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 2zy3_1_E DATA FIRST_RESID 17 DATA SEQUENCE KDELIKIASS DGNRLMLNAG RGNPNFLATT PRRAFFRLGL FAAAESELSY DATA SEQUENCE SYMTTVGVGG LAKIDGIEGR FERYIAENRD QEGVRFLGKS LSYVRDQLGL DATA SEQUENCE DPAAFLHEMV DGILGCNYPV PPRMLNISEK IVRQYIIREM GADAIPSESV DATA SEQUENCE NLFAVEGGTA AMAYIFESLK LNGLLKAGDK VAIGMPVFTP YIEIPELAQY DATA SEQUENCE ALEEVAINAD PSLNWQYPDS ELDKLKDPAI KIFFCVNPSN PPSVKMDQRS DATA SEQUENCE LERVRNIVAE HRPDLMILTD DVYGTFADDF QSLFAICPEN TLLVYSFSKY DATA SEQUENCE FGATGWRLGV VAAHQQNVFD LALDKLQESE KVALDHRYRS LLPDVRSLKF DATA SEQUENCE IDRLVADSRA VALNHTAGLS TPQQVQMALF SLFALMDEAD EYKHTLKQLI DATA SEQUENCE RRRETTLYRE LGMPPLRDEN AVDYYTLIDL QDVTAKLYGE AFSEWAVKQS DATA SEQUENCE STGDMLFRIA DETGIVLLPG RGFGSNRPSG RASLANLNEY EYAAIGRALR DATA SEQUENCE KMADELYAEY SG 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 17 K HA 0.000 nan 4.320 nan 0.000 0.191 17 K C 0.000 176.610 176.600 0.017 0.000 0.988 17 K CA 0.000 56.297 56.287 0.018 0.000 0.838 17 K CB 0.000 32.506 32.500 0.010 0.000 1.064 18 D N 1.702 122.111 120.400 0.015 0.000 2.333 18 D HA -0.095 4.544 4.640 -0.000 0.000 0.208 18 D C 1.317 177.631 176.300 0.023 0.000 0.984 18 D CA 0.737 54.745 54.000 0.014 0.000 0.873 18 D CB 0.380 41.185 40.800 0.008 0.000 0.935 18 D HN 0.331 nan 8.370 nan 0.000 0.521 19 E N 0.558 120.779 120.200 0.034 0.000 2.285 19 E HA -0.020 4.329 4.350 -0.000 0.000 0.194 19 E C 2.262 178.905 176.600 0.073 0.000 0.997 19 E CA 0.034 56.466 56.400 0.052 0.000 0.845 19 E CB 0.033 29.767 29.700 0.057 0.000 0.782 19 E HN 0.228 nan 8.360 nan 0.000 0.491 20 L N 0.658 121.920 121.223 0.065 0.000 1.989 20 L HA -0.212 4.128 4.340 -0.000 0.000 0.211 20 L C 2.452 179.337 176.870 0.025 0.000 1.071 20 L CA 1.208 56.081 54.840 0.055 0.000 0.749 20 L CB -0.532 41.550 42.059 0.037 0.000 0.890 20 L HN 0.237 nan 8.230 nan 0.000 0.431 21 I N -0.225 120.355 120.570 0.017 0.000 2.399 21 I HA -0.308 3.862 4.170 -0.000 0.000 0.254 21 I C 2.412 178.534 176.117 0.008 0.000 1.146 21 I CA 1.400 62.703 61.300 0.005 0.000 1.412 21 I CB -0.422 37.580 38.000 0.003 0.000 1.076 21 I HN 0.293 nan 8.210 nan 0.000 0.432 22 K N 1.032 121.445 120.400 0.022 0.000 2.044 22 K HA 0.017 4.337 4.320 -0.000 0.000 0.204 22 K C 2.054 178.672 176.600 0.029 0.000 1.049 22 K CA 1.163 57.465 56.287 0.026 0.000 0.945 22 K CB -0.130 32.391 32.500 0.036 0.000 0.724 22 K HN 0.218 nan 8.250 nan 0.000 0.440 23 I N 0.962 121.560 120.570 0.046 0.000 2.614 23 I HA -0.149 4.021 4.170 -0.000 0.000 0.258 23 I C 0.592 176.698 176.117 -0.019 0.000 1.189 23 I CA 0.360 61.680 61.300 0.034 0.000 1.462 23 I CB 0.065 38.096 38.000 0.053 0.000 1.092 23 I HN 0.038 nan 8.210 nan 0.000 0.442 24 A N 0.221 123.030 122.820 -0.019 0.000 2.611 24 A HA 0.531 4.851 4.320 -0.000 0.000 0.282 24 A C -0.385 177.185 177.584 -0.024 0.000 1.114 24 A CA -0.382 51.634 52.037 -0.035 0.000 0.800 24 A CB 0.878 19.843 19.000 -0.058 0.000 1.325 24 A HN 0.007 nan 8.150 nan 0.000 0.411 25 S N 1.747 117.436 115.700 -0.019 0.000 2.462 25 S HA 0.849 5.319 4.470 -0.000 0.000 0.294 25 S C -0.236 174.352 174.600 -0.020 0.000 1.144 25 S CA 0.261 58.452 58.200 -0.016 0.000 1.088 25 S CB 0.972 64.166 63.200 -0.010 0.000 1.009 25 S HN 2.026 nan 8.310 nan 0.000 0.484 26 S N 3.142 118.830 115.700 -0.020 0.000 2.606 26 S HA 0.250 4.720 4.470 -0.000 0.000 0.290 26 S C -0.366 174.222 174.600 -0.019 0.000 1.103 26 S CA -0.591 57.596 58.200 -0.022 0.000 0.870 26 S CB 0.712 63.893 63.200 -0.031 0.000 1.077 26 S HN 0.669 nan 8.310 nan 0.000 0.448 27 D N 2.814 123.203 120.400 -0.017 0.000 2.182 27 D HA 0.054 4.694 4.640 -0.000 0.000 0.201 27 D C 1.935 178.227 176.300 -0.013 0.000 0.986 27 D CA 1.940 55.932 54.000 -0.014 0.000 0.847 27 D CB -0.335 40.457 40.800 -0.014 0.000 0.942 27 D HN 0.662 nan 8.370 nan 0.000 0.467 28 G N 0.238 109.027 108.800 -0.018 0.000 2.394 28 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.214 28 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.214 28 G C 1.653 176.546 174.900 -0.012 0.000 1.176 28 G CA 0.180 45.270 45.100 -0.016 0.000 0.786 28 G HN 0.153 nan 8.290 nan 0.000 0.533 29 N N 0.579 119.266 118.700 -0.022 0.000 2.188 29 N HA -0.034 4.706 4.740 -0.000 0.000 0.184 29 N C 2.370 177.874 175.510 -0.009 0.000 1.018 29 N CA 0.535 53.573 53.050 -0.019 0.000 0.858 29 N CB -0.185 38.285 38.487 -0.028 0.000 0.989 29 N HN 0.305 nan 8.380 nan 0.000 0.426 30 R N 0.381 120.875 120.500 -0.010 0.000 2.081 30 R HA -0.056 4.284 4.340 -0.000 0.000 0.235 30 R C 2.115 178.411 176.300 -0.006 0.000 1.131 30 R CA 0.740 56.834 56.100 -0.010 0.000 0.960 30 R CB -0.407 29.886 30.300 -0.011 0.000 0.856 30 R HN 0.097 nan 8.270 nan 0.000 0.436 31 L N 0.377 121.602 121.223 0.002 0.000 2.131 31 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 31 L C 2.077 178.964 176.870 0.029 0.000 1.092 31 L CA 1.611 56.459 54.840 0.013 0.000 0.759 31 L CB -0.136 41.938 42.059 0.026 0.000 0.903 31 L HN 0.179 nan 8.230 nan 0.000 0.435 32 M N -1.457 118.164 119.600 0.035 0.000 2.156 32 M HA -0.137 4.343 4.480 -0.000 0.000 0.264 32 M C 2.220 178.529 176.300 0.015 0.000 1.067 32 M CA 1.652 56.983 55.300 0.052 0.000 1.131 32 M CB -0.733 31.898 32.600 0.052 0.000 1.368 32 M HN 0.298 nan 8.290 nan 0.000 0.416 33 L N -0.745 120.477 121.223 -0.002 0.000 2.102 33 L HA -0.136 4.204 4.340 -0.000 0.000 0.202 33 L C 1.817 178.665 176.870 -0.036 0.000 1.076 33 L CA 1.048 55.878 54.840 -0.017 0.000 0.761 33 L CB -0.616 41.437 42.059 -0.011 0.000 0.921 33 L HN 0.384 nan 8.230 nan 0.000 0.444 34 N N -0.351 118.327 118.700 -0.037 0.000 2.457 34 N HA -0.002 4.738 4.740 -0.000 0.000 0.180 34 N C 1.107 176.560 175.510 -0.096 0.000 1.050 34 N CA 0.730 53.746 53.050 -0.056 0.000 0.906 34 N CB 0.220 38.682 38.487 -0.041 0.000 0.968 34 N HN 0.255 nan 8.380 nan 0.000 0.445 35 A N -0.263 122.502 122.820 -0.092 0.000 2.671 35 A HA 0.458 4.778 4.320 -0.000 0.000 0.265 35 A C 1.178 178.679 177.584 -0.138 0.000 1.148 35 A CA 0.217 52.158 52.037 -0.159 0.000 0.977 35 A CB 0.089 19.038 19.000 -0.085 0.000 1.242 35 A HN 0.141 nan 8.150 nan 0.000 0.591 36 G N 0.471 109.243 108.800 -0.047 0.000 2.296 36 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.282 36 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.282 36 G C 0.179 175.210 174.900 0.218 0.000 1.014 36 G CA 0.978 46.118 45.100 0.066 0.000 0.812 36 G HN 0.702 nan 8.290 nan 0.000 0.508 37 R N -0.819 119.813 120.500 0.221 0.000 2.740 37 R HA 0.614 4.954 4.340 -0.000 0.000 0.282 37 R C 0.312 176.815 176.300 0.339 0.000 0.969 37 R CA -0.274 56.031 56.100 0.341 0.000 0.918 37 R CB 1.851 32.306 30.300 0.260 0.000 1.175 37 R HN 0.271 nan 8.270 nan 0.000 0.464 38 G N 1.106 110.191 108.800 0.474 0.000 2.384 38 G HA2 0.144 4.104 3.960 -0.000 0.000 0.316 38 G HA3 0.144 4.104 3.960 -0.000 0.000 0.316 38 G C -0.739 174.282 174.900 0.201 0.000 1.160 38 G CA -0.495 44.769 45.100 0.274 0.000 0.936 38 G HN 0.544 nan 8.290 nan 0.000 0.455 39 N N 3.151 121.906 118.700 0.092 0.000 2.442 39 N HA 0.350 5.090 4.740 -0.000 0.000 0.265 39 N C -2.180 173.301 175.510 -0.050 0.000 1.138 39 N CA -1.123 51.950 53.050 0.039 0.000 0.956 39 N CB 0.972 39.466 38.487 0.012 0.000 1.067 39 N HN 0.161 nan 8.380 nan 0.000 0.474 40 P HA 0.004 nan 4.420 nan 0.000 0.266 40 P C -0.729 176.344 177.300 -0.378 0.000 1.193 40 P CA 0.345 63.172 63.100 -0.456 0.000 0.770 40 P CB 0.287 31.487 31.700 -0.833 0.000 0.836 41 N N 1.326 119.839 118.700 -0.312 0.000 2.338 41 N HA 0.217 4.957 4.740 -0.000 0.000 0.251 41 N C -0.742 174.800 175.510 0.054 0.000 1.199 41 N CA -0.565 52.439 53.050 -0.076 0.000 0.879 41 N CB -0.004 38.496 38.487 0.021 0.000 1.159 41 N HN 0.264 nan 8.380 nan 0.000 0.514 42 F N -0.160 119.835 119.950 0.075 0.000 2.613 42 F HA 0.822 5.349 4.527 -0.000 0.000 0.314 42 F C -1.525 174.347 175.800 0.120 0.000 1.075 42 F CA -1.544 56.507 58.000 0.085 0.000 0.945 42 F CB 1.118 40.159 39.000 0.068 0.000 1.310 42 F HN -0.133 nan 8.300 nan 0.000 0.467 43 L N -0.177 121.258 121.223 0.354 0.000 2.622 43 L HA 0.923 5.263 4.340 -0.000 0.000 0.258 43 L C -0.965 176.089 176.870 0.307 0.000 0.996 43 L CA -1.723 53.285 54.840 0.279 0.000 0.858 43 L CB 1.295 43.453 42.059 0.164 0.000 1.449 43 L HN 1.034 nan 8.230 nan 0.000 0.411 44 A N 0.341 123.315 122.820 0.257 0.000 2.350 44 A HA 0.533 4.853 4.320 -0.000 0.000 0.293 44 A C 1.097 178.658 177.584 -0.039 0.000 1.231 44 A CA 0.322 52.402 52.037 0.071 0.000 0.883 44 A CB -0.298 18.634 19.000 -0.114 0.000 1.133 44 A HN 1.052 nan 8.150 nan 0.000 0.533 45 T N 0.092 114.602 114.554 -0.073 0.000 2.894 45 T HA -0.106 4.244 4.350 -0.000 0.000 0.258 45 T C 1.737 176.293 174.700 -0.239 0.000 1.043 45 T CA 1.780 63.833 62.100 -0.079 0.000 1.141 45 T CB -0.639 68.233 68.868 0.008 0.000 0.873 45 T HN 0.442 nan 8.240 nan 0.000 0.449 46 T N 3.437 117.739 114.554 -0.421 0.000 2.635 46 T HA -0.048 4.302 4.350 -0.000 0.000 0.267 46 T C -0.388 173.869 174.700 -0.739 0.000 1.040 46 T CA 1.817 63.591 62.100 -0.543 0.000 1.156 46 T CB -1.329 67.157 68.868 -0.637 0.000 0.863 46 T HN 0.467 nan 8.240 nan 0.000 0.430 47 P HA -0.016 nan 4.420 nan 0.000 0.223 47 P C 1.244 178.187 177.300 -0.595 0.000 1.151 47 P CA 1.074 63.658 63.100 -0.861 0.000 0.787 47 P CB -0.046 31.177 31.700 -0.795 0.000 0.788 48 R N -0.310 119.897 120.500 -0.488 0.000 2.119 48 R HA 0.083 4.423 4.340 -0.000 0.000 0.222 48 R C 2.653 178.710 176.300 -0.405 0.000 1.088 48 R CA 0.714 56.518 56.100 -0.493 0.000 0.984 48 R CB -0.245 29.918 30.300 -0.227 0.000 0.884 48 R HN 0.114 nan 8.270 nan 0.000 0.447 49 R N 0.204 120.611 120.500 -0.154 0.000 2.090 49 R HA -0.006 4.334 4.340 -0.000 0.000 0.228 49 R C 2.212 178.541 176.300 0.048 0.000 1.110 49 R CA 1.224 57.356 56.100 0.054 0.000 0.973 49 R CB -0.146 30.181 30.300 0.045 0.000 0.869 49 R HN 0.167 nan 8.270 nan 0.000 0.440 50 A N 0.387 123.192 122.820 -0.025 0.000 1.933 50 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 50 A C 1.905 179.536 177.584 0.078 0.000 1.175 50 A CA 1.039 53.149 52.037 0.120 0.000 0.628 50 A CB -0.581 18.618 19.000 0.331 0.000 0.814 50 A HN 0.396 nan 8.150 nan 0.000 0.444 51 F N -0.266 119.533 119.950 -0.252 0.000 2.075 51 F HA -0.142 4.385 4.527 -0.000 0.000 0.297 51 F C 1.952 177.641 175.800 -0.185 0.000 1.113 51 F CA 1.885 59.688 58.000 -0.328 0.000 1.218 51 F CB -0.322 38.302 39.000 -0.628 0.000 0.984 51 F HN 0.236 nan 8.300 nan 0.000 0.472 52 F N 0.369 120.475 119.950 0.261 0.000 2.216 52 F HA -0.137 4.390 4.527 -0.000 0.000 0.300 52 F C 2.425 178.268 175.800 0.071 0.000 1.085 52 F CA 0.737 58.831 58.000 0.156 0.000 1.326 52 F CB -0.438 38.668 39.000 0.178 0.000 1.027 52 F HN -0.156 nan 8.300 nan 0.000 0.497 53 R N 0.082 120.735 120.500 0.255 0.000 2.090 53 R HA -0.102 4.238 4.340 -0.000 0.000 0.228 53 R C 2.150 178.577 176.300 0.212 0.000 1.110 53 R CA 0.892 57.148 56.100 0.260 0.000 0.973 53 R CB -0.935 29.522 30.300 0.261 0.000 0.869 53 R HN 0.308 nan 8.270 nan 0.000 0.440 54 L N 0.909 122.190 121.223 0.096 0.000 2.131 54 L HA 0.011 4.351 4.340 -0.000 0.000 0.210 54 L C 2.020 178.859 176.870 -0.053 0.000 1.092 54 L CA 1.882 56.740 54.840 0.031 0.000 0.759 54 L CB -0.815 41.206 42.059 -0.063 0.000 0.903 54 L HN 0.142 nan 8.230 nan 0.000 0.435 55 G N -0.324 108.408 108.800 -0.113 0.000 2.402 55 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 55 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 55 G C 1.570 176.438 174.900 -0.054 0.000 1.162 55 G CA 0.936 45.959 45.100 -0.127 0.000 0.777 55 G HN 0.431 nan 8.290 nan 0.000 0.539 56 L N -0.656 120.587 121.223 0.033 0.000 2.131 56 L HA 0.001 4.341 4.340 -0.000 0.000 0.210 56 L C 2.538 179.386 176.870 -0.036 0.000 1.092 56 L CA 0.854 55.722 54.840 0.048 0.000 0.759 56 L CB -0.355 41.801 42.059 0.162 0.000 0.903 56 L HN 0.268 nan 8.230 nan 0.000 0.435 57 F N 0.795 120.541 119.950 -0.341 0.000 2.206 57 F HA -0.061 4.466 4.527 -0.000 0.000 0.298 57 F C 2.361 177.985 175.800 -0.293 0.000 1.090 57 F CA 0.954 58.608 58.000 -0.578 0.000 1.323 57 F CB -0.216 38.169 39.000 -1.026 0.000 1.028 57 F HN -0.042 nan 8.300 nan 0.000 0.492 58 A N 0.384 122.971 122.820 -0.388 0.000 1.968 58 A HA 0.081 4.400 4.320 -0.000 0.000 0.217 58 A C 2.376 179.764 177.584 -0.326 0.000 1.169 58 A CA 1.326 53.111 52.037 -0.420 0.000 0.638 58 A CB -1.404 17.440 19.000 -0.260 0.000 0.812 58 A HN 0.463 nan 8.150 nan 0.000 0.446 59 A N -0.078 122.606 122.820 -0.226 0.000 1.930 59 A HA 0.216 4.536 4.320 -0.000 0.000 0.217 59 A C 2.443 179.927 177.584 -0.166 0.000 1.175 59 A CA 1.811 53.754 52.037 -0.156 0.000 0.627 59 A CB -0.826 18.118 19.000 -0.093 0.000 0.815 59 A HN 0.941 nan 8.150 nan 0.000 0.443 60 A N -0.452 122.242 122.820 -0.210 0.000 1.898 60 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 60 A C 1.926 179.370 177.584 -0.232 0.000 1.181 60 A CA 1.510 53.441 52.037 -0.177 0.000 0.620 60 A CB -0.388 18.525 19.000 -0.145 0.000 0.819 60 A HN 0.429 nan 8.150 nan 0.000 0.442 61 E N -0.095 119.861 120.200 -0.407 0.000 2.110 61 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 61 E C 2.291 178.778 176.600 -0.189 0.000 0.988 61 E CA 1.312 57.498 56.400 -0.356 0.000 0.804 61 E CB -0.408 28.986 29.700 -0.510 0.000 0.745 61 E HN 0.576 nan 8.360 nan 0.000 0.458 62 S N 0.619 116.216 115.700 -0.170 0.000 2.357 62 S HA -0.137 4.333 4.470 -0.000 0.000 0.221 62 S C 1.720 176.297 174.600 -0.038 0.000 1.031 62 S CA 1.001 59.145 58.200 -0.093 0.000 0.982 62 S CB -0.007 63.132 63.200 -0.101 0.000 0.853 62 S HN 0.216 nan 8.310 nan 0.000 0.458 63 E N 0.646 120.817 120.200 -0.048 0.000 2.265 63 E HA -0.060 4.290 4.350 -0.000 0.000 0.196 63 E C 1.885 178.502 176.600 0.029 0.000 0.996 63 E CA 0.851 57.253 56.400 0.004 0.000 0.832 63 E CB -0.222 29.469 29.700 -0.014 0.000 0.756 63 E HN 0.507 nan 8.360 nan 0.000 0.491 64 L N 0.297 121.512 121.223 -0.013 0.000 2.291 64 L HA -0.088 4.252 4.340 -0.000 0.000 0.214 64 L C 1.924 178.794 176.870 -0.001 0.000 1.120 64 L CA 0.617 55.450 54.840 -0.013 0.000 0.799 64 L CB 0.053 42.090 42.059 -0.037 0.000 0.925 64 L HN 0.019 nan 8.230 nan 0.000 0.446 65 S N -1.910 113.801 115.700 0.020 0.000 2.575 65 S HA 0.028 4.498 4.470 -0.000 0.000 0.215 65 S C 0.186 174.830 174.600 0.073 0.000 0.966 65 S CA -0.262 57.955 58.200 0.028 0.000 0.911 65 S CB -0.051 63.168 63.200 0.032 0.000 0.780 65 S HN 0.197 nan 8.310 nan 0.000 0.514 66 Y N 2.472 122.757 120.300 -0.025 0.000 2.404 66 Y HA 0.279 4.829 4.550 -0.000 0.000 0.344 66 Y C 1.045 176.913 175.900 -0.054 0.000 0.995 66 Y CA -0.991 57.113 58.100 0.007 0.000 1.201 66 Y CB 0.594 39.076 38.460 0.036 0.000 1.151 66 Y HN -0.044 nan 8.280 nan 0.000 0.517 67 S N 4.588 119.889 115.700 -0.666 0.000 2.603 67 S HA 0.075 4.545 4.470 -0.000 0.000 0.220 67 S C -0.711 173.278 174.600 -1.019 0.000 0.967 67 S CA 0.193 57.918 58.200 -0.792 0.000 0.920 67 S CB -0.296 62.369 63.200 -0.892 0.000 0.773 67 S HN 0.537 nan 8.310 nan 0.000 0.529 68 Y N 0.111 120.022 120.300 -0.649 0.000 2.587 68 Y HA 0.544 5.094 4.550 -0.000 0.000 0.337 68 Y C 0.194 176.067 175.900 -0.046 0.000 1.065 68 Y CA -1.295 56.617 58.100 -0.313 0.000 1.126 68 Y CB 0.662 38.933 38.460 -0.314 0.000 1.279 68 Y HN -0.082 nan 8.280 nan 0.000 0.489 69 M N 2.807 122.513 119.600 0.178 0.000 2.094 69 M HA 0.344 4.823 4.480 -0.000 0.000 0.348 69 M C -0.898 175.506 176.300 0.174 0.000 1.267 69 M CA -0.010 55.376 55.300 0.143 0.000 1.125 69 M CB 0.164 32.814 32.600 0.084 0.000 1.527 69 M HN 0.812 nan 8.290 nan 0.000 0.447 70 T N -1.623 113.045 114.554 0.190 0.000 2.868 70 T HA 0.421 4.771 4.350 -0.000 0.000 0.306 70 T C 0.193 174.945 174.700 0.087 0.000 1.224 70 T CA -0.838 61.346 62.100 0.140 0.000 1.012 70 T CB 1.778 70.750 68.868 0.172 0.000 1.221 70 T HN 0.369 nan 8.240 nan 0.000 0.499 71 T N 0.846 115.428 114.554 0.047 0.000 3.054 71 T HA 0.146 4.496 4.350 -0.000 0.000 0.255 71 T C 1.887 176.588 174.700 0.002 0.000 1.035 71 T CA 0.112 62.226 62.100 0.024 0.000 0.941 71 T CB 0.010 68.889 68.868 0.018 0.000 1.026 71 T HN 0.520 nan 8.240 nan 0.000 0.533 72 V N 1.066 120.978 119.914 -0.004 0.000 2.594 72 V HA 0.125 4.245 4.120 -0.000 0.000 0.253 72 V C 1.647 177.705 176.094 -0.060 0.000 1.069 72 V CA 1.137 63.419 62.300 -0.030 0.000 1.082 72 V CB -1.303 30.500 31.823 -0.034 0.000 0.680 72 V HN 0.666 nan 8.190 nan 0.000 0.469 73 G N 0.362 109.113 108.800 -0.081 0.000 2.871 73 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.262 73 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.262 73 G C -0.582 174.203 174.900 -0.193 0.000 1.126 73 G CA -0.162 44.872 45.100 -0.110 0.000 1.130 73 G HN 0.463 nan 8.290 nan 0.000 0.549 74 V N 0.381 120.087 119.914 -0.346 0.000 2.604 74 V HA 0.961 5.081 4.120 -0.000 0.000 0.305 74 V C 0.897 176.630 176.094 -0.602 0.000 1.043 74 V CA 0.010 61.965 62.300 -0.574 0.000 0.888 74 V CB 1.859 33.052 31.823 -1.049 0.000 0.995 74 V HN 1.155 nan 8.190 nan 0.000 0.429 75 G N 1.671 110.267 108.800 -0.340 0.000 2.644 75 G HA2 0.802 4.762 3.960 -0.000 0.000 0.307 75 G HA3 0.802 4.762 3.960 -0.000 0.000 0.307 75 G C -0.242 174.657 174.900 -0.002 0.000 1.250 75 G CA -0.182 44.836 45.100 -0.137 0.000 0.996 75 G HN 1.045 nan 8.290 nan 0.000 0.489 76 G N -1.552 107.299 108.800 0.085 0.000 3.075 76 G HA2 0.577 4.537 3.960 -0.000 0.000 0.253 76 G HA3 0.577 4.537 3.960 -0.000 0.000 0.253 76 G C -0.759 174.160 174.900 0.032 0.000 1.353 76 G CA -0.988 44.179 45.100 0.111 0.000 1.051 76 G HN 0.610 nan 8.290 nan 0.000 0.553 77 L N 0.850 122.092 121.223 0.033 0.000 2.312 77 L HA 0.552 4.892 4.340 -0.000 0.000 0.281 77 L C 0.928 177.809 176.870 0.017 0.000 1.070 77 L CA -0.804 54.044 54.840 0.014 0.000 0.805 77 L CB 1.522 43.601 42.059 0.032 0.000 1.174 77 L HN 0.571 nan 8.230 nan 0.000 0.434 78 A N 3.905 126.724 122.820 -0.001 0.000 2.520 78 A HA 0.260 4.580 4.320 -0.000 0.000 0.245 78 A C -0.183 177.492 177.584 0.152 0.000 1.072 78 A CA -0.283 51.761 52.037 0.011 0.000 0.761 78 A CB 0.009 18.963 19.000 -0.077 0.000 1.004 78 A HN 0.529 nan 8.150 nan 0.000 0.499 79 K N 2.750 123.189 120.400 0.065 0.000 2.201 79 K HA 0.232 4.552 4.320 -0.000 0.000 0.278 79 K C 0.895 177.468 176.600 -0.046 0.000 1.027 79 K CA -0.394 55.895 56.287 0.004 0.000 0.909 79 K CB 1.541 34.028 32.500 -0.020 0.000 1.062 79 K HN 0.726 nan 8.250 nan 0.000 0.465 80 I N 1.063 121.462 120.570 -0.286 0.000 2.394 80 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 80 I C -0.295 175.754 176.117 -0.112 0.000 1.136 80 I CA 0.903 62.011 61.300 -0.320 0.000 1.425 80 I CB 0.217 37.868 38.000 -0.582 0.000 1.079 80 I HN 0.582 nan 8.210 nan 0.000 0.425 81 D N 1.289 121.634 120.400 -0.091 0.000 2.493 81 D HA 0.272 4.912 4.640 -0.000 0.000 0.240 81 D C 1.060 177.358 176.300 -0.004 0.000 1.142 81 D CA 1.415 55.390 54.000 -0.041 0.000 0.872 81 D CB 0.454 41.232 40.800 -0.038 0.000 1.173 81 D HN 0.477 nan 8.370 nan 0.000 0.467 82 G N 2.252 111.060 108.800 0.013 0.000 2.168 82 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.263 82 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.263 82 G C 1.012 175.960 174.900 0.081 0.000 0.977 82 G CA 0.380 45.505 45.100 0.041 0.000 0.659 82 G HN 0.620 nan 8.290 nan 0.000 0.533 83 I N 0.126 120.746 120.570 0.082 0.000 2.286 83 I HA -0.127 4.043 4.170 -0.000 0.000 0.248 83 I C 2.580 178.809 176.117 0.188 0.000 1.115 83 I CA 2.275 63.667 61.300 0.152 0.000 1.392 83 I CB -0.101 37.976 38.000 0.128 0.000 1.065 83 I HN 0.495 nan 8.210 nan 0.000 0.418 84 E N 0.303 120.574 120.200 0.119 0.000 2.038 84 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 84 E C 2.129 178.836 176.600 0.178 0.000 1.000 84 E CA 1.322 57.802 56.400 0.133 0.000 0.803 84 E CB -0.500 29.251 29.700 0.084 0.000 0.750 84 E HN 0.670 nan 8.360 nan 0.000 0.448 85 G N 1.154 110.033 108.800 0.132 0.000 2.446 85 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 85 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 85 G C 1.540 176.528 174.900 0.146 0.000 1.168 85 G CA 0.729 45.899 45.100 0.116 0.000 0.771 85 G HN 0.087 nan 8.290 nan 0.000 0.551 86 R N -0.825 119.794 120.500 0.198 0.000 2.073 86 R HA -0.026 4.314 4.340 -0.000 0.000 0.234 86 R C 2.351 178.819 176.300 0.281 0.000 1.134 86 R CA 1.312 57.572 56.100 0.267 0.000 0.952 86 R CB -0.635 29.862 30.300 0.328 0.000 0.850 86 R HN 0.420 nan 8.270 nan 0.000 0.433 87 F N 2.235 122.214 119.950 0.048 0.000 2.161 87 F HA -0.200 4.327 4.527 -0.000 0.000 0.300 87 F C 1.954 177.653 175.800 -0.168 0.000 1.089 87 F CA 1.623 59.386 58.000 -0.395 0.000 1.282 87 F CB -0.019 38.783 39.000 -0.331 0.000 1.010 87 F HN -0.011 nan 8.300 nan 0.000 0.485 88 E N -0.161 120.077 120.200 0.064 0.000 2.106 88 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 88 E C 2.381 178.938 176.600 -0.071 0.000 0.984 88 E CA 0.967 57.360 56.400 -0.012 0.000 0.806 88 E CB -0.214 29.535 29.700 0.081 0.000 0.750 88 E HN 0.321 nan 8.360 nan 0.000 0.458 89 R N -0.222 120.276 120.500 -0.004 0.000 2.075 89 R HA -0.185 4.155 4.340 -0.000 0.000 0.232 89 R C 2.216 178.500 176.300 -0.028 0.000 1.126 89 R CA 1.327 57.430 56.100 0.006 0.000 0.963 89 R CB -0.352 29.988 30.300 0.067 0.000 0.858 89 R HN 0.252 nan 8.270 nan 0.000 0.435 90 Y N 1.361 121.546 120.300 -0.191 0.000 2.128 90 Y HA -0.253 4.297 4.550 -0.000 0.000 0.284 90 Y C 2.071 177.772 175.900 -0.331 0.000 1.154 90 Y CA 1.642 59.593 58.100 -0.249 0.000 1.149 90 Y CB -0.209 37.991 38.460 -0.433 0.000 0.976 90 Y HN 0.022 nan 8.280 nan 0.000 0.505 91 I N 0.406 120.713 120.570 -0.438 0.000 2.208 91 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 91 I C 2.664 178.605 176.117 -0.293 0.000 1.097 91 I CA 1.589 62.618 61.300 -0.452 0.000 1.363 91 I CB -2.062 35.652 38.000 -0.476 0.000 1.051 91 I HN 0.364 nan 8.210 nan 0.000 0.413 92 A N 0.012 122.709 122.820 -0.206 0.000 1.930 92 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 92 A C 2.235 179.734 177.584 -0.143 0.000 1.175 92 A CA 1.493 53.448 52.037 -0.135 0.000 0.627 92 A CB -0.531 18.419 19.000 -0.083 0.000 0.815 92 A HN 0.328 nan 8.150 nan 0.000 0.443 93 E N 0.487 120.585 120.200 -0.170 0.000 2.347 93 E HA -0.039 4.311 4.350 -0.000 0.000 0.196 93 E C 0.153 176.631 176.600 -0.203 0.000 1.008 93 E CA 0.722 57.030 56.400 -0.154 0.000 0.852 93 E CB 0.003 29.629 29.700 -0.124 0.000 0.783 93 E HN 0.579 nan 8.360 nan 0.000 0.505 94 N N -0.179 118.342 118.700 -0.299 0.000 2.497 94 N HA 0.121 4.861 4.740 -0.000 0.000 0.284 94 N C 0.199 175.589 175.510 -0.199 0.000 1.459 94 N CA -0.057 52.822 53.050 -0.285 0.000 0.899 94 N CB 0.566 38.767 38.487 -0.476 0.000 1.316 94 N HN 0.069 nan 8.380 nan 0.000 0.500 95 R N 0.693 121.108 120.500 -0.143 0.000 2.200 95 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 95 R C 0.949 177.217 176.300 -0.054 0.000 1.127 95 R CA 1.299 57.345 56.100 -0.090 0.000 0.989 95 R CB -0.087 30.174 30.300 -0.066 0.000 0.869 95 R HN 0.314 nan 8.270 nan 0.000 0.459 96 D N 0.462 120.830 120.400 -0.054 0.000 2.349 96 D HA -0.088 4.552 4.640 -0.000 0.000 0.224 96 D C -0.059 176.230 176.300 -0.018 0.000 1.029 96 D CA 0.278 54.261 54.000 -0.028 0.000 0.879 96 D CB 0.090 40.875 40.800 -0.026 0.000 0.906 96 D HN 0.215 nan 8.370 nan 0.000 0.528 97 Q N 0.788 120.569 119.800 -0.031 0.000 2.325 97 Q HA 0.185 4.525 4.340 -0.000 0.000 0.262 97 Q C 0.619 176.630 176.000 0.018 0.000 0.968 97 Q CA -0.444 55.355 55.803 -0.007 0.000 0.877 97 Q CB 2.517 31.241 28.738 -0.022 0.000 1.253 97 Q HN 0.070 nan 8.270 nan 0.000 0.448 98 E N 2.852 123.076 120.200 0.040 0.000 2.070 98 E HA -0.250 4.100 4.350 -0.000 0.000 0.197 98 E C 1.674 178.332 176.600 0.097 0.000 1.004 98 E CA 1.662 58.100 56.400 0.064 0.000 0.805 98 E CB -0.020 29.711 29.700 0.052 0.000 0.744 98 E HN 0.955 nan 8.360 nan 0.000 0.451 99 G N 0.465 109.319 108.800 0.090 0.000 2.440 99 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 99 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 99 G C 1.673 176.684 174.900 0.186 0.000 1.154 99 G CA 1.081 46.261 45.100 0.134 0.000 0.767 99 G HN 0.242 nan 8.290 nan 0.000 0.552 100 V N 0.432 120.407 119.914 0.102 0.000 2.343 100 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 100 V C 2.867 178.979 176.094 0.030 0.000 1.051 100 V CA 2.187 64.506 62.300 0.032 0.000 1.036 100 V CB -0.501 31.244 31.823 -0.129 0.000 0.654 100 V HN 0.291 nan 8.190 nan 0.000 0.451 101 R N -1.106 119.427 120.500 0.056 0.000 2.091 101 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 101 R C 2.150 178.524 176.300 0.124 0.000 1.136 101 R CA 1.967 58.107 56.100 0.066 0.000 0.959 101 R CB -0.443 29.906 30.300 0.082 0.000 0.856 101 R HN 0.522 nan 8.270 nan 0.000 0.437 102 F N 0.843 120.825 119.950 0.054 0.000 2.102 102 F HA -0.136 4.391 4.527 -0.000 0.000 0.298 102 F C 1.703 177.572 175.800 0.114 0.000 1.105 102 F CA 1.389 59.438 58.000 0.083 0.000 1.239 102 F CB -0.216 38.824 39.000 0.067 0.000 0.991 102 F HN -0.056 nan 8.300 nan 0.000 0.474 103 L N -0.347 120.938 121.223 0.102 0.000 2.079 103 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 103 L C 2.744 179.741 176.870 0.211 0.000 1.081 103 L CA 1.390 56.317 54.840 0.144 0.000 0.752 103 L CB -1.568 40.661 42.059 0.284 0.000 0.896 103 L HN 0.341 nan 8.230 nan 0.000 0.433 104 G N -0.204 108.667 108.800 0.118 0.000 2.402 104 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.216 104 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.216 104 G C 1.710 176.665 174.900 0.091 0.000 1.162 104 G CA 0.440 45.622 45.100 0.136 0.000 0.777 104 G HN 0.286 nan 8.290 nan 0.000 0.539 105 K N 0.822 121.216 120.400 -0.009 0.000 2.097 105 K HA -0.063 4.257 4.320 -0.000 0.000 0.205 105 K C 2.982 179.538 176.600 -0.073 0.000 1.050 105 K CA 1.340 57.605 56.287 -0.036 0.000 0.938 105 K CB -0.106 32.360 32.500 -0.056 0.000 0.718 105 K HN 0.453 nan 8.250 nan 0.000 0.442 106 S N 1.359 116.938 115.700 -0.201 0.000 2.423 106 S HA -0.137 4.333 4.470 -0.000 0.000 0.231 106 S C 2.001 176.592 174.600 -0.015 0.000 1.014 106 S CA 0.796 58.893 58.200 -0.172 0.000 0.965 106 S CB -0.308 62.716 63.200 -0.294 0.000 0.785 106 S HN 0.219 nan 8.310 nan 0.000 0.495 107 L N 2.088 123.374 121.223 0.106 0.000 2.046 107 L HA 0.037 4.377 4.340 -0.000 0.000 0.208 107 L C 2.615 179.493 176.870 0.012 0.000 1.077 107 L CA 2.192 57.108 54.840 0.126 0.000 0.747 107 L CB -1.302 40.874 42.059 0.195 0.000 0.896 107 L HN 0.442 nan 8.230 nan 0.000 0.432 108 S N -1.897 113.825 115.700 0.037 0.000 2.383 108 S HA -0.255 4.215 4.470 -0.000 0.000 0.227 108 S C 2.077 176.666 174.600 -0.019 0.000 1.026 108 S CA 1.198 59.405 58.200 0.012 0.000 0.981 108 S CB -0.649 62.571 63.200 0.033 0.000 0.818 108 S HN 0.631 nan 8.310 nan 0.000 0.472 109 Y N 2.041 122.269 120.300 -0.121 0.000 2.089 109 Y HA -0.132 4.418 4.550 -0.000 0.000 0.282 109 Y C 2.301 178.091 175.900 -0.184 0.000 1.139 109 Y CA 2.041 60.062 58.100 -0.130 0.000 1.123 109 Y CB -0.700 37.681 38.460 -0.133 0.000 0.980 109 Y HN 0.120 nan 8.280 nan 0.000 0.493 110 V N 1.184 120.990 119.914 -0.181 0.000 2.332 110 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 110 V C 2.586 178.507 176.094 -0.289 0.000 1.055 110 V CA 2.399 64.474 62.300 -0.375 0.000 1.038 110 V CB -0.719 30.529 31.823 -0.958 0.000 0.651 110 V HN 0.381 nan 8.190 nan 0.000 0.450 111 R N -0.182 120.192 120.500 -0.210 0.000 2.080 111 R HA -0.096 4.244 4.340 -0.000 0.000 0.222 111 R C 1.796 178.024 176.300 -0.120 0.000 1.107 111 R CA 1.683 57.708 56.100 -0.125 0.000 0.980 111 R CB -0.199 30.065 30.300 -0.059 0.000 0.879 111 R HN 0.514 nan 8.270 nan 0.000 0.439 112 D N -0.107 120.213 120.400 -0.132 0.000 2.262 112 D HA -0.050 4.590 4.640 -0.000 0.000 0.212 112 D C 1.908 178.099 176.300 -0.181 0.000 0.964 112 D CA 0.680 54.606 54.000 -0.123 0.000 0.875 112 D CB 0.179 40.929 40.800 -0.083 0.000 0.996 112 D HN 0.152 nan 8.370 nan 0.000 0.497 113 Q N 0.021 119.633 119.800 -0.313 0.000 2.259 113 Q HA 0.193 4.533 4.340 -0.000 0.000 0.201 113 Q C 2.325 178.101 176.000 -0.374 0.000 0.938 113 Q CA 0.325 55.883 55.803 -0.409 0.000 0.872 113 Q CB 0.343 28.628 28.738 -0.756 0.000 0.971 113 Q HN 0.302 nan 8.270 nan 0.000 0.494 114 L N -0.693 120.297 121.223 -0.389 0.000 2.529 114 L HA 0.231 4.571 4.340 -0.000 0.000 0.223 114 L C 1.004 177.781 176.870 -0.155 0.000 1.113 114 L CA 0.476 55.170 54.840 -0.244 0.000 0.861 114 L CB -0.090 41.842 42.059 -0.211 0.000 1.012 114 L HN 0.326 nan 8.230 nan 0.000 0.461 115 G N 1.108 109.817 108.800 -0.152 0.000 2.179 115 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.257 115 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.257 115 G C 0.308 175.162 174.900 -0.076 0.000 1.010 115 G CA 0.210 45.251 45.100 -0.099 0.000 0.736 115 G HN 0.241 nan 8.290 nan 0.000 0.513 116 L N -0.505 120.664 121.223 -0.090 0.000 2.479 116 L HA 0.454 4.794 4.340 -0.000 0.000 0.249 116 L C 0.799 177.650 176.870 -0.031 0.000 1.178 116 L CA -0.769 54.038 54.840 -0.055 0.000 0.811 116 L CB 0.304 42.325 42.059 -0.064 0.000 1.187 116 L HN 0.146 nan 8.230 nan 0.000 0.480 117 D N 1.351 121.753 120.400 0.004 0.000 2.358 117 D HA 0.069 4.709 4.640 -0.000 0.000 0.258 117 D C -1.482 174.854 176.300 0.060 0.000 1.223 117 D CA -1.742 52.271 54.000 0.023 0.000 0.886 117 D CB 1.095 41.912 40.800 0.027 0.000 1.120 117 D HN 0.170 nan 8.370 nan 0.000 0.482 118 P HA -0.184 nan 4.420 nan 0.000 0.215 118 P C 0.934 178.283 177.300 0.082 0.000 1.153 118 P CA 1.173 64.322 63.100 0.083 0.000 0.853 118 P CB 0.177 31.902 31.700 0.041 0.000 0.788 119 A N 0.524 123.370 122.820 0.044 0.000 1.897 119 A HA 0.065 4.385 4.320 -0.000 0.000 0.215 119 A C 2.552 180.160 177.584 0.041 0.000 1.181 119 A CA 1.860 53.911 52.037 0.023 0.000 0.620 119 A CB -1.520 17.484 19.000 0.008 0.000 0.821 119 A HN 0.214 nan 8.150 nan 0.000 0.443 120 A N -0.690 122.165 122.820 0.059 0.000 1.883 120 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 120 A C 2.051 179.698 177.584 0.105 0.000 1.186 120 A CA 1.824 53.909 52.037 0.080 0.000 0.624 120 A CB -0.815 18.228 19.000 0.072 0.000 0.822 120 A HN 0.758 nan 8.150 nan 0.000 0.444 121 F N 0.685 120.618 119.950 -0.028 0.000 2.069 121 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 121 F C 1.929 177.673 175.800 -0.094 0.000 1.113 121 F CA 1.791 59.756 58.000 -0.058 0.000 1.214 121 F CB -0.604 38.349 39.000 -0.079 0.000 0.978 121 F HN 0.147 nan 8.300 nan 0.000 0.474 122 L N -0.422 120.547 121.223 -0.423 0.000 2.012 122 L HA -0.301 4.039 4.340 -0.000 0.000 0.210 122 L C 2.789 179.469 176.870 -0.317 0.000 1.073 122 L CA 1.951 56.451 54.840 -0.567 0.000 0.748 122 L CB -1.188 40.632 42.059 -0.398 0.000 0.891 122 L HN 0.330 nan 8.230 nan 0.000 0.431 123 H N 0.018 118.959 119.070 -0.214 0.000 2.353 123 H HA -0.225 4.331 4.556 -0.000 0.000 0.300 123 H C 2.216 177.449 175.328 -0.158 0.000 1.090 123 H CA 1.950 57.912 56.048 -0.144 0.000 1.327 123 H CB 0.323 30.035 29.762 -0.083 0.000 1.383 123 H HN 0.419 nan 8.280 nan 0.000 0.508 124 E N -0.229 119.866 120.200 -0.175 0.000 2.153 124 E HA -0.148 4.202 4.350 -0.000 0.000 0.194 124 E C 2.119 178.560 176.600 -0.264 0.000 0.988 124 E CA 0.765 57.055 56.400 -0.183 0.000 0.811 124 E CB 0.207 29.870 29.700 -0.062 0.000 0.746 124 E HN 0.389 nan 8.360 nan 0.000 0.466 125 M N 0.057 119.427 119.600 -0.383 0.000 2.193 125 M HA -0.083 4.397 4.480 -0.000 0.000 0.265 125 M C 2.338 178.457 176.300 -0.302 0.000 1.071 125 M CA 0.763 55.841 55.300 -0.369 0.000 1.140 125 M CB -0.444 31.825 32.600 -0.552 0.000 1.369 125 M HN 0.095 nan 8.290 nan 0.000 0.423 126 V N 0.479 120.211 119.914 -0.303 0.000 2.323 126 V HA -0.241 3.878 4.120 -0.000 0.000 0.244 126 V C 1.958 177.868 176.094 -0.307 0.000 1.041 126 V CA 2.141 64.285 62.300 -0.261 0.000 1.025 126 V CB -0.722 30.977 31.823 -0.207 0.000 0.656 126 V HN 0.355 nan 8.190 nan 0.000 0.451 127 D N 0.111 120.260 120.400 -0.419 0.000 2.178 127 D HA -0.077 4.563 4.640 -0.000 0.000 0.202 127 D C 2.154 178.311 176.300 -0.238 0.000 0.974 127 D CA 1.304 55.079 54.000 -0.374 0.000 0.841 127 D CB -0.273 40.203 40.800 -0.539 0.000 0.953 127 D HN 0.350 nan 8.370 nan 0.000 0.478 128 G N 0.515 109.180 108.800 -0.224 0.000 2.421 128 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 128 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 128 G C 1.677 176.498 174.900 -0.133 0.000 1.171 128 G CA 0.435 45.445 45.100 -0.150 0.000 0.775 128 G HN 0.392 nan 8.290 nan 0.000 0.543 129 I N 0.296 120.750 120.570 -0.193 0.000 2.676 129 I HA 0.052 4.222 4.170 -0.000 0.000 0.259 129 I C 2.256 178.278 176.117 -0.157 0.000 1.194 129 I CA 0.391 61.558 61.300 -0.222 0.000 1.473 129 I CB 0.109 37.850 38.000 -0.432 0.000 1.096 129 I HN 0.111 nan 8.210 nan 0.000 0.443 130 L N 0.709 121.838 121.223 -0.157 0.000 2.395 130 L HA 0.060 4.400 4.340 -0.000 0.000 0.218 130 L C 1.457 178.272 176.870 -0.091 0.000 1.130 130 L CA 0.631 55.395 54.840 -0.126 0.000 0.826 130 L CB -0.827 41.146 42.059 -0.144 0.000 0.941 130 L HN 0.444 nan 8.230 nan 0.000 0.451 131 G N 0.452 109.201 108.800 -0.085 0.000 2.395 131 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.300 131 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.300 131 G C 0.672 175.511 174.900 -0.101 0.000 0.998 131 G CA 0.463 45.521 45.100 -0.071 0.000 1.046 131 G HN 0.643 nan 8.290 nan 0.000 0.513 132 C N -2.020 117.212 119.300 -0.113 0.000 3.183 132 C HA 0.521 4.981 4.460 -0.000 0.000 0.285 132 C C 0.465 175.376 174.990 -0.131 0.000 1.313 132 C CA -1.338 57.611 59.018 -0.115 0.000 1.711 132 C CB -0.372 27.315 27.740 -0.088 0.000 2.135 132 C HN 0.438 nan 8.230 nan 0.000 0.651 133 N N 0.051 118.668 118.700 -0.139 0.000 2.249 133 N HA 0.368 5.108 4.740 -0.000 0.000 0.296 133 N C -1.503 173.927 175.510 -0.134 0.000 1.051 133 N CA -0.248 52.734 53.050 -0.113 0.000 0.815 133 N CB 1.320 39.786 38.487 -0.036 0.000 1.487 133 N HN 0.275 nan 8.380 nan 0.000 0.475 134 Y N 1.211 121.517 120.300 0.010 0.000 2.702 134 Y HA 0.054 4.604 4.550 -0.000 0.000 0.336 134 Y C -1.442 174.470 175.900 0.020 0.000 1.235 134 Y CA -0.302 57.810 58.100 0.021 0.000 1.492 134 Y CB -0.168 38.308 38.460 0.026 0.000 1.308 134 Y HN 0.316 nan 8.280 nan 0.000 0.589 135 P HA 0.102 nan 4.420 nan 0.000 0.267 135 P C -1.174 176.195 177.300 0.115 0.000 1.205 135 P CA 0.184 63.353 63.100 0.114 0.000 0.765 135 P CB 0.716 32.486 31.700 0.117 0.000 0.828 136 V N 5.797 125.758 119.914 0.079 0.000 2.711 136 V HA 0.447 4.567 4.120 -0.000 0.000 0.304 136 V C -2.419 173.703 176.094 0.047 0.000 1.097 136 V CA -2.227 60.110 62.300 0.062 0.000 0.906 136 V CB 2.214 34.069 31.823 0.053 0.000 1.015 136 V HN 0.463 nan 8.190 nan 0.000 0.427 137 P HA 0.369 nan 4.420 nan 0.000 0.272 137 P C -2.486 174.845 177.300 0.052 0.000 1.240 137 P CA -1.394 61.729 63.100 0.039 0.000 0.791 137 P CB 0.453 32.166 31.700 0.021 0.000 0.978 138 P HA -0.058 nan 4.420 nan 0.000 0.218 138 P C 1.738 179.065 177.300 0.044 0.000 1.149 138 P CA 1.349 64.481 63.100 0.053 0.000 0.817 138 P CB -0.045 31.672 31.700 0.027 0.000 0.785 139 R N -1.249 119.235 120.500 -0.027 0.000 2.096 139 R HA 0.035 4.375 4.340 -0.000 0.000 0.235 139 R C 0.703 177.110 176.300 0.179 0.000 1.127 139 R CA 1.103 57.182 56.100 -0.035 0.000 0.968 139 R CB -0.068 30.151 30.300 -0.135 0.000 0.861 139 R HN 0.157 nan 8.270 nan 0.000 0.440 140 M N -0.541 119.128 119.600 0.114 0.000 2.813 140 M HA 0.141 4.621 4.480 -0.000 0.000 0.266 140 M C -1.677 174.670 176.300 0.078 0.000 0.943 140 M CA -0.544 54.827 55.300 0.119 0.000 0.821 140 M CB 1.002 33.684 32.600 0.136 0.000 1.732 140 M HN -0.115 nan 8.290 nan 0.000 0.571 141 L N 3.785 125.048 121.223 0.068 0.000 2.514 141 L HA 0.048 4.388 4.340 -0.000 0.000 0.280 141 L C 1.559 178.464 176.870 0.058 0.000 1.223 141 L CA 0.244 55.116 54.840 0.054 0.000 0.864 141 L CB 0.092 42.175 42.059 0.039 0.000 1.118 141 L HN 0.844 nan 8.230 nan 0.000 0.494 142 N N 3.017 121.749 118.700 0.053 0.000 2.061 142 N HA -0.204 4.536 4.740 -0.000 0.000 0.193 142 N C 1.486 177.035 175.510 0.064 0.000 1.030 142 N CA 1.839 54.921 53.050 0.053 0.000 0.856 142 N CB 0.097 38.612 38.487 0.046 0.000 1.023 142 N HN 0.633 nan 8.380 nan 0.000 0.424 143 I N 0.176 120.795 120.570 0.082 0.000 2.584 143 I HA -0.084 4.086 4.170 -0.000 0.000 0.255 143 I C 2.194 178.375 176.117 0.107 0.000 1.145 143 I CA 0.261 61.623 61.300 0.104 0.000 1.462 143 I CB -0.185 37.917 38.000 0.171 0.000 1.102 143 I HN 0.045 nan 8.210 nan 0.000 0.433 144 S N 0.594 116.357 115.700 0.104 0.000 2.400 144 S HA -0.245 4.225 4.470 -0.000 0.000 0.232 144 S C 1.898 176.550 174.600 0.085 0.000 1.025 144 S CA 1.539 59.792 58.200 0.088 0.000 0.993 144 S CB -0.291 62.939 63.200 0.051 0.000 0.808 144 S HN 0.492 nan 8.310 nan 0.000 0.478 145 E N 1.365 121.615 120.200 0.084 0.000 2.077 145 E HA -0.180 4.170 4.350 -0.000 0.000 0.193 145 E C 1.820 178.476 176.600 0.093 0.000 0.989 145 E CA 1.059 57.514 56.400 0.092 0.000 0.800 145 E CB -0.013 29.735 29.700 0.080 0.000 0.746 145 E HN 0.420 nan 8.360 nan 0.000 0.452 146 K N 0.130 120.577 120.400 0.078 0.000 2.097 146 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 146 K C 2.258 178.913 176.600 0.092 0.000 1.050 146 K CA 1.209 57.538 56.287 0.070 0.000 0.938 146 K CB -0.074 32.452 32.500 0.043 0.000 0.718 146 K HN 0.255 nan 8.250 nan 0.000 0.442 147 I N 0.743 121.371 120.570 0.096 0.000 2.163 147 I HA -0.261 3.909 4.170 -0.000 0.000 0.240 147 I C 2.279 178.502 176.117 0.178 0.000 1.081 147 I CA 1.048 62.423 61.300 0.125 0.000 1.353 147 I CB -0.321 37.735 38.000 0.094 0.000 1.054 147 I HN -0.109 nan 8.210 nan 0.000 0.407 148 V N 1.886 121.905 119.914 0.176 0.000 2.343 148 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 148 V C 2.625 178.890 176.094 0.285 0.000 1.051 148 V CA 2.312 64.774 62.300 0.269 0.000 1.036 148 V CB -1.029 30.946 31.823 0.253 0.000 0.654 148 V HN 0.538 nan 8.190 nan 0.000 0.451 149 R N 0.810 121.423 120.500 0.189 0.000 2.148 149 R HA -0.236 4.104 4.340 -0.000 0.000 0.227 149 R C 2.109 178.487 176.300 0.129 0.000 1.103 149 R CA 1.832 58.019 56.100 0.145 0.000 0.983 149 R CB -0.470 29.895 30.300 0.107 0.000 0.874 149 R HN 0.512 nan 8.270 nan 0.000 0.451 150 Q N 0.819 120.711 119.800 0.153 0.000 2.050 150 Q HA -0.236 4.104 4.340 -0.000 0.000 0.202 150 Q C 1.856 177.942 176.000 0.144 0.000 0.980 150 Q CA 1.859 57.748 55.803 0.143 0.000 0.840 150 Q CB -0.530 28.318 28.738 0.184 0.000 0.898 150 Q HN 0.610 nan 8.270 nan 0.000 0.424 151 Y N -0.116 120.243 120.300 0.098 0.000 2.145 151 Y HA -0.214 4.336 4.550 -0.000 0.000 0.286 151 Y C 1.681 177.576 175.900 -0.008 0.000 1.145 151 Y CA 1.665 59.814 58.100 0.082 0.000 1.148 151 Y CB -0.152 38.410 38.460 0.169 0.000 0.981 151 Y HN 0.145 nan 8.280 nan 0.000 0.507 152 I N 0.848 121.340 120.570 -0.130 0.000 2.099 152 I HA -0.355 3.815 4.170 -0.000 0.000 0.239 152 I C 2.533 178.514 176.117 -0.227 0.000 1.066 152 I CA 1.793 62.911 61.300 -0.303 0.000 1.324 152 I CB -1.373 36.578 38.000 -0.083 0.000 1.037 152 I HN 0.383 nan 8.210 nan 0.000 0.401 153 I N 0.198 120.735 120.570 -0.056 0.000 2.185 153 I HA -0.363 3.807 4.170 -0.000 0.000 0.246 153 I C 2.846 178.930 176.117 -0.055 0.000 1.088 153 I CA 1.502 62.806 61.300 0.005 0.000 1.347 153 I CB -0.418 37.609 38.000 0.045 0.000 1.041 153 I HN 0.273 nan 8.210 nan 0.000 0.415 154 R N 0.778 121.211 120.500 -0.113 0.000 2.066 154 R HA -0.150 4.190 4.340 -0.000 0.000 0.232 154 R C 2.108 178.303 176.300 -0.175 0.000 1.131 154 R CA 1.322 57.352 56.100 -0.116 0.000 0.955 154 R CB 0.025 30.272 30.300 -0.089 0.000 0.851 154 R HN 0.212 nan 8.270 nan 0.000 0.432 155 E N 0.033 120.012 120.200 -0.367 0.000 2.285 155 E HA -0.090 4.260 4.350 -0.000 0.000 0.194 155 E C 1.586 178.115 176.600 -0.117 0.000 0.997 155 E CA 0.651 56.837 56.400 -0.356 0.000 0.845 155 E CB 0.116 29.386 29.700 -0.717 0.000 0.782 155 E HN 0.368 nan 8.360 nan 0.000 0.491 156 M N -0.690 118.855 119.600 -0.091 0.000 2.561 156 M HA 0.134 4.614 4.480 -0.000 0.000 0.238 156 M C 0.856 177.187 176.300 0.051 0.000 1.131 156 M CA 0.475 55.844 55.300 0.115 0.000 1.046 156 M CB -0.438 32.230 32.600 0.113 0.000 1.532 156 M HN 0.157 nan 8.290 nan 0.000 0.497 157 G N 1.290 110.093 108.800 0.005 0.000 2.221 157 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.265 157 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.265 157 G C 0.403 175.280 174.900 -0.037 0.000 1.041 157 G CA 0.353 45.436 45.100 -0.029 0.000 0.807 157 G HN 0.727 nan 8.290 nan 0.000 0.502 158 A N 0.299 123.112 122.820 -0.012 0.000 3.126 158 A HA 0.527 4.847 4.320 -0.000 0.000 0.268 158 A C 1.176 178.750 177.584 -0.017 0.000 1.605 158 A CA 0.354 52.381 52.037 -0.017 0.000 1.305 158 A CB 0.033 19.044 19.000 0.019 0.000 1.160 158 A HN 0.297 nan 8.150 nan 0.000 0.609 159 D N 1.063 121.450 120.400 -0.023 0.000 2.371 159 D HA 0.043 4.683 4.640 -0.000 0.000 0.234 159 D C 1.294 177.585 176.300 -0.014 0.000 1.049 159 D CA 1.184 55.175 54.000 -0.015 0.000 0.907 159 D CB 0.437 41.228 40.800 -0.015 0.000 0.891 159 D HN 0.601 nan 8.370 nan 0.000 0.531 160 A N -0.038 122.771 122.820 -0.019 0.000 2.551 160 A HA 0.227 4.547 4.320 -0.000 0.000 0.252 160 A C 0.768 178.345 177.584 -0.011 0.000 1.199 160 A CA -0.341 51.687 52.037 -0.016 0.000 0.972 160 A CB 0.537 19.524 19.000 -0.022 0.000 1.153 160 A HN 0.042 nan 8.150 nan 0.000 0.559 161 I N 3.032 123.594 120.570 -0.013 0.000 2.371 161 I HA 0.243 4.413 4.170 -0.000 0.000 0.290 161 I C -2.077 174.040 176.117 -0.001 0.000 1.028 161 I CA -1.951 59.345 61.300 -0.006 0.000 1.345 161 I CB 1.352 39.339 38.000 -0.023 0.000 1.407 161 I HN 0.134 nan 8.210 nan 0.000 0.501 162 P HA 0.051 nan 4.420 nan 0.000 0.276 162 P C 0.618 177.909 177.300 -0.015 0.000 1.243 162 P CA -0.103 62.992 63.100 -0.007 0.000 0.768 162 P CB 1.610 33.307 31.700 -0.005 0.000 0.856 163 S N 3.356 119.057 115.700 0.002 0.000 2.393 163 S HA -0.237 4.233 4.470 -0.000 0.000 0.234 163 S C 1.444 176.044 174.600 -0.000 0.000 1.064 163 S CA 1.713 59.921 58.200 0.013 0.000 1.088 163 S CB -0.576 62.636 63.200 0.019 0.000 0.939 163 S HN 0.542 nan 8.310 nan 0.000 0.448 164 E N 0.469 120.663 120.200 -0.010 0.000 2.463 164 E HA -0.019 4.331 4.350 -0.000 0.000 0.201 164 E C 1.799 178.372 176.600 -0.045 0.000 1.045 164 E CA 0.625 57.016 56.400 -0.015 0.000 0.872 164 E CB -0.414 29.280 29.700 -0.010 0.000 0.797 164 E HN 0.458 nan 8.360 nan 0.000 0.538 165 S N 0.292 115.933 115.700 -0.098 0.000 2.548 165 S HA 0.073 4.543 4.470 -0.000 0.000 0.215 165 S C 0.565 175.006 174.600 -0.266 0.000 0.976 165 S CA -0.127 57.917 58.200 -0.259 0.000 0.908 165 S CB 0.525 63.455 63.200 -0.450 0.000 0.781 165 S HN -0.034 nan 8.310 nan 0.000 0.519 166 V N 3.287 123.159 119.914 -0.071 0.000 2.398 166 V HA 0.444 4.564 4.120 -0.000 0.000 0.286 166 V C -0.325 175.799 176.094 0.049 0.000 1.026 166 V CA -0.945 61.382 62.300 0.045 0.000 0.868 166 V CB 1.516 33.415 31.823 0.127 0.000 0.982 166 V HN 0.236 nan 8.190 nan 0.000 0.443 167 N N 4.283 123.022 118.700 0.064 0.000 2.319 167 N HA 0.717 5.457 4.740 -0.000 0.000 0.305 167 N C -1.113 174.439 175.510 0.069 0.000 1.103 167 N CA -0.476 52.609 53.050 0.059 0.000 0.815 167 N CB 2.680 41.196 38.487 0.048 0.000 1.288 167 N HN 0.477 nan 8.380 nan 0.000 0.493 168 L N 0.990 122.266 121.223 0.090 0.000 2.341 168 L HA 0.568 4.908 4.340 -0.000 0.000 0.267 168 L C -1.063 175.933 176.870 0.210 0.000 1.009 168 L CA -0.939 53.978 54.840 0.129 0.000 0.819 168 L CB 1.882 44.022 42.059 0.135 0.000 1.323 168 L HN 0.381 nan 8.230 nan 0.000 0.425 169 F N 2.290 122.256 119.950 0.026 0.000 2.500 169 F HA 0.660 5.187 4.527 -0.000 0.000 0.349 169 F C -0.070 175.770 175.800 0.067 0.000 1.127 169 F CA -1.557 56.455 58.000 0.019 0.000 0.998 169 F CB 1.014 40.000 39.000 -0.024 0.000 1.237 169 F HN 0.473 nan 8.300 nan 0.000 0.439 170 A N 6.154 129.083 122.820 0.182 0.000 2.491 170 A HA 0.580 4.900 4.320 -0.000 0.000 0.261 170 A C -0.506 176.953 177.584 -0.209 0.000 1.101 170 A CA 0.358 52.402 52.037 0.011 0.000 0.772 170 A CB -0.367 18.681 19.000 0.079 0.000 1.043 170 A HN 1.234 nan 8.150 nan 0.000 0.501 171 V N 0.642 120.426 119.914 -0.216 0.000 3.102 171 V HA 0.658 4.778 4.120 -0.000 0.000 0.312 171 V C 0.075 176.151 176.094 -0.030 0.000 1.135 171 V CA -1.008 61.174 62.300 -0.196 0.000 1.022 171 V CB 2.073 33.721 31.823 -0.291 0.000 1.056 171 V HN 0.803 nan 8.190 nan 0.000 0.436 172 E N 2.166 122.380 120.200 0.023 0.000 2.053 172 E HA 0.429 4.779 4.350 -0.000 0.000 0.297 172 E C 0.610 177.216 176.600 0.011 0.000 1.173 172 E CA 0.703 57.126 56.400 0.037 0.000 1.219 172 E CB -0.709 29.027 29.700 0.060 0.000 1.103 172 E HN 1.828 nan 8.360 nan 0.000 0.476 173 G N 0.826 109.643 108.800 0.030 0.000 2.781 173 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.683 173 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.683 173 G C 0.741 175.642 174.900 0.002 0.000 1.390 173 G CA -0.368 44.752 45.100 0.033 0.000 0.850 173 G HN 0.472 nan 8.290 nan 0.000 0.557 174 G N -1.070 107.741 108.800 0.018 0.000 2.448 174 G HA2 0.038 3.998 3.960 -0.000 0.000 0.219 174 G HA3 0.038 3.998 3.960 -0.000 0.000 0.219 174 G C 1.831 176.770 174.900 0.065 0.000 1.127 174 G CA 2.353 47.479 45.100 0.044 0.000 0.766 174 G HN 1.221 nan 8.290 nan 0.000 0.552 175 T N 1.474 116.056 114.554 0.046 0.000 2.684 175 T HA -0.061 4.289 4.350 -0.000 0.000 0.267 175 T C 2.826 177.478 174.700 -0.079 0.000 1.036 175 T CA 1.693 63.815 62.100 0.036 0.000 1.148 175 T CB -0.344 68.533 68.868 0.016 0.000 0.863 175 T HN 0.386 nan 8.240 nan 0.000 0.436 176 A N 1.311 124.013 122.820 -0.197 0.000 1.873 176 A HA 0.222 4.542 4.320 -0.000 0.000 0.215 176 A C 2.669 179.865 177.584 -0.646 0.000 1.186 176 A CA 1.796 53.492 52.037 -0.568 0.000 0.616 176 A CB -1.191 17.493 19.000 -0.526 0.000 0.823 176 A HN 0.498 nan 8.150 nan 0.000 0.442 177 A N -0.557 122.112 122.820 -0.252 0.000 1.903 177 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 177 A C 2.183 179.751 177.584 -0.026 0.000 1.191 177 A CA 2.334 54.325 52.037 -0.076 0.000 0.638 177 A CB -0.536 18.453 19.000 -0.017 0.000 0.823 177 A HN 0.439 nan 8.150 nan 0.000 0.451 178 M N -0.675 118.933 119.600 0.013 0.000 2.175 178 M HA -0.045 4.435 4.480 -0.000 0.000 0.264 178 M C 2.502 178.895 176.300 0.155 0.000 1.063 178 M CA 1.475 56.839 55.300 0.106 0.000 1.119 178 M CB -1.666 31.070 32.600 0.227 0.000 1.377 178 M HN 0.491 nan 8.290 nan 0.000 0.415 179 A N -0.569 122.269 122.820 0.031 0.000 1.933 179 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 179 A C 1.919 179.614 177.584 0.185 0.000 1.175 179 A CA 1.348 53.426 52.037 0.070 0.000 0.628 179 A CB -0.811 18.147 19.000 -0.071 0.000 0.814 179 A HN 0.408 nan 8.150 nan 0.000 0.444 180 Y N -0.291 120.082 120.300 0.122 0.000 2.184 180 Y HA 0.009 4.559 4.550 -0.000 0.000 0.290 180 Y C 2.203 178.155 175.900 0.086 0.000 1.129 180 Y CA 0.278 58.447 58.100 0.116 0.000 1.144 180 Y CB -0.855 37.676 38.460 0.119 0.000 0.995 180 Y HN 0.198 nan 8.280 nan 0.000 0.513 181 I N -1.358 119.314 120.570 0.170 0.000 2.286 181 I HA -0.311 3.859 4.170 -0.000 0.000 0.248 181 I C 1.850 177.888 176.117 -0.132 0.000 1.115 181 I CA 1.434 62.725 61.300 -0.015 0.000 1.392 181 I CB -0.412 37.466 38.000 -0.203 0.000 1.065 181 I HN 0.048 nan 8.210 nan 0.000 0.418 182 F N 0.734 120.669 119.950 -0.025 0.000 2.234 182 F HA -0.134 4.393 4.527 -0.000 0.000 0.296 182 F C 2.550 178.407 175.800 0.094 0.000 1.089 182 F CA 1.188 59.090 58.000 -0.162 0.000 1.343 182 F CB -0.383 38.253 39.000 -0.607 0.000 1.040 182 F HN -0.022 nan 8.300 nan 0.000 0.498 183 E N 0.096 120.533 120.200 0.395 0.000 2.110 183 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 183 E C 2.190 178.983 176.600 0.321 0.000 0.988 183 E CA 1.678 58.332 56.400 0.424 0.000 0.804 183 E CB -0.327 29.590 29.700 0.362 0.000 0.745 183 E HN 0.125 nan 8.360 nan 0.000 0.458 184 S N -0.353 115.517 115.700 0.282 0.000 2.387 184 S HA 0.015 4.485 4.470 -0.000 0.000 0.226 184 S C 1.820 176.667 174.600 0.411 0.000 1.026 184 S CA 0.709 59.090 58.200 0.303 0.000 0.972 184 S CB -0.185 63.123 63.200 0.179 0.000 0.814 184 S HN 0.264 nan 8.310 nan 0.000 0.477 185 L N 1.305 122.735 121.223 0.345 0.000 2.131 185 L HA -0.104 4.236 4.340 -0.000 0.000 0.210 185 L C 2.513 179.509 176.870 0.209 0.000 1.092 185 L CA 1.177 56.149 54.840 0.221 0.000 0.759 185 L CB -0.351 41.755 42.059 0.079 0.000 0.903 185 L HN 0.289 nan 8.230 nan 0.000 0.435 186 K N 0.824 121.381 120.400 0.261 0.000 2.021 186 K HA -0.112 4.208 4.320 -0.000 0.000 0.205 186 K C 2.188 178.905 176.600 0.196 0.000 1.047 186 K CA 0.893 57.328 56.287 0.248 0.000 0.943 186 K CB -0.063 32.642 32.500 0.342 0.000 0.725 186 K HN 0.163 nan 8.250 nan 0.000 0.439 187 L N 1.471 122.819 121.223 0.208 0.000 2.129 187 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 187 L C 1.412 178.381 176.870 0.165 0.000 1.087 187 L CA 1.146 56.083 54.840 0.162 0.000 0.757 187 L CB -0.308 41.854 42.059 0.172 0.000 0.896 187 L HN 0.309 nan 8.230 nan 0.000 0.434 188 N N -0.127 118.706 118.700 0.223 0.000 2.251 188 N HA 0.077 4.817 4.740 -0.000 0.000 0.217 188 N C 1.125 176.722 175.510 0.145 0.000 1.124 188 N CA 0.785 53.966 53.050 0.218 0.000 0.843 188 N CB 0.850 39.532 38.487 0.325 0.000 1.024 188 N HN 0.368 nan 8.380 nan 0.000 0.501 189 G N 1.413 110.287 108.800 0.123 0.000 2.233 189 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.270 189 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.270 189 G C 0.838 175.777 174.900 0.065 0.000 1.011 189 G CA 0.263 45.416 45.100 0.088 0.000 0.762 189 G HN 0.395 nan 8.290 nan 0.000 0.511 190 L N -1.867 119.394 121.223 0.063 0.000 2.418 190 L HA 0.387 4.727 4.340 -0.000 0.000 0.218 190 L C 0.837 177.719 176.870 0.019 0.000 1.125 190 L CA 0.280 55.125 54.840 0.008 0.000 0.835 190 L CB 0.219 42.249 42.059 -0.049 0.000 0.953 190 L HN 0.256 nan 8.230 nan 0.000 0.454 191 L N 0.695 121.957 121.223 0.065 0.000 2.491 191 L HA 0.361 4.701 4.340 -0.000 0.000 0.267 191 L C -0.739 176.199 176.870 0.113 0.000 0.971 191 L CA -0.270 54.621 54.840 0.085 0.000 0.857 191 L CB 1.343 43.468 42.059 0.109 0.000 1.226 191 L HN -0.062 nan 8.230 nan 0.000 0.408 192 K N 3.368 123.822 120.400 0.089 0.000 2.118 192 K HA 0.840 5.160 4.320 -0.000 0.000 0.254 192 K C -0.120 176.536 176.600 0.093 0.000 0.961 192 K CA -0.824 55.515 56.287 0.087 0.000 0.876 192 K CB 1.459 33.995 32.500 0.060 0.000 1.077 192 K HN 0.629 nan 8.250 nan 0.000 0.440 193 A N 0.844 123.718 122.820 0.090 0.000 2.561 193 A HA 0.329 4.649 4.320 -0.000 0.000 0.234 193 A C 1.297 178.920 177.584 0.065 0.000 1.055 193 A CA 1.098 53.184 52.037 0.083 0.000 0.756 193 A CB -0.923 18.115 19.000 0.063 0.000 0.986 193 A HN 1.000 nan 8.150 nan 0.000 0.505 194 G N 1.433 110.271 108.800 0.065 0.000 2.225 194 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.254 194 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.254 194 G C 0.119 175.051 174.900 0.053 0.000 0.988 194 G CA 0.359 45.490 45.100 0.052 0.000 0.625 194 G HN 0.882 nan 8.290 nan 0.000 0.527 195 D N 1.179 121.616 120.400 0.062 0.000 2.399 195 D HA 0.294 4.934 4.640 -0.000 0.000 0.241 195 D C 0.703 177.041 176.300 0.064 0.000 1.133 195 D CA 0.374 54.409 54.000 0.058 0.000 0.890 195 D CB 0.537 41.375 40.800 0.064 0.000 1.201 195 D HN 0.290 nan 8.370 nan 0.000 0.432 196 K N 0.796 121.230 120.400 0.057 0.000 2.297 196 K HA 0.304 4.624 4.320 -0.000 0.000 0.286 196 K C -0.590 176.061 176.600 0.084 0.000 1.053 196 K CA -0.475 55.850 56.287 0.064 0.000 0.940 196 K CB 1.693 34.222 32.500 0.049 0.000 1.019 196 K HN 0.085 nan 8.250 nan 0.000 0.475 197 V N 3.170 123.148 119.914 0.107 0.000 2.380 197 V HA 0.444 4.564 4.120 -0.000 0.000 0.286 197 V C -0.788 175.415 176.094 0.182 0.000 1.015 197 V CA -0.574 61.815 62.300 0.149 0.000 0.834 197 V CB 1.165 33.084 31.823 0.160 0.000 1.009 197 V HN 0.860 nan 8.190 nan 0.000 0.428 198 A N 8.198 131.145 122.820 0.213 0.000 2.404 198 A HA 0.690 5.010 4.320 -0.000 0.000 0.273 198 A C -0.231 177.565 177.584 0.354 0.000 1.144 198 A CA -0.112 52.072 52.037 0.245 0.000 0.806 198 A CB -0.082 19.042 19.000 0.207 0.000 1.080 198 A HN 0.858 nan 8.150 nan 0.000 0.509 199 I N 2.621 123.354 120.570 0.271 0.000 2.378 199 I HA 0.364 4.534 4.170 -0.000 0.000 0.291 199 I C 1.025 177.258 176.117 0.192 0.000 0.992 199 I CA -0.602 60.835 61.300 0.228 0.000 1.154 199 I CB 1.942 40.068 38.000 0.210 0.000 1.315 199 I HN 0.723 nan 8.210 nan 0.000 0.448 200 G N 7.241 116.109 108.800 0.114 0.000 2.343 200 G HA2 0.458 4.418 3.960 -0.000 0.000 0.254 200 G HA3 0.458 4.418 3.960 -0.000 0.000 0.254 200 G C -0.420 174.640 174.900 0.266 0.000 1.277 200 G CA -0.237 44.955 45.100 0.155 0.000 0.909 200 G HN 0.504 nan 8.290 nan 0.000 0.502 201 M N 3.665 123.497 119.600 0.386 0.000 2.644 201 M HA 0.387 4.867 4.480 -0.000 0.000 0.304 201 M C -2.272 174.201 176.300 0.289 0.000 1.215 201 M CA -2.005 53.460 55.300 0.276 0.000 0.871 201 M CB 3.297 36.020 32.600 0.205 0.000 1.740 201 M HN 0.298 nan 8.290 nan 0.000 0.464 202 P HA 0.288 nan 4.420 nan 0.000 0.274 202 P C -1.347 175.992 177.300 0.066 0.000 1.237 202 P CA -0.328 62.846 63.100 0.123 0.000 0.793 202 P CB 1.621 33.368 31.700 0.078 0.000 0.977 203 V N 3.123 123.075 119.914 0.063 0.000 3.130 203 V HA 0.530 4.650 4.120 -0.000 0.000 0.310 203 V C -0.456 175.707 176.094 0.114 0.000 1.158 203 V CA -1.401 60.923 62.300 0.040 0.000 1.029 203 V CB 1.840 33.715 31.823 0.086 0.000 1.057 203 V HN 0.547 nan 8.190 nan 0.000 0.436 204 F N 1.682 121.534 119.950 -0.163 0.000 2.444 204 F HA 0.298 4.825 4.527 -0.000 0.000 0.331 204 F C 1.415 177.141 175.800 -0.123 0.000 1.167 204 F CA 0.084 57.974 58.000 -0.184 0.000 1.262 204 F CB 0.457 39.303 39.000 -0.257 0.000 1.196 204 F HN 0.588 nan 8.300 nan 0.000 0.583 205 T N 2.129 116.640 114.554 -0.072 0.000 2.594 205 T HA -0.172 4.178 4.350 -0.000 0.000 0.266 205 T C -0.639 173.942 174.700 -0.198 0.000 1.070 205 T CA 2.772 64.784 62.100 -0.146 0.000 1.166 205 T CB -1.365 67.400 68.868 -0.172 0.000 0.862 205 T HN 0.561 nan 8.240 nan 0.000 0.436 206 P HA -0.127 nan 4.420 nan 0.000 0.216 206 P C 0.855 178.229 177.300 0.123 0.000 1.154 206 P CA 1.156 64.063 63.100 -0.323 0.000 0.865 206 P CB -0.171 31.094 31.700 -0.725 0.000 0.789 207 Y N -1.606 118.743 120.300 0.081 0.000 2.578 207 Y HA 0.007 4.557 4.550 -0.000 0.000 0.297 207 Y C 2.051 178.066 175.900 0.192 0.000 1.176 207 Y CA -0.344 57.915 58.100 0.265 0.000 1.315 207 Y CB -0.764 37.874 38.460 0.298 0.000 1.031 207 Y HN 0.033 nan 8.280 nan 0.000 0.524 208 I N -0.975 119.740 120.570 0.242 0.000 3.265 208 I HA -0.040 4.130 4.170 -0.000 0.000 0.282 208 I C 1.619 177.789 176.117 0.088 0.000 1.207 208 I CA 0.656 62.047 61.300 0.152 0.000 1.449 208 I CB -0.443 37.622 38.000 0.108 0.000 1.121 208 I HN 0.177 nan 8.210 nan 0.000 0.442 209 E N 0.964 121.203 120.200 0.064 0.000 2.170 209 E HA -0.018 4.332 4.350 -0.000 0.000 0.191 209 E C 2.288 178.892 176.600 0.008 0.000 0.981 209 E CA 0.716 57.133 56.400 0.029 0.000 0.830 209 E CB 0.220 29.927 29.700 0.012 0.000 0.775 209 E HN 0.376 nan 8.360 nan 0.000 0.470 210 I N 2.196 122.748 120.570 -0.030 0.000 2.142 210 I HA -0.174 3.996 4.170 -0.000 0.000 0.240 210 I C -0.582 175.417 176.117 -0.196 0.000 1.078 210 I CA 0.972 62.190 61.300 -0.138 0.000 1.343 210 I CB -1.336 36.450 38.000 -0.357 0.000 1.046 210 I HN 0.075 nan 8.210 nan 0.000 0.405 211 P HA -0.161 nan 4.420 nan 0.000 0.230 211 P C 1.199 178.493 177.300 -0.009 0.000 1.158 211 P CA 1.440 64.427 63.100 -0.187 0.000 0.769 211 P CB -0.041 31.586 31.700 -0.122 0.000 0.807 212 E N -0.612 119.596 120.200 0.012 0.000 2.318 212 E HA 0.079 4.429 4.350 -0.000 0.000 0.193 212 E C 0.807 177.437 176.600 0.051 0.000 0.998 212 E CA -0.192 56.230 56.400 0.038 0.000 0.859 212 E CB -0.091 29.630 29.700 0.034 0.000 0.812 212 E HN 0.226 nan 8.360 nan 0.000 0.492 213 L N 0.397 121.665 121.223 0.075 0.000 2.499 213 L HA -0.068 4.272 4.340 -0.000 0.000 0.281 213 L C 1.434 178.329 176.870 0.043 0.000 1.234 213 L CA 0.076 54.958 54.840 0.071 0.000 0.839 213 L CB 0.576 42.713 42.059 0.130 0.000 1.104 213 L HN 0.099 nan 8.230 nan 0.000 0.500 214 A N 1.793 124.608 122.820 -0.008 0.000 2.014 214 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 214 A C 1.953 179.487 177.584 -0.083 0.000 1.163 214 A CA 1.147 53.168 52.037 -0.026 0.000 0.652 214 A CB -0.462 18.522 19.000 -0.026 0.000 0.808 214 A HN 0.926 nan 8.150 nan 0.000 0.449 215 Q N -2.231 117.450 119.800 -0.197 0.000 2.436 215 Q HA -0.100 4.240 4.340 -0.000 0.000 0.209 215 Q C 1.167 176.857 176.000 -0.517 0.000 0.965 215 Q CA 1.538 57.106 55.803 -0.392 0.000 0.910 215 Q CB -0.372 28.021 28.738 -0.576 0.000 0.980 215 Q HN 0.800 nan 8.270 nan 0.000 0.491 216 Y N -0.132 120.174 120.300 0.010 0.000 2.701 216 Y HA 0.442 4.992 4.550 -0.000 0.000 0.275 216 Y C 0.891 176.801 175.900 0.016 0.000 1.133 216 Y CA -0.174 57.937 58.100 0.018 0.000 1.241 216 Y CB 0.479 38.926 38.460 -0.022 0.000 1.389 216 Y HN 0.069 nan 8.280 nan 0.000 0.486 217 A N 1.868 124.776 122.820 0.147 0.000 2.091 217 A HA -0.205 4.115 4.320 -0.000 0.000 0.270 217 A C -0.601 177.041 177.584 0.097 0.000 1.368 217 A CA 0.592 52.683 52.037 0.091 0.000 0.745 217 A CB -2.250 16.784 19.000 0.057 0.000 1.173 217 A HN 0.424 nan 8.150 nan 0.000 0.322 218 L N 0.122 121.400 121.223 0.093 0.000 2.313 218 L HA 0.656 4.996 4.340 -0.000 0.000 0.268 218 L C 0.740 177.651 176.870 0.069 0.000 1.010 218 L CA -0.763 54.126 54.840 0.083 0.000 0.814 218 L CB 1.435 43.542 42.059 0.080 0.000 1.304 218 L HN 0.575 nan 8.230 nan 0.000 0.441 219 E N 0.944 121.186 120.200 0.069 0.000 2.156 219 E HA 0.238 4.588 4.350 -0.000 0.000 0.279 219 E C -1.057 175.589 176.600 0.077 0.000 0.965 219 E CA -0.493 55.946 56.400 0.065 0.000 0.789 219 E CB 1.557 31.291 29.700 0.056 0.000 1.098 219 E HN 0.446 nan 8.360 nan 0.000 0.397 220 E N 1.559 121.807 120.200 0.080 0.000 2.343 220 E HA 0.272 4.622 4.350 -0.000 0.000 0.269 220 E C -0.701 175.953 176.600 0.090 0.000 1.047 220 E CA -0.442 56.017 56.400 0.098 0.000 0.874 220 E CB 1.720 31.480 29.700 0.100 0.000 1.033 220 E HN 0.110 nan 8.360 nan 0.000 0.409 221 V N 2.082 122.058 119.914 0.104 0.000 2.443 221 V HA 0.234 4.354 4.120 -0.000 0.000 0.272 221 V C -0.045 176.111 176.094 0.102 0.000 1.002 221 V CA -0.823 61.529 62.300 0.086 0.000 0.840 221 V CB 1.098 32.964 31.823 0.071 0.000 1.042 221 V HN 0.802 nan 8.190 nan 0.000 0.446 222 A N 5.807 128.687 122.820 0.099 0.000 2.567 222 A HA 0.445 4.765 4.320 -0.000 0.000 0.240 222 A C 0.092 177.740 177.584 0.108 0.000 1.053 222 A CA 0.433 52.539 52.037 0.116 0.000 0.755 222 A CB -0.048 19.018 19.000 0.109 0.000 0.978 222 A HN 0.620 nan 8.150 nan 0.000 0.507 223 I N 4.183 124.835 120.570 0.136 0.000 2.620 223 I HA 0.106 4.276 4.170 -0.000 0.000 0.280 223 I C -0.363 175.912 176.117 0.264 0.000 1.143 223 I CA -0.614 60.749 61.300 0.105 0.000 1.163 223 I CB -0.213 37.778 38.000 -0.015 0.000 1.461 223 I HN 0.558 nan 8.210 nan 0.000 0.530 224 N N 3.691 122.532 118.700 0.236 0.000 2.454 224 N HA 0.210 4.950 4.740 -0.000 0.000 0.260 224 N C 0.367 176.050 175.510 0.287 0.000 1.218 224 N CA 0.052 53.252 53.050 0.251 0.000 0.904 224 N CB 1.676 40.245 38.487 0.137 0.000 1.065 224 N HN 0.524 nan 8.380 nan 0.000 0.462 225 A N 1.205 124.142 122.820 0.196 0.000 2.316 225 A HA 0.209 4.529 4.320 -0.000 0.000 0.284 225 A C -0.011 177.477 177.584 -0.161 0.000 1.115 225 A CA -0.545 51.450 52.037 -0.069 0.000 0.812 225 A CB 0.370 19.259 19.000 -0.185 0.000 1.064 225 A HN 0.658 nan 8.150 nan 0.000 0.489 226 D N 1.780 122.035 120.400 -0.240 0.000 2.349 226 D HA 0.471 5.111 4.640 -0.000 0.000 0.232 226 D C -1.995 173.958 176.300 -0.579 0.000 1.071 226 D CA -1.839 51.965 54.000 -0.328 0.000 0.832 226 D CB 1.514 42.214 40.800 -0.167 0.000 1.086 226 D HN 0.081 nan 8.370 nan 0.000 0.504 227 P HA -0.216 nan 4.420 nan 0.000 0.217 227 P C 1.342 178.365 177.300 -0.462 0.000 1.151 227 P CA 1.062 63.513 63.100 -1.082 0.000 0.849 227 P CB 0.181 31.508 31.700 -0.621 0.000 0.787 228 S N -1.276 114.259 115.700 -0.275 0.000 2.440 228 S HA -0.102 4.368 4.470 -0.000 0.000 0.238 228 S C 1.371 175.897 174.600 -0.124 0.000 1.010 228 S CA 0.951 59.065 58.200 -0.143 0.000 0.972 228 S CB -0.896 62.244 63.200 -0.101 0.000 0.774 228 S HN 0.051 nan 8.310 nan 0.000 0.501 229 L N 1.276 122.401 121.223 -0.164 0.000 2.741 229 L HA 0.344 4.684 4.340 -0.000 0.000 0.237 229 L C 0.544 177.364 176.870 -0.084 0.000 1.178 229 L CA -0.205 54.574 54.840 -0.101 0.000 0.973 229 L CB -0.386 41.622 42.059 -0.085 0.000 1.255 229 L HN 0.249 nan 8.230 nan 0.000 0.498 230 N N 0.486 119.120 118.700 -0.110 0.000 2.783 230 N HA -0.232 4.508 4.740 -0.000 0.000 0.247 230 N C -0.354 175.238 175.510 0.137 0.000 1.089 230 N CA 0.668 53.735 53.050 0.029 0.000 0.690 230 N CB -1.113 37.410 38.487 0.059 0.000 0.991 230 N HN 0.505 nan 8.380 nan 0.000 0.552 231 W N -2.178 119.055 121.300 -0.112 0.000 3.456 231 W HA -0.253 4.407 4.660 -0.000 0.000 0.314 231 W C 0.718 177.075 176.519 -0.269 0.000 1.192 231 W CA 0.322 57.557 57.345 -0.183 0.000 0.654 231 W CB -1.751 27.596 29.460 -0.187 0.000 2.251 231 W HN 0.208 nan 8.180 nan 0.000 1.360 232 Q N -0.210 119.531 119.800 -0.100 0.000 2.260 232 Q HA 0.303 4.643 4.340 -0.000 0.000 0.238 232 Q C -0.113 175.764 176.000 -0.206 0.000 0.948 232 Q CA -0.479 55.238 55.803 -0.144 0.000 0.895 232 Q CB 0.431 29.151 28.738 -0.030 0.000 1.218 232 Q HN 0.201 nan 8.270 nan 0.000 0.470 233 Y N 1.995 122.339 120.300 0.074 0.000 2.336 233 Y HA 0.201 4.751 4.550 -0.000 0.000 0.335 233 Y C -1.563 174.352 175.900 0.024 0.000 1.046 233 Y CA -1.761 56.373 58.100 0.057 0.000 1.198 233 Y CB 0.492 39.003 38.460 0.086 0.000 1.182 233 Y HN 0.336 nan 8.280 nan 0.000 0.502 234 P HA -0.014 nan 4.420 nan 0.000 0.274 234 P C -0.063 177.276 177.300 0.065 0.000 1.231 234 P CA -0.181 62.961 63.100 0.069 0.000 0.790 234 P CB 1.429 33.149 31.700 0.033 0.000 0.951 235 D N 1.318 121.740 120.400 0.037 0.000 2.154 235 D HA -0.185 4.455 4.640 -0.000 0.000 0.190 235 D C 1.965 178.266 176.300 0.001 0.000 1.003 235 D CA 2.409 56.419 54.000 0.017 0.000 0.849 235 D CB -0.541 40.263 40.800 0.008 0.000 0.942 235 D HN 0.488 nan 8.370 nan 0.000 0.446 236 S N 0.696 116.397 115.700 0.002 0.000 2.387 236 S HA -0.233 4.237 4.470 -0.000 0.000 0.230 236 S C 1.924 176.518 174.600 -0.010 0.000 1.035 236 S CA 1.374 59.569 58.200 -0.008 0.000 1.014 236 S CB -0.289 62.909 63.200 -0.003 0.000 0.836 236 S HN 0.125 nan 8.310 nan 0.000 0.466 237 E N 1.374 121.583 120.200 0.014 0.000 2.072 237 E HA 0.126 4.476 4.350 -0.000 0.000 0.190 237 E C 1.997 178.571 176.600 -0.044 0.000 0.982 237 E CA 0.866 57.278 56.400 0.020 0.000 0.803 237 E CB -0.443 29.316 29.700 0.098 0.000 0.755 237 E HN 0.561 nan 8.360 nan 0.000 0.453 238 L N 0.771 121.963 121.223 -0.053 0.000 2.046 238 L HA -0.181 4.158 4.340 -0.000 0.000 0.208 238 L C 1.664 178.432 176.870 -0.169 0.000 1.077 238 L CA 1.176 55.920 54.840 -0.160 0.000 0.747 238 L CB -0.436 41.561 42.059 -0.105 0.000 0.896 238 L HN 0.119 nan 8.230 nan 0.000 0.432 239 D N 0.423 120.760 120.400 -0.105 0.000 2.354 239 D HA -0.164 4.476 4.640 -0.000 0.000 0.216 239 D C 1.892 178.121 176.300 -0.118 0.000 0.970 239 D CA 0.929 54.863 54.000 -0.109 0.000 0.905 239 D CB -0.088 40.662 40.800 -0.084 0.000 0.903 239 D HN 0.356 nan 8.370 nan 0.000 0.508 240 K N 0.043 120.377 120.400 -0.110 0.000 2.442 240 K HA -0.011 4.309 4.320 -0.000 0.000 0.198 240 K C 1.949 178.482 176.600 -0.111 0.000 1.042 240 K CA 0.193 56.425 56.287 -0.091 0.000 0.958 240 K CB 0.117 32.579 32.500 -0.064 0.000 0.766 240 K HN 0.237 nan 8.250 nan 0.000 0.474 241 L N 0.831 121.956 121.223 -0.165 0.000 2.217 241 L HA -0.118 4.222 4.340 -0.000 0.000 0.211 241 L C 1.903 178.705 176.870 -0.113 0.000 1.107 241 L CA 0.963 55.700 54.840 -0.170 0.000 0.783 241 L CB -0.274 41.620 42.059 -0.275 0.000 0.919 241 L HN 0.101 nan 8.230 nan 0.000 0.442 242 K N -0.230 120.096 120.400 -0.123 0.000 2.281 242 K HA -0.174 4.146 4.320 -0.000 0.000 0.203 242 K C 0.627 177.177 176.600 -0.083 0.000 1.046 242 K CA 0.538 56.752 56.287 -0.123 0.000 0.938 242 K CB -0.361 32.005 32.500 -0.224 0.000 0.737 242 K HN 0.182 nan 8.250 nan 0.000 0.458 243 D N 1.930 122.288 120.400 -0.070 0.000 2.368 243 D HA -0.030 4.610 4.640 -0.000 0.000 0.268 243 D C -1.469 174.814 176.300 -0.029 0.000 1.298 243 D CA -1.805 52.169 54.000 -0.044 0.000 0.938 243 D CB 0.998 41.778 40.800 -0.033 0.000 1.101 243 D HN 0.018 nan 8.370 nan 0.000 0.509 244 P HA -0.171 nan 4.420 nan 0.000 0.224 244 P C 0.894 178.188 177.300 -0.009 0.000 1.142 244 P CA 0.742 63.834 63.100 -0.014 0.000 0.778 244 P CB 0.179 31.873 31.700 -0.009 0.000 0.764 245 A N -0.026 122.790 122.820 -0.005 0.000 2.014 245 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 245 A C 1.479 179.069 177.584 0.011 0.000 1.163 245 A CA 0.299 52.338 52.037 0.004 0.000 0.652 245 A CB -0.952 18.052 19.000 0.007 0.000 0.808 245 A HN 0.163 nan 8.150 nan 0.000 0.449 246 I N 0.821 121.397 120.570 0.009 0.000 2.505 246 I HA 0.008 4.178 4.170 -0.000 0.000 0.287 246 I C 1.139 177.269 176.117 0.022 0.000 1.104 246 I CA -0.382 60.932 61.300 0.025 0.000 1.387 246 I CB 0.902 38.914 38.000 0.019 0.000 1.404 246 I HN 0.166 nan 8.210 nan 0.000 0.528 247 K N 5.927 126.347 120.400 0.033 0.000 2.067 247 K HA 0.255 4.575 4.320 -0.000 0.000 0.203 247 K C 0.471 177.085 176.600 0.023 0.000 1.048 247 K CA 1.068 57.363 56.287 0.014 0.000 0.954 247 K CB 0.497 33.007 32.500 0.018 0.000 0.737 247 K HN 0.546 nan 8.250 nan 0.000 0.444 248 I N -0.103 120.513 120.570 0.076 0.000 2.730 248 I HA 0.251 4.421 4.170 -0.000 0.000 0.298 248 I C -1.554 174.707 176.117 0.241 0.000 1.089 248 I CA -1.124 60.248 61.300 0.121 0.000 1.041 248 I CB 1.813 39.862 38.000 0.081 0.000 1.235 248 I HN -0.174 nan 8.210 nan 0.000 0.423 249 F N 8.568 128.570 119.950 0.087 0.000 2.332 249 F HA 0.428 4.955 4.527 -0.000 0.000 0.368 249 F C -1.389 174.541 175.800 0.216 0.000 1.110 249 F CA -1.231 56.834 58.000 0.109 0.000 1.087 249 F CB 0.729 39.762 39.000 0.056 0.000 1.235 249 F HN 0.275 nan 8.300 nan 0.000 0.470 250 F N 7.481 127.366 119.950 -0.108 0.000 2.390 250 F HA 0.473 5.000 4.527 -0.000 0.000 0.361 250 F C -0.737 174.821 175.800 -0.403 0.000 1.124 250 F CA -1.348 56.531 58.000 -0.202 0.000 1.149 250 F CB 0.237 39.232 39.000 -0.007 0.000 1.160 250 F HN 0.541 nan 8.300 nan 0.000 0.501 251 C N 6.254 125.286 119.300 -0.447 0.000 2.626 251 C HA 0.778 5.238 4.460 -0.000 0.000 0.310 251 C C -1.067 173.768 174.990 -0.259 0.000 1.191 251 C CA -0.558 58.157 59.018 -0.505 0.000 1.517 251 C CB 1.198 28.503 27.740 -0.725 0.000 2.102 251 C HN 0.558 nan 8.230 nan 0.000 0.479 252 V N 5.678 125.500 119.914 -0.154 0.000 2.313 252 V HA 0.447 4.567 4.120 -0.000 0.000 0.278 252 V C -0.355 175.778 176.094 0.064 0.000 1.017 252 V CA -0.099 62.174 62.300 -0.046 0.000 0.823 252 V CB 1.030 32.792 31.823 -0.101 0.000 1.010 252 V HN 0.821 nan 8.190 nan 0.000 0.443 253 N N 6.487 125.271 118.700 0.140 0.000 2.430 253 N HA 0.538 5.278 4.740 -0.000 0.000 0.290 253 N C -3.082 172.604 175.510 0.292 0.000 1.063 253 N CA -1.664 51.541 53.050 0.258 0.000 0.883 253 N CB 3.282 41.963 38.487 0.323 0.000 1.465 253 N HN 0.197 nan 8.380 nan 0.000 0.493 254 P HA 0.073 nan 4.420 nan 0.000 0.270 254 P C -0.519 176.851 177.300 0.116 0.000 1.223 254 P CA -0.162 63.039 63.100 0.169 0.000 0.785 254 P CB 0.482 32.230 31.700 0.080 0.000 0.923 255 S N 1.327 117.051 115.700 0.040 0.000 2.603 255 S HA 0.326 4.796 4.470 -0.000 0.000 0.268 255 S C -0.042 174.459 174.600 -0.164 0.000 1.317 255 S CA -0.412 57.765 58.200 -0.039 0.000 1.012 255 S CB 0.249 63.421 63.200 -0.046 0.000 0.926 255 S HN 0.482 nan 8.310 nan 0.000 0.539 256 N N 1.335 119.896 118.700 -0.231 0.000 2.430 256 N HA 0.363 5.103 4.740 -0.000 0.000 0.290 256 N C -2.290 172.994 175.510 -0.377 0.000 1.063 256 N CA -2.205 50.606 53.050 -0.399 0.000 0.883 256 N CB 2.142 40.368 38.487 -0.435 0.000 1.465 256 N HN 0.349 nan 8.380 nan 0.000 0.493 257 P HA 0.195 nan 4.420 nan 0.000 0.227 257 P C -1.508 175.490 177.300 -0.504 0.000 1.161 257 P CA 0.536 63.314 63.100 -0.537 0.000 0.788 257 P CB 0.014 31.436 31.700 -0.464 0.000 0.822 258 P HA -0.120 nan 4.420 nan 0.000 0.216 258 P C 0.626 177.673 177.300 -0.421 0.000 1.153 258 P CA 1.780 64.446 63.100 -0.723 0.000 0.858 258 P CB -0.457 30.887 31.700 -0.593 0.000 0.789 259 S N -1.894 113.640 115.700 -0.275 0.000 3.791 259 S HA -0.057 4.413 4.470 -0.000 0.000 0.393 259 S C -0.073 174.451 174.600 -0.127 0.000 0.936 259 S CA 0.320 58.401 58.200 -0.199 0.000 1.234 259 S CB -1.871 61.236 63.200 -0.156 0.000 0.891 259 S HN 0.182 nan 8.310 nan 0.000 0.519 260 V N -0.696 119.176 119.914 -0.069 0.000 3.114 260 V HA 0.909 5.029 4.120 -0.000 0.000 0.308 260 V C -0.380 175.755 176.094 0.068 0.000 1.168 260 V CA -0.905 61.399 62.300 0.006 0.000 1.015 260 V CB 2.045 33.885 31.823 0.027 0.000 1.050 260 V HN 0.558 nan 8.190 nan 0.000 0.433 261 K N 2.781 123.257 120.400 0.128 0.000 2.110 261 K HA 0.724 5.044 4.320 -0.000 0.000 0.263 261 K C -0.253 176.450 176.600 0.172 0.000 0.975 261 K CA -0.764 55.661 56.287 0.230 0.000 0.895 261 K CB 1.583 34.296 32.500 0.355 0.000 1.060 261 K HN 0.740 nan 8.250 nan 0.000 0.448 262 M N 3.819 123.537 119.600 0.198 0.000 2.260 262 M HA -0.037 4.443 4.480 -0.000 0.000 0.348 262 M C -0.019 176.344 176.300 0.105 0.000 1.342 262 M CA 0.092 55.494 55.300 0.170 0.000 1.040 262 M CB 0.062 32.796 32.600 0.223 0.000 1.810 262 M HN 0.835 nan 8.290 nan 0.000 0.453 263 D N 2.553 123.006 120.400 0.087 0.000 2.398 263 D HA 0.060 4.700 4.640 -0.000 0.000 0.247 263 D C 0.510 176.834 176.300 0.041 0.000 1.227 263 D CA -0.356 53.677 54.000 0.056 0.000 0.980 263 D CB 0.503 41.331 40.800 0.047 0.000 1.106 263 D HN 0.509 nan 8.370 nan 0.000 0.493 264 Q N -0.389 119.425 119.800 0.023 0.000 2.014 264 Q HA -0.214 4.126 4.340 -0.000 0.000 0.207 264 Q C 2.232 178.245 176.000 0.022 0.000 0.993 264 Q CA 2.367 58.177 55.803 0.011 0.000 0.850 264 Q CB -0.308 28.433 28.738 0.005 0.000 0.916 264 Q HN 0.569 nan 8.270 nan 0.000 0.417 265 R N -0.117 120.398 120.500 0.026 0.000 2.133 265 R HA -0.243 4.097 4.340 -0.000 0.000 0.245 265 R C 2.160 178.486 176.300 0.043 0.000 1.137 265 R CA 2.094 58.212 56.100 0.029 0.000 0.947 265 R CB -0.401 29.917 30.300 0.030 0.000 0.865 265 R HN 0.247 nan 8.270 nan 0.000 0.437 266 S N 0.824 116.565 115.700 0.068 0.000 2.368 266 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 266 S C 1.969 176.620 174.600 0.084 0.000 1.030 266 S CA 1.372 59.634 58.200 0.102 0.000 0.999 266 S CB -0.220 63.087 63.200 0.178 0.000 0.844 266 S HN 0.286 nan 8.310 nan 0.000 0.459 267 L N 0.952 122.215 121.223 0.067 0.000 1.994 267 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 267 L C 2.728 179.614 176.870 0.026 0.000 1.071 267 L CA 1.412 56.279 54.840 0.046 0.000 0.745 267 L CB -0.543 41.523 42.059 0.010 0.000 0.892 267 L HN 0.233 nan 8.230 nan 0.000 0.431 268 E N 0.211 120.420 120.200 0.016 0.000 2.085 268 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 268 E C 2.178 178.783 176.600 0.009 0.000 0.994 268 E CA 1.138 57.542 56.400 0.007 0.000 0.801 268 E CB 0.000 29.703 29.700 0.005 0.000 0.743 268 E HN 0.092 nan 8.360 nan 0.000 0.453 269 R N -0.436 120.073 120.500 0.016 0.000 2.083 269 R HA -0.096 4.244 4.340 -0.000 0.000 0.237 269 R C 2.104 178.403 176.300 -0.002 0.000 1.137 269 R CA 1.603 57.709 56.100 0.010 0.000 0.951 269 R CB -0.696 29.612 30.300 0.012 0.000 0.851 269 R HN 0.149 nan 8.270 nan 0.000 0.434 270 V N 0.632 120.545 119.914 -0.002 0.000 2.548 270 V HA -0.124 3.996 4.120 -0.000 0.000 0.249 270 V C 2.499 178.594 176.094 0.001 0.000 1.055 270 V CA 1.876 64.165 62.300 -0.018 0.000 1.065 270 V CB -0.608 31.223 31.823 0.014 0.000 0.681 270 V HN 0.360 nan 8.190 nan 0.000 0.462 271 R N 0.470 120.975 120.500 0.008 0.000 2.083 271 R HA -0.231 4.108 4.340 -0.000 0.000 0.237 271 R C 2.232 178.527 176.300 -0.008 0.000 1.137 271 R CA 2.310 58.409 56.100 -0.002 0.000 0.951 271 R CB -0.324 29.971 30.300 -0.009 0.000 0.851 271 R HN 0.528 nan 8.270 nan 0.000 0.434 272 N N 0.389 119.087 118.700 -0.003 0.000 2.058 272 N HA -0.114 4.626 4.740 -0.000 0.000 0.191 272 N C 1.820 177.341 175.510 0.019 0.000 1.037 272 N CA 1.622 54.670 53.050 -0.002 0.000 0.848 272 N CB -0.157 38.337 38.487 0.011 0.000 1.021 272 N HN 0.200 nan 8.380 nan 0.000 0.422 273 I N -0.339 120.261 120.570 0.050 0.000 2.248 273 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 273 I C 1.841 177.993 176.117 0.058 0.000 1.107 273 I CA 0.875 62.234 61.300 0.099 0.000 1.373 273 I CB -0.269 37.737 38.000 0.011 0.000 1.055 273 I HN 0.052 nan 8.210 nan 0.000 0.418 274 V N 0.746 120.665 119.914 0.009 0.000 2.323 274 V HA -0.203 3.917 4.120 -0.000 0.000 0.244 274 V C 2.620 178.696 176.094 -0.030 0.000 1.041 274 V CA 1.900 64.195 62.300 -0.008 0.000 1.025 274 V CB -0.840 30.979 31.823 -0.008 0.000 0.656 274 V HN 0.486 nan 8.190 nan 0.000 0.451 275 A N -0.656 122.138 122.820 -0.043 0.000 1.968 275 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 275 A C 2.073 179.592 177.584 -0.108 0.000 1.169 275 A CA 1.281 53.278 52.037 -0.066 0.000 0.638 275 A CB -0.154 18.810 19.000 -0.060 0.000 0.812 275 A HN 0.530 nan 8.150 nan 0.000 0.446 276 E N -1.704 118.397 120.200 -0.164 0.000 2.447 276 E HA 0.096 4.446 4.350 -0.000 0.000 0.204 276 E C 0.759 177.045 176.600 -0.523 0.000 0.977 276 E CA 0.413 56.604 56.400 -0.348 0.000 0.950 276 E CB 0.138 29.561 29.700 -0.462 0.000 0.975 276 E HN 0.770 nan 8.360 nan 0.000 0.496 277 H N -0.622 118.426 119.070 -0.037 0.000 2.916 277 H HA 0.285 4.841 4.556 -0.000 0.000 0.229 277 H C 0.393 175.697 175.328 -0.041 0.000 0.917 277 H CA 0.037 56.063 56.048 -0.038 0.000 1.048 277 H CB 1.227 30.965 29.762 -0.040 0.000 1.417 277 H HN -0.155 nan 8.280 nan 0.000 0.445 278 R N 1.434 121.976 120.500 0.071 0.000 2.748 278 R HA 0.258 4.598 4.340 -0.000 0.000 0.283 278 R C -2.354 173.935 176.300 -0.019 0.000 1.507 278 R CA -1.687 54.422 56.100 0.015 0.000 1.666 278 R CB 0.625 30.928 30.300 0.005 0.000 1.237 278 R HN 0.204 nan 8.270 nan 0.000 0.633 279 P HA -0.062 nan 4.420 nan 0.000 0.242 279 P C 0.475 177.734 177.300 -0.069 0.000 1.197 279 P CA 0.890 63.960 63.100 -0.050 0.000 0.765 279 P CB 0.292 31.961 31.700 -0.052 0.000 0.936 280 D N -1.762 118.597 120.400 -0.069 0.000 2.369 280 D HA 0.028 4.668 4.640 -0.000 0.000 0.211 280 D C 0.435 176.660 176.300 -0.125 0.000 1.077 280 D CA -0.238 53.701 54.000 -0.100 0.000 0.842 280 D CB -0.219 40.534 40.800 -0.078 0.000 0.947 280 D HN 0.087 nan 8.370 nan 0.000 0.509 281 L N 1.426 122.595 121.223 -0.089 0.000 2.410 281 L HA 0.234 4.574 4.340 -0.000 0.000 0.273 281 L C -0.064 176.737 176.870 -0.114 0.000 1.144 281 L CA 0.056 54.853 54.840 -0.071 0.000 0.863 281 L CB 0.794 42.844 42.059 -0.015 0.000 1.140 281 L HN -0.076 nan 8.230 nan 0.000 0.463 282 M N 6.780 126.294 119.600 -0.143 0.000 2.108 282 M HA 0.362 4.842 4.480 -0.000 0.000 0.354 282 M C -0.660 175.702 176.300 0.102 0.000 1.229 282 M CA 0.029 55.212 55.300 -0.196 0.000 1.081 282 M CB 0.750 33.171 32.600 -0.298 0.000 1.606 282 M HN 0.454 nan 8.290 nan 0.000 0.467 283 I N 4.237 124.938 120.570 0.219 0.000 2.377 283 I HA 0.358 4.527 4.170 -0.000 0.000 0.293 283 I C -0.925 175.344 176.117 0.253 0.000 0.987 283 I CA -0.875 60.581 61.300 0.260 0.000 1.185 283 I CB 1.802 39.967 38.000 0.275 0.000 1.341 283 I HN 0.483 nan 8.210 nan 0.000 0.455 284 L N 6.585 127.906 121.223 0.164 0.000 2.353 284 L HA 0.473 4.813 4.340 -0.000 0.000 0.270 284 L C -0.399 176.575 176.870 0.172 0.000 1.003 284 L CA 0.179 55.099 54.840 0.134 0.000 0.862 284 L CB 1.414 43.472 42.059 -0.002 0.000 1.221 284 L HN 0.532 nan 8.230 nan 0.000 0.430 285 T N 2.870 117.506 114.554 0.135 0.000 2.797 285 T HA 0.379 4.729 4.350 -0.000 0.000 0.279 285 T C -1.191 173.588 174.700 0.132 0.000 0.991 285 T CA -0.494 61.672 62.100 0.109 0.000 0.979 285 T CB 0.670 69.617 68.868 0.132 0.000 0.943 285 T HN 0.620 nan 8.240 nan 0.000 0.444 286 D N 3.575 124.042 120.400 0.112 0.000 2.441 286 D HA 0.293 4.933 4.640 -0.000 0.000 0.231 286 D C -0.639 175.707 176.300 0.076 0.000 1.073 286 D CA -0.492 53.573 54.000 0.108 0.000 0.850 286 D CB 1.232 42.128 40.800 0.160 0.000 1.062 286 D HN 0.437 nan 8.370 nan 0.000 0.524 287 D N 3.435 123.893 120.400 0.097 0.000 2.643 287 D HA 0.011 4.651 4.640 -0.000 0.000 0.244 287 D C 1.807 178.066 176.300 -0.068 0.000 1.257 287 D CA -0.330 53.721 54.000 0.085 0.000 0.831 287 D CB 0.881 41.850 40.800 0.283 0.000 1.043 287 D HN 0.211 nan 8.370 nan 0.000 0.488 288 V N -0.085 119.666 119.914 -0.273 0.000 2.370 288 V HA -0.323 3.797 4.120 -0.000 0.000 0.252 288 V C 1.071 176.873 176.094 -0.487 0.000 1.068 288 V CA 1.935 63.907 62.300 -0.548 0.000 1.061 288 V CB -0.356 31.029 31.823 -0.729 0.000 0.656 288 V HN 0.398 nan 8.190 nan 0.000 0.455 289 Y N 0.524 120.709 120.300 -0.192 0.000 2.490 289 Y HA 0.240 4.790 4.550 -0.000 0.000 0.281 289 Y C 2.320 178.087 175.900 -0.221 0.000 1.174 289 Y CA 0.357 58.388 58.100 -0.116 0.000 1.295 289 Y CB -0.638 37.691 38.460 -0.218 0.000 1.062 289 Y HN 0.336 nan 8.280 nan 0.000 0.522 290 G N 0.647 109.165 108.800 -0.470 0.000 2.547 290 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.221 290 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.221 290 G C 1.751 176.304 174.900 -0.579 0.000 1.140 290 G CA 1.935 46.343 45.100 -1.154 0.000 0.760 290 G HN 0.456 nan 8.290 nan 0.000 0.583 291 T N -1.277 112.993 114.554 -0.474 0.000 2.962 291 T HA 0.002 4.352 4.350 -0.000 0.000 0.270 291 T C 1.898 176.303 174.700 -0.492 0.000 1.088 291 T CA 0.805 62.505 62.100 -0.666 0.000 1.127 291 T CB -0.363 67.581 68.868 -1.540 0.000 0.883 291 T HN 0.222 nan 8.240 nan 0.000 0.493 292 F N 2.124 121.961 119.950 -0.187 0.000 2.811 292 F HA 0.543 5.070 4.527 -0.000 0.000 0.301 292 F C 1.566 177.343 175.800 -0.039 0.000 1.151 292 F CA -0.560 57.414 58.000 -0.045 0.000 1.412 292 F CB -0.362 38.681 39.000 0.071 0.000 1.113 292 F HN 0.255 nan 8.300 nan 0.000 0.579 293 A N -0.186 122.687 122.820 0.089 0.000 2.269 293 A HA 0.321 4.641 4.320 -0.000 0.000 0.319 293 A C 0.760 178.399 177.584 0.091 0.000 1.110 293 A CA -0.602 51.495 52.037 0.100 0.000 0.847 293 A CB 0.462 19.547 19.000 0.143 0.000 1.161 293 A HN 0.059 nan 8.150 nan 0.000 0.497 294 D N 0.031 120.489 120.400 0.097 0.000 2.083 294 D HA -0.044 4.596 4.640 -0.000 0.000 0.199 294 D C -0.191 176.163 176.300 0.091 0.000 0.980 294 D CA 1.395 55.443 54.000 0.081 0.000 0.851 294 D CB 0.069 40.905 40.800 0.060 0.000 0.997 294 D HN 0.560 nan 8.370 nan 0.000 0.449 295 D N 0.117 120.576 120.400 0.098 0.000 2.863 295 D HA 0.069 4.709 4.640 -0.000 0.000 0.323 295 D C -0.335 176.035 176.300 0.116 0.000 1.286 295 D CA -0.454 53.596 54.000 0.083 0.000 0.921 295 D CB -0.134 40.692 40.800 0.045 0.000 1.024 295 D HN -0.038 nan 8.370 nan 0.000 0.505 296 F N 2.195 122.140 119.950 -0.009 0.000 2.642 296 F HA -0.044 4.483 4.527 -0.000 0.000 0.371 296 F C 0.448 176.246 175.800 -0.004 0.000 1.120 296 F CA 0.658 58.657 58.000 -0.002 0.000 1.331 296 F CB 0.584 39.575 39.000 -0.015 0.000 1.044 296 F HN 0.071 nan 8.300 nan 0.000 0.594 297 Q N 4.417 123.683 119.800 -0.889 0.000 2.263 297 Q HA 0.349 4.689 4.340 -0.000 0.000 0.266 297 Q C -1.209 174.163 176.000 -1.045 0.000 1.002 297 Q CA -0.680 54.730 55.803 -0.655 0.000 0.790 297 Q CB 1.722 30.277 28.738 -0.305 0.000 1.272 297 Q HN 0.760 nan 8.270 nan 0.000 0.435 298 S N 2.982 118.299 115.700 -0.639 0.000 2.652 298 S HA 0.347 4.817 4.470 -0.000 0.000 0.270 298 S C 0.942 175.499 174.600 -0.071 0.000 1.243 298 S CA -0.496 57.522 58.200 -0.302 0.000 0.999 298 S CB 0.612 63.892 63.200 0.132 0.000 0.973 298 S HN 0.820 nan 8.310 nan 0.000 0.544 299 L N 2.007 123.270 121.223 0.066 0.000 2.275 299 L HA 0.030 4.370 4.340 -0.000 0.000 0.215 299 L C 1.906 178.863 176.870 0.144 0.000 1.119 299 L CA 0.835 55.741 54.840 0.109 0.000 0.790 299 L CB -0.402 41.759 42.059 0.171 0.000 0.919 299 L HN 0.783 nan 8.230 nan 0.000 0.443 300 F N 0.643 120.628 119.950 0.058 0.000 2.293 300 F HA -0.111 4.416 4.527 -0.000 0.000 0.300 300 F C 2.250 178.083 175.800 0.055 0.000 1.086 300 F CA 0.987 59.033 58.000 0.077 0.000 1.375 300 F CB -0.087 38.966 39.000 0.089 0.000 1.045 300 F HN -0.011 nan 8.300 nan 0.000 0.516 301 A N -0.105 122.660 122.820 -0.091 0.000 2.021 301 A HA 0.042 4.362 4.320 -0.000 0.000 0.216 301 A C 2.055 179.548 177.584 -0.152 0.000 1.163 301 A CA 1.033 52.967 52.037 -0.171 0.000 0.676 301 A CB -0.612 18.339 19.000 -0.081 0.000 0.818 301 A HN 0.318 nan 8.150 nan 0.000 0.453 302 I N -0.876 119.635 120.570 -0.099 0.000 2.400 302 I HA -0.040 4.129 4.170 -0.000 0.000 0.248 302 I C 0.388 176.464 176.117 -0.069 0.000 1.109 302 I CA 0.856 62.116 61.300 -0.067 0.000 1.425 302 I CB -0.905 37.078 38.000 -0.029 0.000 1.094 302 I HN 0.251 nan 8.210 nan 0.000 0.425 303 C N 1.897 121.159 119.300 -0.064 0.000 3.414 303 C HA 0.303 4.763 4.460 -0.000 0.000 0.208 303 C C -1.099 173.838 174.990 -0.089 0.000 1.422 303 C CA -0.797 58.190 59.018 -0.052 0.000 1.437 303 C CB 0.235 27.985 27.740 0.017 0.000 1.850 303 C HN 0.159 nan 8.230 nan 0.000 0.481 304 P HA -0.183 nan 4.420 nan 0.000 0.216 304 P C 1.518 178.772 177.300 -0.076 0.000 1.153 304 P CA 1.642 64.502 63.100 -0.400 0.000 0.858 304 P CB 0.162 31.674 31.700 -0.313 0.000 0.789 305 E N -1.056 119.064 120.200 -0.133 0.000 2.347 305 E HA -0.082 4.268 4.350 -0.000 0.000 0.196 305 E C 0.654 177.290 176.600 0.059 0.000 1.008 305 E CA 0.906 57.251 56.400 -0.093 0.000 0.852 305 E CB -0.764 28.821 29.700 -0.192 0.000 0.783 305 E HN 0.432 nan 8.360 nan 0.000 0.505 306 N N 0.073 118.825 118.700 0.087 0.000 2.184 306 N HA 0.045 4.785 4.740 -0.000 0.000 0.206 306 N C -0.807 174.878 175.510 0.293 0.000 1.151 306 N CA 0.181 53.293 53.050 0.104 0.000 0.878 306 N CB 1.256 39.762 38.487 0.031 0.000 1.014 306 N HN -0.116 nan 8.380 nan 0.000 0.512 307 T N 0.516 115.316 114.554 0.411 0.000 2.807 307 T HA 0.409 4.759 4.350 -0.000 0.000 0.279 307 T C -0.472 174.504 174.700 0.460 0.000 0.993 307 T CA -0.516 61.873 62.100 0.483 0.000 0.970 307 T CB 1.757 70.908 68.868 0.471 0.000 0.950 307 T HN -0.046 nan 8.240 nan 0.000 0.441 308 L N 3.771 125.143 121.223 0.249 0.000 2.262 308 L HA 0.479 4.819 4.340 -0.000 0.000 0.288 308 L C -0.681 176.192 176.870 0.004 0.000 1.035 308 L CA -0.956 53.872 54.840 -0.019 0.000 0.820 308 L CB 1.078 42.998 42.059 -0.232 0.000 1.204 308 L HN 0.425 nan 8.230 nan 0.000 0.424 309 L N 5.750 126.897 121.223 -0.125 0.000 2.275 309 L HA 0.474 4.814 4.340 -0.000 0.000 0.288 309 L C -0.644 176.194 176.870 -0.053 0.000 1.046 309 L CA -0.030 54.736 54.840 -0.125 0.000 0.805 309 L CB 1.629 43.429 42.059 -0.431 0.000 1.193 309 L HN 0.219 nan 8.230 nan 0.000 0.426 310 V N 6.450 126.387 119.914 0.039 0.000 2.357 310 V HA 0.340 4.460 4.120 -0.000 0.000 0.284 310 V C -1.163 174.998 176.094 0.112 0.000 1.018 310 V CA -0.493 61.846 62.300 0.065 0.000 0.841 310 V CB 1.019 32.886 31.823 0.074 0.000 0.991 310 V HN 0.699 nan 8.190 nan 0.000 0.437 311 Y N 4.137 124.433 120.300 -0.006 0.000 2.338 311 Y HA 0.640 5.190 4.550 -0.000 0.000 0.333 311 Y C 0.078 175.981 175.900 0.005 0.000 0.968 311 Y CA -0.318 57.762 58.100 -0.033 0.000 1.123 311 Y CB 2.035 40.462 38.460 -0.055 0.000 1.165 311 Y HN 0.583 nan 8.280 nan 0.000 0.452 312 S N 4.458 119.667 115.700 -0.818 0.000 2.549 312 S HA 0.434 4.904 4.470 -0.000 0.000 0.297 312 S C -0.104 174.069 174.600 -0.711 0.000 1.115 312 S CA -0.452 57.463 58.200 -0.475 0.000 1.059 312 S CB 0.504 63.547 63.200 -0.262 0.000 1.046 312 S HN 0.637 nan 8.310 nan 0.000 0.506 313 F N 2.038 121.877 119.950 -0.185 0.000 2.749 313 F HA 0.206 4.733 4.527 -0.000 0.000 0.300 313 F C 2.435 178.275 175.800 0.066 0.000 1.103 313 F CA 0.019 58.062 58.000 0.072 0.000 1.342 313 F CB -0.309 38.750 39.000 0.099 0.000 1.098 313 F HN 0.525 nan 8.300 nan 0.000 0.586 314 S N 0.360 116.131 115.700 0.119 0.000 2.368 314 S HA -0.222 4.248 4.470 -0.000 0.000 0.226 314 S C 2.142 176.794 174.600 0.086 0.000 1.044 314 S CA 1.506 59.759 58.200 0.089 0.000 1.062 314 S CB -0.126 63.090 63.200 0.026 0.000 0.931 314 S HN 0.219 nan 8.310 nan 0.000 0.440 315 K N 0.232 120.665 120.400 0.056 0.000 2.044 315 K HA 0.103 4.423 4.320 -0.000 0.000 0.204 315 K C 1.910 178.803 176.600 0.488 0.000 1.049 315 K CA 0.940 57.350 56.287 0.205 0.000 0.945 315 K CB -0.984 31.551 32.500 0.058 0.000 0.724 315 K HN 0.416 nan 8.250 nan 0.000 0.440 316 Y N 0.744 121.159 120.300 0.192 0.000 2.224 316 Y HA -0.140 4.410 4.550 -0.000 0.000 0.289 316 Y C 1.437 177.264 175.900 -0.121 0.000 1.146 316 Y CA 1.255 59.305 58.100 -0.083 0.000 1.182 316 Y CB -0.262 37.886 38.460 -0.520 0.000 0.983 316 Y HN -0.061 nan 8.280 nan 0.000 0.524 317 F N -0.550 119.420 119.950 0.034 0.000 2.695 317 F HA 0.345 4.872 4.527 -0.000 0.000 0.303 317 F C 1.668 177.411 175.800 -0.094 0.000 1.091 317 F CA 0.334 58.187 58.000 -0.244 0.000 1.300 317 F CB -0.040 38.322 39.000 -1.063 0.000 1.071 317 F HN 0.035 nan 8.300 nan 0.000 0.578 318 G N 1.395 110.260 108.800 0.108 0.000 2.314 318 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.292 318 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.292 318 G C 0.507 175.458 174.900 0.086 0.000 1.059 318 G CA 0.296 45.385 45.100 -0.018 0.000 0.982 318 G HN 0.630 nan 8.290 nan 0.000 0.505 319 A N -0.149 122.744 122.820 0.121 0.000 2.637 319 A HA 0.618 4.938 4.320 -0.000 0.000 0.293 319 A C 1.981 179.696 177.584 0.219 0.000 1.216 319 A CA 1.339 53.525 52.037 0.247 0.000 0.956 319 A CB -0.227 18.911 19.000 0.229 0.000 1.174 319 A HN 1.509 nan 8.150 nan 0.000 0.525 320 T N -3.202 111.423 114.554 0.119 0.000 2.778 320 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 320 T C 1.711 176.462 174.700 0.084 0.000 1.050 320 T CA 2.034 64.186 62.100 0.087 0.000 1.137 320 T CB -0.454 68.442 68.868 0.046 0.000 0.860 320 T HN 0.479 nan 8.240 nan 0.000 0.468 321 G N -1.059 107.780 108.800 0.065 0.000 2.712 321 G HA2 0.068 4.028 3.960 -0.000 0.000 0.212 321 G HA3 0.068 4.028 3.960 -0.000 0.000 0.212 321 G C 1.069 175.941 174.900 -0.047 0.000 1.142 321 G CA -0.192 44.896 45.100 -0.019 0.000 0.789 321 G HN 0.634 nan 8.290 nan 0.000 0.535 322 W N 0.381 121.691 121.300 0.017 0.000 2.658 322 W HA 0.197 4.857 4.660 -0.000 0.000 0.263 322 W C 0.584 177.104 176.519 0.002 0.000 1.274 322 W CA -0.238 57.107 57.345 0.000 0.000 1.343 322 W CB 0.565 30.038 29.460 0.022 0.000 1.106 322 W HN -0.030 nan 8.180 nan 0.000 0.615 323 R N 0.280 120.925 120.500 0.242 0.000 3.152 323 R HA -0.188 4.152 4.340 -0.000 0.000 0.252 323 R C -1.338 175.053 176.300 0.153 0.000 0.930 323 R CA 0.739 56.930 56.100 0.152 0.000 0.642 323 R CB -3.158 27.203 30.300 0.101 0.000 1.205 323 R HN 0.286 nan 8.270 nan 0.000 0.452 324 L N 0.001 121.324 121.223 0.165 0.000 2.319 324 L HA 0.823 5.163 4.340 -0.000 0.000 0.281 324 L C 0.985 177.986 176.870 0.219 0.000 1.005 324 L CA -0.446 54.460 54.840 0.109 0.000 0.828 324 L CB 2.243 44.286 42.059 -0.026 0.000 1.227 324 L HN 0.459 nan 8.230 nan 0.000 0.415 325 G N 1.857 110.758 108.800 0.168 0.000 2.684 325 G HA2 0.730 4.690 3.960 -0.000 0.000 0.290 325 G HA3 0.730 4.690 3.960 -0.000 0.000 0.290 325 G C -1.497 173.510 174.900 0.178 0.000 1.425 325 G CA -0.553 44.687 45.100 0.233 0.000 0.822 325 G HN 0.481 nan 8.290 nan 0.000 0.482 326 V N -2.406 117.640 119.914 0.220 0.000 3.049 326 V HA 0.870 4.990 4.120 -0.000 0.000 0.309 326 V C -0.904 175.244 176.094 0.090 0.000 1.148 326 V CA -1.055 61.331 62.300 0.143 0.000 0.990 326 V CB 1.599 33.565 31.823 0.238 0.000 1.039 326 V HN 0.744 nan 8.190 nan 0.000 0.430 327 V N 2.930 122.876 119.914 0.052 0.000 2.398 327 V HA 0.858 4.978 4.120 -0.000 0.000 0.286 327 V C 0.666 176.771 176.094 0.019 0.000 1.026 327 V CA 0.256 62.578 62.300 0.037 0.000 0.868 327 V CB 1.185 33.054 31.823 0.077 0.000 0.982 327 V HN 1.420 nan 8.190 nan 0.000 0.443 328 A N 4.139 126.896 122.820 -0.104 0.000 2.325 328 A HA 0.991 5.311 4.320 -0.000 0.000 0.333 328 A C -0.111 177.351 177.584 -0.203 0.000 1.155 328 A CA -0.229 51.687 52.037 -0.202 0.000 0.814 328 A CB 1.480 20.199 19.000 -0.468 0.000 1.206 328 A HN 1.431 nan 8.150 nan 0.000 0.482 329 A N 1.215 124.025 122.820 -0.016 0.000 2.520 329 A HA 0.619 4.939 4.320 -0.000 0.000 0.298 329 A C -0.830 176.955 177.584 0.335 0.000 1.051 329 A CA -0.556 51.587 52.037 0.176 0.000 0.690 329 A CB 0.812 19.889 19.000 0.127 0.000 1.281 329 A HN 1.017 nan 8.150 nan 0.000 0.402 330 H N 1.673 120.970 119.070 0.379 0.000 2.629 330 H HA 0.138 4.694 4.556 -0.000 0.000 0.357 330 H C 1.401 176.838 175.328 0.181 0.000 1.121 330 H CA 0.763 56.979 56.048 0.279 0.000 1.406 330 H CB 1.412 31.293 29.762 0.199 0.000 1.456 330 H HN 0.847 nan 8.280 nan 0.000 0.579 331 Q N 2.751 122.699 119.800 0.246 0.000 2.152 331 Q HA -0.180 4.160 4.340 -0.000 0.000 0.206 331 Q C -0.156 176.029 176.000 0.309 0.000 0.985 331 Q CA 1.326 57.266 55.803 0.228 0.000 0.863 331 Q CB -0.015 28.786 28.738 0.105 0.000 0.904 331 Q HN 0.565 nan 8.270 nan 0.000 0.422 332 Q N 2.123 122.216 119.800 0.489 0.000 2.425 332 Q HA 0.288 4.628 4.340 -0.000 0.000 0.254 332 Q C -0.988 175.067 176.000 0.091 0.000 1.032 332 Q CA -0.563 55.354 55.803 0.189 0.000 0.798 332 Q CB 0.942 29.729 28.738 0.082 0.000 1.210 332 Q HN 0.339 nan 8.270 nan 0.000 0.491 333 N N -0.227 118.564 118.700 0.153 0.000 2.469 333 N HA 0.192 4.932 4.740 -0.000 0.000 0.286 333 N C 0.781 176.358 175.510 0.111 0.000 1.275 333 N CA -0.579 52.575 53.050 0.173 0.000 0.790 333 N CB 1.449 40.161 38.487 0.376 0.000 1.446 333 N HN 0.243 nan 8.380 nan 0.000 0.501 334 V N -2.434 117.494 119.914 0.023 0.000 2.913 334 V HA -0.030 4.090 4.120 -0.000 0.000 0.260 334 V C 1.501 177.451 176.094 -0.241 0.000 1.098 334 V CA 1.038 63.246 62.300 -0.153 0.000 1.121 334 V CB -1.250 30.401 31.823 -0.286 0.000 0.714 334 V HN 0.509 nan 8.190 nan 0.000 0.487 335 F N 1.259 121.165 119.950 -0.074 0.000 2.206 335 F HA 0.043 4.570 4.527 -0.000 0.000 0.298 335 F C 2.362 178.093 175.800 -0.115 0.000 1.090 335 F CA 1.677 59.560 58.000 -0.194 0.000 1.323 335 F CB -0.600 38.181 39.000 -0.365 0.000 1.028 335 F HN 0.165 nan 8.300 nan 0.000 0.492 336 D N 0.320 120.825 120.400 0.176 0.000 2.183 336 D HA -0.079 4.561 4.640 -0.000 0.000 0.203 336 D C 2.414 178.751 176.300 0.062 0.000 0.969 336 D CA 0.958 55.039 54.000 0.134 0.000 0.842 336 D CB -0.295 40.592 40.800 0.145 0.000 0.957 336 D HN 0.259 nan 8.370 nan 0.000 0.484 337 L N 0.832 122.070 121.223 0.025 0.000 2.056 337 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 337 L C 2.565 179.421 176.870 -0.024 0.000 1.078 337 L CA 1.057 55.893 54.840 -0.006 0.000 0.749 337 L CB -0.400 41.639 42.059 -0.032 0.000 0.901 337 L HN -0.048 nan 8.230 nan 0.000 0.433 338 A N -0.191 122.594 122.820 -0.059 0.000 2.015 338 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 338 A C 2.250 179.821 177.584 -0.021 0.000 1.163 338 A CA 1.202 53.198 52.037 -0.068 0.000 0.646 338 A CB -0.530 18.387 19.000 -0.138 0.000 0.806 338 A HN 0.369 nan 8.150 nan 0.000 0.448 339 L N -0.955 120.274 121.223 0.010 0.000 2.179 339 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 339 L C 2.055 178.953 176.870 0.046 0.000 1.096 339 L CA 1.027 55.897 54.840 0.050 0.000 0.779 339 L CB -0.364 41.752 42.059 0.094 0.000 0.922 339 L HN 0.352 nan 8.230 nan 0.000 0.443 340 D N 0.586 121.006 120.400 0.034 0.000 2.097 340 D HA -0.154 4.486 4.640 -0.000 0.000 0.197 340 D C 1.650 177.961 176.300 0.020 0.000 0.984 340 D CA 1.198 55.215 54.000 0.029 0.000 0.826 340 D CB 0.099 40.912 40.800 0.021 0.000 0.973 340 D HN 0.292 nan 8.370 nan 0.000 0.460 341 K N 0.485 120.890 120.400 0.008 0.000 2.569 341 K HA 0.103 4.423 4.320 -0.000 0.000 0.193 341 K C 0.812 177.417 176.600 0.008 0.000 1.026 341 K CA -0.175 56.114 56.287 0.003 0.000 1.093 341 K CB 0.312 32.806 32.500 -0.009 0.000 0.849 341 K HN 0.140 nan 8.250 nan 0.000 0.509 342 L N 1.309 122.543 121.223 0.019 0.000 2.476 342 L HA 0.008 4.348 4.340 -0.000 0.000 0.264 342 L C 0.817 177.701 176.870 0.023 0.000 1.224 342 L CA -0.039 54.816 54.840 0.025 0.000 0.821 342 L CB 0.370 42.454 42.059 0.041 0.000 1.101 342 L HN 0.235 nan 8.230 nan 0.000 0.488 343 Q N 0.572 120.386 119.800 0.023 0.000 2.314 343 Q HA -0.055 4.285 4.340 -0.000 0.000 0.258 343 Q C 0.681 176.696 176.000 0.025 0.000 0.954 343 Q CA -0.260 55.555 55.803 0.020 0.000 0.890 343 Q CB 1.328 30.076 28.738 0.018 0.000 1.210 343 Q HN 0.479 nan 8.270 nan 0.000 0.410 344 E N 1.550 121.763 120.200 0.022 0.000 2.147 344 E HA -0.266 4.084 4.350 -0.000 0.000 0.199 344 E C 1.560 178.175 176.600 0.026 0.000 1.005 344 E CA 2.354 58.768 56.400 0.024 0.000 0.810 344 E CB -0.038 29.674 29.700 0.020 0.000 0.736 344 E HN 0.708 nan 8.360 nan 0.000 0.460 345 S N -0.226 115.487 115.700 0.021 0.000 2.382 345 S HA -0.203 4.267 4.470 -0.000 0.000 0.228 345 S C 1.860 176.474 174.600 0.024 0.000 1.027 345 S CA 1.230 59.441 58.200 0.020 0.000 0.991 345 S CB -0.449 62.759 63.200 0.014 0.000 0.823 345 S HN 0.413 nan 8.310 nan 0.000 0.469 346 E N 1.856 122.072 120.200 0.028 0.000 2.031 346 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 346 E C 2.246 178.873 176.600 0.046 0.000 0.994 346 E CA 1.226 57.647 56.400 0.035 0.000 0.800 346 E CB -0.225 29.498 29.700 0.039 0.000 0.752 346 E HN 0.567 nan 8.360 nan 0.000 0.447 347 K N 0.716 121.146 120.400 0.050 0.000 2.074 347 K HA -0.161 4.159 4.320 -0.000 0.000 0.209 347 K C 2.236 178.873 176.600 0.061 0.000 1.048 347 K CA 1.405 57.729 56.287 0.063 0.000 0.926 347 K CB -0.255 32.278 32.500 0.056 0.000 0.713 347 K HN -0.001 nan 8.250 nan 0.000 0.444 348 V N 1.313 121.257 119.914 0.049 0.000 2.407 348 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 348 V C 2.364 178.493 176.094 0.059 0.000 1.055 348 V CA 2.015 64.346 62.300 0.052 0.000 1.049 348 V CB -0.707 31.140 31.823 0.040 0.000 0.662 348 V HN 0.377 nan 8.190 nan 0.000 0.455 349 A N -0.375 122.470 122.820 0.041 0.000 1.930 349 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 349 A C 2.203 179.802 177.584 0.025 0.000 1.175 349 A CA 1.475 53.529 52.037 0.027 0.000 0.627 349 A CB -0.443 18.561 19.000 0.007 0.000 0.815 349 A HN 0.496 nan 8.150 nan 0.000 0.443 350 L N -0.667 120.574 121.223 0.030 0.000 2.141 350 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 350 L C 1.861 178.756 176.870 0.042 0.000 1.094 350 L CA 1.271 56.119 54.840 0.013 0.000 0.763 350 L CB -0.582 41.550 42.059 0.121 0.000 0.908 350 L HN 0.276 nan 8.230 nan 0.000 0.437 351 D N -1.290 119.157 120.400 0.079 0.000 2.218 351 D HA -0.207 4.433 4.640 -0.000 0.000 0.204 351 D C 2.094 178.418 176.300 0.040 0.000 0.976 351 D CA 0.998 55.044 54.000 0.077 0.000 0.853 351 D CB -0.022 40.819 40.800 0.068 0.000 0.939 351 D HN 0.261 nan 8.370 nan 0.000 0.481 352 H N -0.168 118.886 119.070 -0.027 0.000 2.525 352 H HA 0.150 4.706 4.556 -0.000 0.000 0.275 352 H C 2.004 177.279 175.328 -0.089 0.000 0.984 352 H CA 0.544 56.567 56.048 -0.041 0.000 1.264 352 H CB 0.443 30.183 29.762 -0.038 0.000 1.432 352 H HN 0.046 nan 8.280 nan 0.000 0.549 353 R N 0.034 120.494 120.500 -0.065 0.000 2.064 353 R HA -0.128 4.212 4.340 -0.000 0.000 0.228 353 R C 0.821 176.952 176.300 -0.283 0.000 1.144 353 R CA 1.393 57.329 56.100 -0.273 0.000 0.932 353 R CB -0.307 29.619 30.300 -0.624 0.000 0.833 353 R HN 0.257 nan 8.270 nan 0.000 0.429 354 Y N 1.575 121.867 120.300 -0.013 0.000 2.547 354 Y HA 0.108 4.658 4.550 -0.000 0.000 0.325 354 Y C 1.733 177.594 175.900 -0.066 0.000 1.165 354 Y CA -0.426 57.648 58.100 -0.044 0.000 1.300 354 Y CB -0.036 38.403 38.460 -0.035 0.000 1.126 354 Y HN 0.236 nan 8.280 nan 0.000 0.513 355 R N -0.235 120.258 120.500 -0.011 0.000 2.073 355 R HA -0.147 4.193 4.340 -0.000 0.000 0.234 355 R C 1.938 178.209 176.300 -0.049 0.000 1.134 355 R CA 1.682 57.738 56.100 -0.072 0.000 0.952 355 R CB -0.938 29.219 30.300 -0.238 0.000 0.850 355 R HN 0.279 nan 8.270 nan 0.000 0.433 356 S N 0.204 115.874 115.700 -0.050 0.000 2.607 356 S HA 0.059 4.529 4.470 -0.000 0.000 0.224 356 S C 1.657 176.240 174.600 -0.027 0.000 0.969 356 S CA 0.134 58.312 58.200 -0.036 0.000 0.927 356 S CB -0.094 63.082 63.200 -0.040 0.000 0.772 356 S HN 0.343 nan 8.310 nan 0.000 0.533 357 L N 0.173 121.387 121.223 -0.014 0.000 2.121 357 L HA 0.453 4.793 4.340 -0.000 0.000 0.200 357 L C 0.641 177.504 176.870 -0.011 0.000 1.077 357 L CA 0.687 55.504 54.840 -0.038 0.000 0.766 357 L CB 0.163 42.207 42.059 -0.025 0.000 0.931 357 L HN 0.544 nan 8.230 nan 0.000 0.452 358 L N -5.929 115.295 121.223 0.001 0.000 2.630 358 L HA 0.466 4.806 4.340 -0.000 0.000 0.258 358 L C -2.363 174.511 176.870 0.006 0.000 1.072 358 L CA -1.257 53.586 54.840 0.004 0.000 0.885 358 L CB 0.828 42.884 42.059 -0.005 0.000 1.502 358 L HN -0.294 nan 8.230 nan 0.000 0.406 359 P HA -0.058 nan 4.420 nan 0.000 0.216 359 P C -0.031 177.276 177.300 0.011 0.000 1.156 359 P CA 0.988 64.091 63.100 0.006 0.000 0.855 359 P CB 0.165 31.868 31.700 0.005 0.000 0.786 360 D N 0.545 120.952 120.400 0.012 0.000 2.639 360 D HA 0.098 4.738 4.640 -0.000 0.000 0.233 360 D C 1.270 177.584 176.300 0.023 0.000 1.161 360 D CA -0.442 53.569 54.000 0.018 0.000 1.003 360 D CB 0.004 40.812 40.800 0.015 0.000 1.034 360 D HN -0.262 nan 8.370 nan 0.000 0.514 361 V N 3.111 123.049 119.914 0.039 0.000 2.660 361 V HA -0.233 3.887 4.120 -0.000 0.000 0.257 361 V C 2.381 178.511 176.094 0.060 0.000 1.088 361 V CA 1.471 63.809 62.300 0.063 0.000 1.106 361 V CB -0.496 31.399 31.823 0.120 0.000 0.686 361 V HN 0.463 nan 8.190 nan 0.000 0.481 362 R N 0.517 121.049 120.500 0.053 0.000 2.280 362 R HA -0.064 4.276 4.340 -0.000 0.000 0.207 362 R C 2.265 178.589 176.300 0.040 0.000 1.043 362 R CA 1.291 57.422 56.100 0.052 0.000 1.006 362 R CB -0.180 30.148 30.300 0.045 0.000 0.885 362 R HN 0.737 nan 8.270 nan 0.000 0.467 363 S N -0.160 115.555 115.700 0.025 0.000 2.503 363 S HA 0.040 4.510 4.470 -0.000 0.000 0.215 363 S C 0.712 175.313 174.600 0.002 0.000 1.003 363 S CA -0.458 57.753 58.200 0.018 0.000 0.910 363 S CB 0.045 63.253 63.200 0.013 0.000 0.790 363 S HN 0.102 nan 8.310 nan 0.000 0.514 364 L N 3.894 125.105 121.223 -0.020 0.000 2.698 364 L HA 0.220 4.560 4.340 -0.000 0.000 0.272 364 L C 0.114 176.949 176.870 -0.059 0.000 1.154 364 L CA 0.213 55.007 54.840 -0.077 0.000 0.964 364 L CB -0.584 41.383 42.059 -0.154 0.000 1.272 364 L HN 0.126 nan 8.230 nan 0.000 0.483 365 K N 3.648 124.023 120.400 -0.042 0.000 2.336 365 K HA -0.072 4.248 4.320 -0.000 0.000 0.262 365 K C 0.879 177.478 176.600 -0.002 0.000 0.992 365 K CA 0.036 56.331 56.287 0.014 0.000 0.927 365 K CB 0.403 32.916 32.500 0.021 0.000 0.956 365 K HN 0.571 nan 8.250 nan 0.000 0.495 366 F N 2.359 122.285 119.950 -0.040 0.000 2.102 366 F HA -0.197 4.329 4.527 -0.000 0.000 0.298 366 F C 1.918 177.651 175.800 -0.111 0.000 1.105 366 F CA 1.348 59.315 58.000 -0.055 0.000 1.239 366 F CB -0.206 38.803 39.000 0.015 0.000 0.991 366 F HN 0.573 nan 8.300 nan 0.000 0.474 367 I N -0.065 120.395 120.570 -0.184 0.000 2.423 367 I HA -0.310 3.860 4.170 -0.000 0.000 0.254 367 I C 1.599 177.466 176.117 -0.417 0.000 1.151 367 I CA 1.789 62.915 61.300 -0.290 0.000 1.421 367 I CB -0.414 37.534 38.000 -0.086 0.000 1.079 367 I HN 0.160 nan 8.210 nan 0.000 0.431 368 D N 0.307 120.493 120.400 -0.357 0.000 2.323 368 D HA -0.048 4.592 4.640 -0.000 0.000 0.209 368 D C 2.058 178.062 176.300 -0.494 0.000 0.973 368 D CA 0.485 54.245 54.000 -0.401 0.000 0.874 368 D CB 0.129 40.766 40.800 -0.271 0.000 0.930 368 D HN 0.492 nan 8.370 nan 0.000 0.521 369 R N 0.307 120.479 120.500 -0.547 0.000 2.119 369 R HA 0.078 4.418 4.340 -0.000 0.000 0.222 369 R C 2.498 178.511 176.300 -0.478 0.000 1.088 369 R CA 0.168 55.922 56.100 -0.577 0.000 0.984 369 R CB -0.230 29.755 30.300 -0.524 0.000 0.884 369 R HN 0.160 nan 8.270 nan 0.000 0.447 370 L N 0.734 121.583 121.223 -0.624 0.000 2.013 370 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 370 L C 2.449 179.037 176.870 -0.471 0.000 1.073 370 L CA 1.379 55.950 54.840 -0.450 0.000 0.753 370 L CB -0.621 41.232 42.059 -0.343 0.000 0.890 370 L HN 0.001 nan 8.230 nan 0.000 0.432 371 V N -0.207 119.213 119.914 -0.823 0.000 2.295 371 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 371 V C 2.720 178.574 176.094 -0.398 0.000 1.049 371 V CA 1.825 63.625 62.300 -0.832 0.000 1.024 371 V CB -1.029 30.266 31.823 -0.880 0.000 0.648 371 V HN 0.496 nan 8.190 nan 0.000 0.447 372 A N 0.140 122.759 122.820 -0.335 0.000 1.877 372 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 372 A C 1.990 179.537 177.584 -0.063 0.000 1.186 372 A CA 1.967 53.901 52.037 -0.173 0.000 0.620 372 A CB -0.622 18.290 19.000 -0.147 0.000 0.822 372 A HN 0.566 nan 8.150 nan 0.000 0.443 373 D N 0.278 120.651 120.400 -0.044 0.000 2.219 373 D HA -0.120 4.520 4.640 -0.000 0.000 0.205 373 D C 2.351 178.641 176.300 -0.017 0.000 0.970 373 D CA 1.516 55.534 54.000 0.030 0.000 0.851 373 D CB -0.416 40.433 40.800 0.083 0.000 0.943 373 D HN 0.604 nan 8.370 nan 0.000 0.488 374 S N 0.427 116.034 115.700 -0.155 0.000 2.400 374 S HA -0.131 4.339 4.470 -0.000 0.000 0.232 374 S C 1.303 175.872 174.600 -0.052 0.000 1.025 374 S CA 0.738 58.776 58.200 -0.269 0.000 0.993 374 S CB 0.061 62.847 63.200 -0.690 0.000 0.808 374 S HN 0.038 nan 8.310 nan 0.000 0.478 375 R N 0.865 121.342 120.500 -0.038 0.000 2.738 375 R HA 0.550 4.890 4.340 -0.000 0.000 0.280 375 R C 0.340 176.644 176.300 0.006 0.000 1.456 375 R CA 0.230 56.335 56.100 0.008 0.000 1.612 375 R CB -0.258 30.046 30.300 0.006 0.000 1.286 375 R HN 0.461 nan 8.270 nan 0.000 0.660 376 A N 0.558 123.391 122.820 0.022 0.000 2.715 376 A HA -0.270 4.050 4.320 -0.000 0.000 0.301 376 A C 1.356 178.943 177.584 0.005 0.000 1.515 376 A CA 0.962 53.011 52.037 0.019 0.000 0.816 376 A CB -1.825 17.187 19.000 0.019 0.000 1.004 376 A HN 0.494 nan 8.150 nan 0.000 0.483 377 V N -3.920 115.999 119.914 0.009 0.000 0.579 377 V HA -0.519 3.601 4.120 -0.000 0.000 0.092 377 V C 2.529 178.597 176.094 -0.044 0.000 1.890 377 V CA 3.507 65.813 62.300 0.010 0.000 3.424 377 V CB -2.189 29.658 31.823 0.040 0.000 0.714 377 V HN 2.333 nan 8.190 nan 0.000 0.740 378 A N -0.353 122.446 122.820 -0.037 0.000 2.216 378 A HA 0.210 4.530 4.320 -0.000 0.000 0.214 378 A C 1.622 179.166 177.584 -0.067 0.000 1.160 378 A CA 1.950 53.956 52.037 -0.052 0.000 0.725 378 A CB -0.432 18.551 19.000 -0.027 0.000 0.784 378 A HN 0.725 nan 8.150 nan 0.000 0.472 379 L N -0.491 120.692 121.223 -0.065 0.000 2.910 379 L HA 0.124 4.464 4.340 -0.000 0.000 0.252 379 L C 1.834 178.651 176.870 -0.088 0.000 1.195 379 L CA -0.164 54.639 54.840 -0.062 0.000 1.003 379 L CB -0.141 41.902 42.059 -0.026 0.000 1.328 379 L HN 0.418 nan 8.230 nan 0.000 0.540 380 N N 0.956 119.563 118.700 -0.155 0.000 2.192 380 N HA -0.245 4.495 4.740 -0.000 0.000 0.188 380 N C 1.350 176.762 175.510 -0.163 0.000 1.013 380 N CA 1.626 54.554 53.050 -0.202 0.000 0.863 380 N CB 0.017 38.322 38.487 -0.303 0.000 0.990 380 N HN 0.556 nan 8.380 nan 0.000 0.430 381 H N -1.520 117.500 119.070 -0.083 0.000 2.556 381 H HA 0.059 4.615 4.556 -0.000 0.000 0.268 381 H C 0.611 175.850 175.328 -0.149 0.000 0.996 381 H CA 1.101 57.088 56.048 -0.101 0.000 1.157 381 H CB 0.408 30.106 29.762 -0.107 0.000 1.355 381 H HN 0.359 nan 8.280 nan 0.000 0.597 382 T N -2.758 111.771 114.554 -0.043 0.000 3.275 382 T HA 0.536 4.886 4.350 -0.000 0.000 0.298 382 T C 0.573 175.324 174.700 0.086 0.000 0.988 382 T CA -0.244 61.803 62.100 -0.088 0.000 0.936 382 T CB 0.334 68.994 68.868 -0.347 0.000 1.159 382 T HN 0.235 nan 8.240 nan 0.000 0.519 383 A N 0.663 123.518 122.820 0.060 0.000 2.274 383 A HA 0.974 5.294 4.320 -0.000 0.000 0.297 383 A C 0.936 178.593 177.584 0.120 0.000 1.191 383 A CA -0.034 52.047 52.037 0.074 0.000 0.889 383 A CB -0.117 18.887 19.000 0.006 0.000 1.294 383 A HN 1.664 nan 8.150 nan 0.000 0.506 384 G N -2.220 106.675 108.800 0.160 0.000 2.619 384 G HA2 0.319 4.279 3.960 -0.000 0.000 0.686 384 G HA3 0.319 4.279 3.960 -0.000 0.000 0.686 384 G C -0.777 174.233 174.900 0.182 0.000 1.256 384 G CA -0.257 44.976 45.100 0.221 0.000 0.826 384 G HN 1.694 nan 8.290 nan 0.000 0.619 385 L N 1.303 122.626 121.223 0.167 0.000 2.439 385 L HA 0.600 4.940 4.340 -0.000 0.000 0.269 385 L C 1.665 178.597 176.870 0.103 0.000 1.179 385 L CA 0.768 55.679 54.840 0.119 0.000 0.828 385 L CB 0.991 43.099 42.059 0.083 0.000 1.106 385 L HN 1.683 nan 8.230 nan 0.000 0.467 386 S N 1.383 117.141 115.700 0.097 0.000 2.558 386 S HA -0.035 4.435 4.470 -0.000 0.000 0.287 386 S C 1.333 175.972 174.600 0.065 0.000 1.321 386 S CA 0.136 58.385 58.200 0.081 0.000 1.048 386 S CB 0.260 63.518 63.200 0.096 0.000 0.844 386 S HN 0.882 nan 8.310 nan 0.000 0.512 387 T N -0.740 113.838 114.554 0.040 0.000 2.867 387 T HA 0.046 4.396 4.350 -0.000 0.000 0.268 387 T C -1.197 173.521 174.700 0.031 0.000 1.057 387 T CA 0.837 62.947 62.100 0.017 0.000 1.136 387 T CB -1.651 67.206 68.868 -0.019 0.000 0.874 387 T HN 0.528 nan 8.240 nan 0.000 0.466 388 P HA 0.005 nan 4.420 nan 0.000 0.216 388 P C 1.918 179.321 177.300 0.171 0.000 1.153 388 P CA 1.046 64.267 63.100 0.202 0.000 0.844 388 P CB -0.124 31.765 31.700 0.316 0.000 0.787 389 Q N -0.515 119.368 119.800 0.137 0.000 2.096 389 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 389 Q C 2.359 178.262 176.000 -0.161 0.000 0.982 389 Q CA 1.501 57.310 55.803 0.010 0.000 0.850 389 Q CB -0.422 28.395 28.738 0.133 0.000 0.901 389 Q HN 0.402 nan 8.270 nan 0.000 0.422 390 Q N -0.451 119.303 119.800 -0.076 0.000 2.084 390 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 390 Q C 2.223 178.130 176.000 -0.154 0.000 0.978 390 Q CA 1.368 57.107 55.803 -0.107 0.000 0.844 390 Q CB -0.004 28.716 28.738 -0.030 0.000 0.898 390 Q HN 0.238 nan 8.270 nan 0.000 0.426 391 V N 0.970 120.822 119.914 -0.103 0.000 2.343 391 V HA -0.289 3.831 4.120 -0.000 0.000 0.247 391 V C 2.286 178.262 176.094 -0.197 0.000 1.051 391 V CA 2.078 64.321 62.300 -0.095 0.000 1.036 391 V CB -0.498 31.297 31.823 -0.047 0.000 0.654 391 V HN 0.340 nan 8.190 nan 0.000 0.451 392 Q N -0.339 119.232 119.800 -0.383 0.000 2.167 392 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 392 Q C 2.110 177.516 176.000 -0.989 0.000 0.970 392 Q CA 1.967 57.208 55.803 -0.938 0.000 0.855 392 Q CB -0.422 27.176 28.738 -1.900 0.000 0.911 392 Q HN 0.620 nan 8.270 nan 0.000 0.438 393 M N -0.923 118.254 119.600 -0.706 0.000 2.117 393 M HA -0.129 4.351 4.480 -0.000 0.000 0.262 393 M C 1.820 177.816 176.300 -0.507 0.000 1.065 393 M CA 1.773 56.648 55.300 -0.710 0.000 1.114 393 M CB -0.168 32.045 32.600 -0.646 0.000 1.361 393 M HN 0.330 nan 8.290 nan 0.000 0.408 394 A N 0.455 123.094 122.820 -0.301 0.000 1.930 394 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 394 A C 1.974 179.494 177.584 -0.108 0.000 1.175 394 A CA 1.226 53.190 52.037 -0.122 0.000 0.627 394 A CB -0.842 18.151 19.000 -0.011 0.000 0.815 394 A HN 0.581 nan 8.150 nan 0.000 0.443 395 L N -1.967 119.135 121.223 -0.202 0.000 2.093 395 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 395 L C 2.394 179.176 176.870 -0.148 0.000 1.085 395 L CA 0.994 55.768 54.840 -0.111 0.000 0.755 395 L CB -0.491 41.450 42.059 -0.198 0.000 0.904 395 L HN 0.340 nan 8.230 nan 0.000 0.435 396 F N -0.026 119.640 119.950 -0.473 0.000 2.134 396 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 396 F C 2.772 178.272 175.800 -0.501 0.000 1.097 396 F CA 1.191 58.721 58.000 -0.782 0.000 1.264 396 F CB -0.953 37.133 39.000 -1.524 0.000 1.001 396 F HN -0.033 nan 8.300 nan 0.000 0.479 397 S N 0.425 116.018 115.700 -0.179 0.000 2.356 397 S HA -0.163 4.307 4.470 -0.000 0.000 0.223 397 S C 2.250 176.875 174.600 0.042 0.000 1.032 397 S CA 1.152 59.270 58.200 -0.137 0.000 1.005 397 S CB -0.664 62.549 63.200 0.022 0.000 0.867 397 S HN 0.269 nan 8.310 nan 0.000 0.449 398 L N 0.126 121.380 121.223 0.051 0.000 2.042 398 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 398 L C 2.280 179.257 176.870 0.178 0.000 1.076 398 L CA 1.328 56.168 54.840 0.001 0.000 0.749 398 L CB -0.547 41.510 42.059 -0.003 0.000 0.893 398 L HN 0.264 nan 8.230 nan 0.000 0.432 399 F N 0.872 120.974 119.950 0.253 0.000 2.126 399 F HA -0.275 4.251 4.527 -0.000 0.000 0.299 399 F C 2.347 178.239 175.800 0.154 0.000 1.096 399 F CA 1.321 59.476 58.000 0.258 0.000 1.255 399 F CB -0.352 38.641 39.000 -0.011 0.000 0.997 399 F HN 0.010 nan 8.300 nan 0.000 0.479 400 A N 0.436 123.340 122.820 0.139 0.000 1.872 400 A HA -0.068 4.252 4.320 -0.000 0.000 0.214 400 A C 2.304 179.933 177.584 0.076 0.000 1.187 400 A CA 1.533 53.654 52.037 0.140 0.000 0.614 400 A CB -1.169 18.188 19.000 0.596 0.000 0.826 400 A HN 0.448 nan 8.150 nan 0.000 0.442 401 L N -0.963 120.307 121.223 0.079 0.000 2.079 401 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 401 L C 2.638 179.397 176.870 -0.184 0.000 1.081 401 L CA 1.442 56.247 54.840 -0.059 0.000 0.752 401 L CB -0.391 41.539 42.059 -0.215 0.000 0.896 401 L HN 0.421 nan 8.230 nan 0.000 0.433 402 M N -1.343 118.113 119.600 -0.240 0.000 2.558 402 M HA -0.036 4.444 4.480 -0.000 0.000 0.255 402 M C 0.349 176.609 176.300 -0.067 0.000 1.113 402 M CA 0.428 55.637 55.300 -0.152 0.000 1.097 402 M CB -0.125 32.403 32.600 -0.120 0.000 1.426 402 M HN -0.001 nan 8.290 nan 0.000 0.488 403 D N 1.399 121.723 120.400 -0.127 0.000 2.713 403 D HA 0.015 4.655 4.640 -0.000 0.000 0.229 403 D C 1.007 177.262 176.300 -0.076 0.000 1.136 403 D CA 0.201 54.116 54.000 -0.142 0.000 1.010 403 D CB 0.350 40.965 40.800 -0.310 0.000 1.084 403 D HN 0.079 nan 8.370 nan 0.000 0.495 404 E N 1.873 122.056 120.200 -0.028 0.000 2.114 404 E HA -0.219 4.131 4.350 -0.000 0.000 0.199 404 E C 1.476 178.062 176.600 -0.023 0.000 1.008 404 E CA 1.669 58.066 56.400 -0.005 0.000 0.810 404 E CB -0.104 29.609 29.700 0.022 0.000 0.739 404 E HN 0.403 nan 8.360 nan 0.000 0.456 405 A N -0.053 122.747 122.820 -0.034 0.000 2.238 405 A HA 0.016 4.336 4.320 -0.000 0.000 0.208 405 A C 0.122 177.618 177.584 -0.146 0.000 1.177 405 A CA 0.731 52.741 52.037 -0.045 0.000 0.804 405 A CB -0.137 18.858 19.000 -0.009 0.000 0.823 405 A HN 0.294 nan 8.150 nan 0.000 0.482 406 D N -0.226 120.076 120.400 -0.163 0.000 2.708 406 D HA -0.182 4.458 4.640 -0.000 0.000 0.236 406 D C 0.783 176.876 176.300 -0.344 0.000 1.146 406 D CA 1.207 55.054 54.000 -0.256 0.000 0.662 406 D CB -1.223 39.363 40.800 -0.356 0.000 1.059 406 D HN 0.752 nan 8.370 nan 0.000 0.428 407 E N -0.962 119.142 120.200 -0.160 0.000 2.110 407 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 407 E C 1.797 178.395 176.600 -0.004 0.000 0.988 407 E CA 0.878 57.242 56.400 -0.060 0.000 0.804 407 E CB -0.074 29.634 29.700 0.013 0.000 0.745 407 E HN 0.576 nan 8.360 nan 0.000 0.458 408 Y N 1.981 122.205 120.300 -0.125 0.000 2.145 408 Y HA -0.228 4.322 4.550 -0.000 0.000 0.286 408 Y C 2.314 178.164 175.900 -0.082 0.000 1.145 408 Y CA 1.858 59.910 58.100 -0.080 0.000 1.148 408 Y CB -0.007 38.376 38.460 -0.128 0.000 0.981 408 Y HN -0.192 nan 8.280 nan 0.000 0.507 409 K N -0.877 119.502 120.400 -0.037 0.000 2.063 409 K HA -0.242 4.078 4.320 -0.000 0.000 0.208 409 K C 1.871 178.447 176.600 -0.040 0.000 1.048 409 K CA 2.119 58.386 56.287 -0.034 0.000 0.928 409 K CB -0.473 32.028 32.500 0.002 0.000 0.713 409 K HN 0.598 nan 8.250 nan 0.000 0.442 410 H N -0.965 118.061 119.070 -0.075 0.000 2.395 410 H HA -0.043 4.513 4.556 -0.000 0.000 0.299 410 H C 1.904 177.162 175.328 -0.117 0.000 1.070 410 H CA 1.252 57.256 56.048 -0.074 0.000 1.356 410 H CB 0.244 29.983 29.762 -0.039 0.000 1.401 410 H HN 0.255 nan 8.280 nan 0.000 0.524 411 T N 1.180 115.712 114.554 -0.037 0.000 2.708 411 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 411 T C 2.161 176.724 174.700 -0.228 0.000 1.037 411 T CA 0.849 62.877 62.100 -0.120 0.000 1.146 411 T CB -0.223 68.557 68.868 -0.146 0.000 0.865 411 T HN 0.218 nan 8.240 nan 0.000 0.435 412 L N 0.370 121.367 121.223 -0.377 0.000 2.083 412 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 412 L C 2.626 179.385 176.870 -0.184 0.000 1.083 412 L CA 1.445 56.025 54.840 -0.432 0.000 0.752 412 L CB -0.473 41.255 42.059 -0.553 0.000 0.899 412 L HN 0.256 nan 8.230 nan 0.000 0.433 413 K N -0.451 119.905 120.400 -0.073 0.000 2.097 413 K HA -0.174 4.146 4.320 -0.000 0.000 0.205 413 K C 2.161 178.729 176.600 -0.053 0.000 1.050 413 K CA 1.000 57.285 56.287 -0.004 0.000 0.938 413 K CB -0.033 32.489 32.500 0.036 0.000 0.718 413 K HN 0.326 nan 8.250 nan 0.000 0.442 414 Q N 0.400 120.157 119.800 -0.070 0.000 2.172 414 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 414 Q C 2.070 178.014 176.000 -0.092 0.000 0.964 414 Q CA 0.754 56.512 55.803 -0.075 0.000 0.855 414 Q CB 0.054 28.755 28.738 -0.062 0.000 0.918 414 Q HN 0.161 nan 8.270 nan 0.000 0.444 415 L N 0.585 121.733 121.223 -0.125 0.000 2.093 415 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 415 L C 1.930 178.714 176.870 -0.143 0.000 1.085 415 L CA 1.394 56.152 54.840 -0.136 0.000 0.755 415 L CB -0.357 41.577 42.059 -0.208 0.000 0.904 415 L HN 0.201 nan 8.230 nan 0.000 0.435 416 I N -0.509 119.970 120.570 -0.151 0.000 2.179 416 I HA -0.217 3.953 4.170 -0.000 0.000 0.242 416 I C 2.545 178.565 176.117 -0.163 0.000 1.088 416 I CA 1.083 62.281 61.300 -0.171 0.000 1.357 416 I CB -1.166 36.757 38.000 -0.130 0.000 1.051 416 I HN 0.320 nan 8.210 nan 0.000 0.409 417 R N 0.461 120.891 120.500 -0.116 0.000 2.120 417 R HA -0.164 4.176 4.340 -0.000 0.000 0.234 417 R C 2.215 178.456 176.300 -0.098 0.000 1.123 417 R CA 0.941 56.980 56.100 -0.101 0.000 0.975 417 R CB -0.934 29.320 30.300 -0.078 0.000 0.866 417 R HN 0.302 nan 8.270 nan 0.000 0.446 418 R N 1.233 121.676 120.500 -0.095 0.000 2.073 418 R HA -0.043 4.297 4.340 -0.000 0.000 0.234 418 R C 2.206 178.447 176.300 -0.100 0.000 1.134 418 R CA 1.551 57.608 56.100 -0.073 0.000 0.952 418 R CB -0.155 30.113 30.300 -0.054 0.000 0.850 418 R HN 0.123 nan 8.270 nan 0.000 0.433 419 R N -0.060 120.332 120.500 -0.181 0.000 2.096 419 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 419 R C 2.310 178.381 176.300 -0.381 0.000 1.127 419 R CA 1.605 57.489 56.100 -0.361 0.000 0.968 419 R CB -0.359 29.563 30.300 -0.631 0.000 0.861 419 R HN 0.432 nan 8.270 nan 0.000 0.440 420 E N 0.217 120.269 120.200 -0.246 0.000 2.077 420 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 420 E C 1.491 178.127 176.600 0.060 0.000 0.989 420 E CA 1.605 57.965 56.400 -0.067 0.000 0.800 420 E CB 0.141 29.807 29.700 -0.056 0.000 0.746 420 E HN 0.228 nan 8.360 nan 0.000 0.452 421 T N 0.010 114.560 114.554 -0.007 0.000 2.720 421 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 421 T C 1.877 176.599 174.700 0.036 0.000 1.037 421 T CA 1.773 63.886 62.100 0.021 0.000 1.144 421 T CB -0.427 68.436 68.868 -0.010 0.000 0.864 421 T HN 0.212 nan 8.240 nan 0.000 0.444 422 T N 2.232 116.788 114.554 0.003 0.000 2.821 422 T HA -0.003 4.347 4.350 -0.000 0.000 0.267 422 T C 1.889 176.600 174.700 0.019 0.000 1.046 422 T CA 0.735 62.849 62.100 0.024 0.000 1.139 422 T CB -0.416 68.480 68.868 0.047 0.000 0.871 422 T HN 0.139 nan 8.240 nan 0.000 0.454 423 L N 0.422 121.629 121.223 -0.027 0.000 2.046 423 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 423 L C 1.411 178.145 176.870 -0.226 0.000 1.077 423 L CA 1.782 56.548 54.840 -0.124 0.000 0.747 423 L CB -0.688 41.207 42.059 -0.273 0.000 0.896 423 L HN 0.315 nan 8.230 nan 0.000 0.432 424 Y N -1.120 119.162 120.300 -0.030 0.000 2.493 424 Y HA 0.201 4.751 4.550 -0.000 0.000 0.275 424 Y C 2.288 178.173 175.900 -0.025 0.000 1.183 424 Y CA -0.127 57.957 58.100 -0.026 0.000 1.258 424 Y CB -0.295 38.143 38.460 -0.037 0.000 1.108 424 Y HN 0.097 nan 8.280 nan 0.000 0.521 425 R N 0.950 121.498 120.500 0.079 0.000 2.094 425 R HA -0.195 4.145 4.340 -0.000 0.000 0.239 425 R C 0.796 177.113 176.300 0.027 0.000 1.137 425 R CA 1.969 58.096 56.100 0.045 0.000 0.943 425 R CB -0.075 30.242 30.300 0.027 0.000 0.850 425 R HN 0.475 nan 8.270 nan 0.000 0.433 426 E N 0.104 120.312 120.200 0.013 0.000 2.403 426 E HA 0.045 4.395 4.350 -0.000 0.000 0.188 426 E C 0.559 177.155 176.600 -0.006 0.000 1.056 426 E CA -0.019 56.379 56.400 -0.004 0.000 0.892 426 E CB 0.418 30.114 29.700 -0.005 0.000 1.049 426 E HN 0.337 nan 8.360 nan 0.000 0.465 427 L N -0.525 120.716 121.223 0.031 0.000 3.069 427 L HA 0.330 4.670 4.340 -0.000 0.000 0.271 427 L C 0.946 177.860 176.870 0.073 0.000 1.201 427 L CA -0.074 54.800 54.840 0.057 0.000 1.015 427 L CB 0.672 42.790 42.059 0.099 0.000 1.371 427 L HN 0.248 nan 8.230 nan 0.000 0.574 428 G N 0.394 109.210 108.800 0.027 0.000 2.130 428 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 428 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 428 G C 0.215 175.122 174.900 0.011 0.000 0.999 428 G CA -0.078 45.022 45.100 -0.001 0.000 0.686 428 G HN 0.131 nan 8.290 nan 0.000 0.515 429 M N -1.972 117.656 119.600 0.047 0.000 7.092 429 M HA -0.082 4.398 4.480 -0.000 0.000 0.157 429 M C -2.365 173.867 176.300 -0.112 0.000 0.645 429 M CA 0.446 55.749 55.300 0.004 0.000 1.294 429 M CB -2.086 30.493 32.600 -0.035 0.000 0.567 429 M HN 0.291 nan 8.290 nan 0.000 0.190 430 P HA 0.300 nan 4.420 nan 0.000 0.269 430 P C -2.398 174.631 177.300 -0.451 0.000 1.215 430 P CA -0.564 62.127 63.100 -0.682 0.000 0.780 430 P CB -0.435 30.998 31.700 -0.444 0.000 0.898 431 P HA 0.028 nan 4.420 nan 0.000 0.268 431 P C 0.071 177.272 177.300 -0.165 0.000 1.208 431 P CA -0.319 62.635 63.100 -0.242 0.000 0.777 431 P CB 0.337 31.922 31.700 -0.190 0.000 0.875 432 L N 2.206 123.372 121.223 -0.096 0.000 2.601 432 L HA 0.010 4.350 4.340 -0.000 0.000 0.277 432 L C 0.946 177.781 176.870 -0.059 0.000 1.219 432 L CA 0.517 55.316 54.840 -0.068 0.000 0.915 432 L CB -0.467 41.568 42.059 -0.040 0.000 1.160 432 L HN 0.373 nan 8.230 nan 0.000 0.494 433 R N 3.320 123.784 120.500 -0.059 0.000 2.490 433 R HA 0.209 4.549 4.340 -0.000 0.000 0.278 433 R C -0.589 175.696 176.300 -0.025 0.000 1.069 433 R CA -0.529 55.543 56.100 -0.047 0.000 1.080 433 R CB 0.683 30.953 30.300 -0.052 0.000 1.030 433 R HN 0.755 nan 8.270 nan 0.000 0.491 434 D N 0.140 120.532 120.400 -0.012 0.000 2.506 434 D HA 0.024 4.664 4.640 -0.000 0.000 0.254 434 D C 0.498 176.803 176.300 0.007 0.000 1.089 434 D CA -0.300 53.701 54.000 0.002 0.000 1.050 434 D CB 1.436 42.245 40.800 0.015 0.000 1.221 434 D HN 0.674 nan 8.370 nan 0.000 0.589 435 E N -0.442 119.767 120.200 0.015 0.000 2.385 435 E HA -0.012 4.338 4.350 -0.000 0.000 0.194 435 E C 0.135 176.758 176.600 0.038 0.000 1.013 435 E CA 0.447 56.861 56.400 0.022 0.000 0.866 435 E CB 0.073 29.785 29.700 0.020 0.000 0.832 435 E HN 0.196 nan 8.360 nan 0.000 0.500 436 N N 1.162 119.887 118.700 0.042 0.000 2.236 436 N HA 0.146 4.886 4.740 -0.000 0.000 0.196 436 N C -0.164 175.378 175.510 0.055 0.000 1.114 436 N CA 0.375 53.462 53.050 0.061 0.000 0.859 436 N CB 1.019 39.542 38.487 0.061 0.000 0.982 436 N HN 0.152 nan 8.380 nan 0.000 0.493 437 A N 0.562 123.402 122.820 0.033 0.000 2.450 437 A HA 0.343 4.663 4.320 -0.000 0.000 0.255 437 A C 1.179 178.772 177.584 0.016 0.000 1.096 437 A CA -0.166 51.879 52.037 0.012 0.000 0.778 437 A CB 0.616 19.612 19.000 -0.007 0.000 1.031 437 A HN -0.012 nan 8.150 nan 0.000 0.494 438 V N 1.430 121.340 119.914 -0.006 0.000 2.840 438 V HA 0.109 4.229 4.120 -0.000 0.000 0.234 438 V C 0.457 176.524 176.094 -0.044 0.000 1.159 438 V CA 0.875 63.176 62.300 0.000 0.000 1.194 438 V CB -0.688 31.122 31.823 -0.021 0.000 0.971 438 V HN 0.953 nan 8.190 nan 0.000 0.494 439 D N -1.141 119.205 120.400 -0.091 0.000 2.981 439 D HA -0.257 4.383 4.640 -0.000 0.000 0.223 439 D C 0.590 176.774 176.300 -0.192 0.000 1.151 439 D CA 1.028 54.956 54.000 -0.119 0.000 0.827 439 D CB -1.462 39.279 40.800 -0.099 0.000 1.101 439 D HN 0.621 nan 8.370 nan 0.000 0.426 440 Y N -0.167 119.866 120.300 -0.446 0.000 2.352 440 Y HA -0.058 4.492 4.550 -0.000 0.000 0.292 440 Y C 0.274 175.700 175.900 -0.789 0.000 1.136 440 Y CA 1.378 59.056 58.100 -0.705 0.000 1.227 440 Y CB 0.250 38.075 38.460 -1.059 0.000 0.991 440 Y HN 0.087 nan 8.280 nan 0.000 0.545 441 Y N -0.810 119.391 120.300 -0.164 0.000 2.462 441 Y HA 0.451 5.001 4.550 -0.000 0.000 0.346 441 Y C 0.047 175.852 175.900 -0.159 0.000 0.976 441 Y CA -1.047 56.961 58.100 -0.154 0.000 1.044 441 Y CB 1.926 40.282 38.460 -0.175 0.000 1.230 441 Y HN -0.320 nan 8.280 nan 0.000 0.455 442 T N 3.378 117.950 114.554 0.030 0.000 2.863 442 T HA 0.519 4.869 4.350 -0.000 0.000 0.285 442 T C -1.696 173.026 174.700 0.036 0.000 1.009 442 T CA -0.638 61.476 62.100 0.022 0.000 0.989 442 T CB 0.735 69.651 68.868 0.079 0.000 1.004 442 T HN 0.488 nan 8.240 nan 0.000 0.455 443 L N 6.323 127.560 121.223 0.024 0.000 2.257 443 L HA 0.610 4.950 4.340 -0.000 0.000 0.290 443 L C -0.838 176.122 176.870 0.149 0.000 1.044 443 L CA -0.206 54.652 54.840 0.031 0.000 0.810 443 L CB 0.279 42.309 42.059 -0.049 0.000 1.193 443 L HN 0.619 nan 8.230 nan 0.000 0.425 444 I N 4.599 125.248 120.570 0.132 0.000 2.291 444 I HA 0.229 4.399 4.170 -0.000 0.000 0.290 444 I C -0.530 175.676 176.117 0.148 0.000 1.050 444 I CA -0.388 61.004 61.300 0.153 0.000 1.245 444 I CB 0.909 38.935 38.000 0.043 0.000 1.405 444 I HN 0.584 nan 8.210 nan 0.000 0.478 445 D N 5.387 125.895 120.400 0.181 0.000 2.329 445 D HA 0.163 4.803 4.640 -0.000 0.000 0.232 445 D C 0.803 177.170 176.300 0.112 0.000 1.088 445 D CA -0.558 53.542 54.000 0.166 0.000 0.835 445 D CB 1.467 42.394 40.800 0.212 0.000 1.078 445 D HN 0.364 nan 8.370 nan 0.000 0.495 446 L N 3.860 125.128 121.223 0.075 0.000 2.081 446 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 446 L C 1.997 178.884 176.870 0.028 0.000 1.080 446 L CA 1.986 56.854 54.840 0.047 0.000 0.754 446 L CB -0.617 41.451 42.059 0.016 0.000 0.893 446 L HN 0.712 nan 8.230 nan 0.000 0.433 447 Q N -1.053 118.751 119.800 0.007 0.000 2.016 447 Q HA -0.209 4.131 4.340 -0.000 0.000 0.200 447 Q C 1.840 177.855 176.000 0.026 0.000 0.978 447 Q CA 1.887 57.682 55.803 -0.014 0.000 0.833 447 Q CB -0.070 28.643 28.738 -0.041 0.000 0.895 447 Q HN 0.560 nan 8.270 nan 0.000 0.427 448 D N -0.445 119.987 120.400 0.053 0.000 2.178 448 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 448 D C 1.896 178.236 176.300 0.068 0.000 0.980 448 D CA 0.991 55.029 54.000 0.063 0.000 0.842 448 D CB 0.186 41.036 40.800 0.084 0.000 0.948 448 D HN 0.160 nan 8.370 nan 0.000 0.472 449 V N 1.337 121.302 119.914 0.086 0.000 2.302 449 V HA -0.192 3.928 4.120 -0.000 0.000 0.243 449 V C 2.815 178.956 176.094 0.077 0.000 1.036 449 V CA 2.102 64.456 62.300 0.090 0.000 1.020 449 V CB -0.951 30.937 31.823 0.109 0.000 0.657 449 V HN 0.317 nan 8.190 nan 0.000 0.453 450 T N -0.698 113.926 114.554 0.117 0.000 2.849 450 T HA -0.145 4.205 4.350 -0.000 0.000 0.270 450 T C 1.855 176.687 174.700 0.221 0.000 1.066 450 T CA 1.509 63.748 62.100 0.232 0.000 1.130 450 T CB -0.440 68.567 68.868 0.231 0.000 0.864 450 T HN 0.449 nan 8.240 nan 0.000 0.481 451 A N 2.173 125.063 122.820 0.118 0.000 1.898 451 A HA 0.013 4.333 4.320 -0.000 0.000 0.216 451 A C 2.450 180.072 177.584 0.063 0.000 1.181 451 A CA 1.354 53.451 52.037 0.100 0.000 0.620 451 A CB -0.485 18.550 19.000 0.058 0.000 0.819 451 A HN 0.550 nan 8.150 nan 0.000 0.442 452 K N -0.462 119.954 120.400 0.025 0.000 2.148 452 K HA 0.050 4.370 4.320 -0.000 0.000 0.204 452 K C 1.786 178.335 176.600 -0.084 0.000 1.050 452 K CA 1.014 57.292 56.287 -0.015 0.000 0.942 452 K CB -0.260 32.232 32.500 -0.013 0.000 0.724 452 K HN 0.459 nan 8.250 nan 0.000 0.446 453 L N -0.964 120.168 121.223 -0.152 0.000 2.068 453 L HA -0.086 4.254 4.340 -0.000 0.000 0.204 453 L C 0.837 177.350 176.870 -0.594 0.000 1.076 453 L CA 1.166 55.725 54.840 -0.468 0.000 0.753 453 L CB 0.049 41.705 42.059 -0.672 0.000 0.910 453 L HN 0.168 nan 8.230 nan 0.000 0.439 454 Y N -0.360 119.932 120.300 -0.014 0.000 2.629 454 Y HA 0.472 5.022 4.550 -0.000 0.000 0.282 454 Y C 0.757 176.720 175.900 0.104 0.000 0.994 454 Y CA -0.471 57.585 58.100 -0.073 0.000 1.126 454 Y CB 0.585 38.829 38.460 -0.360 0.000 1.187 454 Y HN 0.155 nan 8.280 nan 0.000 0.600 455 G N 1.474 110.393 108.800 0.198 0.000 2.757 455 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.686 455 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.686 455 G C 0.735 175.738 174.900 0.172 0.000 1.452 455 G CA -0.064 45.138 45.100 0.169 0.000 0.922 455 G HN 0.406 nan 8.290 nan 0.000 0.588 456 E N 0.706 120.973 120.200 0.111 0.000 2.204 456 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 456 E C 2.521 179.169 176.600 0.079 0.000 0.990 456 E CA 2.094 58.541 56.400 0.079 0.000 0.821 456 E CB -0.966 28.768 29.700 0.056 0.000 0.750 456 E HN 1.463 nan 8.360 nan 0.000 0.477 457 A N 1.854 124.741 122.820 0.111 0.000 1.834 457 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 457 A C 2.153 179.768 177.584 0.051 0.000 1.203 457 A CA 1.784 53.891 52.037 0.117 0.000 0.621 457 A CB -1.315 17.796 19.000 0.184 0.000 0.841 457 A HN 0.293 nan 8.150 nan 0.000 0.446 458 F N 1.345 121.178 119.950 -0.194 0.000 2.115 458 F HA -0.229 4.298 4.527 -0.000 0.000 0.300 458 F C 2.706 178.459 175.800 -0.079 0.000 1.092 458 F CA 1.835 59.544 58.000 -0.484 0.000 1.245 458 F CB -0.756 38.040 39.000 -0.341 0.000 0.995 458 F HN 0.268 nan 8.300 nan 0.000 0.481 459 S N -0.044 115.583 115.700 -0.121 0.000 2.368 459 S HA -0.344 4.126 4.470 -0.000 0.000 0.226 459 S C 2.023 176.510 174.600 -0.189 0.000 1.044 459 S CA 2.109 60.211 58.200 -0.164 0.000 1.062 459 S CB -0.663 62.532 63.200 -0.009 0.000 0.931 459 S HN 0.643 nan 8.310 nan 0.000 0.440 460 E N -0.659 119.490 120.200 -0.085 0.000 2.160 460 E HA -0.161 4.189 4.350 -0.000 0.000 0.195 460 E C 1.560 178.137 176.600 -0.038 0.000 0.991 460 E CA 1.517 57.889 56.400 -0.047 0.000 0.810 460 E CB -0.285 29.423 29.700 0.014 0.000 0.742 460 E HN 0.826 nan 8.360 nan 0.000 0.466 461 W N 0.893 122.053 121.300 -0.233 0.000 2.407 461 W HA -0.065 4.595 4.660 -0.000 0.000 0.305 461 W C 2.298 178.674 176.519 -0.240 0.000 1.196 461 W CA 1.747 58.986 57.345 -0.177 0.000 1.311 461 W CB -0.463 28.934 29.460 -0.105 0.000 1.135 461 W HN 0.030 nan 8.180 nan 0.000 0.514 462 A N 0.064 122.664 122.820 -0.367 0.000 1.883 462 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 462 A C 2.037 179.391 177.584 -0.383 0.000 1.186 462 A CA 2.513 54.253 52.037 -0.495 0.000 0.624 462 A CB -1.317 17.324 19.000 -0.599 0.000 0.822 462 A HN 0.197 nan 8.150 nan 0.000 0.444 463 V N 0.484 120.228 119.914 -0.283 0.000 2.332 463 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 463 V C 2.447 178.406 176.094 -0.225 0.000 1.055 463 V CA 2.233 64.409 62.300 -0.205 0.000 1.038 463 V CB -0.561 31.167 31.823 -0.158 0.000 0.651 463 V HN 0.465 nan 8.190 nan 0.000 0.450 464 K N -0.379 119.859 120.400 -0.270 0.000 2.283 464 K HA -0.096 4.224 4.320 -0.000 0.000 0.202 464 K C 2.095 178.492 176.600 -0.338 0.000 1.048 464 K CA 0.844 56.975 56.287 -0.261 0.000 0.948 464 K CB -0.158 32.200 32.500 -0.237 0.000 0.742 464 K HN 0.507 nan 8.250 nan 0.000 0.458 465 Q N -0.159 119.343 119.800 -0.497 0.000 2.250 465 Q HA 0.065 4.405 4.340 -0.000 0.000 0.200 465 Q C 1.032 176.862 176.000 -0.284 0.000 0.941 465 Q CA 0.371 55.865 55.803 -0.515 0.000 0.872 465 Q CB 0.359 28.560 28.738 -0.894 0.000 0.965 465 Q HN 0.018 nan 8.270 nan 0.000 0.480 466 S N -0.290 115.276 115.700 -0.223 0.000 2.739 466 S HA 0.521 4.991 4.470 -0.000 0.000 0.306 466 S C -0.741 173.806 174.600 -0.089 0.000 1.115 466 S CA -0.489 57.639 58.200 -0.120 0.000 0.985 466 S CB 1.640 64.793 63.200 -0.078 0.000 1.133 466 S HN 0.162 nan 8.310 nan 0.000 0.541 467 S N 0.041 115.713 115.700 -0.046 0.000 2.569 467 S HA 0.397 4.867 4.470 -0.000 0.000 0.280 467 S C 0.974 175.576 174.600 0.002 0.000 1.111 467 S CA -0.397 57.786 58.200 -0.029 0.000 0.887 467 S CB 1.181 64.364 63.200 -0.027 0.000 1.095 467 S HN 0.683 nan 8.310 nan 0.000 0.476 468 T N 3.271 117.832 114.554 0.012 0.000 2.685 468 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 468 T C 1.868 176.597 174.700 0.048 0.000 1.034 468 T CA 2.185 64.308 62.100 0.037 0.000 1.149 468 T CB -0.954 67.944 68.868 0.049 0.000 0.860 468 T HN 0.868 nan 8.240 nan 0.000 0.449 469 G N 1.063 109.889 108.800 0.042 0.000 2.402 469 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 469 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 469 G C 1.369 176.328 174.900 0.098 0.000 1.162 469 G CA 0.840 45.977 45.100 0.061 0.000 0.777 469 G HN 0.368 nan 8.290 nan 0.000 0.539 470 D N 0.130 120.571 120.400 0.068 0.000 2.087 470 D HA -0.156 4.484 4.640 -0.000 0.000 0.192 470 D C 2.365 178.740 176.300 0.125 0.000 0.993 470 D CA 1.279 55.334 54.000 0.092 0.000 0.828 470 D CB -0.414 40.410 40.800 0.039 0.000 0.968 470 D HN 0.310 nan 8.370 nan 0.000 0.448 471 M N 0.298 119.944 119.600 0.077 0.000 2.082 471 M HA -0.210 4.270 4.480 -0.000 0.000 0.258 471 M C 2.149 178.485 176.300 0.060 0.000 1.071 471 M CA 1.550 56.888 55.300 0.063 0.000 1.103 471 M CB -0.183 32.444 32.600 0.046 0.000 1.307 471 M HN -0.010 nan 8.290 nan 0.000 0.409 472 L N -0.689 120.574 121.223 0.067 0.000 2.079 472 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 472 L C 2.534 179.431 176.870 0.046 0.000 1.081 472 L CA 1.455 56.324 54.840 0.048 0.000 0.752 472 L CB -0.977 41.116 42.059 0.058 0.000 0.896 472 L HN 0.398 nan 8.230 nan 0.000 0.433 473 F N 0.764 120.714 119.950 -0.001 0.000 2.113 473 F HA -0.152 4.375 4.527 -0.000 0.000 0.297 473 F C 2.801 178.600 175.800 -0.001 0.000 1.103 473 F CA 1.281 59.280 58.000 -0.002 0.000 1.248 473 F CB -0.213 38.786 39.000 -0.001 0.000 0.999 473 F HN -0.142 nan 8.300 nan 0.000 0.475 474 R N 0.953 121.448 120.500 -0.009 0.000 2.112 474 R HA -0.214 4.126 4.340 -0.000 0.000 0.242 474 R C 2.357 178.549 176.300 -0.180 0.000 1.137 474 R CA 2.188 58.241 56.100 -0.078 0.000 0.944 474 R CB -1.346 28.983 30.300 0.048 0.000 0.857 474 R HN 0.422 nan 8.270 nan 0.000 0.435 475 I N 0.310 120.808 120.570 -0.121 0.000 2.127 475 I HA -0.286 3.884 4.170 -0.000 0.000 0.241 475 I C 2.515 178.527 176.117 -0.176 0.000 1.075 475 I CA 1.543 62.772 61.300 -0.118 0.000 1.334 475 I CB -0.565 37.389 38.000 -0.076 0.000 1.040 475 I HN 0.136 nan 8.210 nan 0.000 0.405 476 A N 0.291 122.980 122.820 -0.217 0.000 1.940 476 A HA -0.311 4.009 4.320 -0.000 0.000 0.219 476 A C 1.963 179.363 177.584 -0.306 0.000 1.176 476 A CA 2.440 54.339 52.037 -0.232 0.000 0.631 476 A CB -0.715 18.160 19.000 -0.207 0.000 0.814 476 A HN 0.506 nan 8.150 nan 0.000 0.446 477 D N -0.689 119.413 120.400 -0.497 0.000 2.123 477 D HA -0.101 4.539 4.640 -0.000 0.000 0.200 477 D C 1.887 178.053 176.300 -0.224 0.000 0.976 477 D CA 1.450 55.185 54.000 -0.441 0.000 0.831 477 D CB -0.145 40.258 40.800 -0.661 0.000 0.974 477 D HN 0.586 nan 8.370 nan 0.000 0.469 478 E N -1.250 118.838 120.200 -0.187 0.000 2.371 478 E HA -0.014 4.336 4.350 -0.000 0.000 0.194 478 E C 1.350 177.896 176.600 -0.091 0.000 1.012 478 E CA 1.246 57.583 56.400 -0.106 0.000 0.860 478 E CB 0.298 29.953 29.700 -0.076 0.000 0.811 478 E HN 0.439 nan 8.360 nan 0.000 0.502 479 T N -4.887 109.600 114.554 -0.113 0.000 2.958 479 T HA 0.293 4.643 4.350 -0.000 0.000 0.256 479 T C 1.525 176.158 174.700 -0.111 0.000 0.983 479 T CA 0.418 62.454 62.100 -0.106 0.000 0.924 479 T CB 0.977 69.771 68.868 -0.125 0.000 1.136 479 T HN 0.169 nan 8.240 nan 0.000 0.506 480 G N 1.768 110.498 108.800 -0.116 0.000 2.179 480 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.260 480 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.260 480 G C -0.004 174.832 174.900 -0.107 0.000 0.977 480 G CA 0.227 45.266 45.100 -0.102 0.000 0.641 480 G HN 0.677 nan 8.290 nan 0.000 0.533 481 I N 1.149 121.645 120.570 -0.123 0.000 2.336 481 I HA 0.429 4.599 4.170 -0.000 0.000 0.292 481 I C 0.259 176.318 176.117 -0.097 0.000 0.991 481 I CA -0.968 60.260 61.300 -0.120 0.000 1.227 481 I CB 1.854 39.762 38.000 -0.153 0.000 1.366 481 I HN -0.144 nan 8.210 nan 0.000 0.466 482 V N 7.612 127.483 119.914 -0.071 0.000 2.333 482 V HA 0.326 4.446 4.120 -0.000 0.000 0.274 482 V C 0.397 176.472 176.094 -0.031 0.000 1.028 482 V CA -0.438 61.833 62.300 -0.048 0.000 0.851 482 V CB 1.174 32.978 31.823 -0.031 0.000 1.000 482 V HN 0.504 nan 8.190 nan 0.000 0.456 483 L N 5.041 126.250 121.223 -0.024 0.000 2.456 483 L HA 0.481 4.821 4.340 -0.000 0.000 0.257 483 L C -0.091 176.781 176.870 0.003 0.000 1.162 483 L CA -0.583 54.253 54.840 -0.007 0.000 0.808 483 L CB 0.846 42.903 42.059 -0.004 0.000 1.136 483 L HN 0.388 nan 8.230 nan 0.000 0.466 484 L N 2.215 123.441 121.223 0.005 0.000 2.290 484 L HA 0.318 4.658 4.340 -0.000 0.000 0.284 484 L C -2.163 174.706 176.870 -0.002 0.000 1.078 484 L CA -1.912 52.923 54.840 -0.007 0.000 0.815 484 L CB 0.922 42.961 42.059 -0.033 0.000 1.162 484 L HN 0.242 nan 8.230 nan 0.000 0.435 485 P HA -0.028 nan 4.420 nan 0.000 0.264 485 P C 0.129 177.449 177.300 0.034 0.000 1.193 485 P CA -0.048 63.072 63.100 0.034 0.000 0.763 485 P CB 0.535 32.257 31.700 0.037 0.000 0.810 486 G N 4.156 113.004 108.800 0.080 0.000 2.428 486 G HA2 0.198 4.158 3.960 -0.000 0.000 0.293 486 G HA3 0.198 4.158 3.960 -0.000 0.000 0.293 486 G C -0.124 174.864 174.900 0.147 0.000 1.059 486 G CA -0.473 44.684 45.100 0.096 0.000 1.194 486 G HN 0.439 nan 8.290 nan 0.000 0.435 487 R N 1.787 122.303 120.500 0.026 0.000 2.540 487 R HA 0.788 5.128 4.340 -0.000 0.000 0.287 487 R C 0.861 177.199 176.300 0.063 0.000 0.980 487 R CA -0.357 55.792 56.100 0.083 0.000 0.966 487 R CB 1.714 32.042 30.300 0.048 0.000 1.106 487 R HN 0.587 nan 8.270 nan 0.000 0.480 488 G N 0.919 109.838 108.800 0.199 0.000 2.318 488 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.172 488 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.172 488 G C 0.007 175.059 174.900 0.255 0.000 1.002 488 G CA -0.099 45.164 45.100 0.272 0.000 0.697 488 G HN 0.714 nan 8.290 nan 0.000 0.483 489 F N -0.637 119.407 119.950 0.158 0.000 2.599 489 F HA 0.512 5.039 4.527 -0.000 0.000 0.367 489 F C 0.746 176.565 175.800 0.032 0.000 1.517 489 F CA -0.811 57.212 58.000 0.039 0.000 1.090 489 F CB 0.558 39.542 39.000 -0.027 0.000 1.758 489 F HN 1.141 nan 8.300 nan 0.000 0.550 490 G N 1.700 110.635 108.800 0.225 0.000 3.265 490 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.488 490 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.488 490 G C 0.668 175.586 174.900 0.029 0.000 0.742 490 G CA 0.308 45.461 45.100 0.087 0.000 0.841 490 G HN 1.143 nan 8.290 nan 0.000 0.457 491 S N 1.697 117.422 115.700 0.042 0.000 2.478 491 S HA -0.266 4.204 4.470 -0.000 0.000 0.256 491 S C 2.172 176.740 174.600 -0.053 0.000 1.003 491 S CA 1.827 60.036 58.200 0.015 0.000 0.976 491 S CB -0.418 62.792 63.200 0.016 0.000 0.751 491 S HN 1.156 nan 8.310 nan 0.000 0.513 492 N N 1.162 119.804 118.700 -0.096 0.000 2.666 492 N HA -0.100 4.640 4.740 -0.000 0.000 0.194 492 N C -0.143 175.248 175.510 -0.198 0.000 1.220 492 N CA 0.428 53.399 53.050 -0.133 0.000 0.928 492 N CB -0.340 38.071 38.487 -0.126 0.000 0.997 492 N HN 0.561 nan 8.380 nan 0.000 0.447 493 R N 0.574 120.926 120.500 -0.246 0.000 2.500 493 R HA 0.356 4.696 4.340 -0.000 0.000 0.299 493 R C -2.983 173.248 176.300 -0.116 0.000 1.038 493 R CA -1.530 54.402 56.100 -0.279 0.000 0.903 493 R CB 1.843 31.758 30.300 -0.643 0.000 1.177 493 R HN -0.015 nan 8.270 nan 0.000 0.455 494 P HA 0.073 nan 4.420 nan 0.000 0.276 494 P C -0.842 176.489 177.300 0.052 0.000 1.253 494 P CA 0.179 63.279 63.100 0.001 0.000 0.766 494 P CB 1.060 32.747 31.700 -0.021 0.000 0.845 495 S N 1.793 117.555 115.700 0.104 0.000 2.567 495 S HA 0.842 5.312 4.470 -0.000 0.000 0.270 495 S C -0.779 173.889 174.600 0.114 0.000 1.152 495 S CA -0.898 57.388 58.200 0.143 0.000 0.835 495 S CB 1.673 65.038 63.200 0.275 0.000 1.115 495 S HN 0.455 nan 8.310 nan 0.000 0.459 496 G N 0.226 109.077 108.800 0.085 0.000 2.619 496 G HA2 0.719 4.679 3.960 -0.000 0.000 0.296 496 G HA3 0.719 4.679 3.960 -0.000 0.000 0.296 496 G C -1.640 173.279 174.900 0.032 0.000 1.334 496 G CA -0.993 44.136 45.100 0.048 0.000 0.934 496 G HN 0.736 nan 8.290 nan 0.000 0.476 497 R N -0.334 120.172 120.500 0.009 0.000 2.494 497 R HA 0.712 5.052 4.340 -0.000 0.000 0.305 497 R C -0.332 175.993 176.300 0.041 0.000 0.959 497 R CA -0.335 55.768 56.100 0.004 0.000 0.864 497 R CB 2.026 32.291 30.300 -0.058 0.000 1.159 497 R HN 0.745 nan 8.270 nan 0.000 0.446 498 A N 1.456 124.316 122.820 0.067 0.000 2.380 498 A HA 0.561 4.881 4.320 -0.000 0.000 0.315 498 A C -0.854 176.799 177.584 0.115 0.000 1.101 498 A CA -0.587 51.503 52.037 0.089 0.000 0.771 498 A CB 1.955 21.005 19.000 0.083 0.000 1.287 498 A HN 0.560 nan 8.150 nan 0.000 0.436 499 S N 0.502 116.260 115.700 0.096 0.000 2.525 499 S HA 0.466 4.936 4.470 -0.000 0.000 0.278 499 S C 0.345 174.887 174.600 -0.096 0.000 1.234 499 S CA -0.592 57.544 58.200 -0.108 0.000 1.058 499 S CB 0.158 63.245 63.200 -0.188 0.000 0.983 499 S HN 0.563 nan 8.310 nan 0.000 0.495 500 L N 3.732 124.763 121.223 -0.320 0.000 2.653 500 L HA 0.283 4.623 4.340 -0.000 0.000 0.232 500 L C 1.555 178.256 176.870 -0.282 0.000 1.169 500 L CA 0.135 54.773 54.840 -0.337 0.000 0.951 500 L CB -0.358 41.459 42.059 -0.402 0.000 1.181 500 L HN 0.826 nan 8.230 nan 0.000 0.460 501 A N 0.027 122.633 122.820 -0.357 0.000 2.419 501 A HA 0.070 4.390 4.320 -0.000 0.000 0.233 501 A C 1.379 178.930 177.584 -0.056 0.000 1.217 501 A CA 0.014 51.904 52.037 -0.244 0.000 0.944 501 A CB 0.103 18.627 19.000 -0.793 0.000 1.025 501 A HN 0.465 nan 8.150 nan 0.000 0.524 502 N N -0.170 118.503 118.700 -0.045 0.000 2.177 502 N HA 0.275 5.015 4.740 -0.000 0.000 0.218 502 N C -0.206 175.265 175.510 -0.064 0.000 1.182 502 N CA 0.054 53.077 53.050 -0.045 0.000 0.882 502 N CB 0.113 38.566 38.487 -0.057 0.000 1.052 502 N HN 0.356 nan 8.380 nan 0.000 0.519 503 L N -0.191 120.991 121.223 -0.068 0.000 2.327 503 L HA 0.454 4.794 4.340 -0.000 0.000 0.258 503 L C -0.342 176.448 176.870 -0.133 0.000 1.024 503 L CA -0.975 53.688 54.840 -0.296 0.000 0.825 503 L CB 1.976 43.542 42.059 -0.822 0.000 1.386 503 L HN -0.092 nan 8.230 nan 0.000 0.417 504 N N -0.327 118.259 118.700 -0.191 0.000 2.482 504 N HA 0.155 4.895 4.740 -0.000 0.000 0.279 504 N C 0.357 175.869 175.510 0.005 0.000 1.182 504 N CA -0.693 52.366 53.050 0.015 0.000 0.969 504 N CB 1.452 40.013 38.487 0.124 0.000 1.201 504 N HN 0.592 nan 8.380 nan 0.000 0.523 505 E N 0.322 120.642 120.200 0.199 0.000 2.086 505 E HA -0.337 4.013 4.350 -0.000 0.000 0.205 505 E C 1.638 178.323 176.600 0.143 0.000 1.027 505 E CA 1.993 58.532 56.400 0.232 0.000 0.830 505 E CB -0.392 29.417 29.700 0.182 0.000 0.751 505 E HN 0.718 nan 8.360 nan 0.000 0.456 506 Y N 1.133 121.449 120.300 0.026 0.000 2.315 506 Y HA -0.110 4.439 4.550 -0.000 0.000 0.288 506 Y C 1.689 177.562 175.900 -0.044 0.000 1.154 506 Y CA 1.216 59.313 58.100 -0.004 0.000 1.229 506 Y CB -0.681 37.770 38.460 -0.014 0.000 0.980 506 Y HN 0.004 nan 8.280 nan 0.000 0.540 507 E N -0.289 119.390 120.200 -0.868 0.000 2.072 507 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 507 E C 1.799 178.131 176.600 -0.448 0.000 0.985 507 E CA 1.473 57.416 56.400 -0.761 0.000 0.801 507 E CB -0.421 28.747 29.700 -0.887 0.000 0.750 507 E HN 0.562 nan 8.360 nan 0.000 0.452 508 Y N 0.616 120.787 120.300 -0.215 0.000 2.274 508 Y HA -0.165 4.385 4.550 -0.000 0.000 0.290 508 Y C 2.332 178.153 175.900 -0.130 0.000 1.145 508 Y CA 0.993 58.998 58.100 -0.159 0.000 1.203 508 Y CB -0.553 37.830 38.460 -0.127 0.000 0.984 508 Y HN 0.058 nan 8.280 nan 0.000 0.533 509 A N -0.168 122.681 122.820 0.048 0.000 1.930 509 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 509 A C 2.437 180.016 177.584 -0.009 0.000 1.175 509 A CA 1.570 53.624 52.037 0.029 0.000 0.627 509 A CB -1.058 17.979 19.000 0.061 0.000 0.815 509 A HN 0.376 nan 8.150 nan 0.000 0.443 510 A N -0.133 122.659 122.820 -0.046 0.000 1.929 510 A HA 0.004 4.324 4.320 -0.000 0.000 0.216 510 A C 2.081 179.625 177.584 -0.067 0.000 1.176 510 A CA 1.314 53.320 52.037 -0.051 0.000 0.628 510 A CB -0.523 18.432 19.000 -0.075 0.000 0.816 510 A HN 0.471 nan 8.150 nan 0.000 0.444 511 I N -0.277 120.237 120.570 -0.093 0.000 2.226 511 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 511 I C 2.691 178.762 176.117 -0.076 0.000 1.100 511 I CA 1.172 62.418 61.300 -0.089 0.000 1.374 511 I CB -0.522 37.422 38.000 -0.093 0.000 1.057 511 I HN 0.402 nan 8.210 nan 0.000 0.413 512 G N 0.560 109.315 108.800 -0.075 0.000 2.421 512 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.216 512 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.216 512 G C 1.739 176.615 174.900 -0.039 0.000 1.171 512 G CA 0.808 45.859 45.100 -0.081 0.000 0.775 512 G HN 0.302 nan 8.290 nan 0.000 0.543 513 R N 0.646 121.133 120.500 -0.023 0.000 2.096 513 R HA 0.048 4.388 4.340 -0.000 0.000 0.235 513 R C 2.717 179.018 176.300 0.000 0.000 1.127 513 R CA 1.609 57.706 56.100 -0.004 0.000 0.968 513 R CB -0.392 29.910 30.300 0.002 0.000 0.861 513 R HN 0.276 nan 8.270 nan 0.000 0.440 514 A N 0.940 123.752 122.820 -0.013 0.000 1.898 514 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 514 A C 2.011 179.600 177.584 0.009 0.000 1.181 514 A CA 1.048 53.080 52.037 -0.008 0.000 0.620 514 A CB -0.506 18.474 19.000 -0.033 0.000 0.819 514 A HN 0.380 nan 8.150 nan 0.000 0.442 515 L N -0.381 120.841 121.223 -0.001 0.000 2.093 515 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 515 L C 2.347 179.246 176.870 0.049 0.000 1.085 515 L CA 2.121 56.973 54.840 0.019 0.000 0.755 515 L CB -0.595 41.460 42.059 -0.006 0.000 0.904 515 L HN 0.399 nan 8.230 nan 0.000 0.435 516 R N 0.024 120.545 120.500 0.035 0.000 2.081 516 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 516 R C 2.283 178.636 176.300 0.088 0.000 1.131 516 R CA 1.729 57.860 56.100 0.052 0.000 0.960 516 R CB -0.388 29.927 30.300 0.024 0.000 0.856 516 R HN 0.313 nan 8.270 nan 0.000 0.436 517 K N -0.202 120.241 120.400 0.073 0.000 2.009 517 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 517 K C 2.121 178.793 176.600 0.119 0.000 1.049 517 K CA 2.078 58.417 56.287 0.087 0.000 0.929 517 K CB -0.259 32.278 32.500 0.062 0.000 0.714 517 K HN 0.260 nan 8.250 nan 0.000 0.440 518 M N 0.219 119.886 119.600 0.111 0.000 2.144 518 M HA -0.220 4.260 4.480 -0.000 0.000 0.260 518 M C 1.972 178.395 176.300 0.204 0.000 1.067 518 M CA 1.952 57.333 55.300 0.136 0.000 1.095 518 M CB -0.100 32.563 32.600 0.106 0.000 1.365 518 M HN 0.205 nan 8.290 nan 0.000 0.406 519 A N 0.237 123.192 122.820 0.224 0.000 1.898 519 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 519 A C 1.684 179.528 177.584 0.433 0.000 1.181 519 A CA 2.002 54.252 52.037 0.355 0.000 0.620 519 A CB -0.875 18.307 19.000 0.304 0.000 0.819 519 A HN 0.569 nan 8.150 nan 0.000 0.442 520 D N -0.324 120.268 120.400 0.320 0.000 2.117 520 D HA -0.136 4.504 4.640 -0.000 0.000 0.197 520 D C 1.900 178.347 176.300 0.246 0.000 0.987 520 D CA 1.500 55.675 54.000 0.293 0.000 0.829 520 D CB -0.362 40.561 40.800 0.206 0.000 0.961 520 D HN 0.638 nan 8.370 nan 0.000 0.460 521 E N 0.196 120.528 120.200 0.219 0.000 2.051 521 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 521 E C 2.330 179.092 176.600 0.270 0.000 0.991 521 E CA 0.475 56.993 56.400 0.195 0.000 0.799 521 E CB -0.084 29.714 29.700 0.164 0.000 0.748 521 E HN 0.215 nan 8.360 nan 0.000 0.449 522 L N -0.142 121.309 121.223 0.379 0.000 2.191 522 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 522 L C 2.295 179.610 176.870 0.742 0.000 1.103 522 L CA 0.917 56.115 54.840 0.596 0.000 0.769 522 L CB -0.281 42.144 42.059 0.609 0.000 0.908 522 L HN 0.270 nan 8.230 nan 0.000 0.438 523 Y N 0.187 120.615 120.300 0.213 0.000 2.420 523 Y HA -0.029 4.521 4.550 -0.000 0.000 0.292 523 Y C 2.405 178.168 175.900 -0.229 0.000 1.119 523 Y CA 0.654 58.480 58.100 -0.456 0.000 1.229 523 Y CB -0.043 37.733 38.460 -1.139 0.000 1.026 523 Y HN 0.068 nan 8.280 nan 0.000 0.554 524 A N 0.090 122.880 122.820 -0.050 0.000 1.902 524 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 524 A C 2.195 179.700 177.584 -0.132 0.000 1.181 524 A CA 1.855 53.831 52.037 -0.102 0.000 0.623 524 A CB -0.725 18.287 19.000 0.019 0.000 0.818 524 A HN 0.585 nan 8.150 nan 0.000 0.443 525 E N -1.545 118.661 120.200 0.009 0.000 2.028 525 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 525 E C 1.898 178.361 176.600 -0.228 0.000 0.988 525 E CA 1.337 57.748 56.400 0.020 0.000 0.799 525 E CB -0.350 29.526 29.700 0.294 0.000 0.755 525 E HN 0.687 nan 8.360 nan 0.000 0.447 526 Y N 0.982 120.957 120.300 -0.541 0.000 2.081 526 Y HA -0.272 4.278 4.550 -0.000 0.000 0.280 526 Y C 2.602 178.092 175.900 -0.685 0.000 1.163 526 Y CA 2.098 59.639 58.100 -0.931 0.000 1.135 526 Y CB -0.699 37.367 38.460 -0.656 0.000 0.970 526 Y HN -0.002 nan 8.280 nan 0.000 0.498 527 S N 0.310 115.554 115.700 -0.759 0.000 2.383 527 S HA -0.066 4.404 4.470 -0.000 0.000 0.229 527 S C 1.420 175.699 174.600 -0.535 0.000 1.030 527 S CA 0.620 58.346 58.200 -0.790 0.000 1.002 527 S CB -1.360 61.316 63.200 -0.873 0.000 0.829 527 S HN 0.729 nan 8.310 nan 0.000 0.467 528 G N 0.000 108.552 108.800 -0.413 0.000 5.446 528 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 528 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 528 G CA 0.000 44.931 45.100 -0.283 0.000 0.502 528 G HN 0.000 nan 8.290 nan 0.000 0.925