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 1psd_1_B DATA FIRST_RESID 7 DATA SEQUENCE EKDKIKFLLV EGVHQKALES LRAAGYTNIE FHKGALDDEQ LKESIRDAHF DATA SEQUENCE IGLRSRTHLT EDVINAAEKL VAIGCFCIGT NQVDLDAAAK RGIPVFNAPF DATA SEQUENCE SNTRSVAELV IGELLLLLRG VPEANAKAHR GVWNKLAAGS FEARGKKLGI DATA SEQUENCE IGYGHIGTQL GILAESLGMY VYFYDIENKL PLGNATQVQH LSDLLNMSDV DATA SEQUENCE VSLHVPENPS TKNMMGAKEI SLMKPGSLLI NASRGTVVDI PALCDALASK DATA SEQUENCE HLAGAAIDVF PTEPATNSDP FTSPLCEFDN VLLTPHIGGS TQEAQENIGL DATA SEQUENCE EVAGKLIKYS DNGSTLSAVN FPEVSLPLHG GRRLMHIHEN RPGVLTALNK DATA SEQUENCE IFAEQGVNIA AQYLQTSAQM GYVVIDIEAD EDVAEKALQA MKAIPGTIRA DATA SEQUENCE RLLY 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 7 E HA 0.000 nan 4.350 nan 0.000 0.291 7 E C 0.000 176.320 176.600 -0.466 0.000 1.382 7 E CA 0.000 56.028 56.400 -0.621 0.000 0.976 7 E CB 0.000 29.523 29.700 -0.296 0.000 0.812 8 K N 1.532 121.832 120.400 -0.167 0.000 6.527 8 K HA -0.143 4.178 4.320 0.001 0.000 0.707 8 K C -0.501 176.127 176.600 0.047 0.000 2.023 8 K CA 1.072 57.347 56.287 -0.020 0.000 1.629 8 K CB -0.744 31.789 32.500 0.054 0.000 1.835 8 K HN 0.783 nan 8.250 nan 0.000 0.314 9 D N 1.795 122.222 120.400 0.045 0.000 2.378 9 D HA -0.087 4.553 4.640 0.001 0.000 0.227 9 D C 0.999 177.375 176.300 0.127 0.000 1.012 9 D CA 0.618 54.666 54.000 0.080 0.000 0.905 9 D CB 0.320 41.148 40.800 0.046 0.000 0.895 9 D HN 0.294 nan 8.370 nan 0.000 0.532 10 K N 0.139 120.621 120.400 0.136 0.000 2.361 10 K HA 0.172 4.493 4.320 0.001 0.000 0.196 10 K C 0.759 177.513 176.600 0.256 0.000 1.039 10 K CA -0.173 56.210 56.287 0.159 0.000 1.001 10 K CB 0.345 32.921 32.500 0.128 0.000 0.795 10 K HN 0.362 nan 8.250 nan 0.000 0.495 11 I N 2.260 123.026 120.570 0.327 0.000 2.337 11 I HA 0.030 4.201 4.170 0.001 0.000 0.291 11 I C -0.187 176.240 176.117 0.517 0.000 1.046 11 I CA -0.384 61.213 61.300 0.495 0.000 1.324 11 I CB 0.451 38.705 38.000 0.422 0.000 1.409 11 I HN -0.111 nan 8.210 nan 0.000 0.494 12 K N 7.256 127.911 120.400 0.426 0.000 2.234 12 K HA 0.330 4.651 4.320 0.001 0.000 0.282 12 K C -1.588 175.168 176.600 0.261 0.000 1.039 12 K CA -0.353 56.107 56.287 0.287 0.000 0.928 12 K CB 0.748 33.306 32.500 0.097 0.000 1.039 12 K HN 0.457 nan 8.250 nan 0.000 0.470 13 F N 4.129 124.217 119.950 0.230 0.000 2.482 13 F HA 0.351 4.878 4.527 0.001 0.000 0.331 13 F C -0.446 175.443 175.800 0.149 0.000 1.115 13 F CA -0.957 57.180 58.000 0.227 0.000 0.955 13 F CB 1.478 40.582 39.000 0.172 0.000 1.136 13 F HN 0.338 nan 8.300 nan 0.000 0.452 14 L N 5.877 127.276 121.223 0.294 0.000 2.324 14 L HA 0.530 4.871 4.340 0.001 0.000 0.274 14 L C -1.442 175.530 176.870 0.171 0.000 1.012 14 L CA -0.203 54.752 54.840 0.191 0.000 0.859 14 L CB 0.439 42.577 42.059 0.132 0.000 1.224 14 L HN 0.450 nan 8.230 nan 0.000 0.429 15 L N 5.561 126.865 121.223 0.134 0.000 2.292 15 L HA 0.663 5.003 4.340 0.001 0.000 0.284 15 L C -0.423 176.371 176.870 -0.127 0.000 1.065 15 L CA -0.649 54.203 54.840 0.020 0.000 0.806 15 L CB 1.558 43.685 42.059 0.114 0.000 1.175 15 L HN 0.325 nan 8.230 nan 0.000 0.431 16 V N 2.094 121.909 119.914 -0.165 0.000 3.078 16 V HA 0.324 4.444 4.120 0.001 0.000 0.311 16 V C -0.112 175.853 176.094 -0.215 0.000 1.138 16 V CA -0.460 61.738 62.300 -0.170 0.000 1.007 16 V CB 2.059 33.854 31.823 -0.046 0.000 1.045 16 V HN 0.919 nan 8.190 nan 0.000 0.432 17 E N 1.883 121.961 120.200 -0.203 0.000 2.645 17 E HA -0.177 4.173 4.350 0.001 0.000 0.282 17 E C 0.756 177.259 176.600 -0.162 0.000 1.013 17 E CA 0.500 56.809 56.400 -0.152 0.000 0.842 17 E CB -1.278 28.367 29.700 -0.093 0.000 1.396 17 E HN 1.670 nan 8.360 nan 0.000 0.404 18 G N -0.173 108.465 108.800 -0.270 0.000 2.314 18 G HA2 -0.331 3.630 3.960 0.001 0.000 0.292 18 G HA3 -0.331 3.630 3.960 0.001 0.000 0.292 18 G C 0.355 175.259 174.900 0.006 0.000 1.059 18 G CA 0.273 45.294 45.100 -0.132 0.000 0.982 18 G HN 0.356 nan 8.290 nan 0.000 0.505 19 V N 1.355 121.233 119.914 -0.059 0.000 2.763 19 V HA 0.054 4.174 4.120 0.001 0.000 0.306 19 V C 1.541 177.755 176.094 0.199 0.000 1.059 19 V CA -0.372 61.905 62.300 -0.039 0.000 1.138 19 V CB 1.047 32.642 31.823 -0.380 0.000 0.940 19 V HN 0.555 nan 8.190 nan 0.000 0.489 20 H N 3.424 122.531 119.070 0.061 0.000 3.001 20 H HA -0.021 4.536 4.556 0.001 0.000 0.334 20 H C 0.964 176.298 175.328 0.011 0.000 1.034 20 H CA -0.177 55.909 56.048 0.064 0.000 1.420 20 H CB 1.013 30.818 29.762 0.071 0.000 1.405 20 H HN 0.691 nan 8.280 nan 0.000 0.593 21 Q N 3.574 123.011 119.800 -0.606 0.000 2.197 21 Q HA -0.171 4.169 4.340 0.001 0.000 0.207 21 Q C 1.841 177.629 176.000 -0.353 0.000 0.984 21 Q CA 1.565 57.066 55.803 -0.503 0.000 0.869 21 Q CB -0.003 28.442 28.738 -0.489 0.000 0.906 21 Q HN 0.494 nan 8.270 nan 0.000 0.426 22 K N -0.486 119.711 120.400 -0.338 0.000 2.211 22 K HA -0.059 4.261 4.320 0.001 0.000 0.204 22 K C 1.625 178.241 176.600 0.026 0.000 1.047 22 K CA 1.138 57.419 56.287 -0.010 0.000 0.935 22 K CB -0.449 32.210 32.500 0.266 0.000 0.728 22 K HN 0.283 nan 8.250 nan 0.000 0.452 23 A N 0.191 123.046 122.820 0.059 0.000 1.897 23 A HA -0.079 4.242 4.320 0.001 0.000 0.215 23 A C 1.829 179.395 177.584 -0.031 0.000 1.181 23 A CA 0.941 53.032 52.037 0.090 0.000 0.620 23 A CB -0.401 18.733 19.000 0.224 0.000 0.821 23 A HN 0.156 nan 8.150 nan 0.000 0.443 24 L N -0.034 121.124 121.223 -0.108 0.000 2.131 24 L HA -0.180 4.160 4.340 0.001 0.000 0.210 24 L C 2.346 179.131 176.870 -0.142 0.000 1.092 24 L CA 1.893 56.634 54.840 -0.166 0.000 0.759 24 L CB -1.491 40.397 42.059 -0.284 0.000 0.903 24 L HN 0.551 nan 8.230 nan 0.000 0.435 25 E N -0.436 119.692 120.200 -0.121 0.000 2.046 25 E HA -0.125 4.225 4.350 0.001 0.000 0.190 25 E C 2.284 178.840 176.600 -0.073 0.000 0.982 25 E CA 1.266 57.609 56.400 -0.094 0.000 0.800 25 E CB 0.095 29.748 29.700 -0.079 0.000 0.756 25 E HN 0.380 nan 8.360 nan 0.000 0.449 26 S N 1.227 116.892 115.700 -0.059 0.000 2.351 26 S HA -0.184 4.287 4.470 0.001 0.000 0.220 26 S C 1.906 176.463 174.600 -0.071 0.000 1.035 26 S CA 0.907 59.076 58.200 -0.052 0.000 1.031 26 S CB -0.320 62.856 63.200 -0.039 0.000 0.928 26 S HN 0.077 nan 8.310 nan 0.000 0.433 27 L N 1.913 123.063 121.223 -0.122 0.000 1.978 27 L HA -0.137 4.204 4.340 0.001 0.000 0.218 27 L C 2.509 179.336 176.870 -0.072 0.000 1.075 27 L CA 1.737 56.469 54.840 -0.179 0.000 0.767 27 L CB -1.205 40.636 42.059 -0.362 0.000 0.890 27 L HN 0.283 nan 8.230 nan 0.000 0.434 28 R N -0.972 119.476 120.500 -0.087 0.000 2.105 28 R HA -0.156 4.184 4.340 0.001 0.000 0.239 28 R C 2.121 178.389 176.300 -0.053 0.000 1.135 28 R CA 1.329 57.390 56.100 -0.064 0.000 0.967 28 R CB -0.579 29.676 30.300 -0.074 0.000 0.861 28 R HN 0.422 nan 8.270 nan 0.000 0.442 29 A N 1.124 123.914 122.820 -0.049 0.000 2.019 29 A HA -0.038 4.283 4.320 0.001 0.000 0.219 29 A C 2.222 179.782 177.584 -0.040 0.000 1.164 29 A CA 1.517 53.528 52.037 -0.043 0.000 0.644 29 A CB -0.304 18.673 19.000 -0.038 0.000 0.805 29 A HN 0.380 nan 8.150 nan 0.000 0.449 30 A N -2.208 120.602 122.820 -0.017 0.000 2.169 30 A HA 0.403 4.724 4.320 0.001 0.000 0.212 30 A C 1.886 179.378 177.584 -0.154 0.000 1.153 30 A CA 1.328 53.362 52.037 -0.004 0.000 0.756 30 A CB -0.632 18.479 19.000 0.184 0.000 0.813 30 A HN 1.767 nan 8.150 nan 0.000 0.471 31 G N -2.290 106.422 108.800 -0.146 0.000 2.232 31 G HA2 -0.262 3.698 3.960 0.001 0.000 0.226 31 G HA3 -0.262 3.698 3.960 0.001 0.000 0.226 31 G C 0.038 174.798 174.900 -0.234 0.000 0.996 31 G CA 0.055 45.026 45.100 -0.216 0.000 0.626 31 G HN 0.392 nan 8.290 nan 0.000 0.509 32 Y N 2.668 122.939 120.300 -0.048 0.000 2.730 32 Y HA 0.369 4.920 4.550 0.001 0.000 0.357 32 Y C 1.975 177.836 175.900 -0.066 0.000 1.167 32 Y CA 0.996 59.079 58.100 -0.029 0.000 1.579 32 Y CB 0.483 38.838 38.460 -0.174 0.000 1.262 32 Y HN 0.246 nan 8.280 nan 0.000 0.510 33 T N -2.299 112.311 114.554 0.094 0.000 3.054 33 T HA 0.049 4.400 4.350 0.001 0.000 0.255 33 T C 0.437 175.193 174.700 0.092 0.000 1.035 33 T CA -0.468 61.663 62.100 0.052 0.000 0.941 33 T CB -0.189 68.687 68.868 0.014 0.000 1.026 33 T HN 0.609 nan 8.240 nan 0.000 0.533 34 N N 1.595 120.405 118.700 0.183 0.000 2.918 34 N HA 0.354 5.094 4.740 0.001 0.000 0.247 34 N C -0.977 174.676 175.510 0.239 0.000 1.117 34 N CA -0.386 52.781 53.050 0.194 0.000 1.005 34 N CB 0.133 38.757 38.487 0.228 0.000 1.297 34 N HN 0.432 nan 8.380 nan 0.000 0.513 35 I N 1.268 121.928 120.570 0.151 0.000 2.433 35 I HA 0.236 4.406 4.170 0.001 0.000 0.292 35 I C -0.044 176.139 176.117 0.109 0.000 1.001 35 I CA -0.804 60.590 61.300 0.157 0.000 1.119 35 I CB 2.001 40.045 38.000 0.074 0.000 1.289 35 I HN 0.339 nan 8.210 nan 0.000 0.438 36 E N 6.135 126.403 120.200 0.113 0.000 2.073 36 E HA 0.323 4.674 4.350 0.001 0.000 0.269 36 E C -1.570 175.000 176.600 -0.049 0.000 0.917 36 E CA -0.584 55.821 56.400 0.008 0.000 0.757 36 E CB 1.038 30.745 29.700 0.013 0.000 1.111 36 E HN 0.416 nan 8.360 nan 0.000 0.410 37 F N 3.277 123.053 119.950 -0.290 0.000 2.377 37 F HA 0.418 4.945 4.527 0.001 0.000 0.328 37 F C -0.674 174.811 175.800 -0.526 0.000 1.094 37 F CA -0.109 57.719 58.000 -0.288 0.000 1.093 37 F CB 1.062 39.961 39.000 -0.169 0.000 1.214 37 F HN 0.559 nan 8.300 nan 0.000 0.518 38 H N 3.120 121.757 119.070 -0.721 0.000 3.179 38 H HA 0.181 4.737 4.556 0.001 0.000 0.331 38 H C 0.193 175.112 175.328 -0.683 0.000 1.013 38 H CA -0.728 55.035 56.048 -0.474 0.000 1.430 38 H CB 1.673 31.275 29.762 -0.267 0.000 1.895 38 H HN 0.611 nan 8.280 nan 0.000 0.468 39 K N 2.198 122.431 120.400 -0.279 0.000 2.442 39 K HA 0.064 4.384 4.320 0.001 0.000 0.198 39 K C 0.421 176.942 176.600 -0.131 0.000 1.042 39 K CA 0.804 56.973 56.287 -0.196 0.000 0.958 39 K CB 0.217 32.710 32.500 -0.012 0.000 0.766 39 K HN 0.696 nan 8.250 nan 0.000 0.474 40 G N -0.594 108.140 108.800 -0.110 0.000 2.766 40 G HA2 0.582 4.542 3.960 0.001 0.000 0.288 40 G HA3 0.582 4.542 3.960 0.001 0.000 0.288 40 G C -1.573 173.266 174.900 -0.101 0.000 1.408 40 G CA -0.558 44.489 45.100 -0.087 0.000 0.852 40 G HN 0.182 nan 8.290 nan 0.000 0.487 41 A N -0.562 122.210 122.820 -0.080 0.000 2.462 41 A HA 0.574 4.895 4.320 0.001 0.000 0.243 41 A C -0.247 177.273 177.584 -0.106 0.000 1.076 41 A CA -0.009 51.981 52.037 -0.077 0.000 0.773 41 A CB 0.230 19.205 19.000 -0.041 0.000 1.010 41 A HN 0.495 nan 8.150 nan 0.000 0.493 42 L N 2.602 123.748 121.223 -0.128 0.000 2.375 42 L HA 0.230 4.570 4.340 0.001 0.000 0.271 42 L C 0.535 177.347 176.870 -0.098 0.000 1.107 42 L CA -0.063 54.678 54.840 -0.165 0.000 0.806 42 L CB 1.009 42.937 42.059 -0.219 0.000 1.146 42 L HN 0.777 nan 8.230 nan 0.000 0.447 43 D N 1.534 121.877 120.400 -0.096 0.000 2.417 43 D HA -0.082 4.559 4.640 0.001 0.000 0.250 43 D C 0.507 176.777 176.300 -0.051 0.000 1.166 43 D CA -0.277 53.687 54.000 -0.061 0.000 0.881 43 D CB 0.990 41.756 40.800 -0.056 0.000 1.164 43 D HN 0.591 nan 8.370 nan 0.000 0.467 44 D N 2.358 122.738 120.400 -0.034 0.000 2.345 44 D HA -0.289 4.351 4.640 0.001 0.000 0.190 44 D C 1.642 177.926 176.300 -0.027 0.000 1.024 44 D CA 1.869 55.854 54.000 -0.025 0.000 0.893 44 D CB 0.316 41.105 40.800 -0.019 0.000 0.907 44 D HN 0.733 nan 8.370 nan 0.000 0.452 45 E N 0.591 120.774 120.200 -0.029 0.000 2.051 45 E HA -0.236 4.115 4.350 0.001 0.000 0.192 45 E C 2.085 178.667 176.600 -0.030 0.000 0.991 45 E CA 1.009 57.393 56.400 -0.026 0.000 0.799 45 E CB -0.838 28.848 29.700 -0.023 0.000 0.748 45 E HN 0.451 nan 8.360 nan 0.000 0.449 46 Q N 0.197 119.972 119.800 -0.043 0.000 2.331 46 Q HA -0.016 4.324 4.340 0.001 0.000 0.203 46 Q C 2.247 178.215 176.000 -0.053 0.000 0.944 46 Q CA 0.193 55.967 55.803 -0.048 0.000 0.892 46 Q CB 0.057 28.752 28.738 -0.070 0.000 0.983 46 Q HN 0.248 nan 8.270 nan 0.000 0.482 47 L N 1.052 122.241 121.223 -0.056 0.000 2.046 47 L HA -0.177 4.164 4.340 0.001 0.000 0.208 47 L C 1.699 178.555 176.870 -0.023 0.000 1.077 47 L CA 1.927 56.740 54.840 -0.045 0.000 0.747 47 L CB -0.227 41.810 42.059 -0.037 0.000 0.896 47 L HN 0.026 nan 8.230 nan 0.000 0.432 48 K N -0.647 119.740 120.400 -0.021 0.000 2.097 48 K HA -0.184 4.136 4.320 0.001 0.000 0.205 48 K C 2.056 178.647 176.600 -0.015 0.000 1.050 48 K CA 1.368 57.645 56.287 -0.017 0.000 0.938 48 K CB -0.168 32.323 32.500 -0.016 0.000 0.718 48 K HN 0.490 nan 8.250 nan 0.000 0.442 49 E N 0.665 120.857 120.200 -0.014 0.000 2.150 49 E HA -0.131 4.219 4.350 0.001 0.000 0.193 49 E C 1.516 178.117 176.600 0.002 0.000 0.985 49 E CA 1.037 57.432 56.400 -0.007 0.000 0.814 49 E CB 0.222 29.918 29.700 -0.006 0.000 0.752 49 E HN 0.126 nan 8.360 nan 0.000 0.466 50 S N 0.595 116.300 115.700 0.009 0.000 2.388 50 S HA -0.007 4.463 4.470 0.001 0.000 0.223 50 S C 1.945 176.555 174.600 0.017 0.000 1.034 50 S CA 0.411 58.633 58.200 0.035 0.000 0.963 50 S CB -0.051 63.191 63.200 0.070 0.000 0.827 50 S HN 0.308 nan 8.310 nan 0.000 0.481 51 I N 2.684 123.255 120.570 0.002 0.000 2.439 51 I HA -0.203 3.968 4.170 0.001 0.000 0.251 51 I C 2.486 178.579 176.117 -0.040 0.000 1.139 51 I CA 0.773 62.064 61.300 -0.014 0.000 1.438 51 I CB -0.106 37.887 38.000 -0.012 0.000 1.085 51 I HN 0.284 nan 8.210 nan 0.000 0.427 52 R N 1.162 121.640 120.500 -0.037 0.000 2.113 52 R HA -0.246 4.095 4.340 0.001 0.000 0.244 52 R C 1.385 177.638 176.300 -0.078 0.000 1.142 52 R CA 2.113 58.184 56.100 -0.048 0.000 0.953 52 R CB -1.124 29.155 30.300 -0.035 0.000 0.860 52 R HN 0.486 nan 8.270 nan 0.000 0.438 53 D N 0.718 121.066 120.400 -0.086 0.000 2.349 53 D HA 0.141 4.782 4.640 0.001 0.000 0.214 53 D C 0.210 176.373 176.300 -0.228 0.000 1.063 53 D CA 0.134 54.051 54.000 -0.139 0.000 0.847 53 D CB 0.177 40.921 40.800 -0.093 0.000 0.933 53 D HN 0.375 nan 8.370 nan 0.000 0.513 54 A N 0.578 123.298 122.820 -0.165 0.000 2.371 54 A HA 0.195 4.516 4.320 0.001 0.000 0.257 54 A C 0.587 178.018 177.584 -0.255 0.000 1.089 54 A CA -0.277 51.662 52.037 -0.163 0.000 0.794 54 A CB 0.489 19.457 19.000 -0.053 0.000 1.029 54 A HN 0.152 nan 8.150 nan 0.000 0.488 55 H N 0.575 119.526 119.070 -0.198 0.000 2.476 55 H HA 0.266 4.822 4.556 0.001 0.000 0.292 55 H C -0.754 174.106 175.328 -0.780 0.000 1.019 55 H CA 0.854 56.636 56.048 -0.445 0.000 1.330 55 H CB 0.270 29.783 29.762 -0.415 0.000 1.451 55 H HN 0.578 nan 8.280 nan 0.000 0.535 56 F N -0.030 119.756 119.950 -0.274 0.000 2.569 56 F HA 0.398 4.926 4.527 0.001 0.000 0.312 56 F C -0.408 175.327 175.800 -0.108 0.000 1.109 56 F CA -0.825 56.979 58.000 -0.327 0.000 0.919 56 F CB 2.516 40.965 39.000 -0.918 0.000 1.211 56 F HN -0.219 nan 8.300 nan 0.000 0.446 57 I N 1.984 122.670 120.570 0.193 0.000 2.436 57 I HA 0.729 4.900 4.170 0.001 0.000 0.289 57 I C -0.555 175.712 176.117 0.250 0.000 1.010 57 I CA -0.328 61.077 61.300 0.174 0.000 1.098 57 I CB 1.317 39.371 38.000 0.090 0.000 1.266 57 I HN 0.683 nan 8.210 nan 0.000 0.434 58 G N 8.371 117.325 108.800 0.258 0.000 2.468 58 G HA2 0.597 4.557 3.960 0.001 0.000 0.315 58 G HA3 0.597 4.557 3.960 0.001 0.000 0.315 58 G C -0.982 173.992 174.900 0.124 0.000 1.203 58 G CA -0.527 44.776 45.100 0.338 0.000 0.962 58 G HN 0.688 nan 8.290 nan 0.000 0.476 59 L N -0.133 121.210 121.223 0.200 0.000 2.230 59 L HA 0.798 5.139 4.340 0.001 0.000 0.255 59 L C 0.498 177.443 176.870 0.124 0.000 1.039 59 L CA -1.532 53.355 54.840 0.077 0.000 0.846 59 L CB 1.742 43.827 42.059 0.044 0.000 1.419 59 L HN 0.402 nan 8.230 nan 0.000 0.435 60 R N -0.447 120.076 120.500 0.039 0.000 1.889 60 R HA 0.365 4.706 4.340 0.001 0.000 0.134 60 R C 0.808 177.102 176.300 -0.009 0.000 2.065 60 R CA 0.721 56.850 56.100 0.048 0.000 1.705 60 R CB 0.030 30.341 30.300 0.019 0.000 1.387 60 R HN 0.881 nan 8.270 nan 0.000 0.484 61 S N -0.898 114.771 115.700 -0.052 0.000 2.800 61 S HA 0.208 4.679 4.470 0.001 0.000 0.266 61 S C 1.218 175.728 174.600 -0.151 0.000 1.029 61 S CA -0.562 57.575 58.200 -0.105 0.000 1.302 61 S CB 0.646 63.799 63.200 -0.078 0.000 1.212 61 S HN 0.171 nan 8.310 nan 0.000 0.683 62 R N 2.541 122.981 120.500 -0.099 0.000 2.090 62 R HA 0.091 4.431 4.340 0.001 0.000 0.219 62 R C 0.669 176.937 176.300 -0.053 0.000 1.100 62 R CA 1.536 57.607 56.100 -0.049 0.000 0.991 62 R CB -0.368 29.924 30.300 -0.013 0.000 0.893 62 R HN 0.511 nan 8.270 nan 0.000 0.443 63 T N -0.117 114.392 114.554 -0.076 0.000 2.901 63 T HA 0.070 4.421 4.350 0.001 0.000 0.301 63 T C -0.325 174.292 174.700 -0.139 0.000 1.012 63 T CA -0.235 61.845 62.100 -0.033 0.000 1.135 63 T CB 0.713 69.565 68.868 -0.028 0.000 0.936 63 T HN 0.211 nan 8.240 nan 0.000 0.539 64 H N 3.312 122.374 119.070 -0.015 0.000 2.638 64 H HA 0.287 4.844 4.556 0.001 0.000 0.303 64 H C -0.681 174.639 175.328 -0.013 0.000 1.034 64 H CA -0.822 55.218 56.048 -0.012 0.000 1.225 64 H CB 1.309 31.064 29.762 -0.013 0.000 1.394 64 H HN 0.374 nan 8.280 nan 0.000 0.477 65 L N 3.962 125.210 121.223 0.042 0.000 2.356 65 L HA 0.085 4.425 4.340 0.001 0.000 0.282 65 L C 0.819 177.707 176.870 0.029 0.000 1.132 65 L CA 0.310 55.164 54.840 0.024 0.000 0.923 65 L CB 0.318 42.376 42.059 -0.001 0.000 1.278 65 L HN 0.510 nan 8.230 nan 0.000 0.436 66 T N 1.046 115.621 114.554 0.036 0.000 2.884 66 T HA 0.137 4.488 4.350 0.001 0.000 0.277 66 T C 1.178 175.882 174.700 0.007 0.000 0.976 66 T CA -0.214 61.901 62.100 0.025 0.000 0.956 66 T CB 0.889 69.772 68.868 0.026 0.000 1.113 66 T HN 0.727 nan 8.240 nan 0.000 0.554 67 E N 0.170 120.371 120.200 0.003 0.000 2.035 67 E HA -0.228 4.122 4.350 0.001 0.000 0.204 67 E C 1.507 178.104 176.600 -0.006 0.000 1.025 67 E CA 2.281 58.679 56.400 -0.004 0.000 0.835 67 E CB -0.229 29.468 29.700 -0.004 0.000 0.764 67 E HN 0.815 nan 8.360 nan 0.000 0.457 68 D N -0.249 120.148 120.400 -0.005 0.000 2.310 68 D HA -0.112 4.528 4.640 0.001 0.000 0.212 68 D C 1.982 178.277 176.300 -0.008 0.000 0.965 68 D CA 0.718 54.714 54.000 -0.007 0.000 0.879 68 D CB -0.013 40.782 40.800 -0.008 0.000 0.921 68 D HN 0.185 nan 8.370 nan 0.000 0.510 69 V N 1.172 121.083 119.914 -0.005 0.000 2.446 69 V HA -0.127 3.993 4.120 0.001 0.000 0.244 69 V C 2.719 178.806 176.094 -0.011 0.000 1.039 69 V CA 0.659 62.956 62.300 -0.006 0.000 1.045 69 V CB -0.328 31.497 31.823 0.002 0.000 0.681 69 V HN 0.130 nan 8.190 nan 0.000 0.459 70 I N 0.584 121.147 120.570 -0.011 0.000 2.226 70 I HA -0.212 3.958 4.170 0.001 0.000 0.245 70 I C 2.197 178.302 176.117 -0.020 0.000 1.100 70 I CA 1.431 62.721 61.300 -0.018 0.000 1.374 70 I CB -0.451 37.538 38.000 -0.018 0.000 1.057 70 I HN 0.379 nan 8.210 nan 0.000 0.413 71 N N 0.808 119.499 118.700 -0.016 0.000 2.573 71 N HA -0.055 4.685 4.740 0.001 0.000 0.187 71 N C 1.593 177.093 175.510 -0.017 0.000 1.107 71 N CA 0.942 53.983 53.050 -0.016 0.000 0.918 71 N CB 0.235 38.715 38.487 -0.012 0.000 0.966 71 N HN 0.342 nan 8.380 nan 0.000 0.448 72 A N 0.431 123.240 122.820 -0.018 0.000 2.044 72 A HA 0.330 4.651 4.320 0.001 0.000 0.213 72 A C 1.071 178.639 177.584 -0.027 0.000 1.169 72 A CA 0.105 52.130 52.037 -0.020 0.000 0.724 72 A CB 0.216 19.205 19.000 -0.017 0.000 0.840 72 A HN 0.178 nan 8.150 nan 0.000 0.463 73 A N 1.122 123.923 122.820 -0.032 0.000 2.310 73 A HA 0.466 4.786 4.320 0.001 0.000 0.300 73 A C 0.745 178.300 177.584 -0.047 0.000 1.269 73 A CA 0.095 52.105 52.037 -0.045 0.000 0.909 73 A CB -0.095 18.875 19.000 -0.049 0.000 1.144 73 A HN 0.572 nan 8.150 nan 0.000 0.540 74 E N 2.350 122.519 120.200 -0.051 0.000 2.385 74 E HA 0.017 4.368 4.350 0.001 0.000 0.194 74 E C 0.317 176.889 176.600 -0.045 0.000 1.013 74 E CA 0.366 56.740 56.400 -0.042 0.000 0.866 74 E CB 0.117 29.797 29.700 -0.034 0.000 0.832 74 E HN 0.433 nan 8.360 nan 0.000 0.500 75 K N 0.855 121.208 120.400 -0.078 0.000 2.414 75 K HA 0.202 4.522 4.320 0.001 0.000 0.204 75 K C 0.020 176.604 176.600 -0.028 0.000 1.026 75 K CA -0.518 55.733 56.287 -0.059 0.000 1.108 75 K CB 0.414 32.768 32.500 -0.243 0.000 0.855 75 K HN 0.111 nan 8.250 nan 0.000 0.517 76 L N 1.804 122.976 121.223 -0.085 0.000 2.534 76 L HA -0.051 4.290 4.340 0.001 0.000 0.271 76 L C 1.116 177.884 176.870 -0.170 0.000 1.178 76 L CA 0.523 55.282 54.840 -0.134 0.000 0.907 76 L CB 0.601 42.601 42.059 -0.099 0.000 1.164 76 L HN -0.140 nan 8.230 nan 0.000 0.482 77 V N 4.450 124.156 119.914 -0.348 0.000 2.690 77 V HA 0.467 4.587 4.120 0.001 0.000 0.240 77 V C 0.700 176.697 176.094 -0.162 0.000 1.078 77 V CA 0.887 62.986 62.300 -0.335 0.000 1.102 77 V CB -0.061 31.365 31.823 -0.662 0.000 0.800 77 V HN 0.886 nan 8.190 nan 0.000 0.479 78 A N -0.509 122.202 122.820 -0.181 0.000 2.606 78 A HA 0.790 5.111 4.320 0.001 0.000 0.293 78 A C -1.454 176.211 177.584 0.135 0.000 1.082 78 A CA -0.436 51.638 52.037 0.063 0.000 0.685 78 A CB 1.507 20.761 19.000 0.424 0.000 1.284 78 A HN 0.146 nan 8.150 nan 0.000 0.408 79 I N 1.303 121.902 120.570 0.048 0.000 2.389 79 I HA 0.518 4.689 4.170 0.001 0.000 0.288 79 I C 0.547 176.745 176.117 0.135 0.000 0.999 79 I CA -0.516 60.831 61.300 0.077 0.000 1.129 79 I CB 2.131 40.119 38.000 -0.020 0.000 1.288 79 I HN 0.759 nan 8.210 nan 0.000 0.444 80 G N 5.240 114.165 108.800 0.209 0.000 2.415 80 G HA2 0.383 4.343 3.960 0.001 0.000 0.317 80 G HA3 0.383 4.343 3.960 0.001 0.000 0.317 80 G C -0.770 174.228 174.900 0.162 0.000 1.152 80 G CA -0.214 44.984 45.100 0.163 0.000 0.956 80 G HN 0.642 nan 8.290 nan 0.000 0.458 81 C N 3.216 122.541 119.300 0.041 0.000 2.322 81 C HA 0.253 4.713 4.460 0.001 0.000 0.343 81 C C 0.145 175.135 174.990 0.001 0.000 1.190 81 C CA -0.617 58.436 59.018 0.059 0.000 1.704 81 C CB -1.475 26.260 27.740 -0.008 0.000 2.293 81 C HN 0.633 nan 8.230 nan 0.000 0.523 82 F N 4.037 123.989 119.950 0.004 0.000 2.640 82 F HA 0.377 4.905 4.527 0.001 0.000 0.354 82 F C 1.200 176.991 175.800 -0.016 0.000 1.213 82 F CA -0.033 57.969 58.000 0.003 0.000 1.314 82 F CB -0.369 38.647 39.000 0.026 0.000 1.679 82 F HN 0.819 nan 8.300 nan 0.000 0.622 83 C N -0.430 118.896 119.300 0.044 0.000 2.986 83 C HA 0.327 4.787 4.460 0.001 0.000 0.326 83 C C 0.841 175.800 174.990 -0.052 0.000 1.335 83 C CA -1.365 57.656 59.018 0.005 0.000 1.223 83 C CB 0.065 27.812 27.740 0.012 0.000 1.354 83 C HN 0.460 nan 8.230 nan 0.000 0.447 84 I N 2.284 122.818 120.570 -0.061 0.000 2.494 84 I HA 0.448 4.618 4.170 0.001 0.000 0.250 84 I C 1.310 177.380 176.117 -0.078 0.000 1.112 84 I CA 1.775 63.017 61.300 -0.095 0.000 1.438 84 I CB -0.805 37.137 38.000 -0.097 0.000 1.111 84 I HN 1.224 nan 8.210 nan 0.000 0.431 85 G N 0.286 109.054 108.800 -0.054 0.000 2.353 85 G HA2 0.273 4.234 3.960 0.001 0.000 0.239 85 G HA3 0.273 4.234 3.960 0.001 0.000 0.239 85 G C 0.248 175.115 174.900 -0.055 0.000 1.295 85 G CA 0.488 45.559 45.100 -0.048 0.000 0.884 85 G HN 0.310 nan 8.290 nan 0.000 0.537 86 T N 0.613 115.135 114.554 -0.052 0.000 3.475 86 T HA 0.087 4.438 4.350 0.001 0.000 0.310 86 T C 1.158 175.829 174.700 -0.049 0.000 0.963 86 T CA -0.172 61.895 62.100 -0.056 0.000 0.985 86 T CB -0.430 68.400 68.868 -0.064 0.000 1.198 86 T HN 0.640 nan 8.240 nan 0.000 0.508 87 N N 0.655 119.330 118.700 -0.042 0.000 2.235 87 N HA 0.069 4.810 4.740 0.001 0.000 0.209 87 N C 0.625 176.123 175.510 -0.021 0.000 1.122 87 N CA -0.155 52.881 53.050 -0.023 0.000 0.845 87 N CB 0.105 38.591 38.487 -0.002 0.000 1.004 87 N HN 0.322 nan 8.380 nan 0.000 0.499 88 Q N 0.028 119.779 119.800 -0.083 0.000 2.228 88 Q HA 0.346 4.686 4.340 0.001 0.000 0.211 88 Q C -0.295 175.657 176.000 -0.080 0.000 0.890 88 Q CA -0.224 55.477 55.803 -0.170 0.000 0.953 88 Q CB 0.605 29.064 28.738 -0.465 0.000 1.053 88 Q HN 0.199 nan 8.270 nan 0.000 0.471 89 V N -0.124 119.771 119.914 -0.032 0.000 2.888 89 V HA 0.276 4.396 4.120 0.001 0.000 0.309 89 V C -1.419 174.669 176.094 -0.011 0.000 1.114 89 V CA -1.007 61.281 62.300 -0.020 0.000 0.940 89 V CB 2.361 34.161 31.823 -0.037 0.000 1.021 89 V HN 0.026 nan 8.190 nan 0.000 0.426 90 D N 5.068 125.464 120.400 -0.006 0.000 2.545 90 D HA 0.096 4.736 4.640 0.001 0.000 0.227 90 D C 1.117 177.404 176.300 -0.021 0.000 1.150 90 D CA -0.005 53.990 54.000 -0.008 0.000 1.046 90 D CB 0.795 41.592 40.800 -0.004 0.000 1.098 90 D HN 0.459 nan 8.370 nan 0.000 0.502 91 L N 3.002 124.209 121.223 -0.027 0.000 1.965 91 L HA -0.277 4.064 4.340 0.001 0.000 0.226 91 L C 1.977 178.830 176.870 -0.028 0.000 1.083 91 L CA 2.203 57.020 54.840 -0.037 0.000 0.790 91 L CB -0.866 41.171 42.059 -0.038 0.000 0.898 91 L HN 0.435 nan 8.230 nan 0.000 0.439 92 D N -1.539 118.847 120.400 -0.023 0.000 2.310 92 D HA -0.096 4.545 4.640 0.001 0.000 0.212 92 D C 1.759 178.048 176.300 -0.018 0.000 0.965 92 D CA 1.040 55.026 54.000 -0.022 0.000 0.879 92 D CB -0.342 40.444 40.800 -0.024 0.000 0.921 92 D HN 0.338 nan 8.370 nan 0.000 0.510 93 A N 0.342 123.152 122.820 -0.017 0.000 2.067 93 A HA 0.378 4.699 4.320 0.001 0.000 0.217 93 A C 2.303 179.878 177.584 -0.015 0.000 1.156 93 A CA 1.146 53.174 52.037 -0.014 0.000 0.683 93 A CB -0.486 18.506 19.000 -0.012 0.000 0.808 93 A HN 0.329 nan 8.150 nan 0.000 0.455 94 A N -0.114 122.695 122.820 -0.019 0.000 1.903 94 A HA 0.362 4.682 4.320 0.001 0.000 0.213 94 A C 2.456 180.047 177.584 0.012 0.000 1.185 94 A CA 1.440 53.462 52.037 -0.024 0.000 0.628 94 A CB -0.958 18.010 19.000 -0.054 0.000 0.830 94 A HN 0.883 nan 8.150 nan 0.000 0.446 95 A N 0.500 123.341 122.820 0.035 0.000 1.865 95 A HA -0.240 4.080 4.320 0.001 0.000 0.217 95 A C 2.129 179.733 177.584 0.033 0.000 1.191 95 A CA 2.186 54.279 52.037 0.094 0.000 0.623 95 A CB -0.605 18.401 19.000 0.010 0.000 0.826 95 A HN 0.547 nan 8.150 nan 0.000 0.444 96 K N -0.672 119.724 120.400 -0.007 0.000 2.218 96 K HA -0.152 4.169 4.320 0.001 0.000 0.205 96 K C 1.810 178.407 176.600 -0.005 0.000 1.046 96 K CA 1.659 57.934 56.287 -0.019 0.000 0.933 96 K CB -0.131 32.358 32.500 -0.018 0.000 0.728 96 K HN 0.404 nan 8.250 nan 0.000 0.454 97 R N -0.955 119.551 120.500 0.009 0.000 2.393 97 R HA 0.071 4.411 4.340 0.001 0.000 0.244 97 R C 0.145 176.463 176.300 0.030 0.000 0.920 97 R CA 0.550 56.655 56.100 0.007 0.000 1.076 97 R CB 0.611 30.907 30.300 -0.007 0.000 1.119 97 R HN 0.450 nan 8.270 nan 0.000 0.524 98 G N 1.600 110.453 108.800 0.089 0.000 2.225 98 G HA2 -0.248 3.712 3.960 0.001 0.000 0.264 98 G HA3 -0.248 3.712 3.960 0.001 0.000 0.264 98 G C -0.079 174.872 174.900 0.085 0.000 1.060 98 G CA -0.045 45.171 45.100 0.194 0.000 0.833 98 G HN 0.273 nan 8.290 nan 0.000 0.498 99 I N 1.812 122.387 120.570 0.007 0.000 2.390 99 I HA 0.314 4.485 4.170 0.001 0.000 0.283 99 I C -1.943 173.899 176.117 -0.459 0.000 1.016 99 I CA -2.446 58.720 61.300 -0.224 0.000 1.151 99 I CB 2.092 40.013 38.000 -0.132 0.000 1.293 99 I HN -0.061 nan 8.210 nan 0.000 0.458 100 P HA 0.212 nan 4.420 nan 0.000 0.278 100 P C -0.693 176.104 177.300 -0.839 0.000 1.238 100 P CA -0.263 62.112 63.100 -1.209 0.000 0.794 100 P CB 2.085 32.642 31.700 -1.905 0.000 0.955 101 V N 3.565 123.051 119.914 -0.714 0.000 2.459 101 V HA 0.403 4.523 4.120 0.001 0.000 0.295 101 V C -0.059 175.662 176.094 -0.622 0.000 1.029 101 V CA -0.264 61.745 62.300 -0.485 0.000 0.874 101 V CB 0.678 32.350 31.823 -0.250 0.000 0.985 101 V HN 0.389 nan 8.190 nan 0.000 0.438 102 F N 3.956 123.802 119.950 -0.173 0.000 2.556 102 F HA 0.730 5.258 4.527 0.001 0.000 0.327 102 F C 0.355 176.051 175.800 -0.172 0.000 1.059 102 F CA -0.622 57.271 58.000 -0.178 0.000 0.953 102 F CB 2.103 40.987 39.000 -0.193 0.000 1.227 102 F HN 0.678 nan 8.300 nan 0.000 0.478 103 N N 0.357 119.071 118.700 0.024 0.000 3.039 103 N HA 0.684 5.425 4.740 0.001 0.000 0.257 103 N C -1.961 173.466 175.510 -0.138 0.000 1.497 103 N CA -0.999 52.000 53.050 -0.086 0.000 0.861 103 N CB 1.523 39.952 38.487 -0.097 0.000 1.479 103 N HN 0.596 nan 8.380 nan 0.000 0.547 104 A N 0.613 123.332 122.820 -0.168 0.000 2.802 104 A HA 0.487 4.808 4.320 0.001 0.000 0.344 104 A C -1.789 175.656 177.584 -0.231 0.000 1.215 104 A CA -1.365 50.560 52.037 -0.187 0.000 0.821 104 A CB 0.374 19.276 19.000 -0.163 0.000 1.099 104 A HN 0.631 nan 8.150 nan 0.000 0.479 105 P HA -0.139 nan 4.420 nan 0.000 0.202 105 P C 0.505 177.461 177.300 -0.574 0.000 1.171 105 P CA 1.215 63.944 63.100 -0.620 0.000 0.925 105 P CB -0.150 30.890 31.700 -1.100 0.000 0.760 106 F N 0.011 119.829 119.950 -0.221 0.000 2.869 106 F HA 0.229 4.756 4.527 0.001 0.000 0.298 106 F C 2.144 177.843 175.800 -0.168 0.000 1.235 106 F CA 0.026 57.841 58.000 -0.309 0.000 1.402 106 F CB -1.436 37.167 39.000 -0.660 0.000 1.142 106 F HN -0.046 nan 8.300 nan 0.000 0.529 107 S N 0.753 116.426 115.700 -0.045 0.000 2.558 107 S HA 0.011 4.481 4.470 0.001 0.000 0.217 107 S C 0.968 175.561 174.600 -0.012 0.000 0.975 107 S CA 0.161 58.343 58.200 -0.030 0.000 0.912 107 S CB -0.408 62.754 63.200 -0.063 0.000 0.776 107 S HN 0.684 nan 8.310 nan 0.000 0.526 108 N N -0.000 118.700 118.700 0.001 0.000 2.646 108 N HA 0.056 4.796 4.740 0.001 0.000 0.303 108 N C 0.608 176.124 175.510 0.011 0.000 1.921 108 N CA 0.280 53.332 53.050 0.003 0.000 0.872 108 N CB 0.632 39.121 38.487 0.005 0.000 1.327 108 N HN 0.179 nan 8.380 nan 0.000 0.492 109 T N -1.508 113.054 114.554 0.013 0.000 2.896 109 T HA -0.070 4.280 4.350 0.001 0.000 0.263 109 T C 1.978 176.661 174.700 -0.027 0.000 1.050 109 T CA 0.662 62.761 62.100 -0.001 0.000 1.140 109 T CB -0.013 68.863 68.868 0.012 0.000 0.877 109 T HN 0.071 nan 8.240 nan 0.000 0.457 110 R N 1.973 122.459 120.500 -0.023 0.000 2.091 110 R HA 0.028 4.368 4.340 0.001 0.000 0.238 110 R C 2.528 178.813 176.300 -0.025 0.000 1.136 110 R CA 1.899 57.981 56.100 -0.031 0.000 0.959 110 R CB -1.237 29.048 30.300 -0.025 0.000 0.856 110 R HN 0.529 nan 8.270 nan 0.000 0.437 111 S N -0.385 115.306 115.700 -0.015 0.000 2.351 111 S HA -0.131 4.339 4.470 0.001 0.000 0.220 111 S C 2.051 176.649 174.600 -0.004 0.000 1.035 111 S CA 1.540 59.735 58.200 -0.008 0.000 1.031 111 S CB -0.607 62.592 63.200 -0.001 0.000 0.928 111 S HN 0.155 nan 8.310 nan 0.000 0.433 112 V N 2.369 122.282 119.914 -0.001 0.000 2.332 112 V HA -0.232 3.888 4.120 0.001 0.000 0.248 112 V C 2.705 178.798 176.094 -0.001 0.000 1.055 112 V CA 1.755 64.062 62.300 0.011 0.000 1.038 112 V CB -1.399 30.440 31.823 0.026 0.000 0.651 112 V HN 0.566 nan 8.190 nan 0.000 0.450 113 A N -0.643 122.152 122.820 -0.042 0.000 1.898 113 A HA -0.214 4.107 4.320 0.001 0.000 0.216 113 A C 2.222 179.791 177.584 -0.025 0.000 1.181 113 A CA 1.678 53.680 52.037 -0.060 0.000 0.620 113 A CB -0.480 18.463 19.000 -0.096 0.000 0.819 113 A HN 0.580 nan 8.150 nan 0.000 0.442 114 E N -0.402 119.786 120.200 -0.020 0.000 2.118 114 E HA -0.179 4.171 4.350 0.001 0.000 0.195 114 E C 1.983 178.582 176.600 -0.001 0.000 0.992 114 E CA 0.968 57.362 56.400 -0.011 0.000 0.804 114 E CB -0.231 29.463 29.700 -0.010 0.000 0.741 114 E HN 0.596 nan 8.360 nan 0.000 0.458 115 L N 0.715 121.940 121.223 0.004 0.000 1.994 115 L HA -0.190 4.151 4.340 0.001 0.000 0.208 115 L C 2.411 179.290 176.870 0.016 0.000 1.071 115 L CA 1.289 56.134 54.840 0.009 0.000 0.745 115 L CB -0.311 41.754 42.059 0.009 0.000 0.892 115 L HN 0.072 nan 8.230 nan 0.000 0.431 116 V N 0.225 120.157 119.914 0.030 0.000 2.287 116 V HA -0.337 3.784 4.120 0.001 0.000 0.248 116 V C 2.585 178.699 176.094 0.032 0.000 1.053 116 V CA 1.494 63.822 62.300 0.046 0.000 1.027 116 V CB -0.425 31.460 31.823 0.103 0.000 0.646 116 V HN 0.338 nan 8.190 nan 0.000 0.447 117 I N 0.952 121.535 120.570 0.020 0.000 2.127 117 I HA -0.214 3.956 4.170 0.001 0.000 0.241 117 I C 2.651 178.776 176.117 0.013 0.000 1.075 117 I CA 2.225 63.533 61.300 0.014 0.000 1.334 117 I CB -1.808 36.192 38.000 0.001 0.000 1.040 117 I HN 0.408 nan 8.210 nan 0.000 0.405 118 G N 0.301 109.107 108.800 0.010 0.000 2.459 118 G HA2 -0.258 3.703 3.960 0.001 0.000 0.217 118 G HA3 -0.258 3.703 3.960 0.001 0.000 0.217 118 G C 1.580 176.487 174.900 0.012 0.000 1.183 118 G CA 0.681 45.786 45.100 0.009 0.000 0.776 118 G HN 0.448 nan 8.290 nan 0.000 0.552 119 E N 0.159 120.367 120.200 0.013 0.000 2.077 119 E HA -0.140 4.210 4.350 0.001 0.000 0.193 119 E C 2.527 179.137 176.600 0.017 0.000 0.989 119 E CA 1.253 57.661 56.400 0.013 0.000 0.800 119 E CB -0.233 29.473 29.700 0.010 0.000 0.746 119 E HN 0.522 nan 8.360 nan 0.000 0.452 120 L N -0.479 120.757 121.223 0.021 0.000 2.093 120 L HA -0.102 4.239 4.340 0.001 0.000 0.208 120 L C 2.014 178.901 176.870 0.028 0.000 1.085 120 L CA 1.485 56.340 54.840 0.026 0.000 0.755 120 L CB -0.743 41.334 42.059 0.031 0.000 0.904 120 L HN 0.017 nan 8.230 nan 0.000 0.435 121 L N -0.524 120.713 121.223 0.023 0.000 1.970 121 L HA -0.210 4.131 4.340 0.001 0.000 0.212 121 L C 2.708 179.592 176.870 0.024 0.000 1.071 121 L CA 1.685 56.538 54.840 0.023 0.000 0.751 121 L CB -0.619 41.448 42.059 0.014 0.000 0.889 121 L HN 0.337 nan 8.230 nan 0.000 0.432 122 L N -0.969 120.265 121.223 0.018 0.000 2.156 122 L HA -0.195 4.145 4.340 0.001 0.000 0.208 122 L C 2.503 179.385 176.870 0.020 0.000 1.095 122 L CA 0.875 55.724 54.840 0.015 0.000 0.770 122 L CB -0.419 41.647 42.059 0.011 0.000 0.914 122 L HN 0.319 nan 8.230 nan 0.000 0.439 123 L N -0.449 120.789 121.223 0.025 0.000 2.046 123 L HA -0.230 4.111 4.340 0.001 0.000 0.208 123 L C 2.479 179.376 176.870 0.045 0.000 1.077 123 L CA 0.878 55.736 54.840 0.030 0.000 0.747 123 L CB -0.228 41.847 42.059 0.026 0.000 0.896 123 L HN 0.243 nan 8.230 nan 0.000 0.432 124 L N -0.458 120.800 121.223 0.057 0.000 2.353 124 L HA -0.129 4.211 4.340 0.001 0.000 0.220 124 L C 2.317 179.242 176.870 0.092 0.000 1.133 124 L CA 1.440 56.342 54.840 0.103 0.000 0.798 124 L CB -0.456 41.667 42.059 0.106 0.000 0.922 124 L HN 0.109 nan 8.230 nan 0.000 0.445 125 R N -0.935 119.587 120.500 0.037 0.000 2.362 125 R HA 0.311 4.651 4.340 0.001 0.000 0.227 125 R C 1.307 177.592 176.300 -0.025 0.000 0.905 125 R CA 0.681 56.777 56.100 -0.007 0.000 1.067 125 R CB -0.100 30.193 30.300 -0.012 0.000 1.078 125 R HN 0.344 nan 8.270 nan 0.000 0.516 126 G N 0.804 109.603 108.800 -0.002 0.000 2.155 126 G HA2 -0.288 3.672 3.960 0.001 0.000 0.257 126 G HA3 -0.288 3.672 3.960 0.001 0.000 0.257 126 G C 0.964 175.855 174.900 -0.015 0.000 0.983 126 G CA 0.542 45.637 45.100 -0.007 0.000 0.676 126 G HN 0.192 nan 8.290 nan 0.000 0.528 127 V N 0.835 120.742 119.914 -0.012 0.000 2.332 127 V HA -0.150 3.970 4.120 0.001 0.000 0.248 127 V C 0.909 177.005 176.094 0.002 0.000 1.055 127 V CA 2.627 64.919 62.300 -0.013 0.000 1.038 127 V CB -1.048 30.770 31.823 -0.008 0.000 0.651 127 V HN 0.413 nan 8.190 nan 0.000 0.450 128 P HA -0.185 nan 4.420 nan 0.000 0.216 128 P C 1.674 178.991 177.300 0.029 0.000 1.150 128 P CA 1.630 64.744 63.100 0.024 0.000 0.837 128 P CB 0.132 31.852 31.700 0.034 0.000 0.786 129 E N -0.405 119.811 120.200 0.027 0.000 2.033 129 E HA -0.110 4.241 4.350 0.001 0.000 0.189 129 E C 2.032 178.638 176.600 0.011 0.000 0.979 129 E CA 0.946 57.363 56.400 0.028 0.000 0.802 129 E CB -0.640 29.078 29.700 0.030 0.000 0.763 129 E HN 0.001 nan 8.360 nan 0.000 0.449 130 A N 1.826 124.636 122.820 -0.017 0.000 1.948 130 A HA -0.283 4.037 4.320 0.001 0.000 0.220 130 A C 2.092 179.661 177.584 -0.025 0.000 1.177 130 A CA 1.922 53.925 52.037 -0.056 0.000 0.636 130 A CB -1.037 17.901 19.000 -0.103 0.000 0.815 130 A HN 0.500 nan 8.150 nan 0.000 0.449 131 N N 0.127 118.837 118.700 0.017 0.000 2.171 131 N HA -0.090 4.650 4.740 0.001 0.000 0.184 131 N C 1.951 177.562 175.510 0.169 0.000 1.021 131 N CA 1.338 54.446 53.050 0.097 0.000 0.854 131 N CB -0.241 38.299 38.487 0.089 0.000 0.994 131 N HN 0.357 nan 8.380 nan 0.000 0.426 132 A N 1.494 124.367 122.820 0.087 0.000 1.908 132 A HA -0.136 4.184 4.320 0.001 0.000 0.218 132 A C 2.224 179.870 177.584 0.103 0.000 1.181 132 A CA 1.301 53.384 52.037 0.077 0.000 0.627 132 A CB -0.362 18.666 19.000 0.047 0.000 0.818 132 A HN 0.363 nan 8.150 nan 0.000 0.445 133 K N -0.450 119.993 120.400 0.071 0.000 2.031 133 K HA 0.032 4.353 4.320 0.001 0.000 0.205 133 K C 2.377 179.020 176.600 0.072 0.000 1.049 133 K CA 0.945 57.268 56.287 0.059 0.000 0.939 133 K CB -0.363 32.153 32.500 0.026 0.000 0.717 133 K HN 0.406 nan 8.250 nan 0.000 0.438 134 A N 1.786 124.640 122.820 0.056 0.000 1.917 134 A HA -0.239 4.081 4.320 0.001 0.000 0.219 134 A C 1.896 179.476 177.584 -0.005 0.000 1.182 134 A CA 1.583 53.636 52.037 0.026 0.000 0.633 134 A CB -0.886 18.102 19.000 -0.019 0.000 0.819 134 A HN 0.337 nan 8.150 nan 0.000 0.448 135 H N -1.490 117.600 119.070 0.035 0.000 2.423 135 H HA -0.031 4.525 4.556 0.001 0.000 0.297 135 H C 2.034 177.384 175.328 0.037 0.000 1.075 135 H CA 1.638 57.708 56.048 0.036 0.000 1.342 135 H CB 0.079 29.858 29.762 0.028 0.000 1.395 135 H HN 0.463 nan 8.280 nan 0.000 0.530 136 R N -0.140 120.441 120.500 0.134 0.000 2.310 136 R HA 0.015 4.356 4.340 0.001 0.000 0.202 136 R C 0.995 177.333 176.300 0.064 0.000 0.933 136 R CA 0.592 56.745 56.100 0.088 0.000 1.054 136 R CB 0.341 30.686 30.300 0.075 0.000 0.985 136 R HN 0.464 nan 8.270 nan 0.000 0.489 137 G N -0.108 108.729 108.800 0.061 0.000 2.175 137 G HA2 -0.259 3.701 3.960 0.001 0.000 0.244 137 G HA3 -0.259 3.701 3.960 0.001 0.000 0.244 137 G C -0.125 174.829 174.900 0.090 0.000 0.982 137 G CA 0.182 45.319 45.100 0.062 0.000 0.641 137 G HN 0.326 nan 8.290 nan 0.000 0.527 138 V N 1.046 121.018 119.914 0.097 0.000 2.472 138 V HA 0.743 4.863 4.120 0.001 0.000 0.290 138 V C 0.073 176.275 176.094 0.180 0.000 1.037 138 V CA -1.187 61.188 62.300 0.125 0.000 0.908 138 V CB 1.485 33.358 31.823 0.084 0.000 0.985 138 V HN 0.476 nan 8.190 nan 0.000 0.454 139 W N 7.020 128.320 121.300 -0.001 0.000 2.316 139 W HA 0.463 5.123 4.660 0.001 0.000 0.308 139 W C -0.596 175.924 176.519 0.001 0.000 1.106 139 W CA -0.503 56.840 57.345 -0.002 0.000 1.262 139 W CB 1.381 30.837 29.460 -0.006 0.000 1.233 139 W HN 0.838 nan 8.180 nan 0.000 0.447 140 N N 5.096 123.668 118.700 -0.213 0.000 2.813 140 N HA 0.070 4.811 4.740 0.001 0.000 0.282 140 N C -0.889 174.463 175.510 -0.264 0.000 1.748 140 N CA -0.215 52.748 53.050 -0.144 0.000 0.860 140 N CB 0.447 38.889 38.487 -0.075 0.000 1.204 140 N HN 0.311 nan 8.380 nan 0.000 0.490 141 K N 2.727 122.934 120.400 -0.321 0.000 2.338 141 K HA 0.300 4.620 4.320 0.001 0.000 0.290 141 K C -1.015 175.524 176.600 -0.102 0.000 1.069 141 K CA 0.027 56.158 56.287 -0.261 0.000 0.941 141 K CB 0.286 32.681 32.500 -0.176 0.000 1.023 141 K HN 0.375 nan 8.250 nan 0.000 0.477 142 L N 3.099 124.257 121.223 -0.108 0.000 2.409 142 L HA 0.488 4.829 4.340 0.001 0.000 0.262 142 L C 0.146 176.960 176.870 -0.093 0.000 0.992 142 L CA -0.717 54.079 54.840 -0.074 0.000 0.817 142 L CB 2.125 44.145 42.059 -0.065 0.000 1.350 142 L HN 0.715 nan 8.230 nan 0.000 0.411 143 A N 0.929 123.696 122.820 -0.089 0.000 2.192 143 A HA 0.409 4.730 4.320 0.001 0.000 0.208 143 A C 1.993 179.476 177.584 -0.168 0.000 1.220 143 A CA 0.856 52.818 52.037 -0.124 0.000 0.900 143 A CB -0.012 18.932 19.000 -0.094 0.000 0.937 143 A HN 0.902 nan 8.150 nan 0.000 0.487 144 A N 0.076 122.827 122.820 -0.115 0.000 1.853 144 A HA -0.175 4.145 4.320 0.001 0.000 0.255 144 A C 1.825 179.317 177.584 -0.155 0.000 2.273 144 A CA 2.364 54.342 52.037 -0.098 0.000 0.797 144 A CB -1.343 17.626 19.000 -0.052 0.000 0.844 144 A HN 1.437 nan 8.150 nan 0.000 0.520 145 G N -1.442 107.232 108.800 -0.210 0.000 4.885 145 G HA2 0.468 4.429 3.960 0.001 0.000 0.263 145 G HA3 0.468 4.429 3.960 0.001 0.000 0.263 145 G C -0.081 174.490 174.900 -0.549 0.000 1.168 145 G CA 0.855 45.780 45.100 -0.293 0.000 0.906 145 G HN 1.122 nan 8.290 nan 0.000 0.575 146 S N -0.100 115.156 115.700 -0.739 0.000 2.489 146 S HA 0.857 5.328 4.470 0.001 0.000 0.291 146 S C -0.895 173.183 174.600 -0.870 0.000 1.151 146 S CA -0.685 57.193 58.200 -0.537 0.000 1.082 146 S CB 1.532 64.563 63.200 -0.282 0.000 1.019 146 S HN 0.078 nan 8.310 nan 0.000 0.492 147 F N 0.116 120.062 119.950 -0.005 0.000 2.599 147 F HA 0.487 5.014 4.527 0.001 0.000 0.311 147 F C 0.372 176.169 175.800 -0.004 0.000 1.076 147 F CA -1.008 56.990 58.000 -0.002 0.000 0.937 147 F CB 1.617 40.617 39.000 0.001 0.000 1.282 147 F HN 0.572 nan 8.300 nan 0.000 0.460 148 E N 0.354 120.668 120.200 0.190 0.000 2.349 148 E HA 0.464 4.815 4.350 0.001 0.000 0.265 148 E C 0.328 176.981 176.600 0.088 0.000 1.064 148 E CA -0.218 56.241 56.400 0.097 0.000 0.886 148 E CB 1.526 31.265 29.700 0.064 0.000 1.036 148 E HN 0.742 nan 8.360 nan 0.000 0.413 149 A N 3.326 126.173 122.820 0.046 0.000 1.930 149 A HA -0.117 4.204 4.320 0.001 0.000 0.217 149 A C 1.364 178.937 177.584 -0.018 0.000 1.175 149 A CA 0.643 52.692 52.037 0.019 0.000 0.627 149 A CB -0.095 18.909 19.000 0.006 0.000 0.815 149 A HN 0.508 nan 8.150 nan 0.000 0.443 150 R N 0.089 120.575 120.500 -0.023 0.000 2.480 150 R HA 0.192 4.533 4.340 0.001 0.000 0.303 150 R C 1.026 177.287 176.300 -0.065 0.000 0.985 150 R CA 1.135 57.199 56.100 -0.061 0.000 1.051 150 R CB -0.462 29.818 30.300 -0.034 0.000 0.935 150 R HN 0.902 nan 8.270 nan 0.000 0.410 151 G N 3.524 112.218 108.800 -0.176 0.000 2.194 151 G HA2 -0.211 3.750 3.960 0.001 0.000 0.236 151 G HA3 -0.211 3.750 3.960 0.001 0.000 0.236 151 G C -0.233 174.662 174.900 -0.008 0.000 0.987 151 G CA -0.041 44.989 45.100 -0.118 0.000 0.635 151 G HN 0.522 nan 8.290 nan 0.000 0.520 152 K N 0.750 121.123 120.400 -0.045 0.000 2.098 152 K HA 0.531 4.852 4.320 0.001 0.000 0.257 152 K C 0.324 176.999 176.600 0.124 0.000 0.999 152 K CA -0.309 56.005 56.287 0.045 0.000 0.924 152 K CB 0.864 33.370 32.500 0.009 0.000 1.028 152 K HN 0.325 nan 8.250 nan 0.000 0.466 153 K N 1.578 122.093 120.400 0.191 0.000 2.240 153 K HA 0.277 4.598 4.320 0.001 0.000 0.271 153 K C -0.342 176.378 176.600 0.200 0.000 1.018 153 K CA -0.844 55.620 56.287 0.295 0.000 0.874 153 K CB 0.989 33.646 32.500 0.262 0.000 1.098 153 K HN 0.224 nan 8.250 nan 0.000 0.458 154 L N 1.565 122.928 121.223 0.233 0.000 2.325 154 L HA 0.503 4.844 4.340 0.001 0.000 0.279 154 L C -0.124 176.891 176.870 0.242 0.000 1.054 154 L CA 0.194 55.143 54.840 0.182 0.000 0.804 154 L CB 1.501 43.649 42.059 0.147 0.000 1.200 154 L HN 0.691 nan 8.230 nan 0.000 0.436 155 G N 6.269 115.179 108.800 0.184 0.000 2.588 155 G HA2 0.533 4.493 3.960 0.001 0.000 0.312 155 G HA3 0.533 4.493 3.960 0.001 0.000 0.312 155 G C -0.769 174.259 174.900 0.214 0.000 1.257 155 G CA -0.415 44.805 45.100 0.199 0.000 0.994 155 G HN 0.590 nan 8.290 nan 0.000 0.498 156 I N 2.661 123.412 120.570 0.301 0.000 2.342 156 I HA 0.343 4.513 4.170 0.001 0.000 0.291 156 I C -0.140 176.194 176.117 0.361 0.000 1.010 156 I CA -0.504 60.998 61.300 0.337 0.000 1.308 156 I CB 1.693 39.937 38.000 0.407 0.000 1.400 156 I HN 0.229 nan 8.210 nan 0.000 0.488 157 I N 5.778 126.519 120.570 0.285 0.000 2.359 157 I HA 0.480 4.651 4.170 0.001 0.000 0.284 157 I C 0.321 176.599 176.117 0.267 0.000 1.018 157 I CA -0.351 61.130 61.300 0.302 0.000 1.173 157 I CB 1.364 39.491 38.000 0.211 0.000 1.326 157 I HN 0.874 nan 8.210 nan 0.000 0.462 158 G N 4.702 113.678 108.800 0.292 0.000 2.698 158 G HA2 -0.252 3.709 3.960 0.001 0.000 0.360 158 G HA3 -0.252 3.709 3.960 0.001 0.000 0.360 158 G C -0.828 174.200 174.900 0.213 0.000 1.005 158 G CA -0.814 44.419 45.100 0.221 0.000 1.293 158 G HN 0.591 nan 8.290 nan 0.000 0.590 159 Y N 2.423 122.730 120.300 0.013 0.000 2.830 159 Y HA 0.474 5.024 4.550 0.001 0.000 0.371 159 Y C 1.265 177.045 175.900 -0.199 0.000 1.246 159 Y CA 0.715 58.702 58.100 -0.188 0.000 1.890 159 Y CB -0.148 37.999 38.460 -0.521 0.000 1.995 159 Y HN 0.607 nan 8.280 nan 0.000 0.430 160 G N 0.102 108.786 108.800 -0.193 0.000 3.227 160 G HA2 0.005 3.966 3.960 0.001 0.000 0.171 160 G HA3 0.005 3.966 3.960 0.001 0.000 0.171 160 G C 0.883 175.561 174.900 -0.370 0.000 1.463 160 G CA -0.174 44.786 45.100 -0.234 0.000 1.016 160 G HN 0.501 nan 8.290 nan 0.000 0.594 161 H N -0.429 118.462 119.070 -0.298 0.000 2.353 161 H HA -0.014 4.542 4.556 0.001 0.000 0.300 161 H C 2.531 177.697 175.328 -0.269 0.000 1.090 161 H CA 1.578 57.447 56.048 -0.298 0.000 1.327 161 H CB 0.228 29.826 29.762 -0.274 0.000 1.383 161 H HN 0.180 nan 8.280 nan 0.000 0.508 162 I N -0.289 120.203 120.570 -0.129 0.000 2.429 162 I HA -0.050 4.121 4.170 0.001 0.000 0.247 162 I C 2.881 178.726 176.117 -0.453 0.000 1.099 162 I CA 0.726 61.863 61.300 -0.272 0.000 1.422 162 I CB -0.538 37.292 38.000 -0.283 0.000 1.112 162 I HN 0.163 nan 8.210 nan 0.000 0.430 163 G N 0.984 109.514 108.800 -0.450 0.000 2.503 163 G HA2 -0.279 3.682 3.960 0.001 0.000 0.221 163 G HA3 -0.279 3.682 3.960 0.001 0.000 0.221 163 G C 1.636 176.179 174.900 -0.594 0.000 1.131 163 G CA 1.779 46.623 45.100 -0.427 0.000 0.756 163 G HN 0.281 nan 8.290 nan 0.000 0.572 164 T N 0.506 114.584 114.554 -0.794 0.000 2.643 164 T HA -0.115 4.235 4.350 0.001 0.000 0.264 164 T C 2.467 176.944 174.700 -0.371 0.000 1.045 164 T CA 1.403 63.048 62.100 -0.758 0.000 1.155 164 T CB -0.236 68.245 68.868 -0.646 0.000 0.863 164 T HN 0.140 nan 8.240 nan 0.000 0.420 165 Q N 0.436 120.059 119.800 -0.295 0.000 2.045 165 Q HA -0.112 4.228 4.340 0.001 0.000 0.206 165 Q C 2.458 178.365 176.000 -0.155 0.000 0.991 165 Q CA 1.291 56.981 55.803 -0.188 0.000 0.851 165 Q CB -0.864 27.778 28.738 -0.160 0.000 0.911 165 Q HN 0.372 nan 8.270 nan 0.000 0.418 166 L N 0.383 121.493 121.223 -0.189 0.000 2.042 166 L HA -0.101 4.239 4.340 0.001 0.000 0.210 166 L C 2.133 178.967 176.870 -0.060 0.000 1.076 166 L CA 2.463 57.231 54.840 -0.120 0.000 0.749 166 L CB -1.104 40.868 42.059 -0.145 0.000 0.893 166 L HN 0.241 nan 8.230 nan 0.000 0.432 167 G N -0.432 108.330 108.800 -0.063 0.000 2.422 167 G HA2 -0.240 3.720 3.960 0.001 0.000 0.218 167 G HA3 -0.240 3.720 3.960 0.001 0.000 0.218 167 G C 1.606 176.504 174.900 -0.003 0.000 1.146 167 G CA 1.201 46.312 45.100 0.018 0.000 0.769 167 G HN 0.501 nan 8.290 nan 0.000 0.547 168 I N 0.179 120.723 120.570 -0.043 0.000 2.163 168 I HA -0.084 4.086 4.170 0.001 0.000 0.240 168 I C 2.719 178.817 176.117 -0.033 0.000 1.081 168 I CA 0.620 61.898 61.300 -0.037 0.000 1.353 168 I CB -0.285 37.681 38.000 -0.057 0.000 1.054 168 I HN 0.101 nan 8.210 nan 0.000 0.407 169 L N 0.702 121.901 121.223 -0.040 0.000 2.042 169 L HA -0.227 4.114 4.340 0.001 0.000 0.210 169 L C 2.896 179.751 176.870 -0.025 0.000 1.076 169 L CA 1.418 56.238 54.840 -0.032 0.000 0.749 169 L CB -0.777 41.261 42.059 -0.035 0.000 0.893 169 L HN 0.272 nan 8.230 nan 0.000 0.432 170 A N -0.116 122.693 122.820 -0.019 0.000 1.908 170 A HA -0.234 4.087 4.320 0.001 0.000 0.218 170 A C 2.129 179.693 177.584 -0.033 0.000 1.181 170 A CA 1.701 53.729 52.037 -0.015 0.000 0.627 170 A CB -0.467 18.538 19.000 0.009 0.000 0.818 170 A HN 0.464 nan 8.150 nan 0.000 0.445 171 E N 0.083 120.266 120.200 -0.030 0.000 2.204 171 E HA -0.108 4.242 4.350 0.001 0.000 0.195 171 E C 2.141 178.713 176.600 -0.048 0.000 0.990 171 E CA 1.116 57.489 56.400 -0.044 0.000 0.821 171 E CB -0.122 29.564 29.700 -0.023 0.000 0.750 171 E HN 0.649 nan 8.360 nan 0.000 0.477 172 S N 0.817 116.496 115.700 -0.036 0.000 2.402 172 S HA -0.049 4.422 4.470 0.001 0.000 0.229 172 S C 1.609 176.187 174.600 -0.037 0.000 1.021 172 S CA 0.547 58.728 58.200 -0.032 0.000 0.974 172 S CB 0.085 63.270 63.200 -0.025 0.000 0.800 172 S HN 0.182 nan 8.310 nan 0.000 0.484 173 L N 0.854 122.053 121.223 -0.041 0.000 2.599 173 L HA 0.188 4.529 4.340 0.001 0.000 0.230 173 L C 1.642 178.471 176.870 -0.068 0.000 1.141 173 L CA 1.030 55.844 54.840 -0.042 0.000 0.877 173 L CB -1.655 40.386 42.059 -0.031 0.000 1.009 173 L HN 0.540 nan 8.230 nan 0.000 0.447 174 G N -0.079 108.663 108.800 -0.097 0.000 2.140 174 G HA2 -0.273 3.687 3.960 0.001 0.000 0.211 174 G HA3 -0.273 3.687 3.960 0.001 0.000 0.211 174 G C 0.227 174.946 174.900 -0.303 0.000 1.013 174 G CA 0.141 45.144 45.100 -0.161 0.000 0.705 174 G HN 0.301 nan 8.290 nan 0.000 0.508 175 M N -0.806 118.636 119.600 -0.264 0.000 2.613 175 M HA 0.669 5.149 4.480 0.001 0.000 0.301 175 M C -0.321 175.757 176.300 -0.369 0.000 1.205 175 M CA -0.959 54.142 55.300 -0.332 0.000 0.950 175 M CB 1.129 33.663 32.600 -0.110 0.000 1.585 175 M HN 0.063 nan 8.290 nan 0.000 0.490 176 Y N 0.601 120.929 120.300 0.047 0.000 2.417 176 Y HA 0.481 5.031 4.550 0.001 0.000 0.336 176 Y C -0.197 175.702 175.900 -0.001 0.000 0.961 176 Y CA -1.058 57.041 58.100 -0.002 0.000 1.215 176 Y CB 0.823 39.346 38.460 0.106 0.000 1.120 176 Y HN 0.311 nan 8.280 nan 0.000 0.499 177 V N 5.638 125.567 119.914 0.026 0.000 2.465 177 V HA 0.537 4.657 4.120 0.001 0.000 0.279 177 V C -1.438 174.595 176.094 -0.102 0.000 1.045 177 V CA -0.480 61.864 62.300 0.073 0.000 0.938 177 V CB 0.397 32.295 31.823 0.124 0.000 0.986 177 V HN 0.620 nan 8.190 nan 0.000 0.467 178 Y N 6.390 126.800 120.300 0.182 0.000 2.570 178 Y HA 0.810 5.360 4.550 0.001 0.000 0.345 178 Y C -0.165 175.874 175.900 0.232 0.000 1.014 178 Y CA -0.753 57.419 58.100 0.120 0.000 1.063 178 Y CB 2.115 40.596 38.460 0.035 0.000 1.272 178 Y HN 0.829 nan 8.280 nan 0.000 0.477 179 F N -0.388 119.643 119.950 0.136 0.000 2.662 179 F HA 0.723 5.251 4.527 0.001 0.000 0.312 179 F C -2.249 173.633 175.800 0.138 0.000 1.113 179 F CA -1.774 56.291 58.000 0.110 0.000 0.951 179 F CB 1.694 40.682 39.000 -0.021 0.000 1.344 179 F HN 0.391 nan 8.300 nan 0.000 0.462 180 Y N 1.487 121.941 120.300 0.258 0.000 2.386 180 Y HA 0.579 5.130 4.550 0.001 0.000 0.334 180 Y C -1.908 174.144 175.900 0.253 0.000 1.002 180 Y CA -0.690 57.489 58.100 0.131 0.000 1.068 180 Y CB 1.334 39.845 38.460 0.084 0.000 1.203 180 Y HN 0.892 nan 8.280 nan 0.000 0.443 181 D N 4.602 124.766 120.400 -0.394 0.000 2.645 181 D HA 0.177 4.817 4.640 0.001 0.000 0.228 181 D C 0.079 176.094 176.300 -0.476 0.000 1.148 181 D CA -0.407 53.452 54.000 -0.234 0.000 0.860 181 D CB 2.543 43.395 40.800 0.088 0.000 1.548 181 D HN 0.697 nan 8.370 nan 0.000 0.460 182 I N 1.627 122.046 120.570 -0.252 0.000 2.830 182 I HA 0.006 4.176 4.170 0.001 0.000 0.263 182 I C 0.638 176.699 176.117 -0.093 0.000 1.230 182 I CA 1.108 62.312 61.300 -0.161 0.000 1.480 182 I CB 0.054 38.038 38.000 -0.025 0.000 1.095 182 I HN 0.345 nan 8.210 nan 0.000 0.455 183 E N 0.018 120.180 120.200 -0.064 0.000 2.256 183 E HA 0.217 4.568 4.350 0.001 0.000 0.267 183 E C -0.534 176.064 176.600 -0.003 0.000 0.892 183 E CA -0.769 55.619 56.400 -0.020 0.000 0.775 183 E CB 0.885 30.588 29.700 0.006 0.000 1.207 183 E HN 0.076 nan 8.360 nan 0.000 0.420 184 N N 3.291 121.992 118.700 0.003 0.000 2.475 184 N HA 0.054 4.795 4.740 0.001 0.000 0.267 184 N C -0.733 174.815 175.510 0.062 0.000 1.169 184 N CA 0.450 53.513 53.050 0.021 0.000 0.947 184 N CB 0.613 39.103 38.487 0.004 0.000 1.061 184 N HN 0.290 nan 8.380 nan 0.000 0.466 185 K N 1.752 122.231 120.400 0.132 0.000 2.306 185 K HA 0.374 4.694 4.320 0.001 0.000 0.236 185 K C -0.480 176.200 176.600 0.134 0.000 1.013 185 K CA -0.807 55.563 56.287 0.137 0.000 0.857 185 K CB 1.679 34.285 32.500 0.177 0.000 1.214 185 K HN 0.356 nan 8.250 nan 0.000 0.449 186 L N 3.835 125.114 121.223 0.093 0.000 2.259 186 L HA 0.348 4.689 4.340 0.001 0.000 0.288 186 L C -2.399 174.530 176.870 0.100 0.000 1.051 186 L CA -1.649 53.237 54.840 0.077 0.000 0.824 186 L CB 0.691 42.772 42.059 0.037 0.000 1.206 186 L HN 0.232 nan 8.230 nan 0.000 0.429 187 P HA 0.134 nan 4.420 nan 0.000 0.263 187 P C -0.515 176.844 177.300 0.099 0.000 1.195 187 P CA 0.129 63.296 63.100 0.113 0.000 0.762 187 P CB 0.544 32.333 31.700 0.148 0.000 0.799 188 L N 2.797 124.104 121.223 0.139 0.000 2.334 188 L HA 0.409 4.749 4.340 0.001 0.000 0.277 188 L C 1.618 178.524 176.870 0.060 0.000 1.075 188 L CA 0.130 55.015 54.840 0.074 0.000 0.804 188 L CB 0.636 42.716 42.059 0.035 0.000 1.174 188 L HN 0.713 nan 8.230 nan 0.000 0.438 189 G N 3.230 112.047 108.800 0.028 0.000 2.620 189 G HA2 -0.338 3.622 3.960 0.001 0.000 0.315 189 G HA3 -0.338 3.622 3.960 0.001 0.000 0.315 189 G C 0.485 175.397 174.900 0.020 0.000 1.179 189 G CA 0.390 45.502 45.100 0.019 0.000 0.971 189 G HN 0.716 nan 8.290 nan 0.000 0.544 190 N N 1.939 120.651 118.700 0.019 0.000 2.451 190 N HA 0.505 5.245 4.740 0.001 0.000 0.271 190 N C 0.430 175.928 175.510 -0.020 0.000 1.410 190 N CA 0.537 53.589 53.050 0.002 0.000 0.884 190 N CB 1.088 39.578 38.487 0.004 0.000 1.332 190 N HN 0.922 nan 8.380 nan 0.000 0.498 191 A N 0.541 123.379 122.820 0.030 0.000 2.407 191 A HA 0.472 4.792 4.320 0.001 0.000 0.248 191 A C 0.301 177.890 177.584 0.008 0.000 1.082 191 A CA 0.502 52.574 52.037 0.058 0.000 0.785 191 A CB 0.310 19.423 19.000 0.188 0.000 1.020 191 A HN 0.084 nan 8.150 nan 0.000 0.489 192 T N 2.474 116.951 114.554 -0.129 0.000 2.815 192 T HA 0.345 4.696 4.350 0.001 0.000 0.289 192 T C -0.188 174.265 174.700 -0.411 0.000 1.000 192 T CA -0.249 61.721 62.100 -0.217 0.000 0.958 192 T CB 1.017 69.735 68.868 -0.249 0.000 0.944 192 T HN 0.751 nan 8.240 nan 0.000 0.442 193 Q N 2.804 122.154 119.800 -0.750 0.000 2.311 193 Q HA 0.385 4.725 4.340 0.001 0.000 0.272 193 Q C -0.883 174.817 176.000 -0.500 0.000 1.012 193 Q CA -0.137 54.935 55.803 -1.217 0.000 0.891 193 Q CB 0.519 28.649 28.738 -1.015 0.000 1.201 193 Q HN 0.446 nan 8.270 nan 0.000 0.391 194 V N 4.784 124.476 119.914 -0.370 0.000 2.513 194 V HA 0.072 4.193 4.120 0.001 0.000 0.299 194 V C 0.764 176.810 176.094 -0.080 0.000 1.035 194 V CA -0.686 61.524 62.300 -0.150 0.000 0.889 194 V CB 1.678 33.464 31.823 -0.061 0.000 0.988 194 V HN 0.924 nan 8.190 nan 0.000 0.440 195 Q N 2.153 121.866 119.800 -0.145 0.000 1.967 195 Q HA -0.070 4.270 4.340 0.001 0.000 0.202 195 Q C 0.261 176.346 176.000 0.141 0.000 0.985 195 Q CA 1.679 57.412 55.803 -0.116 0.000 0.839 195 Q CB -0.046 28.459 28.738 -0.387 0.000 0.906 195 Q HN 0.845 nan 8.270 nan 0.000 0.423 196 H N -0.767 118.357 119.070 0.091 0.000 2.472 196 H HA 0.221 4.778 4.556 0.001 0.000 0.338 196 H C 1.082 176.327 175.328 -0.138 0.000 1.133 196 H CA -0.795 55.278 56.048 0.042 0.000 1.216 196 H CB 1.845 31.599 29.762 -0.013 0.000 1.497 196 H HN -0.025 nan 8.280 nan 0.000 0.500 197 L N 1.005 122.017 121.223 -0.351 0.000 2.013 197 L HA -0.273 4.067 4.340 0.001 0.000 0.212 197 L C 1.890 178.624 176.870 -0.227 0.000 1.073 197 L CA 1.565 56.055 54.840 -0.582 0.000 0.753 197 L CB -0.340 41.334 42.059 -0.642 0.000 0.890 197 L HN 0.699 nan 8.230 nan 0.000 0.432 198 S N -0.123 115.506 115.700 -0.118 0.000 2.372 198 S HA -0.245 4.226 4.470 0.001 0.000 0.227 198 S C 1.436 176.002 174.600 -0.058 0.000 1.044 198 S CA 1.763 59.925 58.200 -0.062 0.000 1.050 198 S CB -0.571 62.619 63.200 -0.017 0.000 0.901 198 S HN 0.512 nan 8.310 nan 0.000 0.447 199 D N 1.343 121.715 120.400 -0.046 0.000 2.104 199 D HA -0.068 4.572 4.640 0.001 0.000 0.194 199 D C 1.941 178.169 176.300 -0.120 0.000 0.994 199 D CA 0.666 54.615 54.000 -0.085 0.000 0.830 199 D CB -0.623 40.108 40.800 -0.116 0.000 0.959 199 D HN 0.228 nan 8.370 nan 0.000 0.452 200 L N 0.463 121.620 121.223 -0.110 0.000 1.955 200 L HA -0.194 4.147 4.340 0.001 0.000 0.213 200 L C 2.235 179.048 176.870 -0.094 0.000 1.072 200 L CA 1.338 56.119 54.840 -0.098 0.000 0.755 200 L CB -0.693 41.337 42.059 -0.048 0.000 0.888 200 L HN -0.054 nan 8.230 nan 0.000 0.432 201 L N -0.091 121.081 121.223 -0.084 0.000 2.051 201 L HA -0.319 4.022 4.340 0.001 0.000 0.214 201 L C 2.270 179.104 176.870 -0.061 0.000 1.076 201 L CA 2.066 56.869 54.840 -0.062 0.000 0.758 201 L CB -1.417 40.606 42.059 -0.059 0.000 0.890 201 L HN 0.446 nan 8.230 nan 0.000 0.433 202 N N -0.914 117.744 118.700 -0.070 0.000 2.223 202 N HA -0.159 4.582 4.740 0.001 0.000 0.185 202 N C 1.552 177.007 175.510 -0.091 0.000 1.016 202 N CA 1.337 54.346 53.050 -0.067 0.000 0.863 202 N CB -0.066 38.382 38.487 -0.065 0.000 0.983 202 N HN 0.490 nan 8.380 nan 0.000 0.429 203 M N -1.907 117.615 119.600 -0.130 0.000 2.313 203 M HA 0.332 4.812 4.480 0.001 0.000 0.273 203 M C -0.515 175.696 176.300 -0.147 0.000 1.049 203 M CA -0.012 55.190 55.300 -0.164 0.000 1.004 203 M CB 0.855 33.301 32.600 -0.258 0.000 1.461 203 M HN -0.254 nan 8.290 nan 0.000 0.514 204 S N 2.198 117.836 115.700 -0.104 0.000 2.457 204 S HA 0.225 4.696 4.470 0.001 0.000 0.289 204 S C 0.287 174.860 174.600 -0.046 0.000 1.163 204 S CA -0.712 57.457 58.200 -0.051 0.000 1.078 204 S CB 1.389 64.581 63.200 -0.013 0.000 0.987 204 S HN 0.290 nan 8.310 nan 0.000 0.482 205 D N 1.314 121.696 120.400 -0.031 0.000 2.123 205 D HA -0.038 4.603 4.640 0.001 0.000 0.200 205 D C 0.743 177.023 176.300 -0.032 0.000 0.976 205 D CA 1.182 55.150 54.000 -0.053 0.000 0.831 205 D CB 0.266 41.032 40.800 -0.057 0.000 0.974 205 D HN 0.401 nan 8.370 nan 0.000 0.469 206 V N 0.649 120.565 119.914 0.004 0.000 2.577 206 V HA 0.432 4.552 4.120 0.001 0.000 0.303 206 V C -0.949 175.165 176.094 0.033 0.000 1.042 206 V CA -0.617 61.691 62.300 0.013 0.000 0.872 206 V CB 2.190 34.028 31.823 0.025 0.000 0.998 206 V HN -0.234 nan 8.190 nan 0.000 0.423 207 V N 5.500 125.425 119.914 0.018 0.000 2.483 207 V HA 0.706 4.827 4.120 0.001 0.000 0.295 207 V C 0.196 176.299 176.094 0.015 0.000 1.035 207 V CA -0.057 62.261 62.300 0.030 0.000 0.896 207 V CB 1.877 33.706 31.823 0.009 0.000 0.986 207 V HN 1.032 nan 8.190 nan 0.000 0.447 208 S N 4.796 120.516 115.700 0.032 0.000 2.532 208 S HA 0.743 5.214 4.470 0.001 0.000 0.299 208 S C -1.037 173.473 174.600 -0.149 0.000 1.105 208 S CA -0.572 57.601 58.200 -0.046 0.000 1.018 208 S CB 0.951 64.204 63.200 0.088 0.000 1.021 208 S HN 0.548 nan 8.310 nan 0.000 0.483 209 L N 5.544 126.568 121.223 -0.331 0.000 2.272 209 L HA 0.553 4.893 4.340 0.001 0.000 0.289 209 L C -0.229 176.290 176.870 -0.586 0.000 1.032 209 L CA -0.542 54.123 54.840 -0.292 0.000 0.810 209 L CB 0.982 42.949 42.059 -0.154 0.000 1.205 209 L HN 0.696 nan 8.230 nan 0.000 0.422 210 H N 3.481 122.581 119.070 0.051 0.000 2.535 210 H HA 0.334 4.890 4.556 0.001 0.000 0.232 210 H C -0.747 174.614 175.328 0.056 0.000 1.405 210 H CA -0.073 55.997 56.048 0.037 0.000 1.224 210 H CB 1.147 30.921 29.762 0.020 0.000 1.763 210 H HN 0.239 nan 8.280 nan 0.000 0.529 211 V N 3.227 123.198 119.914 0.095 0.000 2.732 211 V HA 0.346 4.466 4.120 0.001 0.000 0.310 211 V C -1.716 174.428 176.094 0.084 0.000 1.053 211 V CA -1.603 60.755 62.300 0.097 0.000 0.957 211 V CB 2.738 34.611 31.823 0.083 0.000 1.018 211 V HN 0.372 nan 8.190 nan 0.000 0.452 212 P HA 0.275 nan 4.420 nan 0.000 0.278 212 P C -0.988 176.350 177.300 0.064 0.000 1.258 212 P CA -0.577 62.572 63.100 0.082 0.000 0.811 212 P CB 1.092 32.848 31.700 0.094 0.000 1.063 213 E N 1.353 121.588 120.200 0.057 0.000 2.194 213 E HA 0.218 4.569 4.350 0.001 0.000 0.284 213 E C -0.249 176.379 176.600 0.046 0.000 1.035 213 E CA -0.397 56.032 56.400 0.048 0.000 0.836 213 E CB 0.147 29.874 29.700 0.046 0.000 1.070 213 E HN 0.554 nan 8.360 nan 0.000 0.401 214 N N 3.031 121.757 118.700 0.044 0.000 3.355 214 N HA 0.132 4.872 4.740 0.001 0.000 0.238 214 N C -2.473 173.060 175.510 0.038 0.000 1.466 214 N CA -1.134 51.940 53.050 0.040 0.000 0.882 214 N CB 1.310 39.823 38.487 0.043 0.000 1.406 214 N HN 0.089 nan 8.380 nan 0.000 0.500 215 P HA -0.233 nan 4.420 nan 0.000 0.216 215 P C 1.459 178.779 177.300 0.034 0.000 1.157 215 P CA 2.306 65.425 63.100 0.031 0.000 0.880 215 P CB -0.155 31.562 31.700 0.028 0.000 0.791 216 S N -0.926 114.798 115.700 0.040 0.000 2.474 216 S HA -0.077 4.394 4.470 0.001 0.000 0.235 216 S C 1.721 176.351 174.600 0.051 0.000 0.997 216 S CA 1.560 59.787 58.200 0.045 0.000 0.949 216 S CB -1.664 61.568 63.200 0.052 0.000 0.766 216 S HN 0.404 nan 8.310 nan 0.000 0.517 217 T N -2.038 112.545 114.554 0.049 0.000 3.040 217 T HA 0.294 4.645 4.350 0.001 0.000 0.250 217 T C 0.374 175.095 174.700 0.036 0.000 1.058 217 T CA -0.397 61.732 62.100 0.049 0.000 0.988 217 T CB -0.289 68.611 68.868 0.054 0.000 0.993 217 T HN 0.267 nan 8.240 nan 0.000 0.519 218 K N 2.895 123.315 120.400 0.033 0.000 2.430 218 K HA 0.067 4.388 4.320 0.001 0.000 0.280 218 K C 0.036 176.650 176.600 0.023 0.000 1.063 218 K CA 0.244 56.548 56.287 0.028 0.000 1.071 218 K CB -0.617 31.899 32.500 0.027 0.000 0.899 218 K HN 0.129 nan 8.250 nan 0.000 0.473 219 N N 3.368 122.080 118.700 0.020 0.000 2.710 219 N HA -0.274 4.467 4.740 0.001 0.000 0.249 219 N C 0.513 176.030 175.510 0.011 0.000 1.059 219 N CA 1.266 54.324 53.050 0.014 0.000 0.720 219 N CB -1.215 37.280 38.487 0.014 0.000 0.983 219 N HN 0.828 nan 8.380 nan 0.000 0.544 220 M N -0.845 118.763 119.600 0.015 0.000 2.073 220 M HA -0.121 4.359 4.480 0.001 0.000 0.258 220 M C 0.409 176.710 176.300 0.002 0.000 1.070 220 M CA 1.594 56.904 55.300 0.016 0.000 1.103 220 M CB 0.064 32.681 32.600 0.029 0.000 1.321 220 M HN 0.132 nan 8.290 nan 0.000 0.405 221 M N 1.528 121.126 119.600 -0.003 0.000 2.151 221 M HA 0.250 4.730 4.480 0.001 0.000 0.349 221 M C 0.194 176.488 176.300 -0.010 0.000 1.284 221 M CA -0.023 55.270 55.300 -0.011 0.000 1.173 221 M CB -0.144 32.447 32.600 -0.016 0.000 1.469 221 M HN 0.255 nan 8.290 nan 0.000 0.439 222 G N 1.376 110.169 108.800 -0.012 0.000 3.209 222 G HA2 0.643 4.603 3.960 0.001 0.000 0.236 222 G HA3 0.643 4.603 3.960 0.001 0.000 0.236 222 G C 0.690 175.579 174.900 -0.018 0.000 1.329 222 G CA 0.051 45.144 45.100 -0.011 0.000 1.015 222 G HN 0.608 nan 8.290 nan 0.000 0.571 223 A N -0.312 122.496 122.820 -0.021 0.000 1.903 223 A HA -0.134 4.186 4.320 0.001 0.000 0.219 223 A C 2.221 179.778 177.584 -0.045 0.000 1.191 223 A CA 2.770 54.787 52.037 -0.034 0.000 0.638 223 A CB -0.624 18.358 19.000 -0.031 0.000 0.823 223 A HN 0.573 nan 8.150 nan 0.000 0.451 224 K N -0.273 120.104 120.400 -0.038 0.000 1.978 224 K HA -0.181 4.140 4.320 0.001 0.000 0.214 224 K C 1.863 178.440 176.600 -0.039 0.000 1.049 224 K CA 2.080 58.343 56.287 -0.041 0.000 0.939 224 K CB -0.391 32.089 32.500 -0.034 0.000 0.721 224 K HN 0.411 nan 8.250 nan 0.000 0.441 225 E N 0.502 120.682 120.200 -0.033 0.000 2.070 225 E HA -0.177 4.174 4.350 0.001 0.000 0.197 225 E C 2.010 178.602 176.600 -0.012 0.000 1.004 225 E CA 1.792 58.173 56.400 -0.031 0.000 0.805 225 E CB -0.297 29.383 29.700 -0.034 0.000 0.744 225 E HN 0.390 nan 8.360 nan 0.000 0.451 226 I N 0.807 121.373 120.570 -0.005 0.000 2.226 226 I HA -0.280 3.891 4.170 0.001 0.000 0.245 226 I C 2.268 178.418 176.117 0.055 0.000 1.100 226 I CA 1.499 62.820 61.300 0.034 0.000 1.374 226 I CB -0.629 37.384 38.000 0.022 0.000 1.057 226 I HN 0.147 nan 8.210 nan 0.000 0.413 227 S N 0.927 116.586 115.700 -0.069 0.000 2.500 227 S HA -0.104 4.367 4.470 0.001 0.000 0.239 227 S C 1.744 176.325 174.600 -0.032 0.000 0.989 227 S CA 0.789 58.874 58.200 -0.192 0.000 0.951 227 S CB -0.365 62.727 63.200 -0.180 0.000 0.759 227 S HN 0.289 nan 8.310 nan 0.000 0.523 228 L N 0.585 121.824 121.223 0.025 0.000 2.375 228 L HA 0.405 4.745 4.340 0.001 0.000 0.215 228 L C 1.145 178.056 176.870 0.068 0.000 1.108 228 L CA 0.629 55.486 54.840 0.029 0.000 0.830 228 L CB -0.664 41.388 42.059 -0.012 0.000 0.959 228 L HN 0.357 nan 8.230 nan 0.000 0.457 229 M N 1.269 120.945 119.600 0.127 0.000 2.248 229 M HA 0.048 4.528 4.480 0.001 0.000 0.345 229 M C 0.543 176.853 176.300 0.015 0.000 1.243 229 M CA 0.249 55.585 55.300 0.060 0.000 1.090 229 M CB 0.279 32.901 32.600 0.038 0.000 1.683 229 M HN 0.097 nan 8.290 nan 0.000 0.450 230 K N 3.022 123.384 120.400 -0.064 0.000 2.485 230 K HA 0.209 4.529 4.320 0.001 0.000 0.277 230 K C -2.701 173.760 176.600 -0.231 0.000 0.990 230 K CA -1.306 54.924 56.287 -0.096 0.000 0.994 230 K CB -0.536 31.907 32.500 -0.094 0.000 0.906 230 K HN 0.222 nan 8.250 nan 0.000 0.488 231 P HA -0.020 nan 4.420 nan 0.000 0.264 231 P C 0.466 177.642 177.300 -0.206 0.000 1.193 231 P CA 1.020 63.956 63.100 -0.274 0.000 0.763 231 P CB 0.664 32.321 31.700 -0.071 0.000 0.810 232 G N 1.634 110.303 108.800 -0.218 0.000 2.141 232 G HA2 -0.216 3.744 3.960 0.001 0.000 0.242 232 G HA3 -0.216 3.744 3.960 0.001 0.000 0.242 232 G C 0.351 175.183 174.900 -0.113 0.000 0.982 232 G CA 0.220 45.253 45.100 -0.111 0.000 0.662 232 G HN 0.745 nan 8.290 nan 0.000 0.527 233 S N -0.742 114.857 115.700 -0.167 0.000 2.655 233 S HA 0.839 5.310 4.470 0.001 0.000 0.265 233 S C 0.179 174.732 174.600 -0.078 0.000 1.240 233 S CA -0.689 57.441 58.200 -0.118 0.000 0.986 233 S CB 1.947 65.071 63.200 -0.127 0.000 0.985 233 S HN 0.708 nan 8.310 nan 0.000 0.562 234 L N 0.460 121.654 121.223 -0.047 0.000 2.354 234 L HA 0.682 5.023 4.340 0.001 0.000 0.269 234 L C -0.995 175.858 176.870 -0.028 0.000 1.005 234 L CA -0.949 53.874 54.840 -0.029 0.000 0.819 234 L CB 1.734 43.789 42.059 -0.006 0.000 1.311 234 L HN 0.624 nan 8.230 nan 0.000 0.423 235 L N 3.165 124.369 121.223 -0.031 0.000 2.381 235 L HA 0.631 4.972 4.340 0.001 0.000 0.274 235 L C -1.154 175.690 176.870 -0.042 0.000 0.988 235 L CA 0.017 54.837 54.840 -0.035 0.000 0.824 235 L CB 1.649 43.684 42.059 -0.039 0.000 1.263 235 L HN 0.418 nan 8.230 nan 0.000 0.410 236 I N 4.961 125.501 120.570 -0.049 0.000 2.439 236 I HA 0.339 4.509 4.170 0.001 0.000 0.283 236 I C -0.656 175.391 176.117 -0.116 0.000 1.023 236 I CA -0.391 60.871 61.300 -0.065 0.000 1.100 236 I CB 1.576 39.556 38.000 -0.032 0.000 1.238 236 I HN 0.632 nan 8.210 nan 0.000 0.445 237 N N 5.672 124.290 118.700 -0.137 0.000 2.558 237 N HA 0.512 5.252 4.740 0.001 0.000 0.242 237 N C -0.177 175.207 175.510 -0.210 0.000 0.979 237 N CA -0.112 52.830 53.050 -0.180 0.000 0.931 237 N CB 1.356 39.745 38.487 -0.163 0.000 1.122 237 N HN 0.760 nan 8.380 nan 0.000 0.508 238 A N 2.511 125.210 122.820 -0.202 0.000 2.631 238 A HA 0.203 4.523 4.320 0.001 0.000 0.294 238 A C 0.886 178.391 177.584 -0.132 0.000 1.156 238 A CA -0.295 51.641 52.037 -0.168 0.000 0.963 238 A CB -0.090 18.868 19.000 -0.070 0.000 1.202 238 A HN 0.647 nan 8.150 nan 0.000 0.523 239 S N -0.173 115.439 115.700 -0.146 0.000 2.885 239 S HA 0.465 4.935 4.470 0.001 0.000 0.172 239 S C 0.480 175.036 174.600 -0.072 0.000 0.703 239 S CA -0.189 57.970 58.200 -0.069 0.000 0.820 239 S CB 0.147 63.313 63.200 -0.057 0.000 0.766 239 S HN 0.276 nan 8.310 nan 0.000 0.605 240 R N 0.838 121.302 120.500 -0.060 0.000 2.621 240 R HA 0.533 4.874 4.340 0.001 0.000 0.292 240 R C 0.703 176.974 176.300 -0.048 0.000 0.969 240 R CA -0.203 55.880 56.100 -0.028 0.000 0.887 240 R CB 0.969 31.279 30.300 0.016 0.000 1.180 240 R HN 0.608 nan 8.270 nan 0.000 0.450 241 G N 0.417 109.199 108.800 -0.030 0.000 2.740 241 G HA2 -0.172 3.789 3.960 0.001 0.000 0.208 241 G HA3 -0.172 3.789 3.960 0.001 0.000 0.208 241 G C 0.725 175.637 174.900 0.020 0.000 1.148 241 G CA 0.923 46.011 45.100 -0.020 0.000 0.795 241 G HN 0.634 nan 8.290 nan 0.000 0.526 242 T N -3.269 111.296 114.554 0.019 0.000 3.044 242 T HA 0.191 4.542 4.350 0.001 0.000 0.260 242 T C 1.834 176.544 174.700 0.017 0.000 1.019 242 T CA 0.293 62.410 62.100 0.028 0.000 0.921 242 T CB 0.690 69.580 68.868 0.037 0.000 1.053 242 T HN -0.033 nan 8.240 nan 0.000 0.533 243 V N 0.976 120.891 119.914 0.002 0.000 2.951 243 V HA 0.190 4.311 4.120 0.001 0.000 0.255 243 V C 0.923 177.013 176.094 -0.007 0.000 1.088 243 V CA 0.326 62.625 62.300 -0.001 0.000 1.109 243 V CB -0.088 31.728 31.823 -0.012 0.000 0.724 243 V HN 0.392 nan 8.190 nan 0.000 0.471 244 V N 0.884 120.790 119.914 -0.013 0.000 2.459 244 V HA 0.368 4.488 4.120 0.001 0.000 0.295 244 V C -0.484 175.613 176.094 0.005 0.000 1.029 244 V CA -0.738 61.554 62.300 -0.012 0.000 0.874 244 V CB 1.852 33.657 31.823 -0.031 0.000 0.985 244 V HN 0.237 nan 8.190 nan 0.000 0.438 245 D N 4.441 124.844 120.400 0.005 0.000 2.402 245 D HA 0.147 4.787 4.640 0.001 0.000 0.235 245 D C 1.181 177.491 176.300 0.016 0.000 1.226 245 D CA -0.224 53.784 54.000 0.013 0.000 0.918 245 D CB 0.686 41.490 40.800 0.006 0.000 1.043 245 D HN 0.278 nan 8.370 nan 0.000 0.506 246 I N 5.602 126.193 120.570 0.034 0.000 2.091 246 I HA -0.223 3.948 4.170 0.001 0.000 0.239 246 I C -0.612 175.525 176.117 0.034 0.000 1.061 246 I CA 1.161 62.489 61.300 0.046 0.000 1.317 246 I CB -2.209 35.843 38.000 0.087 0.000 1.031 246 I HN 0.391 nan 8.210 nan 0.000 0.401 247 P HA -0.162 nan 4.420 nan 0.000 0.215 247 P C 1.721 179.033 177.300 0.020 0.000 1.157 247 P CA 2.310 65.430 63.100 0.033 0.000 0.874 247 P CB -0.052 31.665 31.700 0.028 0.000 0.790 248 A N -0.942 121.884 122.820 0.009 0.000 1.933 248 A HA -0.186 4.134 4.320 0.001 0.000 0.218 248 A C 2.118 179.695 177.584 -0.013 0.000 1.175 248 A CA 1.479 53.514 52.037 -0.003 0.000 0.628 248 A CB -1.635 17.360 19.000 -0.008 0.000 0.814 248 A HN 0.174 nan 8.150 nan 0.000 0.444 249 L N -0.617 120.595 121.223 -0.018 0.000 2.141 249 L HA -0.105 4.235 4.340 0.001 0.000 0.209 249 L C 2.328 179.135 176.870 -0.105 0.000 1.094 249 L CA 1.848 56.658 54.840 -0.050 0.000 0.763 249 L CB -0.721 41.311 42.059 -0.046 0.000 0.908 249 L HN 0.443 nan 8.230 nan 0.000 0.437 250 C N -0.227 119.032 119.300 -0.067 0.000 2.440 250 C HA -0.083 4.377 4.460 0.001 0.000 0.278 250 C C 2.271 177.265 174.990 0.007 0.000 1.295 250 C CA 0.635 59.610 59.018 -0.072 0.000 1.738 250 C CB -0.965 26.840 27.740 0.109 0.000 1.987 250 C HN 0.565 nan 8.230 nan 0.000 0.492 251 D N 1.111 121.526 120.400 0.025 0.000 2.144 251 D HA -0.046 4.594 4.640 0.001 0.000 0.200 251 D C 2.274 178.592 176.300 0.031 0.000 0.978 251 D CA 1.558 55.585 54.000 0.044 0.000 0.833 251 D CB -0.473 40.341 40.800 0.023 0.000 0.961 251 D HN 0.483 nan 8.370 nan 0.000 0.470 252 A N 0.504 123.326 122.820 0.003 0.000 1.898 252 A HA -0.087 4.233 4.320 0.001 0.000 0.216 252 A C 2.340 179.946 177.584 0.036 0.000 1.181 252 A CA 0.794 52.859 52.037 0.045 0.000 0.620 252 A CB -0.743 18.302 19.000 0.075 0.000 0.819 252 A HN 0.177 nan 8.150 nan 0.000 0.442 253 L N -0.679 120.492 121.223 -0.087 0.000 1.994 253 L HA -0.216 4.124 4.340 0.001 0.000 0.208 253 L C 3.141 180.062 176.870 0.086 0.000 1.071 253 L CA 1.235 55.972 54.840 -0.172 0.000 0.745 253 L CB -0.571 41.030 42.059 -0.764 0.000 0.892 253 L HN 0.430 nan 8.230 nan 0.000 0.431 254 A N -0.183 122.768 122.820 0.217 0.000 1.940 254 A HA -0.219 4.102 4.320 0.001 0.000 0.219 254 A C 2.269 179.960 177.584 0.178 0.000 1.176 254 A CA 2.098 54.339 52.037 0.339 0.000 0.631 254 A CB -0.672 18.507 19.000 0.298 0.000 0.814 254 A HN 0.537 nan 8.150 nan 0.000 0.446 255 S N -1.730 114.044 115.700 0.123 0.000 2.660 255 S HA 0.191 4.661 4.470 0.001 0.000 0.227 255 S C 0.504 175.166 174.600 0.105 0.000 0.948 255 S CA 0.398 58.656 58.200 0.097 0.000 0.948 255 S CB -0.025 63.217 63.200 0.070 0.000 0.779 255 S HN 0.423 nan 8.310 nan 0.000 0.487 256 K N 0.009 120.474 120.400 0.108 0.000 3.193 256 K HA -0.292 4.028 4.320 0.001 0.000 0.294 256 K C 0.520 177.174 176.600 0.091 0.000 1.185 256 K CA 1.334 57.674 56.287 0.090 0.000 0.866 256 K CB -2.477 30.070 32.500 0.077 0.000 1.227 256 K HN 0.755 nan 8.250 nan 0.000 0.467 257 H N 0.065 119.142 119.070 0.011 0.000 2.389 257 H HA 0.130 4.686 4.556 0.001 0.000 0.299 257 H C 0.717 176.041 175.328 -0.007 0.000 1.081 257 H CA 1.567 57.614 56.048 -0.001 0.000 1.345 257 H CB 0.275 30.032 29.762 -0.010 0.000 1.393 257 H HN 0.241 nan 8.280 nan 0.000 0.520 258 L N -0.177 121.032 121.223 -0.024 0.000 2.325 258 L HA 0.415 4.756 4.340 0.001 0.000 0.278 258 L C 1.139 177.987 176.870 -0.036 0.000 1.023 258 L CA -0.286 54.505 54.840 -0.083 0.000 0.811 258 L CB 1.883 43.914 42.059 -0.048 0.000 1.249 258 L HN 0.130 nan 8.230 nan 0.000 0.431 259 A N 2.109 124.911 122.820 -0.030 0.000 2.067 259 A HA 0.491 4.811 4.320 0.001 0.000 0.217 259 A C 0.869 178.463 177.584 0.017 0.000 1.156 259 A CA 1.010 53.054 52.037 0.012 0.000 0.683 259 A CB -0.083 18.938 19.000 0.036 0.000 0.808 259 A HN 0.910 nan 8.150 nan 0.000 0.455 260 G N -3.297 105.498 108.800 -0.009 0.000 2.315 260 G HA2 0.643 4.603 3.960 0.001 0.000 0.294 260 G HA3 0.643 4.603 3.960 0.001 0.000 0.294 260 G C -1.127 173.756 174.900 -0.030 0.000 1.300 260 G CA 0.045 45.139 45.100 -0.010 0.000 0.843 260 G HN 1.402 nan 8.290 nan 0.000 0.527 261 A N -1.605 121.201 122.820 -0.024 0.000 2.586 261 A HA 1.055 5.376 4.320 0.001 0.000 0.290 261 A C -0.848 176.728 177.584 -0.012 0.000 1.086 261 A CA 0.300 52.319 52.037 -0.030 0.000 0.665 261 A CB 1.082 20.048 19.000 -0.057 0.000 1.279 261 A HN 2.570 nan 8.150 nan 0.000 0.423 262 A N 0.841 123.646 122.820 -0.025 0.000 2.353 262 A HA 0.698 5.018 4.320 0.001 0.000 0.299 262 A C -1.196 176.348 177.584 -0.068 0.000 1.089 262 A CA -0.305 51.718 52.037 -0.024 0.000 0.736 262 A CB 0.649 19.637 19.000 -0.021 0.000 1.195 262 A HN 0.790 nan 8.150 nan 0.000 0.447 263 I N 2.546 123.070 120.570 -0.078 0.000 2.447 263 I HA 0.308 4.478 4.170 0.001 0.000 0.287 263 I C 0.112 176.020 176.117 -0.348 0.000 1.023 263 I CA -0.134 61.028 61.300 -0.229 0.000 1.083 263 I CB 1.631 39.506 38.000 -0.209 0.000 1.245 263 I HN 0.898 nan 8.210 nan 0.000 0.434 264 D N 4.490 124.633 120.400 -0.430 0.000 2.454 264 D HA 0.107 4.748 4.640 0.001 0.000 0.214 264 D C -0.041 175.913 176.300 -0.577 0.000 1.088 264 D CA 0.493 54.262 54.000 -0.384 0.000 0.855 264 D CB 0.942 41.592 40.800 -0.251 0.000 1.025 264 D HN 0.294 nan 8.370 nan 0.000 0.502 265 V N -0.906 118.559 119.914 -0.749 0.000 2.638 265 V HA 0.671 4.792 4.120 0.001 0.000 0.306 265 V C -0.793 174.904 176.094 -0.661 0.000 1.052 265 V CA -0.983 60.959 62.300 -0.596 0.000 0.885 265 V CB 0.988 32.543 31.823 -0.446 0.000 0.999 265 V HN -0.119 nan 8.190 nan 0.000 0.424 266 F N 2.839 122.828 119.950 0.065 0.000 2.594 266 F HA 0.696 5.223 4.527 0.001 0.000 0.335 266 F C -1.527 174.331 175.800 0.097 0.000 1.058 266 F CA -2.323 55.739 58.000 0.104 0.000 0.981 266 F CB 1.397 40.514 39.000 0.194 0.000 1.289 266 F HN 0.286 nan 8.300 nan 0.000 0.490 267 P HA -0.068 nan 4.420 nan 0.000 0.215 267 P C -0.203 177.195 177.300 0.164 0.000 1.157 267 P CA 1.630 64.831 63.100 0.168 0.000 0.868 267 P CB 0.013 31.794 31.700 0.136 0.000 0.788 268 T N -2.536 112.130 114.554 0.187 0.000 2.840 268 T HA 0.507 4.857 4.350 0.001 0.000 0.287 268 T C -0.730 174.083 174.700 0.187 0.000 0.991 268 T CA -0.862 61.326 62.100 0.147 0.000 0.964 268 T CB 1.751 70.672 68.868 0.089 0.000 0.954 268 T HN -0.093 nan 8.240 nan 0.000 0.438 269 E N 2.885 123.197 120.200 0.187 0.000 2.195 269 E HA 0.478 4.828 4.350 0.001 0.000 0.271 269 E C -2.468 174.212 176.600 0.134 0.000 0.923 269 E CA -2.248 54.276 56.400 0.206 0.000 0.790 269 E CB 1.199 31.051 29.700 0.254 0.000 1.155 269 E HN 0.481 nan 8.360 nan 0.000 0.402 270 P HA -0.056 nan 4.420 nan 0.000 0.264 270 P C -0.118 177.222 177.300 0.066 0.000 1.183 270 P CA 0.211 63.363 63.100 0.087 0.000 0.763 270 P CB 0.644 32.399 31.700 0.092 0.000 0.807 271 A N 1.722 124.572 122.820 0.050 0.000 2.206 271 A HA 0.138 4.458 4.320 0.001 0.000 0.211 271 A C 0.970 178.574 177.584 0.034 0.000 1.158 271 A CA 1.319 53.382 52.037 0.042 0.000 0.761 271 A CB -0.189 18.834 19.000 0.038 0.000 0.801 271 A HN 0.588 nan 8.150 nan 0.000 0.473 272 T N -2.625 111.948 114.554 0.032 0.000 2.830 272 T HA 0.215 4.565 4.350 0.001 0.000 0.322 272 T C 0.128 174.844 174.700 0.026 0.000 1.501 272 T CA -0.426 61.688 62.100 0.024 0.000 1.036 272 T CB 0.603 69.483 68.868 0.019 0.000 1.379 272 T HN 0.293 nan 8.240 nan 0.000 0.493 273 N N 0.736 119.448 118.700 0.020 0.000 2.513 273 N HA -0.074 4.667 4.740 0.001 0.000 0.187 273 N C 1.155 176.678 175.510 0.022 0.000 1.056 273 N CA 0.705 53.767 53.050 0.020 0.000 0.907 273 N CB 0.086 38.581 38.487 0.014 0.000 0.954 273 N HN 0.319 nan 8.380 nan 0.000 0.445 274 S N -0.072 115.640 115.700 0.020 0.000 2.593 274 S HA 0.058 4.528 4.470 0.001 0.000 0.217 274 S C -0.184 174.429 174.600 0.022 0.000 0.966 274 S CA 0.284 58.495 58.200 0.018 0.000 0.914 274 S CB 0.255 63.463 63.200 0.013 0.000 0.776 274 S HN 0.227 nan 8.310 nan 0.000 0.523 275 D N 3.049 123.467 120.400 0.030 0.000 2.192 275 D HA 0.296 4.936 4.640 0.001 0.000 0.246 275 D C -2.425 173.905 176.300 0.050 0.000 1.042 275 D CA -1.631 52.389 54.000 0.034 0.000 0.847 275 D CB 1.370 42.191 40.800 0.035 0.000 1.186 275 D HN 0.070 nan 8.370 nan 0.000 0.461 276 P HA 0.091 nan 4.420 nan 0.000 0.271 276 P C -0.553 176.793 177.300 0.076 0.000 1.220 276 P CA -0.336 62.794 63.100 0.051 0.000 0.768 276 P CB 0.448 32.155 31.700 0.012 0.000 0.848 277 F N 3.220 123.133 119.950 -0.062 0.000 2.375 277 F HA 0.502 5.029 4.527 0.001 0.000 0.333 277 F C -0.364 175.370 175.800 -0.109 0.000 1.104 277 F CA 0.221 58.154 58.000 -0.112 0.000 1.149 277 F CB 1.178 40.096 39.000 -0.137 0.000 1.190 277 F HN 0.238 nan 8.300 nan 0.000 0.533 278 T N 4.028 117.995 114.554 -0.978 0.000 3.172 278 T HA 0.499 4.849 4.350 0.001 0.000 0.320 278 T C -1.521 172.655 174.700 -0.874 0.000 1.085 278 T CA -0.757 60.895 62.100 -0.747 0.000 1.052 278 T CB 1.190 69.858 68.868 -0.333 0.000 1.107 278 T HN 0.715 nan 8.240 nan 0.000 0.458 279 S N 2.699 117.978 115.700 -0.701 0.000 2.556 279 S HA 0.501 4.972 4.470 0.001 0.000 0.280 279 S C -2.380 172.131 174.600 -0.149 0.000 1.141 279 S CA -1.018 56.941 58.200 -0.401 0.000 0.883 279 S CB 1.588 64.519 63.200 -0.449 0.000 1.103 279 S HN 0.321 nan 8.310 nan 0.000 0.453 280 P HA -0.029 nan 4.420 nan 0.000 0.219 280 P C 1.321 178.751 177.300 0.217 0.000 1.146 280 P CA 0.547 63.695 63.100 0.081 0.000 0.808 280 P CB 0.120 31.885 31.700 0.109 0.000 0.779 281 L N -1.441 119.916 121.223 0.223 0.000 2.450 281 L HA -0.139 4.202 4.340 0.001 0.000 0.224 281 L C 1.925 179.005 176.870 0.350 0.000 1.149 281 L CA 1.228 56.270 54.840 0.338 0.000 0.816 281 L CB -1.883 40.352 42.059 0.294 0.000 0.932 281 L HN 0.114 nan 8.230 nan 0.000 0.449 282 C N -0.666 118.748 119.300 0.190 0.000 2.456 282 C HA -0.079 4.381 4.460 0.001 0.000 0.279 282 C C 2.428 177.461 174.990 0.073 0.000 1.427 282 C CA 0.029 59.124 59.018 0.128 0.000 1.778 282 C CB -0.622 27.135 27.740 0.027 0.000 1.842 282 C HN 0.518 nan 8.230 nan 0.000 0.531 283 E N -0.338 119.870 120.200 0.014 0.000 2.358 283 E HA -0.017 4.334 4.350 0.001 0.000 0.195 283 E C -0.344 176.044 176.600 -0.354 0.000 1.010 283 E CA 0.585 56.840 56.400 -0.242 0.000 0.856 283 E CB 0.109 29.508 29.700 -0.502 0.000 0.795 283 E HN 0.621 nan 8.360 nan 0.000 0.504 284 F N 0.614 120.588 119.950 0.040 0.000 2.415 284 F HA 0.151 4.679 4.527 0.001 0.000 0.348 284 F C 1.104 176.930 175.800 0.043 0.000 1.119 284 F CA -0.790 57.235 58.000 0.042 0.000 1.069 284 F CB 1.125 40.153 39.000 0.048 0.000 1.124 284 F HN -0.245 nan 8.300 nan 0.000 0.472 285 D N 0.877 121.384 120.400 0.178 0.000 2.194 285 D HA -0.121 4.520 4.640 0.001 0.000 0.204 285 D C 1.189 177.563 176.300 0.124 0.000 0.964 285 D CA 1.045 55.115 54.000 0.117 0.000 0.846 285 D CB -0.217 40.627 40.800 0.072 0.000 0.962 285 D HN 0.668 nan 8.370 nan 0.000 0.490 286 N N 0.396 119.188 118.700 0.153 0.000 2.542 286 N HA 0.081 4.822 4.740 0.001 0.000 0.234 286 N C -0.728 174.841 175.510 0.098 0.000 1.257 286 N CA -0.124 52.993 53.050 0.111 0.000 0.883 286 N CB 0.341 38.892 38.487 0.108 0.000 1.197 286 N HN -0.176 nan 8.380 nan 0.000 0.488 287 V N 1.139 121.124 119.914 0.118 0.000 2.668 287 V HA 0.251 4.372 4.120 0.001 0.000 0.304 287 V C -0.401 175.753 176.094 0.100 0.000 1.071 287 V CA -0.753 61.608 62.300 0.101 0.000 0.894 287 V CB 2.218 34.123 31.823 0.137 0.000 1.008 287 V HN 0.262 nan 8.190 nan 0.000 0.425 288 L N 5.541 126.807 121.223 0.072 0.000 2.255 288 L HA 0.455 4.795 4.340 0.001 0.000 0.289 288 L C -0.964 175.959 176.870 0.087 0.000 1.046 288 L CA -0.540 54.338 54.840 0.064 0.000 0.816 288 L CB 1.178 43.257 42.059 0.034 0.000 1.197 288 L HN 0.361 nan 8.230 nan 0.000 0.427 289 L N 3.931 125.225 121.223 0.119 0.000 2.282 289 L HA 0.513 4.853 4.340 0.001 0.000 0.288 289 L C 0.301 177.218 176.870 0.079 0.000 1.033 289 L CA -0.085 54.866 54.840 0.185 0.000 0.807 289 L CB 1.605 43.803 42.059 0.231 0.000 1.209 289 L HN 0.541 nan 8.230 nan 0.000 0.423 290 T N 1.269 115.875 114.554 0.088 0.000 2.861 290 T HA 0.503 4.854 4.350 0.001 0.000 0.287 290 T C -2.495 172.236 174.700 0.051 0.000 1.003 290 T CA -1.825 60.286 62.100 0.019 0.000 0.977 290 T CB 1.874 70.740 68.868 -0.004 0.000 0.996 290 T HN 0.410 nan 8.240 nan 0.000 0.448 291 P HA 0.061 nan 4.420 nan 0.000 0.246 291 P C 0.099 177.491 177.300 0.153 0.000 1.675 291 P CA 0.287 63.403 63.100 0.026 0.000 0.908 291 P CB -1.228 30.453 31.700 -0.032 0.000 1.890 292 H N -0.126 118.971 119.070 0.044 0.000 2.677 292 H HA -0.171 4.386 4.556 0.001 0.000 0.321 292 H C 0.208 175.539 175.328 0.005 0.000 1.171 292 H CA -0.081 55.977 56.048 0.018 0.000 1.139 292 H CB -1.252 28.538 29.762 0.046 0.000 1.515 292 H HN 0.406 nan 8.280 nan 0.000 0.423 293 I N -4.064 116.579 120.570 0.121 0.000 3.861 293 I HA 0.745 4.916 4.170 0.001 0.000 0.262 293 I C 1.698 177.849 176.117 0.056 0.000 1.269 293 I CA -0.396 60.961 61.300 0.094 0.000 1.140 293 I CB 1.226 39.255 38.000 0.048 0.000 1.424 293 I HN 0.280 nan 8.210 nan 0.000 0.527 294 G N -0.222 108.600 108.800 0.037 0.000 2.349 294 G HA2 -0.213 3.748 3.960 0.001 0.000 0.213 294 G HA3 -0.213 3.748 3.960 0.001 0.000 0.213 294 G C 0.972 175.891 174.900 0.032 0.000 1.044 294 G CA 0.264 45.377 45.100 0.022 0.000 0.633 294 G HN 1.181 nan 8.290 nan 0.000 0.506 295 G N 0.182 109.015 108.800 0.055 0.000 2.709 295 G HA2 0.356 4.317 3.960 0.001 0.000 0.208 295 G HA3 0.356 4.317 3.960 0.001 0.000 0.208 295 G C 0.903 175.823 174.900 0.034 0.000 1.129 295 G CA 1.330 46.458 45.100 0.047 0.000 0.793 295 G HN 0.966 nan 8.290 nan 0.000 0.524 296 S N 1.369 117.095 115.700 0.044 0.000 4.051 296 S HA 0.366 4.837 4.470 0.001 0.000 0.215 296 S C 0.073 174.683 174.600 0.017 0.000 1.289 296 S CA 0.097 58.315 58.200 0.031 0.000 0.907 296 S CB -0.107 63.117 63.200 0.040 0.000 1.603 296 S HN 0.273 nan 8.310 nan 0.000 0.453 297 T N 0.632 115.188 114.554 0.004 0.000 2.907 297 T HA 0.313 4.663 4.350 0.001 0.000 0.292 297 T C 0.966 175.652 174.700 -0.024 0.000 1.043 297 T CA -0.594 61.503 62.100 -0.005 0.000 1.003 297 T CB 1.614 70.477 68.868 -0.008 0.000 1.084 297 T HN 0.268 nan 8.240 nan 0.000 0.483 298 Q N 1.136 120.923 119.800 -0.023 0.000 2.112 298 Q HA -0.137 4.204 4.340 0.001 0.000 0.206 298 Q C 1.882 177.812 176.000 -0.117 0.000 0.987 298 Q CA 2.295 58.070 55.803 -0.047 0.000 0.858 298 Q CB 0.102 28.835 28.738 -0.008 0.000 0.905 298 Q HN 0.734 nan 8.270 nan 0.000 0.420 299 E N -0.426 119.726 120.200 -0.080 0.000 2.204 299 E HA -0.135 4.215 4.350 0.001 0.000 0.194 299 E C 1.806 178.342 176.600 -0.108 0.000 0.989 299 E CA 1.031 57.374 56.400 -0.095 0.000 0.824 299 E CB -0.471 29.199 29.700 -0.049 0.000 0.756 299 E HN 0.441 nan 8.360 nan 0.000 0.477 300 A N 1.978 124.751 122.820 -0.079 0.000 1.855 300 A HA -0.178 4.143 4.320 0.001 0.000 0.215 300 A C 2.237 179.773 177.584 -0.080 0.000 1.191 300 A CA 1.188 53.190 52.037 -0.059 0.000 0.613 300 A CB -0.334 18.648 19.000 -0.029 0.000 0.829 300 A HN 0.030 nan 8.150 nan 0.000 0.442 301 Q N -0.294 119.445 119.800 -0.103 0.000 2.152 301 Q HA -0.237 4.103 4.340 0.001 0.000 0.206 301 Q C 1.914 177.775 176.000 -0.231 0.000 0.985 301 Q CA 1.872 57.613 55.803 -0.102 0.000 0.863 301 Q CB -0.456 28.228 28.738 -0.090 0.000 0.904 301 Q HN 0.901 nan 8.270 nan 0.000 0.422 302 E N 0.891 120.806 120.200 -0.474 0.000 2.031 302 E HA -0.161 4.190 4.350 0.001 0.000 0.193 302 E C 1.490 178.025 176.600 -0.108 0.000 0.994 302 E CA 1.330 57.403 56.400 -0.546 0.000 0.800 302 E CB -0.003 29.442 29.700 -0.424 0.000 0.752 302 E HN 0.581 nan 8.360 nan 0.000 0.447 303 N N 0.292 118.946 118.700 -0.077 0.000 2.446 303 N HA -0.076 4.664 4.740 0.001 0.000 0.179 303 N C 2.101 177.601 175.510 -0.016 0.000 1.054 303 N CA 0.451 53.486 53.050 -0.026 0.000 0.905 303 N CB -0.102 38.369 38.487 -0.026 0.000 0.973 303 N HN 0.250 nan 8.380 nan 0.000 0.448 304 I N 1.775 122.340 120.570 -0.009 0.000 2.202 304 I HA -0.149 4.022 4.170 0.001 0.000 0.242 304 I C 2.716 178.855 176.117 0.037 0.000 1.091 304 I CA 1.405 62.703 61.300 -0.003 0.000 1.368 304 I CB -0.706 37.317 38.000 0.039 0.000 1.058 304 I HN 0.206 nan 8.210 nan 0.000 0.410 305 G N 1.053 109.968 108.800 0.192 0.000 2.459 305 G HA2 -0.261 3.700 3.960 0.001 0.000 0.217 305 G HA3 -0.261 3.700 3.960 0.001 0.000 0.217 305 G C 1.572 176.582 174.900 0.183 0.000 1.183 305 G CA 0.586 45.911 45.100 0.375 0.000 0.776 305 G HN 0.150 nan 8.290 nan 0.000 0.552 306 L N 0.736 122.017 121.223 0.097 0.000 2.012 306 L HA -0.046 4.295 4.340 0.001 0.000 0.210 306 L C 2.692 179.538 176.870 -0.041 0.000 1.073 306 L CA 2.292 57.151 54.840 0.031 0.000 0.748 306 L CB -0.845 41.226 42.059 0.021 0.000 0.891 306 L HN 0.515 nan 8.230 nan 0.000 0.431 307 E N -1.052 119.105 120.200 -0.072 0.000 2.017 307 E HA -0.231 4.120 4.350 0.001 0.000 0.193 307 E C 2.295 178.763 176.600 -0.220 0.000 0.997 307 E CA 1.796 58.120 56.400 -0.127 0.000 0.804 307 E CB -0.239 29.391 29.700 -0.117 0.000 0.757 307 E HN 0.228 nan 8.360 nan 0.000 0.448 308 V N 0.377 120.086 119.914 -0.343 0.000 2.667 308 V HA -0.065 4.055 4.120 0.001 0.000 0.252 308 V C 2.084 177.916 176.094 -0.438 0.000 1.065 308 V CA 1.783 63.770 62.300 -0.521 0.000 1.083 308 V CB -0.208 31.095 31.823 -0.866 0.000 0.692 308 V HN 0.465 nan 8.190 nan 0.000 0.468 309 A N -0.135 122.531 122.820 -0.256 0.000 2.014 309 A HA 0.081 4.401 4.320 0.001 0.000 0.218 309 A C 2.253 179.739 177.584 -0.164 0.000 1.163 309 A CA 1.492 53.486 52.037 -0.073 0.000 0.652 309 A CB -0.982 18.054 19.000 0.060 0.000 0.808 309 A HN 0.619 nan 8.150 nan 0.000 0.449 310 G N -0.169 108.525 108.800 -0.176 0.000 2.394 310 G HA2 -0.154 3.806 3.960 0.001 0.000 0.215 310 G HA3 -0.154 3.806 3.960 0.001 0.000 0.215 310 G C 1.646 176.400 174.900 -0.243 0.000 1.165 310 G CA 0.859 45.858 45.100 -0.169 0.000 0.784 310 G HN 0.538 nan 8.290 nan 0.000 0.535 311 K N -0.451 119.735 120.400 -0.356 0.000 2.097 311 K HA 0.006 4.327 4.320 0.001 0.000 0.206 311 K C 2.360 178.561 176.600 -0.666 0.000 1.049 311 K CA 0.623 56.545 56.287 -0.608 0.000 0.933 311 K CB -0.222 31.768 32.500 -0.850 0.000 0.717 311 K HN 0.138 nan 8.250 nan 0.000 0.442 312 L N 1.080 122.028 121.223 -0.458 0.000 2.093 312 L HA -0.121 4.219 4.340 0.001 0.000 0.208 312 L C 2.066 178.749 176.870 -0.311 0.000 1.085 312 L CA 1.462 56.116 54.840 -0.310 0.000 0.755 312 L CB -0.406 41.517 42.059 -0.226 0.000 0.904 312 L HN 0.164 nan 8.230 nan 0.000 0.435 313 I N -0.869 119.534 120.570 -0.279 0.000 2.163 313 I HA -0.323 3.847 4.170 0.001 0.000 0.240 313 I C 2.377 178.451 176.117 -0.072 0.000 1.081 313 I CA 1.181 62.358 61.300 -0.206 0.000 1.353 313 I CB -0.272 37.655 38.000 -0.122 0.000 1.054 313 I HN 0.222 nan 8.210 nan 0.000 0.407 314 K N -0.096 120.257 120.400 -0.077 0.000 2.063 314 K HA -0.263 4.058 4.320 0.001 0.000 0.208 314 K C 2.226 178.868 176.600 0.071 0.000 1.048 314 K CA 1.801 58.082 56.287 -0.011 0.000 0.928 314 K CB -0.453 32.020 32.500 -0.045 0.000 0.713 314 K HN 0.242 nan 8.250 nan 0.000 0.442 315 Y N 1.698 121.957 120.300 -0.069 0.000 2.145 315 Y HA -0.248 4.302 4.550 0.001 0.000 0.286 315 Y C 2.668 178.651 175.900 0.138 0.000 1.145 315 Y CA 1.399 59.539 58.100 0.067 0.000 1.148 315 Y CB -0.692 37.847 38.460 0.132 0.000 0.981 315 Y HN -0.042 nan 8.280 nan 0.000 0.507 316 S N -0.106 115.608 115.700 0.024 0.000 2.351 316 S HA -0.209 4.261 4.470 0.001 0.000 0.220 316 S C 1.720 176.362 174.600 0.070 0.000 1.035 316 S CA 1.916 60.143 58.200 0.046 0.000 1.031 316 S CB -0.515 62.710 63.200 0.043 0.000 0.928 316 S HN 0.614 nan 8.310 nan 0.000 0.433 317 D N 1.217 121.690 120.400 0.122 0.000 2.144 317 D HA -0.028 4.613 4.640 0.001 0.000 0.200 317 D C 1.241 177.648 176.300 0.177 0.000 0.978 317 D CA 1.134 55.225 54.000 0.152 0.000 0.833 317 D CB -0.265 40.605 40.800 0.117 0.000 0.961 317 D HN 0.773 nan 8.370 nan 0.000 0.470 318 N N -1.884 116.901 118.700 0.142 0.000 2.307 318 N HA 0.161 4.902 4.740 0.001 0.000 0.248 318 N C 0.976 176.585 175.510 0.165 0.000 1.322 318 N CA 0.387 53.560 53.050 0.205 0.000 0.861 318 N CB 1.291 39.900 38.487 0.204 0.000 1.303 318 N HN 0.109 nan 8.380 nan 0.000 0.498 319 G N 1.030 109.900 108.800 0.117 0.000 2.189 319 G HA2 -0.352 3.608 3.960 0.001 0.000 0.267 319 G HA3 -0.352 3.608 3.960 0.001 0.000 0.267 319 G C 0.026 175.204 174.900 0.463 0.000 0.975 319 G CA 0.653 45.904 45.100 0.252 0.000 0.644 319 G HN 0.562 nan 8.290 nan 0.000 0.537 320 S N 0.643 116.554 115.700 0.352 0.000 2.515 320 S HA 0.446 4.917 4.470 0.001 0.000 0.285 320 S C 1.576 176.426 174.600 0.418 0.000 1.265 320 S CA 1.156 59.547 58.200 0.319 0.000 1.079 320 S CB 0.502 63.811 63.200 0.182 0.000 0.877 320 S HN 1.095 nan 8.310 nan 0.000 0.493 321 T N 3.518 118.291 114.554 0.365 0.000 3.085 321 T HA 0.315 4.665 4.350 0.001 0.000 0.264 321 T C 0.606 175.465 174.700 0.264 0.000 1.019 321 T CA -0.445 61.838 62.100 0.304 0.000 0.910 321 T CB -0.312 68.676 68.868 0.201 0.000 1.059 321 T HN 0.520 nan 8.240 nan 0.000 0.542 322 L N 2.892 124.246 121.223 0.218 0.000 2.559 322 L HA 0.075 4.415 4.340 0.001 0.000 0.282 322 L C 1.484 178.474 176.870 0.199 0.000 1.232 322 L CA 1.062 56.000 54.840 0.164 0.000 0.885 322 L CB 0.245 42.377 42.059 0.122 0.000 1.131 322 L HN 0.770 nan 8.230 nan 0.000 0.498 323 S N 0.579 116.365 115.700 0.144 0.000 2.929 323 S HA -0.231 4.239 4.470 0.001 0.000 0.271 323 S C 0.465 175.136 174.600 0.117 0.000 1.295 323 S CA 0.399 58.673 58.200 0.124 0.000 1.277 323 S CB -1.716 61.551 63.200 0.112 0.000 1.557 323 S HN 1.205 nan 8.310 nan 0.000 0.666 324 A N 1.290 124.160 122.820 0.085 0.000 2.548 324 A HA 0.588 4.908 4.320 0.001 0.000 0.247 324 A C 1.441 178.922 177.584 -0.172 0.000 1.067 324 A CA 0.429 52.302 52.037 -0.274 0.000 0.757 324 A CB 0.437 19.167 19.000 -0.451 0.000 0.996 324 A HN 1.105 nan 8.150 nan 0.000 0.504 325 V N 2.512 122.293 119.914 -0.223 0.000 2.307 325 V HA -0.135 3.986 4.120 0.001 0.000 0.245 325 V C 1.578 177.617 176.094 -0.092 0.000 1.045 325 V CA 2.268 64.489 62.300 -0.131 0.000 1.024 325 V CB -0.550 31.193 31.823 -0.133 0.000 0.651 325 V HN 1.065 nan 8.190 nan 0.000 0.449 326 N N -1.204 117.435 118.700 -0.102 0.000 2.610 326 N HA 0.232 4.972 4.740 0.001 0.000 0.309 326 N C -1.006 174.573 175.510 0.115 0.000 1.536 326 N CA -0.189 52.848 53.050 -0.022 0.000 0.954 326 N CB 0.615 39.083 38.487 -0.032 0.000 1.310 326 N HN 0.326 nan 8.380 nan 0.000 0.502 327 F N 0.305 120.131 119.950 -0.207 0.000 2.719 327 F HA 0.492 5.019 4.527 0.001 0.000 0.309 327 F C -2.411 173.307 175.800 -0.138 0.000 1.138 327 F CA -1.396 56.477 58.000 -0.211 0.000 0.943 327 F CB 2.004 40.802 39.000 -0.337 0.000 1.304 327 F HN -0.123 nan 8.300 nan 0.000 0.445 328 P HA 0.185 nan 4.420 nan 0.000 0.275 328 P C -1.422 175.940 177.300 0.104 0.000 1.227 328 P CA -0.153 62.935 63.100 -0.021 0.000 0.781 328 P CB 0.878 32.529 31.700 -0.081 0.000 0.906 329 E N 0.851 121.090 120.200 0.066 0.000 2.167 329 E HA 0.380 4.731 4.350 0.001 0.000 0.284 329 E C -0.155 176.419 176.600 -0.043 0.000 1.016 329 E CA -0.760 55.684 56.400 0.073 0.000 0.817 329 E CB 1.299 31.044 29.700 0.076 0.000 1.080 329 E HN 0.322 nan 8.360 nan 0.000 0.397 330 V N 0.289 120.181 119.914 -0.036 0.000 3.049 330 V HA 0.877 4.997 4.120 0.001 0.000 0.309 330 V C -0.977 175.088 176.094 -0.048 0.000 1.148 330 V CA -0.578 61.501 62.300 -0.369 0.000 0.990 330 V CB 2.160 33.612 31.823 -0.619 0.000 1.039 330 V HN 0.699 nan 8.190 nan 0.000 0.430 331 S N 3.768 119.466 115.700 -0.003 0.000 2.543 331 S HA 0.828 5.299 4.470 0.001 0.000 0.274 331 S C -1.721 173.015 174.600 0.226 0.000 1.149 331 S CA -0.690 57.592 58.200 0.137 0.000 0.866 331 S CB 1.591 64.876 63.200 0.141 0.000 1.111 331 S HN 1.590 nan 8.310 nan 0.000 0.457 332 L N 2.435 123.749 121.223 0.151 0.000 2.438 332 L HA 0.663 5.004 4.340 0.001 0.000 0.270 332 L C -2.471 174.397 176.870 -0.004 0.000 0.972 332 L CA -1.688 53.221 54.840 0.114 0.000 0.831 332 L CB 1.869 43.989 42.059 0.102 0.000 1.273 332 L HN 0.655 nan 8.230 nan 0.000 0.405 333 P HA 0.046 nan 4.420 nan 0.000 0.259 333 P C -0.430 176.597 177.300 -0.455 0.000 1.211 333 P CA -0.156 62.824 63.100 -0.200 0.000 0.810 333 P CB -0.125 31.478 31.700 -0.163 0.000 0.815 334 L N 3.561 124.660 121.223 -0.207 0.000 2.455 334 L HA 0.337 4.678 4.340 0.001 0.000 0.272 334 L C 0.420 177.219 176.870 -0.118 0.000 1.174 334 L CA -0.088 54.679 54.840 -0.122 0.000 0.869 334 L CB -0.301 41.764 42.059 0.009 0.000 1.130 334 L HN 0.580 nan 8.230 nan 0.000 0.474 335 H N 1.538 120.664 119.070 0.093 0.000 3.455 335 H HA 0.522 5.079 4.556 0.001 0.000 0.351 335 H C -0.346 175.026 175.328 0.072 0.000 1.554 335 H CA -0.608 55.476 56.048 0.060 0.000 1.639 335 H CB 0.261 30.044 29.762 0.035 0.000 2.324 335 H HN 1.235 nan 8.280 nan 0.000 0.399 336 G N 1.062 110.000 108.800 0.229 0.000 2.697 336 G HA2 0.291 4.251 3.960 0.001 0.000 0.684 336 G HA3 0.291 4.251 3.960 0.001 0.000 0.684 336 G C -0.038 174.992 174.900 0.216 0.000 1.274 336 G CA -0.502 44.701 45.100 0.171 0.000 0.806 336 G HN 0.935 nan 8.290 nan 0.000 0.644 337 G N -0.501 108.397 108.800 0.163 0.000 2.569 337 G HA2 0.692 4.652 3.960 0.001 0.000 0.249 337 G HA3 0.692 4.652 3.960 0.001 0.000 0.249 337 G C 0.377 175.331 174.900 0.089 0.000 1.216 337 G CA 0.463 45.682 45.100 0.200 0.000 0.845 337 G HN 1.780 nan 8.290 nan 0.000 0.568 338 R N -1.357 119.157 120.500 0.023 0.000 2.093 338 R HA -0.122 4.218 4.340 0.001 0.000 0.372 338 R C -0.209 175.883 176.300 -0.347 0.000 1.105 338 R CA 0.583 56.590 56.100 -0.155 0.000 0.794 338 R CB -1.235 29.019 30.300 -0.077 0.000 2.512 338 R HN 0.900 nan 8.270 nan 0.000 0.483 339 R N 2.928 123.028 120.500 -0.666 0.000 2.513 339 R HA 0.686 5.027 4.340 0.001 0.000 0.301 339 R C -0.963 175.129 176.300 -0.346 0.000 0.968 339 R CA -0.775 54.967 56.100 -0.596 0.000 0.872 339 R CB 0.914 30.633 30.300 -0.968 0.000 1.177 339 R HN 0.234 nan 8.270 nan 0.000 0.444 340 L N 4.112 125.235 121.223 -0.166 0.000 2.301 340 L HA 0.691 5.031 4.340 0.001 0.000 0.264 340 L C -0.553 176.326 176.870 0.015 0.000 1.016 340 L CA -0.975 53.844 54.840 -0.035 0.000 0.821 340 L CB 1.887 43.978 42.059 0.054 0.000 1.346 340 L HN 0.764 nan 8.230 nan 0.000 0.429 341 M N -0.587 119.071 119.600 0.098 0.000 2.593 341 M HA 0.731 5.211 4.480 0.001 0.000 0.290 341 M C -1.273 175.205 176.300 0.295 0.000 1.244 341 M CA -0.398 54.996 55.300 0.157 0.000 0.857 341 M CB 2.126 34.861 32.600 0.227 0.000 1.738 341 M HN 0.444 nan 8.290 nan 0.000 0.461 342 H N 0.534 119.727 119.070 0.207 0.000 2.966 342 H HA 0.769 5.325 4.556 0.001 0.000 0.347 342 H C -2.052 173.491 175.328 0.358 0.000 1.048 342 H CA -0.443 55.767 56.048 0.269 0.000 1.295 342 H CB 1.451 31.364 29.762 0.252 0.000 1.744 342 H HN 0.835 nan 8.280 nan 0.000 0.513 343 I N 6.480 127.071 120.570 0.035 0.000 2.433 343 I HA 0.349 4.520 4.170 0.001 0.000 0.292 343 I C -0.357 175.698 176.117 -0.105 0.000 1.001 343 I CA -0.575 60.735 61.300 0.018 0.000 1.119 343 I CB 1.151 39.194 38.000 0.072 0.000 1.289 343 I HN 0.703 nan 8.210 nan 0.000 0.438 344 H N 3.535 122.605 119.070 -0.001 0.000 2.905 344 H HA 0.442 4.999 4.556 0.001 0.000 0.280 344 H C -1.335 173.998 175.328 0.008 0.000 1.445 344 H CA -1.054 54.998 56.048 0.007 0.000 1.165 344 H CB 1.032 30.866 29.762 0.122 0.000 1.857 344 H HN 0.399 nan 8.280 nan 0.000 0.567 345 E N 1.168 121.506 120.200 0.230 0.000 2.316 345 E HA 0.007 4.358 4.350 0.001 0.000 0.275 345 E C -0.122 176.610 176.600 0.220 0.000 1.029 345 E CA -0.296 56.184 56.400 0.134 0.000 0.871 345 E CB 1.115 30.875 29.700 0.098 0.000 1.022 345 E HN 0.368 nan 8.360 nan 0.000 0.418 346 N N 4.422 123.182 118.700 0.100 0.000 2.402 346 N HA 0.012 4.752 4.740 0.001 0.000 0.259 346 N C -0.791 174.771 175.510 0.086 0.000 1.167 346 N CA -0.057 53.057 53.050 0.106 0.000 0.949 346 N CB 0.213 38.717 38.487 0.029 0.000 1.212 346 N HN 0.446 nan 8.380 nan 0.000 0.493 347 R N 2.100 122.662 120.500 0.102 0.000 2.690 347 R HA 0.459 4.800 4.340 0.001 0.000 0.269 347 R C -3.199 173.126 176.300 0.042 0.000 1.037 347 R CA -1.403 54.731 56.100 0.057 0.000 0.877 347 R CB -0.027 30.300 30.300 0.044 0.000 1.255 347 R HN 0.172 nan 8.270 nan 0.000 0.467 348 P HA 0.040 nan 4.420 nan 0.000 0.267 348 P C 0.706 178.005 177.300 -0.002 0.000 1.195 348 P CA 1.657 64.765 63.100 0.013 0.000 0.773 348 P CB 0.447 32.153 31.700 0.011 0.000 0.837 349 G N 0.280 109.074 108.800 -0.010 0.000 2.228 349 G HA2 -0.341 3.620 3.960 0.001 0.000 0.270 349 G HA3 -0.341 3.620 3.960 0.001 0.000 0.270 349 G C 1.066 175.931 174.900 -0.058 0.000 0.976 349 G CA 0.548 45.632 45.100 -0.027 0.000 0.636 349 G HN 0.402 nan 8.290 nan 0.000 0.542 350 V N 0.440 120.305 119.914 -0.082 0.000 2.261 350 V HA -0.150 3.971 4.120 0.001 0.000 0.246 350 V C 2.683 178.653 176.094 -0.206 0.000 1.047 350 V CA 2.328 64.520 62.300 -0.179 0.000 1.015 350 V CB -0.653 30.973 31.823 -0.328 0.000 0.642 350 V HN 0.428 nan 8.190 nan 0.000 0.446 351 L N 0.160 121.296 121.223 -0.146 0.000 2.046 351 L HA -0.167 4.174 4.340 0.001 0.000 0.208 351 L C 2.532 179.368 176.870 -0.058 0.000 1.077 351 L CA 2.541 57.331 54.840 -0.083 0.000 0.747 351 L CB -0.967 41.093 42.059 0.000 0.000 0.896 351 L HN 0.393 nan 8.230 nan 0.000 0.432 352 T N -0.201 114.327 114.554 -0.044 0.000 2.684 352 T HA -0.231 4.120 4.350 0.001 0.000 0.267 352 T C 1.875 176.545 174.700 -0.051 0.000 1.036 352 T CA 1.507 63.588 62.100 -0.031 0.000 1.148 352 T CB -0.661 68.193 68.868 -0.025 0.000 0.863 352 T HN 0.521 nan 8.240 nan 0.000 0.436 353 A N 0.723 123.497 122.820 -0.077 0.000 2.019 353 A HA 0.092 4.413 4.320 0.001 0.000 0.219 353 A C 2.281 179.783 177.584 -0.138 0.000 1.164 353 A CA 0.945 52.924 52.037 -0.097 0.000 0.644 353 A CB -0.737 18.205 19.000 -0.097 0.000 0.805 353 A HN 0.496 nan 8.150 nan 0.000 0.449 354 L N -0.612 120.520 121.223 -0.152 0.000 2.072 354 L HA -0.161 4.180 4.340 0.001 0.000 0.205 354 L C 2.127 178.938 176.870 -0.098 0.000 1.079 354 L CA 1.680 56.408 54.840 -0.186 0.000 0.752 354 L CB -0.349 41.591 42.059 -0.198 0.000 0.906 354 L HN 0.502 nan 8.230 nan 0.000 0.436 355 N N -0.681 118.019 118.700 0.000 0.000 2.270 355 N HA -0.216 4.524 4.740 0.001 0.000 0.181 355 N C 1.661 177.203 175.510 0.053 0.000 1.016 355 N CA 0.501 53.621 53.050 0.115 0.000 0.870 355 N CB 0.081 38.617 38.487 0.082 0.000 0.979 355 N HN 0.063 nan 8.380 nan 0.000 0.431 356 K N 1.827 122.203 120.400 -0.040 0.000 2.063 356 K HA -0.049 4.272 4.320 0.001 0.000 0.208 356 K C 1.572 178.102 176.600 -0.117 0.000 1.048 356 K CA 1.075 57.328 56.287 -0.057 0.000 0.928 356 K CB -0.425 32.034 32.500 -0.068 0.000 0.713 356 K HN 0.148 nan 8.250 nan 0.000 0.442 357 I N -0.101 120.313 120.570 -0.260 0.000 2.181 357 I HA -0.337 3.833 4.170 0.001 0.000 0.247 357 I C 1.747 177.630 176.117 -0.390 0.000 1.081 357 I CA 1.594 62.647 61.300 -0.412 0.000 1.340 357 I CB -0.367 37.193 38.000 -0.734 0.000 1.036 357 I HN 0.071 nan 8.210 nan 0.000 0.417 358 F N 0.460 120.393 119.950 -0.028 0.000 2.219 358 F HA 0.035 4.563 4.527 0.001 0.000 0.294 358 F C 2.603 178.393 175.800 -0.016 0.000 1.086 358 F CA 0.862 58.850 58.000 -0.021 0.000 1.330 358 F CB -1.214 37.773 39.000 -0.022 0.000 1.047 358 F HN -0.056 nan 8.300 nan 0.000 0.495 359 A N 0.979 123.885 122.820 0.143 0.000 1.873 359 A HA -0.266 4.055 4.320 0.001 0.000 0.218 359 A C 2.087 179.696 177.584 0.041 0.000 1.193 359 A CA 2.084 54.168 52.037 0.077 0.000 0.629 359 A CB -1.162 17.866 19.000 0.048 0.000 0.826 359 A HN 0.575 nan 8.150 nan 0.000 0.447 360 E N -0.557 119.649 120.200 0.009 0.000 2.478 360 E HA -0.149 4.201 4.350 0.001 0.000 0.198 360 E C 1.340 177.942 176.600 0.002 0.000 1.046 360 E CA 1.020 57.417 56.400 -0.005 0.000 0.870 360 E CB -0.204 29.480 29.700 -0.028 0.000 0.818 360 E HN 0.780 nan 8.360 nan 0.000 0.527 361 Q N -0.114 119.698 119.800 0.021 0.000 2.247 361 Q HA 0.161 4.502 4.340 0.001 0.000 0.211 361 Q C 0.640 176.670 176.000 0.050 0.000 0.861 361 Q CA 0.215 56.037 55.803 0.032 0.000 0.949 361 Q CB 1.181 29.944 28.738 0.042 0.000 1.115 361 Q HN 0.496 nan 8.270 nan 0.000 0.507 362 G N 1.088 109.919 108.800 0.052 0.000 2.179 362 G HA2 -0.254 3.707 3.960 0.001 0.000 0.257 362 G HA3 -0.254 3.707 3.960 0.001 0.000 0.257 362 G C 0.132 175.066 174.900 0.056 0.000 1.010 362 G CA 0.249 45.377 45.100 0.046 0.000 0.736 362 G HN 0.224 nan 8.290 nan 0.000 0.513 363 V N 0.140 120.110 119.914 0.094 0.000 2.567 363 V HA 0.488 4.608 4.120 0.001 0.000 0.289 363 V C 0.598 176.721 176.094 0.049 0.000 1.049 363 V CA -0.792 61.561 62.300 0.088 0.000 0.969 363 V CB 1.729 33.654 31.823 0.169 0.000 0.995 363 V HN 0.391 nan 8.190 nan 0.000 0.471 364 N N 2.909 121.607 118.700 -0.004 0.000 2.456 364 N HA 0.431 5.171 4.740 0.001 0.000 0.288 364 N C -0.789 174.663 175.510 -0.096 0.000 1.059 364 N CA -0.322 52.710 53.050 -0.029 0.000 0.946 364 N CB 0.888 39.362 38.487 -0.021 0.000 1.150 364 N HN 0.588 nan 8.380 nan 0.000 0.479 365 I N 2.860 123.370 120.570 -0.100 0.000 2.304 365 I HA 0.231 4.401 4.170 0.001 0.000 0.291 365 I C 1.121 177.186 176.117 -0.086 0.000 1.018 365 I CA -0.410 60.795 61.300 -0.158 0.000 1.260 365 I CB 1.448 39.368 38.000 -0.134 0.000 1.390 365 I HN 0.675 nan 8.210 nan 0.000 0.475 366 A N 5.639 128.411 122.820 -0.080 0.000 1.898 366 A HA 0.500 4.820 4.320 0.001 0.000 0.214 366 A C 0.988 178.575 177.584 0.005 0.000 1.183 366 A CA 1.126 53.149 52.037 -0.024 0.000 0.622 366 A CB 0.086 19.088 19.000 0.003 0.000 0.824 366 A HN 0.760 nan 8.150 nan 0.000 0.444 367 A N -1.513 121.304 122.820 -0.004 0.000 2.589 367 A HA 0.650 4.971 4.320 0.001 0.000 0.296 367 A C -0.970 176.611 177.584 -0.004 0.000 1.062 367 A CA -0.276 51.771 52.037 0.017 0.000 0.686 367 A CB 0.967 20.009 19.000 0.069 0.000 1.282 367 A HN 0.373 nan 8.150 nan 0.000 0.404 368 Q N 0.802 120.610 119.800 0.012 0.000 2.284 368 Q HA 0.557 4.898 4.340 0.001 0.000 0.269 368 Q C -2.490 173.570 176.000 0.100 0.000 1.026 368 Q CA -0.586 55.238 55.803 0.035 0.000 0.831 368 Q CB 2.111 30.860 28.738 0.017 0.000 1.322 368 Q HN 0.815 nan 8.270 nan 0.000 0.419 369 Y N 4.617 124.896 120.300 -0.036 0.000 2.361 369 Y HA 0.560 5.110 4.550 0.001 0.000 0.337 369 Y C -1.888 173.986 175.900 -0.043 0.000 0.965 369 Y CA -1.362 56.723 58.100 -0.026 0.000 1.091 369 Y CB 1.529 39.977 38.460 -0.021 0.000 1.182 369 Y HN 0.636 nan 8.280 nan 0.000 0.450 370 L N 6.715 128.181 121.223 0.405 0.000 2.409 370 L HA 0.563 4.903 4.340 0.001 0.000 0.272 370 L C -1.818 175.162 176.870 0.183 0.000 0.980 370 L CA -0.492 54.448 54.840 0.167 0.000 0.826 370 L CB 1.955 44.105 42.059 0.151 0.000 1.268 370 L HN 0.785 nan 8.230 nan 0.000 0.407 371 Q N 2.629 122.453 119.800 0.040 0.000 2.394 371 Q HA 0.619 4.959 4.340 0.001 0.000 0.273 371 Q C -1.470 174.541 176.000 0.019 0.000 1.089 371 Q CA -0.200 55.632 55.803 0.047 0.000 0.812 371 Q CB 2.388 31.106 28.738 -0.034 0.000 1.353 371 Q HN 0.728 nan 8.270 nan 0.000 0.438 372 T N 1.311 115.875 114.554 0.016 0.000 2.893 372 T HA 0.739 5.090 4.350 0.001 0.000 0.291 372 T C -0.537 174.136 174.700 -0.045 0.000 1.028 372 T CA -0.004 62.082 62.100 -0.024 0.000 0.995 372 T CB 0.912 69.786 68.868 0.010 0.000 1.051 372 T HN 0.755 nan 8.240 nan 0.000 0.470 373 S N 2.271 117.914 115.700 -0.094 0.000 2.561 373 S HA 0.776 5.246 4.470 0.001 0.000 0.282 373 S C 1.846 176.406 174.600 -0.068 0.000 1.123 373 S CA -0.013 58.130 58.200 -0.094 0.000 1.011 373 S CB 0.219 63.322 63.200 -0.162 0.000 1.244 373 S HN 0.814 nan 8.310 nan 0.000 0.503 374 A N 1.048 123.829 122.820 -0.065 0.000 1.828 374 A HA -0.063 4.257 4.320 0.001 0.000 0.215 374 A C 2.189 179.748 177.584 -0.042 0.000 1.203 374 A CA 1.680 53.691 52.037 -0.043 0.000 0.614 374 A CB -1.269 17.708 19.000 -0.039 0.000 0.844 374 A HN 0.895 nan 8.150 nan 0.000 0.445 375 Q N -0.992 118.772 119.800 -0.059 0.000 2.219 375 Q HA 0.418 4.758 4.340 0.001 0.000 0.209 375 Q C 0.099 176.058 176.000 -0.070 0.000 0.854 375 Q CA -0.026 55.748 55.803 -0.048 0.000 0.960 375 Q CB -0.041 28.674 28.738 -0.038 0.000 1.116 375 Q HN 0.822 nan 8.270 nan 0.000 0.500 376 M N -1.700 117.826 119.600 -0.123 0.000 2.550 376 M HA 0.843 5.324 4.480 0.001 0.000 0.292 376 M C -1.116 175.043 176.300 -0.235 0.000 1.221 376 M CA -0.900 54.287 55.300 -0.189 0.000 0.873 376 M CB 2.346 34.783 32.600 -0.272 0.000 1.727 376 M HN -0.060 nan 8.290 nan 0.000 0.459 377 G N 1.125 109.708 108.800 -0.362 0.000 2.591 377 G HA2 0.634 4.595 3.960 0.001 0.000 0.306 377 G HA3 0.634 4.595 3.960 0.001 0.000 0.306 377 G C -2.691 171.950 174.900 -0.432 0.000 1.334 377 G CA -0.343 44.532 45.100 -0.375 0.000 0.981 377 G HN 0.720 nan 8.290 nan 0.000 0.491 378 Y N 1.701 121.829 120.300 -0.287 0.000 2.446 378 Y HA 0.738 5.289 4.550 0.001 0.000 0.345 378 Y C -1.076 174.832 175.900 0.014 0.000 0.984 378 Y CA -1.697 56.335 58.100 -0.114 0.000 1.058 378 Y CB 2.310 40.750 38.460 -0.033 0.000 1.220 378 Y HN 0.600 nan 8.280 nan 0.000 0.455 379 V N 6.767 126.494 119.914 -0.312 0.000 2.777 379 V HA 0.656 4.777 4.120 0.001 0.000 0.306 379 V C -1.922 173.968 176.094 -0.339 0.000 1.112 379 V CA -0.589 61.570 62.300 -0.235 0.000 0.917 379 V CB 2.036 33.907 31.823 0.079 0.000 1.018 379 V HN 0.619 nan 8.190 nan 0.000 0.426 380 V N 7.626 127.365 119.914 -0.292 0.000 2.483 380 V HA 0.637 4.758 4.120 0.001 0.000 0.295 380 V C -0.214 175.843 176.094 -0.061 0.000 1.035 380 V CA -0.425 61.767 62.300 -0.179 0.000 0.896 380 V CB 1.718 33.452 31.823 -0.148 0.000 0.986 380 V HN 0.736 nan 8.190 nan 0.000 0.447 381 I N 2.942 123.475 120.570 -0.062 0.000 2.647 381 I HA 0.535 4.705 4.170 0.001 0.000 0.295 381 I C -1.242 174.789 176.117 -0.143 0.000 1.078 381 I CA -0.646 60.602 61.300 -0.086 0.000 1.048 381 I CB 2.460 40.405 38.000 -0.092 0.000 1.239 381 I HN 0.424 nan 8.210 nan 0.000 0.421 382 D N 6.441 126.754 120.400 -0.146 0.000 2.391 382 D HA 0.605 5.245 4.640 0.001 0.000 0.245 382 D C -0.737 175.442 176.300 -0.202 0.000 1.069 382 D CA -0.100 53.813 54.000 -0.145 0.000 0.831 382 D CB 2.562 43.336 40.800 -0.044 0.000 1.204 382 D HN 0.488 nan 8.370 nan 0.000 0.503 383 I N -1.864 118.570 120.570 -0.227 0.000 2.608 383 I HA 0.465 4.635 4.170 0.001 0.000 0.295 383 I C -0.380 175.662 176.117 -0.125 0.000 1.049 383 I CA -0.894 60.253 61.300 -0.255 0.000 1.063 383 I CB 2.354 40.086 38.000 -0.448 0.000 1.248 383 I HN -0.023 nan 8.210 nan 0.000 0.424 384 E N 5.166 125.313 120.200 -0.088 0.000 1.802 384 E HA 0.559 4.910 4.350 0.001 0.000 0.265 384 E C -0.244 176.342 176.600 -0.023 0.000 1.168 384 E CA -0.250 56.129 56.400 -0.036 0.000 1.033 384 E CB 0.683 30.368 29.700 -0.024 0.000 1.095 384 E HN 0.729 nan 8.360 nan 0.000 0.436 385 A N 2.654 125.465 122.820 -0.015 0.000 2.567 385 A HA 0.500 4.820 4.320 0.001 0.000 0.289 385 A C -1.328 176.268 177.584 0.019 0.000 1.177 385 A CA -0.864 51.178 52.037 0.009 0.000 0.694 385 A CB 1.643 20.655 19.000 0.021 0.000 1.292 385 A HN 0.427 nan 8.150 nan 0.000 0.425 386 D N -1.434 118.983 120.400 0.029 0.000 2.326 386 D HA 0.453 5.093 4.640 0.001 0.000 0.251 386 D C 0.932 177.253 176.300 0.036 0.000 1.023 386 D CA -0.232 53.787 54.000 0.031 0.000 0.966 386 D CB 1.555 42.373 40.800 0.029 0.000 1.156 386 D HN 0.477 nan 8.370 nan 0.000 0.494 387 E N 0.564 120.786 120.200 0.036 0.000 2.108 387 E HA -0.254 4.097 4.350 0.001 0.000 0.203 387 E C 0.926 177.548 176.600 0.037 0.000 1.022 387 E CA 1.987 58.409 56.400 0.037 0.000 0.823 387 E CB 0.004 29.725 29.700 0.036 0.000 0.744 387 E HN 0.507 nan 8.360 nan 0.000 0.456 388 D N -0.741 119.679 120.400 0.034 0.000 2.084 388 D HA -0.129 4.512 4.640 0.001 0.000 0.194 388 D C 2.079 178.403 176.300 0.039 0.000 0.990 388 D CA 1.701 55.720 54.000 0.033 0.000 0.826 388 D CB -0.237 40.579 40.800 0.027 0.000 0.971 388 D HN 0.152 nan 8.370 nan 0.000 0.453 389 V N 1.989 121.931 119.914 0.046 0.000 2.392 389 V HA -0.256 3.865 4.120 0.001 0.000 0.249 389 V C 2.607 178.752 176.094 0.086 0.000 1.059 389 V CA 1.777 64.114 62.300 0.062 0.000 1.051 389 V CB -0.890 30.976 31.823 0.071 0.000 0.658 389 V HN 0.161 nan 8.190 nan 0.000 0.455 390 A N -0.088 122.780 122.820 0.079 0.000 1.858 390 A HA -0.238 4.083 4.320 0.001 0.000 0.216 390 A C 2.172 179.802 177.584 0.076 0.000 1.190 390 A CA 1.934 54.026 52.037 0.090 0.000 0.617 390 A CB -0.620 18.411 19.000 0.053 0.000 0.827 390 A HN 0.482 nan 8.150 nan 0.000 0.443 391 E N 0.191 120.423 120.200 0.053 0.000 2.114 391 E HA -0.193 4.158 4.350 0.001 0.000 0.199 391 E C 2.096 178.719 176.600 0.037 0.000 1.008 391 E CA 1.463 57.889 56.400 0.043 0.000 0.810 391 E CB -0.075 29.646 29.700 0.034 0.000 0.739 391 E HN 0.413 nan 8.360 nan 0.000 0.456 392 K N -0.187 120.234 120.400 0.034 0.000 1.969 392 K HA -0.096 4.225 4.320 0.001 0.000 0.216 392 K C 2.147 178.747 176.600 0.000 0.000 1.048 392 K CA 1.330 57.627 56.287 0.016 0.000 0.948 392 K CB -0.950 31.559 32.500 0.014 0.000 0.726 392 K HN 0.193 nan 8.250 nan 0.000 0.442 393 A N 1.757 124.580 122.820 0.004 0.000 1.958 393 A HA -0.211 4.110 4.320 0.001 0.000 0.221 393 A C 2.211 179.777 177.584 -0.031 0.000 1.178 393 A CA 1.663 53.660 52.037 -0.067 0.000 0.642 393 A CB -0.677 18.316 19.000 -0.013 0.000 0.816 393 A HN 0.275 nan 8.150 nan 0.000 0.453 394 L N -0.609 120.637 121.223 0.039 0.000 1.970 394 L HA -0.217 4.124 4.340 0.001 0.000 0.212 394 L C 2.468 179.361 176.870 0.038 0.000 1.071 394 L CA 2.812 57.686 54.840 0.057 0.000 0.751 394 L CB -1.001 41.096 42.059 0.063 0.000 0.889 394 L HN 0.465 nan 8.230 nan 0.000 0.432 395 Q N -0.466 119.347 119.800 0.022 0.000 2.112 395 Q HA -0.201 4.139 4.340 0.001 0.000 0.206 395 Q C 2.121 178.122 176.000 0.002 0.000 0.987 395 Q CA 2.363 58.175 55.803 0.015 0.000 0.858 395 Q CB -0.521 28.222 28.738 0.007 0.000 0.905 395 Q HN 0.659 nan 8.270 nan 0.000 0.420 396 A N -0.486 122.317 122.820 -0.028 0.000 1.898 396 A HA -0.153 4.167 4.320 0.001 0.000 0.216 396 A C 2.100 179.653 177.584 -0.052 0.000 1.181 396 A CA 1.538 53.540 52.037 -0.057 0.000 0.620 396 A CB -0.523 18.410 19.000 -0.113 0.000 0.819 396 A HN 0.474 nan 8.150 nan 0.000 0.442 397 M N -0.352 119.219 119.600 -0.049 0.000 2.082 397 M HA -0.237 4.244 4.480 0.001 0.000 0.258 397 M C 2.058 178.441 176.300 0.138 0.000 1.069 397 M CA 1.966 57.255 55.300 -0.019 0.000 1.102 397 M CB -0.415 32.212 32.600 0.045 0.000 1.336 397 M HN 0.334 nan 8.290 nan 0.000 0.404 398 K N 0.009 120.487 120.400 0.130 0.000 2.152 398 K HA -0.128 4.192 4.320 0.001 0.000 0.206 398 K C 1.857 178.512 176.600 0.092 0.000 1.048 398 K CA 1.404 57.767 56.287 0.127 0.000 0.933 398 K CB -0.280 32.264 32.500 0.074 0.000 0.721 398 K HN 0.351 nan 8.250 nan 0.000 0.447 399 A N 1.199 124.050 122.820 0.051 0.000 2.167 399 A HA 0.048 4.368 4.320 0.001 0.000 0.214 399 A C 0.934 178.534 177.584 0.026 0.000 1.151 399 A CA 0.066 52.120 52.037 0.028 0.000 0.735 399 A CB -0.294 18.707 19.000 0.003 0.000 0.802 399 A HN 0.134 nan 8.150 nan 0.000 0.467 400 I N 2.804 123.396 120.570 0.036 0.000 2.664 400 I HA 0.051 4.222 4.170 0.001 0.000 0.284 400 I C -1.935 174.209 176.117 0.046 0.000 1.154 400 I CA -1.477 59.832 61.300 0.015 0.000 1.402 400 I CB 0.548 38.531 38.000 -0.029 0.000 1.395 400 I HN 0.146 nan 8.210 nan 0.000 0.545 401 P HA -0.001 nan 4.420 nan 0.000 0.261 401 P C 0.751 178.076 177.300 0.041 0.000 1.183 401 P CA 0.653 63.769 63.100 0.027 0.000 0.761 401 P CB 0.877 32.583 31.700 0.010 0.000 0.785 402 G N 2.102 110.939 108.800 0.063 0.000 2.316 402 G HA2 -0.170 3.791 3.960 0.001 0.000 0.203 402 G HA3 -0.170 3.791 3.960 0.001 0.000 0.203 402 G C 0.271 175.254 174.900 0.139 0.000 0.999 402 G CA -0.256 44.900 45.100 0.093 0.000 0.649 402 G HN 0.586 nan 8.290 nan 0.000 0.489 403 T N 1.148 115.787 114.554 0.142 0.000 2.934 403 T HA 0.429 4.780 4.350 0.001 0.000 0.306 403 T C 1.607 176.316 174.700 0.015 0.000 1.042 403 T CA 0.922 63.075 62.100 0.089 0.000 1.145 403 T CB 1.072 70.013 68.868 0.122 0.000 0.982 403 T HN 0.276 nan 8.240 nan 0.000 0.544 404 I N 1.323 121.864 120.570 -0.048 0.000 3.971 404 I HA 0.294 4.464 4.170 0.001 0.000 0.303 404 I C 1.033 177.125 176.117 -0.041 0.000 1.233 404 I CA 0.061 61.344 61.300 -0.028 0.000 1.346 404 I CB 0.509 38.498 38.000 -0.019 0.000 1.273 404 I HN 0.403 nan 8.210 nan 0.000 0.448 405 R N 0.913 121.355 120.500 -0.098 0.000 2.604 405 R HA 0.684 5.024 4.340 0.001 0.000 0.261 405 R C -2.091 174.146 176.300 -0.105 0.000 1.080 405 R CA -0.399 55.668 56.100 -0.056 0.000 0.917 405 R CB 2.280 32.584 30.300 0.006 0.000 1.252 405 R HN 0.028 nan 8.270 nan 0.000 0.456 406 A N 3.170 125.989 122.820 -0.001 0.000 2.549 406 A HA 0.817 5.137 4.320 0.001 0.000 0.297 406 A C -1.478 176.163 177.584 0.096 0.000 1.061 406 A CA -0.686 51.412 52.037 0.102 0.000 0.690 406 A CB 2.102 21.229 19.000 0.211 0.000 1.287 406 A HN 0.752 nan 8.150 nan 0.000 0.402 407 R N 0.666 121.233 120.500 0.111 0.000 2.629 407 R HA 0.526 4.866 4.340 0.001 0.000 0.266 407 R C -2.259 174.073 176.300 0.052 0.000 1.051 407 R CA -0.762 55.376 56.100 0.062 0.000 0.895 407 R CB 1.534 31.852 30.300 0.029 0.000 1.246 407 R HN 0.747 nan 8.270 nan 0.000 0.459 408 L N 5.716 126.958 121.223 0.032 0.000 2.262 408 L HA 0.338 4.679 4.340 0.001 0.000 0.288 408 L C 0.005 176.875 176.870 0.000 0.000 1.035 408 L CA 0.069 54.914 54.840 0.008 0.000 0.820 408 L CB 1.120 43.192 42.059 0.021 0.000 1.204 408 L HN 0.825 nan 8.230 nan 0.000 0.424 409 L N 5.624 126.820 121.223 -0.044 0.000 2.131 409 L HA 0.058 4.398 4.340 0.001 0.000 0.206 409 L C -0.086 176.886 176.870 0.170 0.000 1.087 409 L CA 0.630 55.490 54.840 0.033 0.000 0.767 409 L CB -0.458 41.616 42.059 0.025 0.000 0.917 409 L HN 0.775 nan 8.230 nan 0.000 0.441 410 Y N 0.000 120.315 120.300 0.025 0.000 2.660 410 Y HA 0.000 4.551 4.550 0.001 0.000 0.201 410 Y CA 0.000 58.113 58.100 0.021 0.000 1.940 410 Y CB 0.000 38.471 38.460 0.018 0.000 1.050 410 Y HN 0.000 nan 8.280 nan 0.000 0.758