.000 0.809 122 E CB -0.464 29.128 29.700 -0.181 0.000 0.755 122 E HN 0.566 nan 8.360 nan 0.000 0.449 123 L N -1.291 119.895 121.223 -0.061 0.000 2.191 123 L HA 0.030 4.370 4.340 0.001 0.000 0.212 123 L C 1.427 178.274 176.870 -0.039 0.000 1.103 123 L CA 0.833 55.650 54.840 -0.038 0.000 0.769 123 L CB -0.372 41.686 42.059 -0.003 0.000 0.908 123 L HN 0.496 nan 8.230 nan 0.000 0.438 124 G N 0.118 108.904 108.800 -0.025 0.000 2.226 124 G HA2 -0.220 3.741 3.960 0.001 0.000 0.176 124 G HA3 -0.220 3.741 3.960 0.001 0.000 0.176 124 G C 0.204 175.103 174.900 -0.002 0.000 1.042 124 G CA 0.134 45.226 45.100 -0.014 0.000 0.732 124 G HN 0.272 nan 8.290 nan 0.000 0.494 125 S N -0.772 114.930 115.700 0.003 0.000 2.563 125 S HA 0.406 4.877 4.470 0.001 0.000 0.284 125 S C 1.531 176.151 174.600 0.034 0.000 1.331 125 S CA 0.909 59.118 58.200 0.016 0.000 1.047 125 S CB 1.300 64.509 63.200 0.015 0.000 0.859 125 S HN 1.696 nan 8.310 nan 0.000 0.514 126 V N 1.976 121.920 119.914 0.050 0.000 3.252 126 V HA 0.569 4.690 4.120 0.001 0.000 0.320 126 V C 0.242 176.373 176.094 0.062 0.000 1.459 126 V CA -0.465 61.870 62.300 0.058 0.000 1.095 126 V CB -0.691 31.176 31.823 0.073 0.000 0.997 126 V HN 0.727 nan 8.190 nan 0.000 0.469 127 R N 0.233 120.769 120.500 0.060 0.000 2.771 127 R HA 0.539 4.879 4.340 0.001 0.000 0.274 127 R C -0.744 175.593 176.300 0.060 0.000 0.987 127 R CA -0.348 55.793 56.100 0.068 0.000 0.908 127 R CB 2.184 32.532 30.300 0.079 0.000 1.213 127 R HN 0.145 nan 8.270 nan 0.000 0.468 128 D N -0.213 120.229 120.400 0.069 0.000 2.417 128 D HA 0.042 4.682 4.640 0.001 0.000 0.207 128 D C 0.172 176.524 176.300 0.087 0.000 1.075 128 D CA 0.544 54.583 54.000 0.065 0.000 0.851 128 D CB 0.811 41.641 40.800 0.051 0.000 0.976 128 D HN 0.460 nan 8.370 nan 0.000 0.505 129 S N -0.017 115.755 115.700 0.120 0.000 2.596 129 S HA 0.636 5.106 4.470 0.001 0.000 0.270 129 S C -0.905 173.807 174.600 0.187 0.000 1.155 129 S CA -0.810 57.498 58.200 0.179 0.000 0.827 129 S CB 2.298 65.640 63.200 0.237 0.000 1.130 129 S HN 0.039 nan 8.310 nan 0.000 0.467 130 V N -1.747 118.226 119.914 0.098 0.000 2.841 130 V HA 0.844 4.964 4.120 0.001 0.000 0.310 130 V C -3.209 172.633 176.094 -0.420 0.000 1.090 130 V CA -2.599 59.642 62.300 -0.099 0.000 0.930 130 V CB 1.743 33.540 31.823 -0.043 0.000 1.014 130 V HN 0.795 nan 8.190 nan 0.000 0.425 131 P HA 0.354 nan 4.420 nan 0.000 0.271 131 P C -0.600 176.598 177.300 -0.171 0.000 1.216 131 P CA -0.011 62.772 63.100 -0.527 0.000 0.771 131 P CB 0.666 32.204 31.700 -0.270 0.000 0.864 132 C N 3.305 122.562 119.300 -0.072 0.000 2.408 132 C HA 0.764 5.225 4.460 0.001 0.000 0.321 132 C C 1.047 176.129 174.990 0.153 0.000 1.245 132 C CA -0.197 58.862 59.018 0.070 0.000 1.523 132 C CB 1.313 29.147 27.740 0.157 0.000 2.178 132 C HN 0.691 nan 8.230 nan 0.000 0.488 133 G N 0.833 109.664 108.800 0.053 0.000 2.705 133 G HA2 0.694 4.655 3.960 0.001 0.000 0.299 133 G HA3 0.694 4.655 3.960 0.001 0.000 0.299 133 G C -1.244 173.529 174.900 -0.211 0.000 1.315 133 G CA -0.353 44.731 45.100 -0.027 0.000 1.045 133 G HN 0.764 nan 8.290 nan 0.000 0.517 134 V N -0.791 118.909 119.914 -0.357 0.000 2.789 134 V HA 0.681 4.801 4.120 0.001 0.000 0.311 134 V C -0.361 175.502 176.094 -0.385 0.000 1.073 134 V CA -0.742 61.189 62.300 -0.614 0.000 0.921 134 V CB 2.162 33.282 31.823 -1.172 0.000 1.009 134 V HN 0.800 nan 8.190 nan 0.000 0.426 135 S N 4.885 120.394 115.700 -0.318 0.000 2.410 135 S HA 0.583 5.054 4.470 0.001 0.000 0.304 135 S C -0.719 173.849 174.600 -0.054 0.000 1.095 135 S CA -0.470 57.686 58.200 -0.074 0.000 1.089 135 S CB 0.649 63.906 63.200 0.095 0.000 0.968 135 S HN 0.677 nan 8.310 nan 0.000 0.480 136 V N 6.052 125.969 119.914 0.005 0.000 2.350 136 V HA 0.487 4.608 4.120 0.001 0.000 0.276 136 V C 1.422 177.612 176.094 0.160 0.000 1.028 136 V CA -0.509 61.841 62.300 0.083 0.000 0.860 136 V CB 0.724 32.590 31.823 0.071 0.000 0.990 136 V HN 0.963 nan 8.190 nan 0.000 0.453 137 G N 4.638 113.535 108.800 0.162 0.000 2.518 137 G HA2 0.268 4.228 3.960 0.001 0.000 0.284 137 G HA3 0.268 4.228 3.960 0.001 0.000 0.284 137 G C -0.016 174.855 174.900 -0.049 0.000 1.362 137 G CA -0.551 44.452 45.100 -0.163 0.000 1.065 137 G HN 0.635 nan 8.290 nan 0.000 0.561 138 I N 0.933 121.352 120.570 -0.251 0.000 2.342 138 I HA 0.183 4.354 4.170 0.001 0.000 0.291 138 I C 0.115 175.894 176.117 -0.564 0.000 1.010 138 I CA -0.485 60.544 61.300 -0.450 0.000 1.308 138 I CB 1.426 39.046 38.000 -0.635 0.000 1.400 138 I HN 0.152 nan 8.210 nan 0.000 0.488 139 M N 4.113 123.267 119.600 -0.744 0.000 2.471 139 M HA 0.247 4.728 4.480 0.001 0.000 0.309 139 M C 0.736 176.575 176.300 -0.768 0.000 1.186 139 M CA -0.406 54.612 55.300 -0.469 0.000 1.008 139 M CB 0.908 33.557 32.600 0.082 0.000 1.551 139 M HN 0.425 nan 8.290 nan 0.000 0.477 140 D N 0.740 120.943 120.400 -0.330 0.000 2.213 140 D HA 0.005 4.645 4.640 0.001 0.000 0.205 140 D C 0.683 176.937 176.300 -0.078 0.000 0.961 140 D CA 1.082 54.944 54.000 -0.230 0.000 0.853 140 D CB 0.489 41.213 40.800 -0.127 0.000 0.967 140 D HN 0.748 nan 8.370 nan 0.000 0.496 141 T N -2.734 111.846 114.554 0.042 0.000 2.906 141 T HA 0.440 4.791 4.350 0.001 0.000 0.295 141 T C 1.083 175.992 174.700 0.348 0.000 1.075 141 T CA -0.720 61.486 62.100 0.177 0.000 1.005 141 T CB 1.626 70.553 68.868 0.099 0.000 1.136 141 T HN -0.265 nan 8.240 nan 0.000 0.498 142 I N 1.674 122.416 120.570 0.288 0.000 2.353 142 I HA 0.105 4.276 4.170 0.001 0.000 0.248 142 I C -0.913 175.286 176.117 0.137 0.000 1.119 142 I CA 0.173 61.589 61.300 0.193 0.000 1.417 142 I CB -0.723 37.299 38.000 0.037 0.000 1.078 142 I HN 0.569 nan 8.210 nan 0.000 0.421 143 P HA -0.249 nan 4.420 nan 0.000 0.213 143 P C 1.587 178.948 177.300 0.102 0.000 1.170 143 P CA 1.493 64.640 63.100 0.078 0.000 0.898 143 P CB -0.151 31.582 31.700 0.054 0.000 0.787 144 Q N -0.369 119.492 119.800 0.101 0.000 2.047 144 Q HA -0.250 4.090 4.340 0.001 0.000 0.211 144 Q C 2.124 178.203 176.000 0.131 0.000 1.005 144 Q CA 2.224 58.083 55.803 0.093 0.000 0.866 144 Q CB -0.989 27.794 28.738 0.075 0.000 0.938 144 Q HN 0.076 nan 8.270 nan 0.000 0.414 145 L N 0.206 121.553 121.223 0.207 0.000 2.129 145 L HA -0.175 4.166 4.340 0.001 0.000 0.212 145 L C 2.004 178.992 176.870 0.195 0.000 1.087 145 L CA 1.659 56.644 54.840 0.241 0.000 0.757 145 L CB -0.255 42.019 42.059 0.359 0.000 0.896 145 L HN 0.364 nan 8.230 nan 0.000 0.434 146 L N -0.901 120.440 121.223 0.198 0.000 2.179 146 L HA -0.101 4.239 4.340 0.001 0.000 0.208 146 L C 2.198 179.261 176.870 0.321 0.000 1.096 146 L CA 0.738 55.763 54.840 0.309 0.000 0.779 146 L CB -0.819 41.366 42.059 0.210 0.000 0.922 146 L HN 0.266 nan 8.230 nan 0.000 0.443 147 D N 0.169 120.673 120.400 0.172 0.000 2.077 147 D HA -0.167 4.474 4.640 0.001 0.000 0.193 147 D C 2.355 178.674 176.300 0.031 0.000 0.989 147 D CA 1.247 55.311 54.000 0.106 0.000 0.831 147 D CB -0.512 40.318 40.800 0.049 0.000 0.979 147 D HN 0.008 nan 8.370 nan 0.000 0.449 148 V N 1.009 120.921 119.914 -0.004 0.000 2.250 148 V HA -0.278 3.843 4.120 0.001 0.000 0.250 148 V C 2.715 178.751 176.094 -0.097 0.000 1.060 148 V CA 1.447 63.683 62.300 -0.106 0.000 1.030 148 V CB -0.660 31.178 31.823 0.024 0.000 0.643 148 V HN 0.051 nan 8.190 nan 0.000 0.445 149 V N 0.595 120.501 119.914 -0.013 0.000 2.231 149 V HA -0.266 3.855 4.120 0.001 0.000 0.248 149 V C 2.659 178.538 176.094 -0.359 0.000 1.054 149 V CA 2.442 64.648 62.300 -0.158 0.000 1.015 149 V CB -1.581 30.047 31.823 -0.327 0.000 0.638 149 V HN 0.642 nan 8.190 nan 0.000 0.444 150 G N -0.250 108.328 108.800 -0.369 0.000 2.513 150 G HA2 -0.250 3.711 3.960 0.001 0.000 0.219 150 G HA3 -0.250 3.711 3.960 0.001 0.000 0.219 150 G C 1.581 176.418 174.900 -0.105 0.000 1.160 150 G CA 1.282 46.271 45.100 -0.184 0.000 0.767 150 G HN 0.634 nan 8.290 nan 0.000 0.571 151 G N 0.204 108.925 108.800 -0.132 0.000 2.587 151 G HA2 -0.256 3.704 3.960 0.001 0.000 0.217 151 G HA3 -0.256 3.704 3.960 0.001 0.000 0.217 151 G C 1.559 176.386 174.900 -0.121 0.000 1.240 151 G CA 1.141 46.134 45.100 -0.177 0.000 0.794 151 G HN 0.497 nan 8.290 nan 0.000 0.580 152 Y N 0.491 120.788 120.300 -0.004 0.000 2.139 152 Y HA -0.166 4.385 4.550 0.001 0.000 0.282 152 Y C 2.871 178.838 175.900 0.112 0.000 1.179 152 Y CA 0.894 59.053 58.100 0.098 0.000 1.161 152 Y CB -0.425 38.023 38.460 -0.021 0.000 0.970 152 Y HN 0.077 nan 8.280 nan 0.000 0.511 153 L N -0.232 121.051 121.223 0.100 0.000 2.187 153 L HA -0.271 4.069 4.340 0.001 0.000 0.213 153 L C 1.697 178.587 176.870 0.034 0.000 1.100 153 L CA 1.185 56.036 54.840 0.019 0.000 0.765 153 L CB -0.367 41.600 42.059 -0.153 0.000 0.904 153 L HN 0.335 nan 8.230 nan 0.000 0.437 154 D N -0.394 120.022 120.400 0.027 0.000 2.162 154 D HA -0.131 4.510 4.640 0.001 0.000 0.205 154 D C 1.936 178.239 176.300 0.005 0.000 0.964 154 D CA 0.847 54.857 54.000 0.016 0.000 0.847 154 D CB -0.087 40.718 40.800 0.008 0.000 0.988 154 D HN 0.402 nan 8.370 nan 0.000 0.480 155 E N 0.238 120.450 120.200 0.021 0.000 2.333 155 E HA -0.049 4.302 4.350 0.001 0.000 0.200 155 E C 1.198 177.708 176.600 -0.150 0.000 1.010 155 E CA 0.856 57.228 56.400 -0.046 0.000 0.841 155 E CB -0.054 29.647 29.700 0.001 0.000 0.757 155 E HN 0.342 nan 8.360 nan 0.000 0.508 156 G N 0.262 109.010 108.800 -0.087 0.000 2.154 156 G HA2 -0.260 3.701 3.960 0.001 0.000 0.186 156 G HA3 -0.260 3.701 3.960 0.001 0.000 0.186 156 G C -0.236 174.603 174.900 -0.102 0.000 1.000 156 G CA -0.395 44.650 45.100 -0.092 0.000 0.664 156 G HN 0.234 nan 8.290 nan 0.000 0.513 157 Y N 0.034 120.351 120.300 0.029 0.000 2.610 157 Y HA 0.225 4.775 4.550 0.001 0.000 0.332 157 Y C 2.005 177.899 175.900 -0.011 0.000 1.201 157 Y CA 0.472 58.574 58.100 0.004 0.000 1.465 157 Y CB 1.149 39.600 38.460 -0.016 0.000 1.283 157 Y HN -0.031 nan 8.280 nan 0.000 0.563 158 V N 2.715 122.717 119.914 0.146 0.000 2.871 158 V HA -0.062 4.059 4.120 0.001 0.000 0.256 158 V C 0.776 176.886 176.094 0.027 0.000 1.082 158 V CA 1.258 63.598 62.300 0.067 0.000 1.105 158 V CB -0.557 31.293 31.823 0.045 0.000 0.713 158 V HN 0.686 nan 8.190 nan 0.000 0.473 159 R N -0.122 120.382 120.500 0.007 0.000 2.710 159 R HA 0.493 4.833 4.340 0.001 0.000 0.270 159 R C -2.218 174.034 176.300 -0.080 0.000 1.021 159 R CA -0.709 55.360 56.100 -0.051 0.000 0.889 159 R CB 1.707 31.945 30.300 -0.103 0.000 1.243 159 R HN 0.143 nan 8.270 nan 0.000 0.464 160 I N 1.896 122.410 120.570 -0.093 0.000 2.509 160 I HA 0.445 4.616 4.170 0.001 0.000 0.293 160 I C -0.377 175.678 176.117 -0.103 0.000 1.020 160 I CA -0.502 60.734 61.300 -0.106 0.000 1.088 160 I CB 2.078 40.024 38.000 -0.090 0.000 1.267 160 I HN 0.559 nan 8.210 nan 0.000 0.430 161 K N 7.118 127.457 120.400 -0.101 0.000 2.397 161 K HA 0.721 5.042 4.320 0.001 0.000 0.253 161 K C -1.932 174.665 176.600 -0.005 0.000 0.932 161 K CA -0.548 55.703 56.287 -0.060 0.000 0.795 161 K CB 1.448 33.907 32.500 -0.067 0.000 1.159 161 K HN 0.599 nan 8.250 nan 0.000 0.424 162 L N 4.260 125.497 121.223 0.024 0.000 2.325 162 L HA 0.404 4.745 4.340 0.001 0.000 0.281 162 L C -0.246 176.691 176.870 0.112 0.000 1.004 162 L CA -1.218 53.661 54.840 0.066 0.000 0.823 162 L CB 1.619 43.690 42.059 0.019 0.000 1.236 162 L HN 0.531 nan 8.230 nan 0.000 0.415 163 K N 5.001 125.486 120.400 0.141 0.000 2.447 163 K HA 0.311 4.631 4.320 0.001 0.000 0.281 163 K C -0.171 176.571 176.600 0.235 0.000 1.031 163 K CA 0.209 56.574 56.287 0.130 0.000 1.019 163 K CB 0.731 33.222 32.500 -0.014 0.000 0.918 163 K HN 0.587 nan 8.250 nan 0.000 0.476 164 I N -1.758 118.948 120.570 0.227 0.000 3.237 164 I HA 0.631 4.802 4.170 0.001 0.000 0.308 164 I C -0.235 176.053 176.117 0.286 0.000 1.093 164 I CA -0.850 60.639 61.300 0.315 0.000 1.001 164 I CB 2.230 40.387 38.000 0.262 0.000 1.245 164 I HN 0.615 nan 8.210 nan 0.000 0.485 165 E N 1.732 122.118 120.200 0.310 0.000 2.392 165 E HA 0.377 4.727 4.350 0.001 0.000 0.281 165 E C -3.032 173.600 176.600 0.053 0.000 1.088 165 E CA -1.654 54.807 56.400 0.102 0.000 0.850 165 E CB 2.300 32.026 29.700 0.043 0.000 1.267 165 E HN 0.361 nan 8.360 nan 0.000 0.438 166 P HA 0.152 nan 4.420 nan 0.000 0.266 166 P C 0.499 177.810 177.300 0.019 0.000 1.215 166 P CA 1.653 64.663 63.100 -0.151 0.000 0.763 166 P CB 0.524 32.060 31.700 -0.273 0.000 0.806 167 G N 2.135 110.999 108.800 0.107 0.000 2.201 167 G HA2 -0.183 3.778 3.960 0.001 0.000 0.212 167 G HA3 -0.183 3.778 3.960 0.001 0.000 0.212 167 G C -0.374 174.684 174.900 0.265 0.000 0.994 167 G CA -0.460 44.721 45.100 0.135 0.000 0.644 167 G HN 0.575 nan 8.290 nan 0.000 0.508 168 W N 2.315 123.630 121.300 0.024 0.000 1.949 168 W HA 0.402 5.062 4.660 0.001 0.000 0.299 168 W C -0.535 176.022 176.519 0.062 0.000 0.959 168 W CA 0.152 57.510 57.345 0.022 0.000 1.665 168 W CB 0.369 29.827 29.460 -0.004 0.000 1.829 168 W HN 0.275 nan 8.180 nan 0.000 0.375 169 D N 0.151 120.564 120.400 0.021 0.000 2.973 169 D HA -0.061 4.580 4.640 0.001 0.000 0.187 169 D C 1.473 177.694 176.300 -0.132 0.000 1.467 169 D CA -0.118 53.886 54.000 0.006 0.000 1.515 169 D CB 0.420 41.300 40.800 0.134 0.000 1.182 169 D HN 0.001 nan 8.370 nan 0.000 0.213 170 V N 1.427 121.299 119.914 -0.069 0.000 2.626 170 V HA -0.144 3.977 4.120 0.001 0.000 0.252 170 V C 2.024 177.972 176.094 -0.244 0.000 1.067 170 V CA 1.886 64.130 62.300 -0.092 0.000 1.081 170 V CB -0.288 31.574 31.823 0.065 0.000 0.686 170 V HN 0.151 nan 8.190 nan 0.000 0.468 171 E N 0.657 120.722 120.200 -0.225 0.000 2.005 171 E HA -0.076 4.274 4.350 0.001 0.000 0.191 171 E C 0.137 176.491 176.600 -0.409 0.000 0.987 171 E CA 1.698 57.940 56.400 -0.263 0.000 0.814 171 E CB -2.103 27.486 29.700 -0.186 0.000 0.772 171 E HN 0.491 nan 8.360 nan 0.000 0.453 172 P HA -0.160 nan 4.420 nan 0.000 0.218 172 P C 1.763 178.770 177.300 -0.489 0.000 1.152 172 P CA 1.219 63.867 63.100 -0.753 0.000 0.857 172 P CB -0.057 30.782 31.700 -1.434 0.000 0.787 173 V N 0.072 119.688 119.914 -0.497 0.000 2.407 173 V HA -0.146 3.975 4.120 0.001 0.000 0.245 173 V C 2.988 178.643 176.094 -0.733 0.000 1.041 173 V CA 1.793 63.783 62.300 -0.517 0.000 1.040 173 V CB -0.999 30.514 31.823 -0.518 0.000 0.671 173 V HN 0.102 nan 8.190 nan 0.000 0.455 174 R N 1.085 121.061 120.500 -0.874 0.000 2.073 174 R HA -0.150 4.191 4.340 0.001 0.000 0.234 174 R C 2.238 178.323 176.300 -0.359 0.000 1.134 174 R CA 1.956 57.571 56.100 -0.810 0.000 0.952 174 R CB -0.623 29.431 30.300 -0.411 0.000 0.850 174 R HN 0.387 nan 8.270 nan 0.000 0.433 175 A N 0.816 123.468 122.820 -0.279 0.000 1.865 175 A HA -0.130 4.190 4.320 0.001 0.000 0.217 175 A C 2.378 179.885 177.584 -0.129 0.000 1.191 175 A CA 1.902 53.833 52.037 -0.176 0.000 0.623 175 A CB -0.801 18.102 19.000 -0.162 0.000 0.826 175 A HN 0.245 nan 8.150 nan 0.000 0.444 176 V N -0.330 119.534 119.914 -0.084 0.000 2.407 176 V HA -0.213 3.907 4.120 0.001 0.000 0.248 176 V C 2.694 178.848 176.094 0.100 0.000 1.055 176 V CA 2.299 64.671 62.300 0.119 0.000 1.049 176 V CB -0.791 31.105 31.823 0.121 0.000 0.662 176 V HN 0.518 nan 8.190 nan 0.000 0.455 177 R N 0.356 120.840 120.500 -0.027 0.000 2.096 177 R HA -0.156 4.185 4.340 0.001 0.000 0.235 177 R C 2.156 178.461 176.300 0.008 0.000 1.127 177 R CA 1.816 57.929 56.100 0.022 0.000 0.968 177 R CB -0.568 29.750 30.300 0.029 0.000 0.861 177 R HN 0.709 nan 8.270 nan 0.000 0.440 178 E N -0.151 120.018 120.200 -0.052 0.000 2.012 178 E HA -0.246 4.104 4.350 0.001 0.000 0.197 178 E C 2.038 178.554 176.600 -0.141 0.000 1.007 178 E CA 1.839 58.193 56.400 -0.075 0.000 0.816 178 E CB -0.159 29.482 29.700 -0.099 0.000 0.762 178 E HN 0.224 nan 8.360 nan 0.000 0.451 179 R N -0.880 119.450 120.500 -0.283 0.000 2.082 179 R HA -0.111 4.229 4.340 0.001 0.000 0.228 179 R C 2.313 178.301 176.300 -0.521 0.000 1.140 179 R CA 2.199 57.957 56.100 -0.570 0.000 0.920 179 R CB -0.513 29.096 30.300 -1.152 0.000 0.828 179 R HN 0.263 nan 8.270 nan 0.000 0.430 180 F N 0.004 119.949 119.950 -0.008 0.000 2.502 180 F HA 0.202 4.730 4.527 0.001 0.000 0.298 180 F C 1.414 177.218 175.800 0.007 0.000 1.111 180 F CA 0.580 58.581 58.000 0.002 0.000 1.445 180 F CB -0.035 38.968 39.000 0.004 0.000 1.081 180 F HN 0.457 nan 8.300 nan 0.000 0.558 181 G N 0.301 109.163 108.800 0.102 0.000 2.498 181 G HA2 -0.195 3.766 3.960 0.001 0.000 0.651 181 G HA3 -0.195 3.766 3.960 0.001 0.000 0.651 181 G C -0.513 174.437 174.900 0.083 0.000 1.284 181 G CA -0.279 44.867 45.100 0.076 0.000 0.950 181 G HN 0.036 nan 8.290 nan 0.000 0.511 182 D N -0.467 119.973 120.400 0.066 0.000 2.367 182 D HA 0.185 4.825 4.640 0.001 0.000 0.207 182 D C 1.323 177.655 176.300 0.054 0.000 1.034 182 D CA 0.372 54.410 54.000 0.063 0.000 0.861 182 D CB 0.302 41.132 40.800 0.051 0.000 0.943 182 D HN 0.323 nan 8.370 nan 0.000 0.515 183 D N 0.023 120.455 120.400 0.054 0.000 2.328 183 D HA 0.041 4.682 4.640 0.001 0.000 0.221 183 D C 0.211 176.537 176.300 0.044 0.000 1.072 183 D CA 0.129 54.155 54.000 0.044 0.000 0.850 183 D CB 1.033 41.857 40.800 0.040 0.000 0.922 183 D HN 0.011 nan 8.370 nan 0.000 0.516 184 V N 1.218 121.164 119.914 0.053 0.000 2.785 184 V HA 0.166 4.287 4.120 0.001 0.000 0.300 184 V C 0.787 176.892 176.094 0.017 0.000 1.062 184 V CA -0.694 61.630 62.300 0.040 0.000 1.029 184 V CB 1.975 33.834 31.823 0.059 0.000 1.024 184 V HN -0.018 nan 8.190 nan 0.000 0.477 185 L N 4.450 125.671 121.223 -0.004 0.000 2.283 185 L HA 0.401 4.742 4.340 0.001 0.000 0.287 185 L C -0.565 176.278 176.870 -0.045 0.000 1.073 185 L CA -0.046 54.776 54.840 -0.030 0.000 0.822 185 L CB 0.814 42.844 42.059 -0.048 0.000 1.186 185 L HN 0.446 nan 8.230 nan 0.000 0.436 186 L N 5.195 126.396 121.223 -0.037 0.000 2.408 186 L HA 0.528 4.868 4.340 0.001 0.000 0.268 186 L C -0.618 176.225 176.870 -0.044 0.000 0.986 186 L CA 0.010 54.827 54.840 -0.038 0.000 0.820 186 L CB 2.034 44.087 42.059 -0.008 0.000 1.303 186 L HN 0.715 nan 8.230 nan 0.000 0.411 187 Q N 2.962 122.729 119.800 -0.056 0.000 2.630 187 Q HA 0.824 5.164 4.340 0.001 0.000 0.295 187 Q C -2.047 173.942 176.000 -0.020 0.000 0.944 187 Q CA -1.029 54.747 55.803 -0.046 0.000 0.766 187 Q CB 2.308 30.985 28.738 -0.101 0.000 1.471 187 Q HN 0.364 nan 8.270 nan 0.000 0.416 188 V N 0.342 120.265 119.914 0.015 0.000 3.102 188 V HA 0.577 4.697 4.120 0.001 0.000 0.312 188 V C -1.569 174.584 176.094 0.099 0.000 1.135 188 V CA -0.547 61.780 62.300 0.045 0.000 1.022 188 V CB 2.122 33.959 31.823 0.024 0.000 1.056 188 V HN 0.919 nan 8.190 nan 0.000 0.436 189 D N 0.820 121.301 120.400 0.134 0.000 2.602 189 D HA 0.605 5.246 4.640 0.001 0.000 0.245 189 D C 0.329 176.750 176.300 0.202 0.000 1.325 189 D CA 0.065 54.176 54.000 0.185 0.000 0.952 189 D CB 1.964 42.897 40.800 0.221 0.000 1.317 189 D HN 0.580 nan 8.370 nan 0.000 0.577 190 A N 3.615 126.573 122.820 0.230 0.000 2.123 190 A HA 0.077 4.398 4.320 0.001 0.000 0.214 190 A C 0.916 178.660 177.584 0.268 0.000 1.152 190 A CA 0.458 52.681 52.037 0.310 0.000 0.728 190 A CB -0.706 18.547 19.000 0.423 0.000 0.814 190 A HN 0.816 nan 8.150 nan 0.000 0.464 191 N N -0.429 118.429 118.700 0.264 0.000 2.725 191 N HA -0.206 4.535 4.740 0.001 0.000 0.251 191 N C 0.324 175.973 175.510 0.232 0.000 1.031 191 N CA 1.040 54.269 53.050 0.298 0.000 0.720 191 N CB -1.633 37.138 38.487 0.474 0.000 0.930 191 N HN 1.047 nan 8.380 nan 0.000 0.543 192 T N -6.048 108.624 114.554 0.198 0.000 4.712 192 T HA -0.323 4.027 4.350 0.001 0.000 0.304 192 T C 0.888 175.669 174.700 0.136 0.000 1.250 192 T CA 1.488 63.681 62.100 0.155 0.000 2.371 192 T CB -1.782 67.130 68.868 0.074 0.000 1.829 192 T HN 0.775 nan 8.240 nan 0.000 0.953 193 A N -0.695 122.223 122.820 0.163 0.000 2.119 193 A HA 0.476 4.796 4.320 0.001 0.000 0.216 193 A C 0.717 178.214 177.584 -0.145 0.000 1.152 193 A CA 0.636 52.671 52.037 -0.004 0.000 0.708 193 A CB -0.230 18.716 19.000 -0.089 0.000 0.805 193 A HN 0.818 nan 8.150 nan 0.000 0.460 194 Y N -0.402 119.916 120.300 0.030 0.000 2.480 194 Y HA 0.529 5.080 4.550 0.001 0.000 0.323 194 Y C 1.000 176.891 175.900 -0.016 0.000 1.267 194 Y CA -0.282 57.822 58.100 0.007 0.000 1.336 194 Y CB 0.829 39.291 38.460 0.003 0.000 1.361 194 Y HN 0.090 nan 8.280 nan 0.000 0.518 195 T N -1.888 112.754 114.554 0.146 0.000 2.916 195 T HA 0.303 4.654 4.350 0.001 0.000 0.292 195 T C 0.265 174.987 174.700 0.037 0.000 1.064 195 T CA -0.814 61.319 62.100 0.055 0.000 1.011 195 T CB 1.216 70.100 68.868 0.027 0.000 1.152 195 T HN 0.517 nan 8.240 nan 0.000 0.510 196 L N 2.153 123.374 121.223 -0.004 0.000 2.131 196 L HA 0.226 4.566 4.340 0.001 0.000 0.210 196 L C 2.424 179.296 176.870 0.003 0.000 1.092 196 L CA 2.507 57.336 54.840 -0.018 0.000 0.759 196 L CB -1.235 40.807 42.059 -0.028 0.000 0.903 196 L HN 1.002 nan 8.230 nan 0.000 0.435 197 G N -1.446 107.362 108.800 0.014 0.000 2.498 197 G HA2 -0.223 3.737 3.960 0.001 0.000 0.219 197 G HA3 -0.223 3.737 3.960 0.001 0.000 0.219 197 G C 1.132 176.054 174.900 0.037 0.000 1.119 197 G CA 0.756 45.868 45.100 0.020 0.000 0.766 197 G HN 0.423 nan 8.290 nan 0.000 0.552 198 D N 0.286 120.724 120.400 0.064 0.000 2.339 198 D HA 0.215 4.856 4.640 0.001 0.000 0.217 198 D C 2.554 178.894 176.300 0.067 0.000 1.050 198 D CA 0.571 54.638 54.000 0.113 0.000 0.856 198 D CB 0.202 41.154 40.800 0.253 0.000 0.922 198 D HN 0.246 nan 8.370 nan 0.000 0.518 199 A N 2.200 125.033 122.820 0.022 0.000 1.940 199 A HA -0.197 4.124 4.320 0.001 0.000 0.221 199 A C -0.280 177.300 177.584 -0.008 0.000 1.190 199 A CA 1.507 53.537 52.037 -0.011 0.000 0.647 199 A CB -1.459 17.530 19.000 -0.018 0.000 0.821 199 A HN 0.207 nan 8.150 nan 0.000 0.457 200 P HA -0.177 nan 4.420 nan 0.000 0.215 200 P C 1.616 178.925 177.300 0.016 0.000 1.157 200 P CA 1.725 64.831 63.100 0.009 0.000 0.868 200 P CB -0.092 31.618 31.700 0.016 0.000 0.788 201 Q N -0.047 119.775 119.800 0.038 0.000 2.119 201 Q HA -0.086 4.254 4.340 0.001 0.000 0.201 201 Q C 2.073 178.084 176.000 0.019 0.000 0.972 201 Q CA 1.539 57.376 55.803 0.057 0.000 0.847 201 Q CB -1.275 27.535 28.738 0.120 0.000 0.903 201 Q HN 0.195 nan 8.270 nan 0.000 0.433 202 L N -0.403 120.798 121.223 -0.036 0.000 2.217 202 L HA 0.008 4.349 4.340 0.001 0.000 0.211 202 L C 2.217 179.053 176.870 -0.056 0.000 1.107 202 L CA 0.740 55.511 54.840 -0.114 0.000 0.783 202 L CB -0.695 41.233 42.059 -0.218 0.000 0.919 202 L HN 0.227 nan 8.230 nan 0.000 0.442 203 A N -0.124 122.676 122.820 -0.033 0.000 2.070 203 A HA -0.155 4.166 4.320 0.001 0.000 0.220 203 A C 2.270 179.842 177.584 -0.021 0.000 1.159 203 A CA 0.981 53.001 52.037 -0.027 0.000 0.656 203 A CB -0.347 18.640 19.000 -0.022 0.000 0.800 203 A HN 0.248 nan 8.150 nan 0.000 0.453 204 R N -0.363 120.138 120.500 0.002 0.000 2.152 204 R HA -0.022 4.318 4.340 0.001 0.000 0.232 204 R C 1.511 177.849 176.300 0.064 0.000 1.117 204 R CA 0.961 57.077 56.100 0.028 0.000 0.981 204 R CB -0.673 29.666 30.300 0.064 0.000 0.870 204 R HN 0.602 nan 8.270 nan 0.000 0.451 205 L N 0.602 121.875 121.223 0.083 0.000 2.599 205 L HA -0.030 4.310 4.340 0.001 0.000 0.230 205 L C 1.249 178.153 176.870 0.057 0.000 1.141 205 L CA 0.167 55.126 54.840 0.198 0.000 0.877 205 L CB -0.289 41.857 42.059 0.145 0.000 1.009 205 L HN -0.069 nan 8.230 nan 0.000 0.447 206 D N 0.975 121.346 120.400 -0.048 0.000 2.172 206 D HA -0.175 4.466 4.640 0.001 0.000 0.196 206 D C -0.415 175.786 176.300 -0.164 0.000 0.999 206 D CA 1.494 55.442 54.000 -0.086 0.000 0.856 206 D CB -1.149 39.598 40.800 -0.089 0.000 0.934 206 D HN 0.319 nan 8.370 nan 0.000 0.453 207 P HA -0.024 nan 4.420 nan 0.000 0.227 207 P C 1.184 178.159 177.300 -0.542 0.000 1.161 207 P CA 0.612 63.400 63.100 -0.520 0.000 0.788 207 P CB -0.218 31.019 31.700 -0.773 0.000 0.822 208 F N -0.056 119.879 119.950 -0.024 0.000 2.604 208 F HA 0.216 4.744 4.527 0.001 0.000 0.298 208 F C 1.738 177.527 175.800 -0.018 0.000 1.131 208 F CA 0.730 58.717 58.000 -0.023 0.000 1.457 208 F CB -1.107 37.876 39.000 -0.029 0.000 1.095 208 F HN -0.011 nan 8.300 nan 0.000 0.574 209 G N 1.517 110.360 108.800 0.071 0.000 2.221 209 G HA2 -0.294 3.666 3.960 0.001 0.000 0.265 209 G HA3 -0.294 3.666 3.960 0.001 0.000 0.265 209 G C 0.231 175.163 174.900 0.053 0.000 1.041 209 G CA -0.236 44.891 45.100 0.045 0.000 0.807 209 G HN 0.283 nan 8.290 nan 0.000 0.502 210 L N -1.076 120.187 121.223 0.066 0.000 2.479 210 L HA 0.211 4.551 4.340 0.001 0.000 0.270 210 L C 2.198 179.077 176.870 0.014 0.000 1.236 210 L CA -0.305 54.559 54.840 0.040 0.000 0.823 210 L CB 0.329 42.416 42.059 0.047 0.000 1.098 210 L HN 0.116 nan 8.230 nan 0.000 0.500 211 L N 1.479 122.696 121.223 -0.010 0.000 2.307 211 L HA 0.093 4.433 4.340 0.001 0.000 0.211 211 L C -0.222 176.647 176.870 -0.001 0.000 1.099 211 L CA 0.442 55.270 54.840 -0.021 0.000 0.816 211 L CB 0.137 42.154 42.059 -0.070 0.000 0.952 211 L HN 0.532 nan 8.230 nan 0.000 0.455 212 L N -3.574 117.654 121.223 0.008 0.000 3.002 212 L HA 0.484 4.825 4.340 0.001 0.000 0.267 212 L C -1.173 175.726 176.870 0.049 0.000 0.997 212 L CA -0.811 54.055 54.840 0.043 0.000 0.961 212 L CB 1.513 43.622 42.059 0.083 0.000 1.502 212 L HN -0.137 nan 8.230 nan 0.000 0.408 213 I N 0.168 120.779 120.570 0.068 0.000 2.418 213 I HA 0.558 4.728 4.170 0.001 0.000 0.287 213 I C -0.728 175.461 176.117 0.121 0.000 1.008 213 I CA 0.053 61.392 61.300 0.066 0.000 1.104 213 I CB 1.708 39.716 38.000 0.013 0.000 1.264 213 I HN 0.783 nan 8.210 nan 0.000 0.438 214 E N 5.675 125.968 120.200 0.155 0.000 2.130 214 E HA 0.178 4.529 4.350 0.001 0.000 0.284 214 E C -0.560 176.157 176.600 0.196 0.000 1.018 214 E CA -0.454 56.067 56.400 0.202 0.000 0.817 214 E CB 0.817 30.679 29.700 0.269 0.000 1.078 214 E HN 0.651 nan 8.360 nan 0.000 0.396 215 Q N 3.181 123.097 119.800 0.194 0.000 2.447 215 Q HA -0.166 4.175 4.340 0.001 0.000 0.348 215 Q C -2.137 174.035 176.000 0.286 0.000 1.421 215 Q CA 0.254 56.203 55.803 0.244 0.000 0.978 215 Q CB -0.452 28.380 28.738 0.157 0.000 1.191 215 Q HN 0.479 nan 8.270 nan 0.000 0.371 216 P HA -0.123 nan 4.420 nan 0.000 0.216 216 P C 0.195 177.598 177.300 0.173 0.000 1.153 216 P CA 1.379 64.564 63.100 0.142 0.000 0.848 216 P CB 0.179 31.852 31.700 -0.045 0.000 0.787 217 L N -1.132 120.152 121.223 0.101 0.000 2.298 217 L HA 0.387 4.727 4.340 0.001 0.000 0.268 217 L C 0.916 177.921 176.870 0.225 0.000 1.010 217 L CA -1.541 53.337 54.840 0.063 0.000 0.812 217 L CB 0.246 42.165 42.059 -0.233 0.000 1.331 217 L HN -0.111 nan 8.230 nan 0.000 0.450 218 E N -0.046 120.232 120.200 0.130 0.000 2.438 218 E HA -0.103 4.248 4.350 0.001 0.000 0.261 218 E C 0.458 177.113 176.600 0.092 0.000 1.103 218 E CA -0.161 56.289 56.400 0.083 0.000 0.959 218 E CB 0.815 30.535 29.700 0.034 0.000 0.958 218 E HN 0.746 nan 8.360 nan 0.000 0.447 219 E N 1.508 121.706 120.200 -0.003 0.000 2.097 219 E HA -0.288 4.063 4.350 0.001 0.000 0.196 219 E C 1.119 177.698 176.600 -0.035 0.000 1.000 219 E CA 1.936 58.303 56.400 -0.054 0.000 0.804 219 E CB 0.065 29.694 29.700 -0.119 0.000 0.740 219 E HN 0.639 nan 8.360 nan 0.000 0.454 220 E N 0.520 120.712 120.200 -0.014 0.000 2.481 220 E HA -0.026 4.325 4.350 0.001 0.000 0.195 220 E C -0.074 176.540 176.600 0.024 0.000 1.047 220 E CA 0.405 56.800 56.400 -0.010 0.000 0.867 220 E CB 0.189 29.880 29.700 -0.015 0.000 0.858 220 E HN 0.108 nan 8.360 nan 0.000 0.513 221 D N 0.356 120.802 120.400 0.077 0.000 2.619 221 D HA 0.038 4.678 4.640 0.001 0.000 0.224 221 D C 0.698 177.147 176.300 0.249 0.000 1.133 221 D CA -0.042 54.033 54.000 0.126 0.000 1.017 221 D CB 0.352 41.211 40.800 0.098 0.000 1.077 221 D HN -0.144 nan 8.370 nan 0.000 0.503 222 V N 2.398 122.383 119.914 0.118 0.000 2.255 222 V HA -0.208 3.913 4.120 0.001 0.000 0.243 222 V C 2.584 178.749 176.094 0.118 0.000 1.038 222 V CA 1.077 63.432 62.300 0.093 0.000 1.008 222 V CB -0.482 31.342 31.823 0.001 0.000 0.645 222 V HN 0.503 nan 8.190 nan 0.000 0.449 223 L N 0.704 121.966 121.223 0.064 0.000 2.081 223 L HA -0.161 4.180 4.340 0.001 0.000 0.212 223 L C 2.608 179.507 176.870 0.049 0.000 1.080 223 L CA 1.772 56.639 54.840 0.043 0.000 0.754 223 L CB -1.196 40.875 42.059 0.021 0.000 0.893 223 L HN 0.506 nan 8.230 nan 0.000 0.433 224 G N -1.166 107.669 108.800 0.058 0.000 2.418 224 G HA2 -0.262 3.698 3.960 0.001 0.000 0.217 224 G HA3 -0.262 3.698 3.960 0.001 0.000 0.217 224 G C 1.165 176.047 174.900 -0.030 0.000 1.158 224 G CA 0.739 45.839 45.100 -0.001 0.000 0.771 224 G HN 0.405 nan 8.290 nan 0.000 0.545 225 H N 0.609 119.678 119.070 -0.002 0.000 2.389 225 H HA 0.209 4.765 4.556 0.001 0.000 0.299 225 H C 2.809 178.134 175.328 -0.006 0.000 1.081 225 H CA 1.197 57.244 56.048 -0.002 0.000 1.345 225 H CB -0.104 29.656 29.762 -0.003 0.000 1.393 225 H HN 0.393 nan 8.280 nan 0.000 0.520 226 A N 0.810 123.697 122.820 0.111 0.000 1.933 226 A HA -0.179 4.142 4.320 0.001 0.000 0.218 226 A C 2.216 179.816 177.584 0.026 0.000 1.175 226 A CA 1.553 53.622 52.037 0.053 0.000 0.628 226 A CB -0.156 18.862 19.000 0.031 0.000 0.814 226 A HN 0.268 nan 8.150 nan 0.000 0.444 227 E N -0.272 119.937 120.200 0.015 0.000 2.007 227 E HA -0.174 4.177 4.350 0.001 0.000 0.194 227 E C 1.998 178.591 176.600 -0.012 0.000 0.999 227 E CA 1.299 57.697 56.400 -0.002 0.000 0.811 227 E CB -0.717 28.977 29.700 -0.009 0.000 0.762 227 E HN 0.428 nan 8.360 nan 0.000 0.450 228 L N 1.077 122.281 121.223 -0.033 0.000 2.123 228 L HA -0.243 4.097 4.340 0.001 0.000 0.217 228 L C 2.082 178.937 176.870 -0.025 0.000 1.081 228 L CA 2.473 57.282 54.840 -0.050 0.000 0.772 228 L CB -0.896 41.093 42.059 -0.116 0.000 0.890 228 L HN 0.118 nan 8.230 nan 0.000 0.437 229 A N -0.992 121.828 122.820 -0.000 0.000 2.014 229 A HA -0.136 4.184 4.320 0.001 0.000 0.218 229 A C 2.382 179.967 177.584 0.002 0.000 1.163 229 A CA 1.371 53.414 52.037 0.011 0.000 0.652 229 A CB -0.453 18.563 19.000 0.028 0.000 0.808 229 A HN 0.534 nan 8.150 nan 0.000 0.449 230 R N -1.149 119.350 120.500 -0.002 0.000 2.275 230 R HA 0.124 4.464 4.340 0.001 0.000 0.199 230 R C 1.946 178.240 176.300 -0.009 0.000 0.989 230 R CA 0.528 56.626 56.100 -0.004 0.000 1.016 230 R CB -0.009 30.289 30.300 -0.003 0.000 0.918 230 R HN 0.411 nan 8.270 nan 0.000 0.473 231 R N 0.188 120.679 120.500 -0.014 0.000 2.237 231 R HA 0.200 4.540 4.340 0.001 0.000 0.195 231 R C 0.937 177.224 176.300 -0.021 0.000 0.956 231 R CA 0.352 56.442 56.100 -0.018 0.000 1.029 231 R CB 0.446 30.734 30.300 -0.020 0.000 0.972 231 R HN 0.166 nan 8.270 nan 0.000 0.493 232 I N -2.706 117.851 120.570 -0.022 0.000 2.910 232 I HA 0.258 4.428 4.170 0.001 0.000 0.310 232 I C 0.099 176.205 176.117 -0.018 0.000 1.043 232 I CA -0.792 60.494 61.300 -0.025 0.000 1.053 232 I CB 2.180 40.160 38.000 -0.034 0.000 1.242 232 I HN -0.105 nan 8.210 nan 0.000 0.452 233 Q N 0.799 120.586 119.800 -0.022 0.000 2.376 233 Q HA 0.136 4.477 4.340 0.001 0.000 0.206 233 Q C 0.020 176.014 176.000 -0.009 0.000 0.921 233 Q CA 0.472 56.264 55.803 -0.018 0.000 0.911 233 Q CB 0.409 29.130 28.738 -0.028 0.000 1.032 233 Q HN 0.730 nan 8.270 nan 0.000 0.510 234 T N 3.920 118.469 114.554 -0.008 0.000 2.834 234 T HA 0.150 4.500 4.350 0.001 0.000 0.298 234 T C -2.407 172.300 174.700 0.013 0.000 0.966 234 T CA -1.099 61.004 62.100 0.004 0.000 1.141 234 T CB 0.701 69.572 68.868 0.005 0.000 0.905 234 T HN 0.005 nan 8.240 nan 0.000 0.535 235 P HA 0.182 nan 4.420 nan 0.000 0.269 235 P C -0.217 177.115 177.300 0.053 0.000 1.209 235 P CA -0.443 62.678 63.100 0.034 0.000 0.776 235 P CB 0.439 32.160 31.700 0.036 0.000 0.876 236 I N 1.686 122.293 120.570 0.063 0.000 2.440 236 I HA 0.228 4.398 4.170 0.001 0.000 0.294 236 I C 0.523 176.696 176.117 0.094 0.000 0.995 236 I CA -0.241 61.114 61.300 0.092 0.000 1.306 236 I CB 0.919 38.987 38.000 0.114 0.000 1.407 236 I HN 0.407 nan 8.210 nan 0.000 0.501 237 C N 7.787 127.158 119.300 0.117 0.000 2.482 237 C HA 0.666 5.127 4.460 0.001 0.000 0.317 237 C C -0.547 174.483 174.990 0.067 0.000 1.197 237 C CA -0.534 58.559 59.018 0.126 0.000 1.432 237 C CB 0.521 28.416 27.740 0.258 0.000 2.062 237 C HN 0.707 nan 8.230 nan 0.000 0.471 238 L N 5.063 126.273 121.223 -0.022 0.000 2.334 238 L HA 0.538 4.878 4.340 0.001 0.000 0.273 238 L C 0.320 177.142 176.870 -0.081 0.000 1.013 238 L CA -0.161 54.623 54.840 -0.093 0.000 0.816 238 L CB 1.742 43.679 42.059 -0.203 0.000 1.278 238 L HN 0.798 nan 8.230 nan 0.000 0.431 239 D N 0.434 120.804 120.400 -0.051 0.000 3.137 239 D HA -0.033 4.607 4.640 0.001 0.000 0.236 239 D C 1.414 177.697 176.300 -0.027 0.000 1.557 239 D CA 0.394 54.382 54.000 -0.020 0.000 1.305 239 D CB 0.310 41.165 40.800 0.092 0.000 1.065 239 D HN 0.512 nan 8.370 nan 0.000 0.290 240 E N 0.208 120.373 120.200 -0.057 0.000 2.209 240 E HA -0.064 4.286 4.350 0.001 0.000 0.196 240 E C 2.041 178.556 176.600 -0.141 0.000 0.993 240 E CA 1.173 57.466 56.400 -0.179 0.000 0.819 240 E CB -0.060 29.420 29.700 -0.367 0.000 0.745 240 E HN 0.096 nan 8.360 nan 0.000 0.477 241 S N -0.096 115.522 115.700 -0.138 0.000 2.406 241 S HA -0.009 4.462 4.470 0.001 0.000 0.228 241 S C 0.698 175.231 174.600 -0.112 0.000 1.020 241 S CA 0.344 58.461 58.200 -0.139 0.000 0.965 241 S CB 0.118 63.197 63.200 -0.203 0.000 0.798 241 S HN 0.150 nan 8.310 nan 0.000 0.488 242 I N 3.495 124.003 120.570 -0.105 0.000 2.293 242 I HA 0.064 4.234 4.170 0.001 0.000 0.299 242 I C 0.910 176.989 176.117 -0.065 0.000 1.153 242 I CA 0.182 61.429 61.300 -0.089 0.000 1.302 242 I CB -0.151 37.788 38.000 -0.101 0.000 1.460 242 I HN 0.070 nan 8.210 nan 0.000 0.552 243 V N 2.767 122.647 119.914 -0.058 0.000 3.542 243 V HA 0.354 4.475 4.120 0.001 0.000 0.296 243 V C 0.571 176.643 176.094 -0.036 0.000 1.364 243 V CA 0.186 62.460 62.300 -0.042 0.000 1.118 243 V CB -0.658 31.138 31.823 -0.044 0.000 0.972 243 V HN 0.720 nan 8.190 nan 0.000 0.430 244 S N -1.576 114.100 115.700 -0.041 0.000 2.643 244 S HA 0.732 5.202 4.470 0.001 0.000 0.266 244 S C 0.539 175.120 174.600 -0.031 0.000 1.130 244 S CA 0.055 58.237 58.200 -0.030 0.000 0.817 244 S CB 1.036 64.222 63.200 -0.024 0.000 1.107 244 S HN 0.975 nan 8.310 nan 0.000 0.471 245 A N 0.984 123.793 122.820 -0.017 0.000 2.015 245 A HA 0.065 4.385 4.320 0.001 0.000 0.219 245 A C 2.095 179.670 177.584 -0.016 0.000 1.163 245 A CA 1.587 53.617 52.037 -0.011 0.000 0.646 245 A CB -0.789 18.215 19.000 0.007 0.000 0.806 245 A HN 0.872 nan 8.150 nan 0.000 0.448 246 R N -0.257 120.233 120.500 -0.017 0.000 2.073 246 R HA 0.009 4.349 4.340 0.001 0.000 0.229 246 R C 2.228 178.505 176.300 -0.039 0.000 1.120 246 R CA 1.383 57.471 56.100 -0.021 0.000 0.967 246 R CB -0.448 29.842 30.300 -0.016 0.000 0.862 246 R HN 0.354 nan 8.270 nan 0.000 0.436 247 A N 1.107 123.901 122.820 -0.044 0.000 1.883 247 A HA -0.156 4.164 4.320 0.001 0.000 0.217 247 A C 2.431 179.971 177.584 -0.074 0.000 1.186 247 A CA 1.859 53.861 52.037 -0.058 0.000 0.624 247 A CB -1.007 17.957 19.000 -0.060 0.000 0.822 247 A HN 0.570 nan 8.150 nan 0.000 0.444 248 A N -0.183 122.593 122.820 -0.073 0.000 1.883 248 A HA 0.087 4.407 4.320 0.001 0.000 0.217 248 A C 2.533 180.045 177.584 -0.119 0.000 1.186 248 A CA 2.443 54.425 52.037 -0.091 0.000 0.624 248 A CB -1.118 17.837 19.000 -0.076 0.000 0.822 248 A HN 1.173 nan 8.150 nan 0.000 0.444 249 A N -0.438 122.319 122.820 -0.104 0.000 1.969 249 A HA -0.141 4.180 4.320 0.001 0.000 0.218 249 A C 1.773 179.257 177.584 -0.167 0.000 1.169 249 A CA 1.873 53.814 52.037 -0.159 0.000 0.635 249 A CB -0.514 18.452 19.000 -0.056 0.000 0.810 249 A HN 0.480 nan 8.150 nan 0.000 0.445 250 D N 0.187 120.525 120.400 -0.104 0.000 2.077 250 D HA -0.033 4.607 4.640 0.001 0.000 0.196 250 D C 2.313 178.558 176.300 -0.093 0.000 0.986 250 D CA 1.704 55.655 54.000 -0.082 0.000 0.829 250 D CB -0.599 40.166 40.800 -0.058 0.000 0.983 250 D HN 0.368 nan 8.370 nan 0.000 0.453 251 A N 0.553 123.315 122.820 -0.096 0.000 1.978 251 A HA -0.161 4.159 4.320 0.001 0.000 0.220 251 A C 2.383 179.904 177.584 -0.105 0.000 1.170 251 A CA 1.021 53.002 52.037 -0.092 0.000 0.636 251 A CB -0.754 18.184 19.000 -0.103 0.000 0.810 251 A HN 0.225 nan 8.150 nan 0.000 0.448 252 I N -0.800 119.678 120.570 -0.155 0.000 2.252 252 I HA -0.232 3.939 4.170 0.001 0.000 0.245 252 I C 2.427 178.445 176.117 -0.164 0.000 1.102 252 I CA 1.376 62.566 61.300 -0.185 0.000 1.385 252 I CB -0.205 37.599 38.000 -0.327 0.000 1.064 252 I HN 0.261 nan 8.210 nan 0.000 0.414 253 K N 0.593 120.886 120.400 -0.180 0.000 2.152 253 K HA -0.123 4.198 4.320 0.001 0.000 0.206 253 K C 1.802 178.366 176.600 -0.060 0.000 1.048 253 K CA 1.230 57.450 56.287 -0.112 0.000 0.933 253 K CB -0.109 32.337 32.500 -0.091 0.000 0.721 253 K HN 0.341 nan 8.250 nan 0.000 0.447 254 L N -0.367 120.822 121.223 -0.057 0.000 2.591 254 L HA 0.113 4.453 4.340 0.001 0.000 0.228 254 L C 1.022 177.880 176.870 -0.020 0.000 1.133 254 L CA 0.207 55.029 54.840 -0.031 0.000 0.880 254 L CB 0.007 42.051 42.059 -0.025 0.000 1.033 254 L HN 0.356 nan 8.230 nan 0.000 0.450 255 G N 0.332 109.114 108.800 -0.030 0.000 2.179 255 G HA2 -0.344 3.617 3.960 0.001 0.000 0.257 255 G HA3 -0.344 3.617 3.960 0.001 0.000 0.257 255 G C 0.884 175.784 174.900 0.000 0.000 1.010 255 G CA 0.437 45.528 45.100 -0.015 0.000 0.736 255 G HN 0.471 nan 8.290 nan 0.000 0.513 256 A N -1.506 121.312 122.820 -0.004 0.000 2.178 256 A HA 0.656 4.977 4.320 0.001 0.000 0.211 256 A C 1.036 178.629 177.584 0.016 0.000 1.157 256 A CA 1.412 53.465 52.037 0.027 0.000 0.780 256 A CB 0.558 19.569 19.000 0.018 0.000 0.828 256 A HN 1.597 nan 8.150 nan 0.000 0.476 257 V N -1.359 118.546 119.914 -0.016 0.000 3.012 257 V HA 0.381 4.502 4.120 0.001 0.000 0.307 257 V C -0.282 175.805 176.094 -0.012 0.000 1.166 257 V CA -0.417 61.872 62.300 -0.019 0.000 0.974 257 V CB 2.090 33.876 31.823 -0.061 0.000 1.040 257 V HN 0.437 nan 8.190 nan 0.000 0.428 258 Q N 3.455 123.261 119.800 0.010 0.000 2.288 258 Q HA 0.534 4.874 4.340 0.001 0.000 0.256 258 Q C -0.565 175.450 176.000 0.026 0.000 0.835 258 Q CA 0.311 56.124 55.803 0.016 0.000 0.958 258 Q CB 1.362 30.117 28.738 0.028 0.000 1.125 258 Q HN 0.702 nan 8.270 nan 0.000 0.513 259 I N 0.470 121.068 120.570 0.046 0.000 2.656 259 I HA 0.305 4.476 4.170 0.001 0.000 0.292 259 I C -1.167 174.976 176.117 0.042 0.000 1.144 259 I CA -0.919 60.431 61.300 0.083 0.000 1.038 259 I CB 2.632 40.750 38.000 0.196 0.000 1.244 259 I HN -0.290 nan 8.210 nan 0.000 0.420 260 V N 4.633 124.514 119.914 -0.056 0.000 2.513 260 V HA 0.411 4.531 4.120 0.001 0.000 0.299 260 V C -0.284 175.536 176.094 -0.457 0.000 1.035 260 V CA -0.729 61.459 62.300 -0.187 0.000 0.889 260 V CB 2.020 33.734 31.823 -0.181 0.000 0.988 260 V HN 0.728 nan 8.190 nan 0.000 0.440 261 N N 5.304 123.661 118.700 -0.572 0.000 2.457 261 N HA 0.368 5.108 4.740 0.001 0.000 0.250 261 N C -0.768 174.428 175.510 -0.524 0.000 0.982 261 N CA -0.324 52.116 53.050 -1.016 0.000 0.941 261 N CB 0.812 38.693 38.487 -1.009 0.000 1.120 261 N HN 0.612 nan 8.380 nan 0.000 0.505 262 I N 2.423 122.744 120.570 -0.414 0.000 2.395 262 I HA 0.228 4.398 4.170 0.001 0.000 0.289 262 I C 0.510 176.558 176.117 -0.115 0.000 1.023 262 I CA -0.296 60.904 61.300 -0.167 0.000 1.350 262 I CB 0.798 38.785 38.000 -0.020 0.000 1.409 262 I HN 0.249 nan 8.210 nan 0.000 0.507 263 K N 7.394 127.732 120.400 -0.103 0.000 2.613 263 K HA 0.310 4.631 4.320 0.001 0.000 0.248 263 K C -2.083 174.434 176.600 -0.138 0.000 0.959 263 K CA -1.479 54.747 56.287 -0.103 0.000 0.855 263 K CB 2.485 34.937 32.500 -0.079 0.000 1.143 263 K HN 0.164 nan 8.250 nan 0.000 0.437 264 P HA -0.158 nan 4.420 nan 0.000 0.215 264 P C 1.184 178.308 177.300 -0.293 0.000 1.153 264 P CA 1.165 64.009 63.100 -0.427 0.000 0.853 264 P CB 0.319 31.348 31.700 -1.119 0.000 0.788 265 G N -0.405 108.272 108.800 -0.205 0.000 2.448 265 G HA2 -0.217 3.743 3.960 0.001 0.000 0.218 265 G HA3 -0.217 3.743 3.960 0.001 0.000 0.218 265 G C 1.733 176.603 174.900 -0.049 0.000 1.135 265 G CA 0.195 45.238 45.100 -0.095 0.000 0.784 265 G HN 0.215 nan 8.290 nan 0.000 0.543 266 R N 0.680 121.151 120.500 -0.047 0.000 2.090 266 R HA -0.015 4.326 4.340 0.001 0.000 0.228 266 R C 2.255 178.549 176.300 -0.010 0.000 1.110 266 R CA 1.594 57.701 56.100 0.011 0.000 0.973 266 R CB -0.195 30.143 30.300 0.064 0.000 0.869 266 R HN 0.378 nan 8.270 nan 0.000 0.440 267 V N -2.151 117.737 119.914 -0.043 0.000 3.577 267 V HA 0.375 4.495 4.120 0.001 0.000 0.294 267 V C 0.751 176.826 176.094 -0.032 0.000 1.317 267 V CA 0.535 62.811 62.300 -0.040 0.000 1.169 267 V CB -0.067 31.726 31.823 -0.051 0.000 1.011 267 V HN 0.435 nan 8.190 nan 0.000 0.426 268 G N -1.135 107.649 108.800 -0.027 0.000 2.137 268 G HA2 0.262 4.222 3.960 0.001 0.000 0.237 268 G HA3 0.262 4.222 3.960 0.001 0.000 0.237 268 G C 0.871 175.766 174.900 -0.007 0.000 1.002 268 G CA 0.002 45.100 45.100 -0.003 0.000 0.702 268 G HN 2.454 nan 8.290 nan 0.000 0.515 269 G N -2.867 105.896 108.800 -0.062 0.000 2.335 269 G HA2 0.317 4.278 3.960 0.001 0.000 0.592 269 G HA3 0.317 4.278 3.960 0.001 0.000 0.592 269 G C 0.099 174.925 174.900 -0.123 0.000 1.442 269 G CA 0.203 45.275 45.100 -0.045 0.000 0.976 269 G HN 0.637 nan 8.290 nan 0.000 0.652 270 Y N 0.264 120.610 120.300 0.077 0.000 2.256 270 Y HA -0.072 4.478 4.550 0.001 0.000 0.288 270 Y C 2.959 178.880 175.900 0.036 0.000 1.155 270 Y CA 2.068 60.215 58.100 0.079 0.000 1.203 270 Y CB -0.162 38.379 38.460 0.135 0.000 0.980 270 Y HN 0.446 nan 8.280 nan 0.000 0.530 271 L N -0.806 120.487 121.223 0.117 0.000 2.072 271 L HA -0.169 4.171 4.340 0.001 0.000 0.205 271 L C 2.466 179.360 176.870 0.040 0.000 1.079 271 L CA 1.427 56.302 54.840 0.058 0.000 0.752 271 L CB -0.473 41.605 42.059 0.032 0.000 0.906 271 L HN 0.099 nan 8.230 nan 0.000 0.436 272 E N 0.880 121.094 120.200 0.023 0.000 2.051 272 E HA -0.214 4.137 4.350 0.001 0.000 0.192 272 E C 2.146 178.757 176.600 0.018 0.000 0.991 272 E CA 1.638 58.045 56.400 0.012 0.000 0.799 272 E CB -0.196 29.502 29.700 -0.005 0.000 0.748 272 E HN 0.342 nan 8.360 nan 0.000 0.449 273 A N 1.145 123.967 122.820 0.002 0.000 1.948 273 A HA -0.259 4.061 4.320 0.001 0.000 0.220 273 A C 2.290 179.943 177.584 0.115 0.000 1.177 273 A CA 1.895 53.950 52.037 0.031 0.000 0.636 273 A CB -0.682 18.297 19.000 -0.036 0.000 0.815 273 A HN 0.235 nan 8.150 nan 0.000 0.449 274 R N -0.389 120.174 120.500 0.105 0.000 2.081 274 R HA -0.108 4.233 4.340 0.001 0.000 0.235 274 R C 2.359 178.738 176.300 0.130 0.000 1.131 274 R CA 1.501 57.666 56.100 0.108 0.000 0.960 274 R CB -0.292 30.040 30.300 0.054 0.000 0.856 274 R HN 0.577 nan 8.270 nan 0.000 0.436 275 R N -0.178 120.374 120.500 0.086 0.000 2.073 275 R HA -0.097 4.244 4.340 0.001 0.000 0.234 275 R C 2.342 178.687 176.300 0.075 0.000 1.134 275 R CA 1.643 57.787 56.100 0.073 0.000 0.952 275 R CB -0.389 29.936 30.300 0.042 0.000 0.850 275 R HN 0.084 nan 8.270 nan 0.000 0.433 276 V N 0.865 120.813 119.914 0.058 0.000 2.287 276 V HA -0.331 3.789 4.120 0.001 0.000 0.248 276 V C 2.491 178.602 176.094 0.028 0.000 1.053 276 V CA 2.172 64.486 62.300 0.023 0.000 1.027 276 V CB -0.962 30.858 31.823 -0.006 0.000 0.646 276 V HN 0.488 nan 8.190 nan 0.000 0.447 277 H N 0.491 119.539 119.070 -0.037 0.000 2.353 277 H HA -0.213 4.343 4.556 0.001 0.000 0.298 277 H C 2.016 177.320 175.328 -0.040 0.000 1.103 277 H CA 2.309 58.309 56.048 -0.080 0.000 1.293 277 H CB -0.171 29.615 29.762 0.040 0.000 1.372 277 H HN 0.433 nan 8.280 nan 0.000 0.501 278 D N 0.013 120.543 120.400 0.217 0.000 2.149 278 D HA -0.078 4.562 4.640 0.001 0.000 0.201 278 D C 2.582 178.903 176.300 0.036 0.000 0.972 278 D CA 0.691 54.782 54.000 0.152 0.000 0.835 278 D CB -0.143 40.758 40.800 0.167 0.000 0.966 278 D HN 0.230 nan 8.370 nan 0.000 0.476 279 V N 0.603 120.542 119.914 0.042 0.000 2.270 279 V HA -0.257 3.864 4.120 0.001 0.000 0.245 279 V C 2.673 178.825 176.094 0.097 0.000 1.043 279 V CA 1.273 63.617 62.300 0.073 0.000 1.014 279 V CB -0.393 31.474 31.823 0.073 0.000 0.645 279 V HN 0.280 nan 8.190 nan 0.000 0.447 280 C N 0.153 119.454 119.300 0.002 0.000 2.413 280 C HA -0.178 4.283 4.460 0.001 0.000 0.277 280 C C 3.095 178.055 174.990 -0.049 0.000 1.228 280 C CA 0.906 59.904 59.018 -0.032 0.000 1.731 280 C CB -1.451 26.203 27.740 -0.144 0.000 2.042 280 C HN 0.649 nan 8.230 nan 0.000 0.468 281 A N 0.456 123.185 122.820 -0.151 0.000 1.927 281 A HA -0.086 4.235 4.320 0.001 0.000 0.220 281 A C 2.277 179.815 177.584 -0.077 0.000 1.185 281 A CA 2.373 54.319 52.037 -0.152 0.000 0.639 281 A CB -0.865 18.005 19.000 -0.216 0.000 0.820 281 A HN 0.681 nan 8.150 nan 0.000 0.451 282 A N -2.471 120.306 122.820 -0.073 0.000 2.168 282 A HA -0.038 4.283 4.320 0.001 0.000 0.215 282 A C 1.685 179.125 177.584 -0.240 0.000 1.152 282 A CA 1.082 53.032 52.037 -0.145 0.000 0.716 282 A CB -0.526 18.364 19.000 -0.184 0.000 0.794 282 A HN 0.665 nan 8.150 nan 0.000 0.465 283 H N -1.468 117.576 119.070 -0.044 0.000 2.672 283 H HA 0.249 4.805 4.556 0.001 0.000 0.277 283 H C 1.440 176.745 175.328 -0.038 0.000 1.074 283 H CA 0.478 56.504 56.048 -0.037 0.000 1.173 283 H CB 0.375 30.113 29.762 -0.039 0.000 1.558 283 H HN 0.571 nan 8.280 nan 0.000 0.539 284 G N 1.806 110.630 108.800 0.039 0.000 2.176 284 G HA2 -0.239 3.721 3.960 0.001 0.000 0.252 284 G HA3 -0.239 3.721 3.960 0.001 0.000 0.252 284 G C -0.015 174.887 174.900 0.004 0.000 1.024 284 G CA -0.019 45.087 45.100 0.009 0.000 0.755 284 G HN 0.176 nan 8.290 nan 0.000 0.507 285 I N 1.110 121.676 120.570 -0.006 0.000 2.315 285 I HA 0.354 4.524 4.170 0.001 0.000 0.291 285 I C -1.958 174.116 176.117 -0.072 0.000 1.006 285 I CA -3.332 57.952 61.300 -0.027 0.000 1.265 285 I CB 1.000 38.980 38.000 -0.034 0.000 1.387 285 I HN -0.153 nan 8.210 nan 0.000 0.475 286 P HA 0.284 nan 4.420 nan 0.000 0.277 286 P C -0.452 176.801 177.300 -0.077 0.000 1.240 286 P CA -0.143 62.928 63.100 -0.049 0.000 0.798 286 P CB 1.266 32.986 31.700 0.033 0.000 0.979 287 V N 0.169 119.973 119.914 -0.184 0.000 3.126 287 V HA 0.919 5.040 4.120 0.001 0.000 0.314 287 V C -1.617 174.418 176.094 -0.098 0.000 1.138 287 V CA -0.870 61.249 62.300 -0.302 0.000 1.034 287 V CB 2.662 34.120 31.823 -0.609 0.000 1.075 287 V HN 0.764 nan 8.190 nan 0.000 0.442 288 W N 0.318 121.554 121.300 -0.107 0.000 3.363 288 W HA 0.576 5.236 4.660 0.001 0.000 0.306 288 W C -1.306 175.399 176.519 0.309 0.000 1.253 288 W CA -1.259 56.198 57.345 0.187 0.000 1.195 288 W CB 0.825 30.358 29.460 0.122 0.000 1.366 288 W HN 0.901 nan 8.180 nan 0.000 0.551 289 C N 3.344 123.028 119.300 0.641 0.000 2.627 289 C HA 0.600 5.061 4.460 0.001 0.000 0.404 289 C C 1.304 176.421 174.990 0.211 0.000 1.340 289 C CA 1.142 60.372 59.018 0.354 0.000 1.758 289 C CB -0.846 27.018 27.740 0.207 0.000 2.501 289 C HN 0.799 nan 8.230 nan 0.000 0.588 290 G N 3.879 112.660 108.800 -0.032 0.000 2.580 290 G HA2 0.629 4.590 3.960 0.001 0.000 0.278 290 G HA3 0.629 4.590 3.960 0.001 0.000 0.278 290 G C -0.161 174.766 174.900 0.044 0.000 1.212 290 G CA 0.077 45.166 45.100 -0.018 0.000 0.939 290 G HN 1.272 nan 8.290 nan 0.000 0.513 291 G N -0.689 108.136 108.800 0.040 0.000 2.719 291 G HA2 0.466 4.426 3.960 0.001 0.000 0.298 291 G HA3 0.466 4.426 3.960 0.001 0.000 0.298 291 G C -0.206 174.649 174.900 -0.076 0.000 1.433 291 G CA -0.576 44.517 45.100 -0.012 0.000 1.034 291 G HN 0.372 nan 8.290 nan 0.000 0.517 292 M N 3.223 122.752 119.600 -0.119 0.000 2.959 292 M HA 0.273 4.754 4.480 0.001 0.000 0.337 292 M C 0.672 176.837 176.300 -0.225 0.000 1.220 292 M CA -0.281 54.916 55.300 -0.172 0.000 0.893 292 M CB -0.567 31.928 32.600 -0.174 0.000 1.322 292 M HN 0.669 nan 8.290 nan 0.000 0.519 293 I N 0.714 121.072 120.570 -0.355 0.000 6.679 293 I HA -0.340 3.831 4.170 0.001 0.000 0.126 293 I C -0.129 175.880 176.117 -0.179 0.000 1.811 293 I CA 0.542 61.508 61.300 -0.558 0.000 2.117 293 I CB -1.611 35.918 38.000 -0.784 0.000 3.492 293 I HN 0.414 nan 8.210 nan 0.000 0.193 294 E N 0.898 121.054 120.200 -0.073 0.000 2.351 294 E HA 0.463 4.813 4.350 0.001 0.000 0.255 294 E C 1.006 177.686 176.600 0.132 0.000 1.188 294 E CA 0.062 56.474 56.400 0.020 0.000 0.940 294 E CB 0.566 30.262 29.700 -0.008 0.000 1.094 294 E HN 0.437 nan 8.360 nan 0.000 0.474 295 T N -2.573 112.007 114.554 0.044 0.000 2.793 295 T HA 0.267 4.617 4.350 0.001 0.000 0.299 295 T C 1.400 176.119 174.700 0.032 0.000 1.038 295 T CA -0.317 61.777 62.100 -0.010 0.000 0.948 295 T CB 0.658 69.445 68.868 -0.136 0.000 1.231 295 T HN 0.474 nan 8.240 nan 0.000 0.538 296 G N -0.351 108.479 108.800 0.049 0.000 2.450 296 G HA2 -0.065 3.896 3.960 0.001 0.000 0.220 296 G HA3 -0.065 3.896 3.960 0.001 0.000 0.220 296 G C 1.426 176.374 174.900 0.081 0.000 1.130 296 G CA 0.702 45.906 45.100 0.173 0.000 0.760 296 G HN 0.653 nan 8.290 nan 0.000 0.557 297 L N 0.644 121.841 121.223 -0.043 0.000 1.933 297 L HA -0.081 4.259 4.340 0.001 0.000 0.220 297 L C 3.206 180.015 176.870 -0.101 0.000 1.078 297 L CA 1.584 56.367 54.840 -0.096 0.000 0.773 297 L CB -1.074 40.923 42.059 -0.103 0.000 0.890 297 L HN 0.308 nan 8.230 nan 0.000 0.434 298 G N -0.765 108.006 108.800 -0.048 0.000 2.442 298 G HA2 -0.301 3.659 3.960 0.001 0.000 0.219 298 G HA3 -0.301 3.659 3.960 0.001 0.000 0.219 298 G C 1.720 176.578 174.900 -0.070 0.000 1.141 298 G CA 0.902 45.994 45.100 -0.012 0.000 0.763 298 G HN 0.255 nan 8.290 nan 0.000 0.554 299 R N 0.510 120.940 120.500 -0.116 0.000 2.091 299 R HA -0.024 4.316 4.340 0.001 0.000 0.238 299 R C 2.865 178.893 176.300 -0.455 0.000 1.136 299 R CA 1.662 57.584 56.100 -0.296 0.000 0.959 299 R CB -0.388 29.685 30.300 -0.378 0.000 0.856 299 R HN 0.297 nan 8.270 nan 0.000 0.437 300 A N 0.431 123.083 122.820 -0.280 0.000 1.877 300 A HA -0.105 4.216 4.320 0.001 0.000 0.216 300 A C 2.370 179.818 177.584 -0.227 0.000 1.186 300 A CA 1.701 53.670 52.037 -0.113 0.000 0.620 300 A CB -0.979 18.062 19.000 0.070 0.000 0.822 300 A HN 0.527 nan 8.150 nan 0.000 0.443 301 A N 0.401 123.002 122.820 -0.364 0.000 1.908 301 A HA -0.222 4.099 4.320 0.001 0.000 0.218 301 A C 1.877 179.361 177.584 -0.168 0.000 1.181 301 A CA 1.929 53.645 52.037 -0.535 0.000 0.627 301 A CB -0.684 17.773 19.000 -0.906 0.000 0.818 301 A HN 0.567 nan 8.150 nan 0.000 0.445 302 N N 0.143 118.819 118.700 -0.041 0.000 2.188 302 N HA -0.103 4.637 4.740 0.001 0.000 0.184 302 N C 1.613 177.067 175.510 -0.092 0.000 1.018 302 N CA 1.485 54.555 53.050 0.032 0.000 0.858 302 N CB -0.664 37.829 38.487 0.010 0.000 0.989 302 N HN 0.270 nan 8.380 nan 0.000 0.426 303 V N 1.475 121.292 119.914 -0.161 0.000 2.407 303 V HA -0.174 3.946 4.120 0.001 0.000 0.248 303 V C 2.383 178.419 176.094 -0.097 0.000 1.055 303 V CA 1.702 63.917 62.300 -0.142 0.000 1.049 303 V CB -0.923 30.819 31.823 -0.135 0.000 0.662 303 V HN 0.299 nan 8.190 nan 0.000 0.455 304 A N -0.071 122.710 122.820 -0.065 0.000 1.877 304 A HA -0.194 4.126 4.320 0.001 0.000 0.216 304 A C 2.164 179.705 177.584 -0.073 0.000 1.186 304 A CA 2.102 54.125 52.037 -0.023 0.000 0.620 304 A CB -0.611 18.413 19.000 0.041 0.000 0.822 304 A HN 0.450 nan 8.150 nan 0.000 0.443 305 L N 0.003 121.183 121.223 -0.073 0.000 1.989 305 L HA -0.073 4.268 4.340 0.001 0.000 0.211 305 L C 2.560 179.046 176.870 -0.640 0.000 1.071 305 L CA 2.410 57.150 54.840 -0.166 0.000 0.749 305 L CB -0.782 41.286 42.059 0.015 0.000 0.890 305 L HN 0.327 nan 8.230 nan 0.000 0.431 306 A N -1.107 121.303 122.820 -0.683 0.000 2.234 306 A HA -0.154 4.167 4.320 0.001 0.000 0.216 306 A C 2.222 179.502 177.584 -0.506 0.000 1.167 306 A CA 1.469 52.939 52.037 -0.945 0.000 0.698 306 A CB -1.024 17.751 19.000 -0.375 0.000 0.779 306 A HN 0.698 nan 8.150 nan 0.000 0.475 307 S N -1.357 114.175 115.700 -0.281 0.000 2.575 307 S HA 0.341 4.812 4.470 0.001 0.000 0.215 307 S C 0.274 174.875 174.600 0.002 0.000 0.966 307 S CA -0.446 57.709 58.200 -0.075 0.000 0.911 307 S CB -0.473 62.713 63.200 -0.023 0.000 0.780 307 S HN 0.169 nan 8.310 nan 0.000 0.514 308 L N 2.671 123.879 121.223 -0.025 0.000 2.452 308 L HA 0.335 4.675 4.340 0.001 0.000 0.267 308 L C -1.145 175.974 176.870 0.415 0.000 1.188 308 L CA -1.700 53.223 54.840 0.138 0.000 0.821 308 L CB 0.129 42.179 42.059 -0.014 0.000 1.102 308 L HN -0.017 nan 8.230 nan 0.000 0.470 309 P HA -0.209 nan 4.420 nan 0.000 0.216 309 P C 0.850 178.371 177.300 0.368 0.000 1.154 309 P CA 1.422 64.722 63.100 0.333 0.000 0.865 309 P CB 0.184 32.031 31.700 0.245 0.000 0.789 310 N N -1.658 117.350 118.700 0.514 0.000 2.398 310 N HA -0.002 4.739 4.740 0.001 0.000 0.188 310 N C -0.293 175.204 175.510 -0.021 0.000 1.122 310 N CA -0.100 52.944 53.050 -0.010 0.000 0.866 310 N CB -0.692 37.404 38.487 -0.651 0.000 0.970 310 N HN -0.054 nan 8.380 nan 0.000 0.462 311 F N 0.617 120.683 119.950 0.192 0.000 2.605 311 F HA 0.152 4.679 4.527 0.001 0.000 0.352 311 F C 1.391 177.278 175.800 0.145 0.000 1.236 311 F CA -0.182 57.926 58.000 0.180 0.000 1.267 311 F CB -0.155 38.960 39.000 0.193 0.000 1.632 311 F HN -0.001 nan 8.300 nan 0.000 0.639 312 T N -0.627 114.047 114.554 0.200 0.000 3.272 312 T HA 0.417 4.767 4.350 0.001 0.000 0.250 312 T C 0.116 174.896 174.700 0.135 0.000 1.082 312 T CA 0.099 62.289 62.100 0.150 0.000 0.968 312 T CB -0.470 68.453 68.868 0.091 0.000 1.015 312 T HN 0.218 nan 8.240 nan 0.000 0.563 313 L N 0.994 122.333 121.223 0.194 0.000 2.445 313 L HA 0.541 4.881 4.340 0.001 0.000 0.262 313 L C -2.580 174.378 176.870 0.146 0.000 0.974 313 L CA -2.586 52.322 54.840 0.114 0.000 0.822 313 L CB 2.483 44.574 42.059 0.053 0.000 1.339 313 L HN -0.170 nan 8.230 nan 0.000 0.409 314 P HA 0.148 nan 4.420 nan 0.000 0.266 314 P C -0.296 177.045 177.300 0.069 0.000 1.195 314 P CA -0.041 63.068 63.100 0.013 0.000 0.768 314 P CB 0.705 32.370 31.700 -0.058 0.000 0.838 315 G N 1.114 110.017 108.800 0.172 0.000 2.642 315 G HA2 0.234 4.195 3.960 0.001 0.000 0.291 315 G HA3 0.234 4.195 3.960 0.001 0.000 0.291 315 G C -0.222 174.793 174.900 0.191 0.000 1.345 315 G CA -0.450 44.862 45.100 0.353 0.000 1.043 315 G HN 0.293 nan 8.290 nan 0.000 0.528 316 D N 0.547 121.112 120.400 0.275 0.000 2.413 316 D HA 0.097 4.737 4.640 0.001 0.000 0.237 316 D C 1.118 177.454 176.300 0.059 0.000 1.171 316 D CA 0.222 54.305 54.000 0.137 0.000 0.839 316 D CB -0.087 40.834 40.800 0.203 0.000 0.950 316 D HN 0.294 nan 8.370 nan 0.000 0.499 317 T N -1.076 113.508 114.554 0.050 0.000 4.058 317 T HA 0.236 4.586 4.350 0.001 0.000 0.252 317 T C 0.844 175.561 174.700 0.029 0.000 1.264 317 T CA -0.568 61.528 62.100 -0.006 0.000 1.094 317 T CB -0.149 68.691 68.868 -0.046 0.000 1.316 317 T HN -0.210 nan 8.240 nan 0.000 0.872 318 S N 1.580 117.303 115.700 0.037 0.000 2.617 318 S HA 0.575 5.046 4.470 0.001 0.000 0.255 318 S C 1.045 175.760 174.600 0.191 0.000 1.318 318 S CA -0.827 57.454 58.200 0.135 0.000 0.978 318 S CB 0.267 63.375 63.200 -0.152 0.000 0.961 318 S HN 0.888 nan 8.310 nan 0.000 0.582 319 A N 0.743 123.755 122.820 0.320 0.000 2.366 319 A HA 0.379 4.700 4.320 0.001 0.000 0.249 319 A C 1.456 179.174 177.584 0.224 0.000 1.084 319 A CA -0.389 51.804 52.037 0.261 0.000 0.794 319 A CB -0.210 18.929 19.000 0.231 0.000 1.034 319 A HN 0.694 nan 8.150 nan 0.000 0.491 320 S N 0.693 116.549 115.700 0.260 0.000 2.365 320 S HA -0.213 4.257 4.470 0.001 0.000 0.225 320 S C 1.648 176.380 174.600 0.221 0.000 1.039 320 S CA 1.907 60.269 58.200 0.271 0.000 1.033 320 S CB -0.503 62.873 63.200 0.294 0.000 0.887 320 S HN 0.974 nan 8.310 nan 0.000 0.447 321 D N 1.461 121.962 120.400 0.168 0.000 2.311 321 D HA -0.194 4.447 4.640 0.001 0.000 0.212 321 D C 1.683 178.011 176.300 0.047 0.000 0.972 321 D CA 0.710 54.781 54.000 0.117 0.000 0.887 321 D CB -0.460 40.399 40.800 0.098 0.000 0.915 321 D HN 0.185 nan 8.370 nan 0.000 0.497 322 R N -0.512 119.998 120.500 0.016 0.000 2.127 322 R HA -0.119 4.222 4.340 0.001 0.000 0.238 322 R C 1.298 177.277 176.300 -0.536 0.000 1.134 322 R CA 1.091 57.072 56.100 -0.198 0.000 0.975 322 R CB -0.400 29.716 30.300 -0.307 0.000 0.865 322 R HN 0.369 nan 8.270 nan 0.000 0.447 323 F N -2.419 117.399 119.950 -0.219 0.000 2.577 323 F HA 0.204 4.732 4.527 0.001 0.000 0.276 323 F C 0.145 175.647 175.800 -0.497 0.000 1.032 323 F CA -0.272 57.438 58.000 -0.483 0.000 1.297 323 F CB 0.485 38.978 39.000 -0.844 0.000 1.061 323 F HN -0.185 nan 8.300 nan 0.000 0.680 324 Y N 0.391 120.810 120.300 0.198 0.000 2.364 324 Y HA 0.294 4.844 4.550 0.001 0.000 0.340 324 Y C 0.968 176.918 175.900 0.083 0.000 0.975 324 Y CA -1.097 57.076 58.100 0.123 0.000 1.089 324 Y CB 1.681 40.201 38.460 0.100 0.000 1.192 324 Y HN -0.253 nan 8.280 nan 0.000 0.454 325 K N 0.929 121.466 120.400 0.228 0.000 1.985 325 K HA -0.032 4.289 4.320 0.001 0.000 0.210 325 K C -0.148 176.525 176.600 0.122 0.000 1.047 325 K CA 1.287 57.656 56.287 0.136 0.000 0.932 325 K CB -0.004 32.559 32.500 0.104 0.000 0.716 325 K HN 0.606 nan 8.250 nan 0.000 0.439 326 T N 1.689 116.313 114.554 0.117 0.000 2.821 326 T HA 0.127 4.477 4.350 0.001 0.000 0.307 326 T C -0.989 173.723 174.700 0.019 0.000 1.034 326 T CA -0.677 61.457 62.100 0.056 0.000 0.953 326 T CB 1.355 70.237 68.868 0.024 0.000 0.968 326 T HN 0.085 nan 8.240 nan 0.000 0.462 327 D N 1.895 122.306 120.400 0.019 0.000 2.283 327 D HA 0.225 4.866 4.640 0.001 0.000 0.248 327 D C 1.525 177.771 176.300 -0.091 0.000 1.072 327 D CA -0.964 53.009 54.000 -0.044 0.000 0.929 327 D CB 1.056 41.887 40.800 0.052 0.000 1.182 327 D HN 0.555 nan 8.370 nan 0.000 0.433 328 I N -0.412 120.067 120.570 -0.152 0.000 3.291 328 I HA 0.051 4.222 4.170 0.001 0.000 0.279 328 I C 0.882 176.900 176.117 -0.164 0.000 1.294 328 I CA 0.185 61.387 61.300 -0.163 0.000 1.428 328 I CB -0.416 37.458 38.000 -0.209 0.000 1.070 328 I HN 0.202 nan 8.210 nan 0.000 0.478 329 T N -1.779 112.696 114.554 -0.131 0.000 2.883 329 T HA 0.337 4.687 4.350 0.001 0.000 0.284 329 T C -0.244 174.393 174.700 -0.106 0.000 1.041 329 T CA -0.769 61.254 62.100 -0.129 0.000 1.007 329 T CB 1.839 70.635 68.868 -0.120 0.000 1.220 329 T HN 0.290 nan 8.240 nan 0.000 0.552 330 E N 1.462 121.578 120.200 -0.141 0.000 2.452 330 E HA 0.182 4.533 4.350 0.001 0.000 0.261 330 E C -2.221 174.266 176.600 -0.187 0.000 0.987 330 E CA -1.274 55.026 56.400 -0.167 0.000 0.926 330 E CB 0.175 29.742 29.700 -0.221 0.000 0.934 330 E HN 0.315 nan 8.360 nan 0.000 0.452 331 P HA 0.128 nan 4.420 nan 0.000 0.281 331 P C -1.028 176.186 177.300 -0.142 0.000 1.249 331 P CA -0.077 62.996 63.100 -0.045 0.000 0.810 331 P CB 0.396 32.109 31.700 0.022 0.000 1.008 332 F N 0.621 120.589 119.950 0.030 0.000 2.420 332 F HA 0.290 4.817 4.527 0.001 0.000 0.352 332 F C 0.320 176.144 175.800 0.040 0.000 1.108 332 F CA 0.036 58.056 58.000 0.032 0.000 1.162 332 F CB 0.786 39.812 39.000 0.042 0.000 1.118 332 F HN -0.095 nan 8.300 nan 0.000 0.510 333 V N 5.541 125.545 119.914 0.151 0.000 2.483 333 V HA 0.251 4.372 4.120 0.001 0.000 0.297 333 V C -0.472 175.667 176.094 0.075 0.000 1.027 333 V CA -0.972 61.381 62.300 0.088 0.000 0.855 333 V CB 1.767 33.606 31.823 0.026 0.000 0.995 333 V HN 0.469 nan 8.190 nan 0.000 0.424 334 L N 4.398 125.641 121.223 0.033 0.000 2.477 334 L HA 0.359 4.700 4.340 0.001 0.000 0.272 334 L C 0.587 177.443 176.870 -0.024 0.000 1.157 334 L CA 1.066 55.892 54.840 -0.024 0.000 0.889 334 L CB 1.184 43.123 42.059 -0.200 0.000 1.158 334 L HN 0.756 nan 8.230 nan 0.000 0.473 335 S N 4.361 120.071 115.700 0.016 0.000 2.622 335 S HA 0.574 5.045 4.470 0.001 0.000 0.283 335 S C 0.444 175.051 174.600 0.011 0.000 1.197 335 S CA -0.039 58.165 58.200 0.006 0.000 1.146 335 S CB 0.072 63.278 63.200 0.011 0.000 1.007 335 S HN 1.310 nan 8.310 nan 0.000 0.478 336 G N 3.014 111.805 108.800 -0.015 0.000 2.314 336 G HA2 0.010 3.970 3.960 0.001 0.000 0.292 336 G HA3 0.010 3.970 3.960 0.001 0.000 0.292 336 G C 1.144 176.101 174.900 0.096 0.000 1.059 336 G CA 0.365 45.460 45.100 -0.009 0.000 0.982 336 G HN 2.189 nan 8.290 nan 0.000 0.505 337 G N -1.448 107.386 108.800 0.056 0.000 2.168 337 G HA2 -0.286 3.675 3.960 0.001 0.000 0.257 337 G HA3 -0.286 3.675 3.960 0.001 0.000 0.257 337 G C 0.241 175.267 174.900 0.210 0.000 0.997 337 G CA 1.234 46.389 45.100 0.091 0.000 0.708 337 G HN 1.360 nan 8.290 nan 0.000 0.520 338 H N -1.928 117.130 119.070 -0.019 0.000 2.907 338 H HA 0.692 5.249 4.556 0.001 0.000 0.361 338 H C -1.084 174.266 175.328 0.038 0.000 1.194 338 H CA -1.025 55.036 56.048 0.021 0.000 1.152 338 H CB 2.050 31.828 29.762 0.025 0.000 1.867 338 H HN 0.076 nan 8.280 nan 0.000 0.561 339 L N 2.626 123.955 121.223 0.176 0.000 2.408 339 L HA 0.355 4.696 4.340 0.001 0.000 0.268 339 L C -2.503 174.476 176.870 0.183 0.000 0.986 339 L CA -2.181 52.768 54.840 0.182 0.000 0.820 339 L CB 1.942 44.106 42.059 0.176 0.000 1.303 339 L HN 0.412 nan 8.230 nan 0.000 0.411 340 P HA 0.230 nan 4.420 nan 0.000 0.285 340 P C -0.675 176.730 177.300 0.175 0.000 1.259 340 P CA -0.300 62.888 63.100 0.147 0.000 0.794 340 P CB 1.086 32.842 31.700 0.093 0.000 0.940 341 V N 6.335 126.323 119.914 0.123 0.000 2.530 341 V HA 0.172 4.292 4.120 0.001 0.000 0.282 341 V C -1.757 174.396 176.094 0.098 0.000 1.048 341 V CA -1.334 61.033 62.300 0.112 0.000 0.997 341 V CB 0.231 32.096 31.823 0.070 0.000 0.987 341 V HN 0.556 nan 8.190 nan 0.000 0.477 342 P HA 0.145 nan 4.420 nan 0.000 0.268 342 P C 0.741 178.070 177.300 0.049 0.000 1.205 342 P CA 0.000 63.140 63.100 0.066 0.000 0.771 342 P CB 0.551 32.295 31.700 0.073 0.000 0.858 343 T N -1.304 113.268 114.554 0.030 0.000 3.015 343 T HA 0.211 4.562 4.350 0.001 0.000 0.250 343 T C 1.065 175.785 174.700 0.034 0.000 1.057 343 T CA 0.160 62.278 62.100 0.031 0.000 1.066 343 T CB -0.465 68.415 68.868 0.020 0.000 0.959 343 T HN 0.417 nan 8.240 nan 0.000 0.488 344 G N 3.037 111.854 108.800 0.028 0.000 2.651 344 G HA2 0.507 4.468 3.960 0.001 0.000 0.260 344 G HA3 0.507 4.468 3.960 0.001 0.000 0.260 344 G C -2.620 172.317 174.900 0.061 0.000 1.216 344 G CA -1.306 43.815 45.100 0.034 0.000 0.913 344 G HN 0.209 nan 8.290 nan 0.000 0.535 345 P HA 0.288 nan 4.420 nan 0.000 0.272 345 P C 0.979 178.358 177.300 0.132 0.000 1.223 345 P CA 0.994 64.151 63.100 0.095 0.000 0.784 345 P CB 0.679 32.430 31.700 0.085 0.000 0.923 346 G N 1.421 110.343 108.800 0.204 0.000 2.574 346 G HA2 -0.329 3.632 3.960 0.001 0.000 0.282 346 G HA3 -0.329 3.632 3.960 0.001 0.000 0.282 346 G C 0.945 175.997 174.900 0.254 0.000 1.257 346 G CA 0.277 45.580 45.100 0.339 0.000 0.956 346 G HN 0.469 nan 8.290 nan 0.000 0.560 347 L N 1.579 122.774 121.223 -0.045 0.000 2.263 347 L HA 0.087 4.428 4.340 0.001 0.000 0.216 347 L C 2.782 179.572 176.870 -0.134 0.000 1.111 347 L CA 1.711 56.324 54.840 -0.378 0.000 0.773 347 L CB -0.844 40.989 42.059 -0.377 0.000 0.906 347 L HN 2.185 nan 8.230 nan 0.000 0.439 348 G N -0.171 108.614 108.800 -0.025 0.000 2.184 348 G HA2 -0.265 3.695 3.960 0.001 0.000 0.264 348 G HA3 -0.265 3.695 3.960 0.001 0.000 0.264 348 G C 0.236 175.113 174.900 -0.038 0.000 0.975 348 G CA 0.341 45.437 45.100 -0.007 0.000 0.642 348 G HN 0.476 nan 8.290 nan 0.000 0.536 349 V N -4.036 115.844 119.914 -0.057 0.000 3.206 349 V HA 1.064 5.184 4.120 0.001 0.000 0.305 349 V C -0.252 175.781 176.094 -0.102 0.000 1.257 349 V CA -0.286 61.964 62.300 -0.084 0.000 1.057 349 V CB 1.679 33.450 31.823 -0.086 0.000 1.075 349 V HN 2.122 nan 8.190 nan 0.000 0.443 350 A N 1.710 124.440 122.820 -0.150 0.000 2.610 350 A HA 1.006 5.327 4.320 0.001 0.000 0.291 350 A C -3.349 174.052 177.584 -0.305 0.000 1.086 350 A CA -1.387 50.501 52.037 -0.249 0.000 0.677 350 A CB 1.694 20.627 19.000 -0.111 0.000 1.278 350 A HN 0.780 nan 8.150 nan 0.000 0.414 351 P HA 0.465 nan 4.420 nan 0.000 0.279 351 P C -0.810 176.352 177.300 -0.231 0.000 1.239 351 P CA 0.134 62.981 63.100 -0.423 0.000 0.789 351 P CB 0.414 31.709 31.700 -0.674 0.000 0.933 352 I N 5.909 126.377 120.570 -0.169 0.000 2.281 352 I HA 0.139 4.310 4.170 0.001 0.000 0.293 352 I C -1.212 174.856 176.117 -0.081 0.000 1.085 352 I CA -2.039 59.201 61.300 -0.101 0.000 1.257 352 I CB 1.057 39.006 38.000 -0.085 0.000 1.430 352 I HN 0.259 nan 8.210 nan 0.000 0.489 353 P HA -0.248 nan 4.420 nan 0.000 0.219 353 P C 1.081 178.371 177.300 -0.016 0.000 1.158 353 P CA 1.573 64.665 63.100 -0.015 0.000 0.895 353 P CB 0.255 31.962 31.700 0.012 0.000 0.792 354 E N -0.939 119.249 120.200 -0.020 0.000 2.150 354 E HA -0.092 4.258 4.350 0.001 0.000 0.193 354 E C 2.115 178.700 176.600 -0.025 0.000 0.985 354 E CA 0.772 57.162 56.400 -0.016 0.000 0.814 354 E CB -0.817 28.875 29.700 -0.014 0.000 0.752 354 E HN 0.232 nan 8.360 nan 0.000 0.466 355 L N 0.179 121.377 121.223 -0.041 0.000 2.044 355 L HA -0.107 4.233 4.340 0.001 0.000 0.205 355 L C 2.427 179.262 176.870 -0.059 0.000 1.075 355 L CA 0.825 55.634 54.840 -0.052 0.000 0.747 355 L CB -0.456 41.562 42.059 -0.069 0.000 0.903 355 L HN 0.231 nan 8.230 nan 0.000 0.435 356 L N 0.048 121.227 121.223 -0.073 0.000 1.989 356 L HA -0.287 4.053 4.340 0.001 0.000 0.211 356 L C 2.303 179.159 176.870 -0.024 0.000 1.071 356 L CA 1.830 56.628 54.840 -0.071 0.000 0.749 356 L CB -0.479 41.525 42.059 -0.090 0.000 0.890 356 L HN 0.374 nan 8.230 nan 0.000 0.431 357 D N -0.380 120.017 120.400 -0.005 0.000 2.149 357 D HA -0.266 4.374 4.640 0.001 0.000 0.198 357 D C 1.918 178.219 176.300 0.003 0.000 0.990 357 D CA 1.471 55.477 54.000 0.010 0.000 0.839 357 D CB -0.024 40.784 40.800 0.014 0.000 0.948 357 D HN 0.430 nan 8.370 nan 0.000 0.460 358 E N 0.730 120.925 120.200 -0.008 0.000 2.070 358 E HA -0.174 4.176 4.350 0.001 0.000 0.197 358 E C 1.995 178.592 176.600 -0.005 0.000 1.004 358 E CA 1.749 58.145 56.400 -0.006 0.000 0.805 358 E CB -0.016 29.678 29.700 -0.009 0.000 0.744 358 E HN 0.247 nan 8.360 nan 0.000 0.451 359 V N -1.720 118.183 119.914 -0.018 0.000 3.306 359 V HA 0.122 4.242 4.120 0.001 0.000 0.264 359 V C 0.835 176.928 176.094 -0.003 0.000 1.149 359 V CA 0.674 62.963 62.300 -0.018 0.000 1.143 359 V CB -0.576 31.215 31.823 -0.052 0.000 0.767 359 V HN 0.022 nan 8.190 nan 0.000 0.476 360 T N 2.460 117.018 114.554 0.007 0.000 2.888 360 T HA 0.271 4.621 4.350 0.001 0.000 0.301 360 T C 1.404 176.121 174.700 0.027 0.000 1.001 360 T CA 0.971 63.085 62.100 0.025 0.000 1.147 360 T CB 1.276 70.167 68.868 0.039 0.000 0.931 360 T HN 0.778 nan 8.240 nan 0.000 0.541 361 T N -0.130 114.443 114.554 0.032 0.000 3.042 361 T HA 0.558 4.908 4.350 0.001 0.000 0.245 361 T C 0.509 175.229 174.700 0.034 0.000 1.029 361 T CA 0.246 62.365 62.100 0.032 0.000 1.120 361 T CB 0.344 69.232 68.868 0.033 0.000 0.917 361 T HN 0.762 nan 8.240 nan 0.000 0.467 362 A N 0.070 122.913 122.820 0.038 0.000 2.589 362 A HA 0.741 5.062 4.320 0.001 0.000 0.296 362 A C -1.320 176.291 177.584 0.044 0.000 1.062 362 A CA -0.918 51.142 52.037 0.037 0.000 0.686 362 A CB 1.634 20.654 19.000 0.033 0.000 1.282 362 A HN 0.228 nan 8.150 nan 0.000 0.404 363 K N 0.376 120.802 120.400 0.044 0.000 2.469 363 K HA 0.776 5.096 4.320 0.001 0.000 0.254 363 K C -2.034 174.596 176.600 0.051 0.000 0.939 363 K CA -0.615 55.705 56.287 0.055 0.000 0.812 363 K CB 2.650 35.188 32.500 0.064 0.000 1.301 363 K HN 0.762 nan 8.250 nan 0.000 0.433 364 V N 2.520 122.469 119.914 0.059 0.000 3.077 364 V HA 0.425 4.545 4.120 0.001 0.000 0.299 364 V C -1.862 174.300 176.094 0.112 0.000 1.276 364 V CA -0.766 61.571 62.300 0.061 0.000 0.993 364 V CB 2.067 33.885 31.823 -0.010 0.000 1.076 364 V HN 0.849 nan 8.190 nan 0.000 0.434 365 W N 6.899 128.159 121.300 -0.067 0.000 2.391 365 W HA 0.593 5.254 4.660 0.001 0.000 0.311 365 W C -1.583 174.883 176.519 -0.088 0.000 1.087 365 W CA -0.776 56.524 57.345 -0.075 0.000 1.209 365 W CB 1.506 30.928 29.460 -0.062 0.000 1.273 365 W HN 0.421 nan 8.180 nan 0.000 0.482 366 I N 7.221 127.181 120.570 -1.018 0.000 2.405 366 I HA 0.319 4.489 4.170 0.001 0.000 0.280 366 I C 0.569 176.000 176.117 -1.143 0.000 1.027 366 I CA -0.149 60.649 61.300 -0.836 0.000 1.161 366 I CB 0.422 38.101 38.000 -0.536 0.000 1.300 366 I HN 0.501 nan 8.210 nan 0.000 0.463 367 G N 3.980 112.270 108.800 -0.850 0.000 3.013 367 G HA2 0.642 4.602 3.960 0.001 0.000 0.278 367 G HA3 0.642 4.602 3.960 0.001 0.000 0.278 367 G C -0.278 174.509 174.900 -0.188 0.000 1.353 367 G CA -0.364 44.474 45.100 -0.438 0.000 1.043 367 G HN 0.491 nan 8.290 nan 0.000 0.523 368 S N 0.000 115.664 115.700 -0.059 0.000 2.498 368 S HA 0.000 4.471 4.470 0.001 0.000 0.327 368 S CA 0.000 58.175 58.200 -0.041 0.000 1.107 368 S CB 0.000 63.192 63.200 -0.013 0.000 0.593 368 S HN 0.000 nan 8.310 nan 0.000 0.517