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 1wle_1_B DATA FIRST_RESID 22 DATA SEQUENCE QDRNLLYEHA REGYSALPLL DMESLCAYPE DAARALDLRK GELRSKDLPG DATA SEQUENCE IISTWQELRQ LREQIRSLEE EKEAVTEAVR ALVVNQDNSQ VQQDPQYQSL DATA SEQUENCE RARGREIRKQ LTLLYPKEAQ LEEQFYLRAL RLPNQTHPDV PVGDESQARV DATA SEQUENCE LHVVGDKPAF SFQPRGHLEI AEKLDIIRQK RLSHVSGHRS YYLRGAGALL DATA SEQUENCE QHGLVNFTLN KLIHRGFTPM TVPDLLRGVV FEGCGMTPNA KPSQIYNIDP DATA SEQUENCE SRFEDLNLAG TAEVGLAGYF MDHSVAFRDL PIRMVCSSTC YRAETDTGKE DATA SEQUENCE PWGLYRVHHF TKVEMFGVTG PGLEQSSELL EEFLSLQMEI LTELGLHFRV DATA SEQUENCE LDMPTQELGL PAYRKFDIEA WMPGRGRFGE VTSASNCTDF QSRRLHIMFQ DATA SEQUENCE TEAGELQFAH TVNATGCAVP RLLIALLESY QQKDGSVLVP PALQPYLGTD DATA SEQUENCE RITTPTHVPL QYIGPNQPQ 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 22 Q HA 0.000 nan 4.340 nan 0.000 0.214 22 Q C 0.000 176.015 176.000 0.025 0.000 1.003 22 Q CA 0.000 55.816 55.803 0.023 0.000 1.022 22 Q CB 0.000 28.755 28.738 0.028 0.000 1.108 23 D N 0.327 120.743 120.400 0.026 0.000 2.395 23 D HA 0.107 4.747 4.640 -0.001 0.000 0.213 23 D C -0.075 176.247 176.300 0.037 0.000 1.110 23 D CA -0.022 53.993 54.000 0.026 0.000 0.835 23 D CB 0.578 41.388 40.800 0.018 0.000 0.965 23 D HN 0.109 nan 8.370 nan 0.000 0.505 24 R N 1.888 122.417 120.500 0.048 0.000 2.484 24 R HA 0.060 4.400 4.340 -0.001 0.000 0.293 24 R C 0.539 176.891 176.300 0.087 0.000 1.023 24 R CA -0.040 56.104 56.100 0.073 0.000 1.037 24 R CB 0.392 30.740 30.300 0.080 0.000 0.951 24 R HN -0.008 nan 8.270 nan 0.000 0.418 25 N N 4.029 122.796 118.700 0.111 0.000 2.430 25 N HA 0.005 4.745 4.740 -0.001 0.000 0.265 25 N C 1.110 176.713 175.510 0.156 0.000 1.100 25 N CA -0.048 53.077 53.050 0.125 0.000 0.961 25 N CB 0.947 39.512 38.487 0.131 0.000 1.075 25 N HN 0.515 nan 8.380 nan 0.000 0.478 26 L N 3.671 124.971 121.223 0.127 0.000 2.079 26 L HA -0.187 4.152 4.340 -0.001 0.000 0.210 26 L C 2.193 179.149 176.870 0.144 0.000 1.081 26 L CA 1.004 55.924 54.840 0.133 0.000 0.752 26 L CB -0.166 41.965 42.059 0.120 0.000 0.896 26 L HN 0.589 nan 8.230 nan 0.000 0.433 27 L N -1.708 119.590 121.223 0.125 0.000 2.056 27 L HA -0.255 4.084 4.340 -0.001 0.000 0.207 27 L C 2.586 179.522 176.870 0.110 0.000 1.078 27 L CA 1.379 56.280 54.840 0.102 0.000 0.749 27 L CB -0.517 41.584 42.059 0.069 0.000 0.901 27 L HN 0.185 nan 8.230 nan 0.000 0.433 28 Y N 0.723 121.032 120.300 0.015 0.000 2.163 28 Y HA -0.241 4.309 4.550 -0.001 0.000 0.288 28 Y C 2.671 178.571 175.900 -0.000 0.000 1.136 28 Y CA 1.467 59.551 58.100 -0.027 0.000 1.147 28 Y CB 0.164 38.631 38.460 0.012 0.000 0.987 28 Y HN 0.112 nan 8.280 nan 0.000 0.509 29 E N -0.571 119.666 120.200 0.062 0.000 2.085 29 E HA -0.289 4.061 4.350 -0.001 0.000 0.194 29 E C 2.010 178.541 176.600 -0.115 0.000 0.994 29 E CA 1.740 58.127 56.400 -0.022 0.000 0.801 29 E CB -0.751 28.995 29.700 0.076 0.000 0.743 29 E HN 0.666 nan 8.360 nan 0.000 0.453 30 H N 0.633 119.647 119.070 -0.094 0.000 2.352 30 H HA -0.073 4.483 4.556 -0.001 0.000 0.299 30 H C 1.869 177.072 175.328 -0.208 0.000 1.097 30 H CA 2.257 58.270 56.048 -0.058 0.000 1.311 30 H CB -0.029 29.782 29.762 0.081 0.000 1.377 30 H HN 0.160 nan 8.280 nan 0.000 0.504 31 A N 0.682 123.411 122.820 -0.153 0.000 1.929 31 A HA -0.119 4.201 4.320 -0.001 0.000 0.216 31 A C 2.417 179.761 177.584 -0.400 0.000 1.176 31 A CA 1.330 53.209 52.037 -0.264 0.000 0.628 31 A CB -0.646 18.190 19.000 -0.273 0.000 0.816 31 A HN 0.510 nan 8.150 nan 0.000 0.444 32 R N -0.101 120.093 120.500 -0.510 0.000 2.091 32 R HA -0.165 4.175 4.340 -0.001 0.000 0.238 32 R C 1.296 177.366 176.300 -0.383 0.000 1.136 32 R CA 1.745 57.580 56.100 -0.442 0.000 0.959 32 R CB -0.211 29.851 30.300 -0.395 0.000 0.856 32 R HN 0.401 nan 8.270 nan 0.000 0.437 33 E N -0.634 119.243 120.200 -0.538 0.000 2.478 33 E HA -0.015 4.334 4.350 -0.001 0.000 0.198 33 E C 1.038 177.260 176.600 -0.630 0.000 1.046 33 E CA 0.911 56.886 56.400 -0.708 0.000 0.870 33 E CB 0.179 29.064 29.700 -1.358 0.000 0.818 33 E HN 0.677 nan 8.360 nan 0.000 0.527 34 G N 0.756 109.275 108.800 -0.469 0.000 2.143 34 G HA2 -0.346 3.614 3.960 -0.001 0.000 0.248 34 G HA3 -0.346 3.614 3.960 -0.001 0.000 0.248 34 G C 0.764 175.583 174.900 -0.135 0.000 0.991 34 G CA 0.530 45.478 45.100 -0.252 0.000 0.689 34 G HN 0.449 nan 8.290 nan 0.000 0.522 35 Y N 0.373 120.468 120.300 -0.341 0.000 2.293 35 Y HA 0.185 4.735 4.550 -0.001 0.000 0.291 35 Y C 1.798 177.542 175.900 -0.261 0.000 1.137 35 Y CA 0.870 58.716 58.100 -0.422 0.000 1.202 35 Y CB 0.247 38.146 38.460 -0.935 0.000 0.990 35 Y HN 0.370 nan 8.280 nan 0.000 0.537 36 S N -1.652 114.015 115.700 -0.054 0.000 2.671 36 S HA 0.676 5.145 4.470 -0.001 0.000 0.277 36 S C -0.877 173.683 174.600 -0.068 0.000 1.165 36 S CA -0.866 57.355 58.200 0.036 0.000 0.822 36 S CB 1.431 64.803 63.200 0.288 0.000 1.150 36 S HN 0.188 nan 8.310 nan 0.000 0.479 37 A N 0.702 123.400 122.820 -0.204 0.000 2.287 37 A HA 0.710 5.030 4.320 -0.001 0.000 0.273 37 A C -0.218 177.358 177.584 -0.013 0.000 1.091 37 A CA -0.415 51.517 52.037 -0.175 0.000 0.817 37 A CB -0.148 18.685 19.000 -0.279 0.000 1.069 37 A HN 0.718 nan 8.150 nan 0.000 0.492 38 L N 1.159 122.397 121.223 0.024 0.000 2.467 38 L HA 0.183 4.523 4.340 -0.001 0.000 0.270 38 L C -1.907 175.085 176.870 0.202 0.000 1.205 38 L CA -1.342 53.492 54.840 -0.009 0.000 0.828 38 L CB 0.250 42.235 42.059 -0.123 0.000 1.101 38 L HN 0.453 nan 8.230 nan 0.000 0.479 39 P HA -0.026 nan 4.420 nan 0.000 0.266 39 P C -0.863 176.528 177.300 0.151 0.000 1.195 39 P CA -0.141 62.996 63.100 0.061 0.000 0.768 39 P CB 0.426 32.123 31.700 -0.003 0.000 0.838 40 L N 5.149 126.380 121.223 0.013 0.000 2.297 40 L HA 0.331 4.671 4.340 -0.001 0.000 0.277 40 L C -0.752 176.042 176.870 -0.128 0.000 1.040 40 L CA -0.249 54.639 54.840 0.080 0.000 0.867 40 L CB -0.632 41.582 42.059 0.259 0.000 1.244 40 L HN 0.324 nan 8.230 nan 0.000 0.433 41 L N 3.212 124.397 121.223 -0.064 0.000 2.375 41 L HA 0.272 4.612 4.340 -0.001 0.000 0.271 41 L C 0.404 177.178 176.870 -0.160 0.000 1.107 41 L CA -0.577 54.165 54.840 -0.164 0.000 0.806 41 L CB 1.004 42.973 42.059 -0.150 0.000 1.146 41 L HN 0.420 nan 8.230 nan 0.000 0.447 42 D N 2.689 123.001 120.400 -0.148 0.000 2.551 42 D HA 0.081 4.720 4.640 -0.001 0.000 0.223 42 D C 0.861 177.101 176.300 -0.100 0.000 1.144 42 D CA -0.111 53.837 54.000 -0.085 0.000 1.025 42 D CB 0.651 41.420 40.800 -0.052 0.000 1.085 42 D HN 0.344 nan 8.370 nan 0.000 0.506 43 M N 0.982 120.475 119.600 -0.178 0.000 2.349 43 M HA -0.046 4.433 4.480 -0.001 0.000 0.266 43 M C 1.789 178.064 176.300 -0.042 0.000 1.076 43 M CA 0.691 55.848 55.300 -0.238 0.000 1.126 43 M CB -0.545 31.626 32.600 -0.715 0.000 1.392 43 M HN 0.472 nan 8.290 nan 0.000 0.440 44 E N 0.241 120.460 120.200 0.032 0.000 2.085 44 E HA -0.157 4.192 4.350 -0.001 0.000 0.194 44 E C 1.859 178.515 176.600 0.092 0.000 0.994 44 E CA 1.721 58.172 56.400 0.085 0.000 0.801 44 E CB 0.277 30.035 29.700 0.096 0.000 0.743 44 E HN 0.365 nan 8.360 nan 0.000 0.453 45 S N 0.559 116.311 115.700 0.086 0.000 2.368 45 S HA -0.133 4.337 4.470 -0.001 0.000 0.224 45 S C 1.809 176.501 174.600 0.154 0.000 1.029 45 S CA 0.853 59.136 58.200 0.138 0.000 0.988 45 S CB -0.287 62.962 63.200 0.082 0.000 0.838 45 S HN 0.262 nan 8.310 nan 0.000 0.462 46 L N 1.548 122.816 121.223 0.074 0.000 2.017 46 L HA -0.077 4.263 4.340 -0.001 0.000 0.208 46 L C 2.178 179.091 176.870 0.072 0.000 1.073 46 L CA 1.722 56.600 54.840 0.064 0.000 0.745 46 L CB -0.962 41.100 42.059 0.006 0.000 0.894 46 L HN 0.330 nan 8.230 nan 0.000 0.432 47 C N -0.580 118.756 119.300 0.059 0.000 2.432 47 C HA 0.030 4.490 4.460 -0.001 0.000 0.280 47 C C 2.943 177.938 174.990 0.007 0.000 1.353 47 C CA 0.458 59.508 59.018 0.052 0.000 1.766 47 C CB -1.624 26.165 27.740 0.082 0.000 1.924 47 C HN 0.703 nan 8.230 nan 0.000 0.509 48 A N -0.941 121.886 122.820 0.011 0.000 1.929 48 A HA 0.018 4.338 4.320 -0.001 0.000 0.216 48 A C 0.609 177.924 177.584 -0.448 0.000 1.176 48 A CA 1.164 53.101 52.037 -0.167 0.000 0.628 48 A CB -0.372 18.609 19.000 -0.033 0.000 0.816 48 A HN 0.659 nan 8.150 nan 0.000 0.444 49 Y N -0.690 119.622 120.300 0.020 0.000 2.511 49 Y HA 0.280 4.830 4.550 -0.001 0.000 0.356 49 Y C -1.842 174.067 175.900 0.016 0.000 1.002 49 Y CA -2.163 55.947 58.100 0.017 0.000 1.127 49 Y CB 0.857 39.327 38.460 0.016 0.000 1.137 49 Y HN 0.232 nan 8.280 nan 0.000 0.652 50 P HA -0.112 nan 4.420 nan 0.000 0.219 50 P C 0.560 177.898 177.300 0.063 0.000 1.150 50 P CA 1.349 64.487 63.100 0.064 0.000 0.814 50 P CB 0.698 32.419 31.700 0.035 0.000 0.787 51 E N 0.554 120.793 120.200 0.065 0.000 2.051 51 E HA -0.157 4.192 4.350 -0.001 0.000 0.192 51 E C 1.860 178.498 176.600 0.064 0.000 0.991 51 E CA 1.391 57.825 56.400 0.056 0.000 0.799 51 E CB -0.941 28.790 29.700 0.052 0.000 0.748 51 E HN 0.246 nan 8.360 nan 0.000 0.449 52 D N 0.246 120.703 120.400 0.096 0.000 2.117 52 D HA -0.113 4.526 4.640 -0.001 0.000 0.197 52 D C 1.829 178.160 176.300 0.052 0.000 0.987 52 D CA 1.494 55.538 54.000 0.074 0.000 0.829 52 D CB -0.397 40.456 40.800 0.088 0.000 0.961 52 D HN 0.215 nan 8.370 nan 0.000 0.460 53 A N 1.038 123.897 122.820 0.065 0.000 1.902 53 A HA -0.020 4.300 4.320 -0.001 0.000 0.217 53 A C 2.319 179.922 177.584 0.032 0.000 1.181 53 A CA 2.155 54.220 52.037 0.047 0.000 0.623 53 A CB -0.744 18.288 19.000 0.054 0.000 0.818 53 A HN 0.231 nan 8.150 nan 0.000 0.443 54 A N -0.248 122.591 122.820 0.033 0.000 1.902 54 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 54 A C 2.267 179.861 177.584 0.016 0.000 1.181 54 A CA 1.581 53.631 52.037 0.023 0.000 0.623 54 A CB -0.473 18.541 19.000 0.024 0.000 0.818 54 A HN 0.543 nan 8.150 nan 0.000 0.443 55 R N -0.718 119.793 120.500 0.018 0.000 2.073 55 R HA -0.081 4.259 4.340 -0.001 0.000 0.234 55 R C 2.501 178.802 176.300 0.003 0.000 1.134 55 R CA 1.259 57.365 56.100 0.010 0.000 0.952 55 R CB -0.455 29.853 30.300 0.012 0.000 0.850 55 R HN 0.513 nan 8.270 nan 0.000 0.433 56 A N 1.110 123.932 122.820 0.003 0.000 1.930 56 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 56 A C 2.055 179.635 177.584 -0.008 0.000 1.175 56 A CA 0.924 52.957 52.037 -0.007 0.000 0.627 56 A CB -0.403 18.593 19.000 -0.006 0.000 0.815 56 A HN 0.227 nan 8.150 nan 0.000 0.443 57 L N 0.201 121.424 121.223 0.001 0.000 2.017 57 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 57 L C 1.661 178.529 176.870 -0.005 0.000 1.073 57 L CA 2.566 57.406 54.840 -0.000 0.000 0.745 57 L CB -0.701 41.362 42.059 0.006 0.000 0.894 57 L HN 0.319 nan 8.230 nan 0.000 0.432 58 D N -0.662 119.736 120.400 -0.002 0.000 2.144 58 D HA -0.161 4.479 4.640 -0.001 0.000 0.199 58 D C 2.158 178.453 176.300 -0.008 0.000 0.984 58 D CA 1.040 55.038 54.000 -0.003 0.000 0.834 58 D CB -0.155 40.645 40.800 -0.000 0.000 0.955 58 D HN 0.206 nan 8.370 nan 0.000 0.465 59 L N 0.611 121.828 121.223 -0.012 0.000 2.362 59 L HA -0.043 4.297 4.340 -0.001 0.000 0.219 59 L C 2.147 179.003 176.870 -0.023 0.000 1.134 59 L CA 1.176 56.005 54.840 -0.017 0.000 0.807 59 L CB -0.408 41.638 42.059 -0.021 0.000 0.927 59 L HN -0.015 nan 8.230 nan 0.000 0.447 60 R N -0.600 119.885 120.500 -0.024 0.000 2.200 60 R HA -0.045 4.295 4.340 -0.001 0.000 0.208 60 R C 0.359 176.645 176.300 -0.023 0.000 1.033 60 R CA -0.092 55.990 56.100 -0.030 0.000 1.000 60 R CB 0.063 30.342 30.300 -0.034 0.000 0.906 60 R HN -0.039 nan 8.270 nan 0.000 0.462 61 K N -0.022 120.368 120.400 -0.016 0.000 3.148 61 K HA -0.163 4.156 4.320 -0.001 0.000 0.267 61 K C -0.018 176.576 176.600 -0.010 0.000 0.996 61 K CA 0.767 57.048 56.287 -0.011 0.000 0.737 61 K CB -1.573 30.921 32.500 -0.010 0.000 1.308 61 K HN 0.499 nan 8.250 nan 0.000 0.470 62 G N -0.586 108.208 108.800 -0.010 0.000 2.606 62 G HA2 0.273 4.233 3.960 -0.001 0.000 0.262 62 G HA3 0.273 4.233 3.960 -0.001 0.000 0.262 62 G C 0.643 175.541 174.900 -0.003 0.000 1.394 62 G CA 0.026 45.121 45.100 -0.008 0.000 1.044 62 G HN 0.316 nan 8.290 nan 0.000 0.553 63 E N -1.212 118.988 120.200 0.000 0.000 2.023 63 E HA -0.084 4.265 4.350 -0.001 0.000 0.196 63 E C 0.610 177.210 176.600 0.001 0.000 1.003 63 E CA 0.564 56.966 56.400 0.002 0.000 0.809 63 E CB -0.195 29.509 29.700 0.006 0.000 0.755 63 E HN 0.259 nan 8.360 nan 0.000 0.449 64 L N 1.632 122.855 121.223 -0.000 0.000 2.395 64 L HA 0.273 4.613 4.340 -0.001 0.000 0.269 64 L C 0.475 177.344 176.870 -0.001 0.000 1.133 64 L CA -0.556 54.283 54.840 -0.002 0.000 0.812 64 L CB 0.893 42.949 42.059 -0.006 0.000 1.125 64 L HN 0.127 nan 8.230 nan 0.000 0.452 65 R N 0.256 120.756 120.500 0.000 0.000 2.930 65 R HA 0.296 4.635 4.340 -0.001 0.000 0.257 65 R C 1.062 177.365 176.300 0.004 0.000 1.107 65 R CA -0.348 55.754 56.100 0.002 0.000 0.999 65 R CB 1.238 31.539 30.300 0.002 0.000 1.209 65 R HN 0.708 nan 8.270 nan 0.000 0.486 66 S N 0.503 116.207 115.700 0.006 0.000 2.407 66 S HA -0.273 4.197 4.470 -0.001 0.000 0.235 66 S C 1.462 176.068 174.600 0.011 0.000 1.036 66 S CA 1.922 60.128 58.200 0.010 0.000 1.013 66 S CB -0.363 62.843 63.200 0.010 0.000 0.820 66 S HN 0.699 nan 8.310 nan 0.000 0.476 67 K N 1.351 121.756 120.400 0.009 0.000 2.280 67 K HA -0.099 4.221 4.320 -0.001 0.000 0.202 67 K C 0.971 177.578 176.600 0.011 0.000 1.047 67 K CA 1.573 57.866 56.287 0.010 0.000 0.942 67 K CB -0.297 32.208 32.500 0.008 0.000 0.739 67 K HN 0.321 nan 8.250 nan 0.000 0.457 68 D N 1.188 121.593 120.400 0.009 0.000 2.305 68 D HA 0.001 4.640 4.640 -0.001 0.000 0.206 68 D C 2.027 178.334 176.300 0.013 0.000 0.974 68 D CA 0.437 54.442 54.000 0.008 0.000 0.871 68 D CB 0.084 40.884 40.800 0.001 0.000 0.947 68 D HN 0.205 nan 8.370 nan 0.000 0.516 69 L N 1.013 122.245 121.223 0.015 0.000 2.012 69 L HA -0.146 4.194 4.340 -0.001 0.000 0.210 69 L C -0.396 176.497 176.870 0.038 0.000 1.073 69 L CA 1.565 56.419 54.840 0.023 0.000 0.748 69 L CB -1.444 40.629 42.059 0.024 0.000 0.891 69 L HN 0.010 nan 8.230 nan 0.000 0.431 70 P HA -0.173 nan 4.420 nan 0.000 0.215 70 P C 1.508 178.839 177.300 0.052 0.000 1.157 70 P CA 1.838 64.962 63.100 0.040 0.000 0.874 70 P CB -0.211 31.506 31.700 0.029 0.000 0.790 71 G N -0.647 108.181 108.800 0.046 0.000 2.422 71 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.218 71 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.218 71 G C 1.513 176.466 174.900 0.087 0.000 1.146 71 G CA 0.540 45.672 45.100 0.054 0.000 0.769 71 G HN 0.238 nan 8.290 nan 0.000 0.547 72 I N 0.398 121.020 120.570 0.087 0.000 2.202 72 I HA -0.097 4.073 4.170 -0.001 0.000 0.242 72 I C 2.636 178.903 176.117 0.250 0.000 1.091 72 I CA 0.762 62.146 61.300 0.140 0.000 1.368 72 I CB -0.181 37.848 38.000 0.049 0.000 1.058 72 I HN 0.129 nan 8.210 nan 0.000 0.410 73 I N -0.107 120.567 120.570 0.173 0.000 2.226 73 I HA -0.306 3.864 4.170 -0.001 0.000 0.245 73 I C 2.772 179.001 176.117 0.188 0.000 1.100 73 I CA 1.372 62.786 61.300 0.189 0.000 1.374 73 I CB -0.327 37.743 38.000 0.116 0.000 1.057 73 I HN 0.210 nan 8.210 nan 0.000 0.413 74 S N 0.075 115.851 115.700 0.127 0.000 2.382 74 S HA -0.180 4.289 4.470 -0.001 0.000 0.228 74 S C 2.055 176.707 174.600 0.086 0.000 1.027 74 S CA 2.156 60.408 58.200 0.086 0.000 0.991 74 S CB -0.292 62.943 63.200 0.058 0.000 0.823 74 S HN 0.421 nan 8.310 nan 0.000 0.469 75 T N 1.178 115.814 114.554 0.137 0.000 2.746 75 T HA -0.112 4.238 4.350 -0.001 0.000 0.267 75 T C 1.341 176.090 174.700 0.082 0.000 1.039 75 T CA 1.225 63.404 62.100 0.132 0.000 1.142 75 T CB -0.448 68.552 68.868 0.221 0.000 0.866 75 T HN 0.661 nan 8.240 nan 0.000 0.444 76 W N 1.820 123.041 121.300 -0.133 0.000 2.355 76 W HA -0.181 4.479 4.660 -0.001 0.000 0.309 76 W C 2.064 178.441 176.519 -0.238 0.000 1.206 76 W CA 1.210 58.299 57.345 -0.427 0.000 1.284 76 W CB -0.222 28.952 29.460 -0.478 0.000 1.145 76 W HN 0.359 nan 8.180 nan 0.000 0.502 77 Q N 0.026 119.769 119.800 -0.094 0.000 2.124 77 Q HA -0.271 4.068 4.340 -0.001 0.000 0.202 77 Q C 2.202 178.087 176.000 -0.191 0.000 0.977 77 Q CA 1.966 57.669 55.803 -0.167 0.000 0.850 77 Q CB -0.496 28.225 28.738 -0.029 0.000 0.901 77 Q HN 0.429 nan 8.270 nan 0.000 0.429 78 E N 0.515 120.640 120.200 -0.125 0.000 2.072 78 E HA -0.210 4.140 4.350 -0.001 0.000 0.191 78 E C 1.943 178.449 176.600 -0.157 0.000 0.985 78 E CA 0.651 56.988 56.400 -0.106 0.000 0.801 78 E CB 0.035 29.705 29.700 -0.050 0.000 0.750 78 E HN 0.209 nan 8.360 nan 0.000 0.452 79 L N 1.346 122.434 121.223 -0.226 0.000 2.046 79 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 79 L C 2.217 178.881 176.870 -0.343 0.000 1.077 79 L CA 1.597 56.277 54.840 -0.267 0.000 0.747 79 L CB -0.401 41.453 42.059 -0.342 0.000 0.896 79 L HN 0.014 nan 8.230 nan 0.000 0.432 80 R N -0.285 119.916 120.500 -0.498 0.000 2.091 80 R HA -0.114 4.226 4.340 -0.001 0.000 0.238 80 R C 2.155 178.309 176.300 -0.244 0.000 1.136 80 R CA 1.229 57.065 56.100 -0.440 0.000 0.959 80 R CB -1.040 28.959 30.300 -0.501 0.000 0.856 80 R HN 0.520 nan 8.270 nan 0.000 0.437 81 Q N 0.384 120.068 119.800 -0.194 0.000 2.172 81 Q HA -0.042 4.298 4.340 -0.001 0.000 0.200 81 Q C 2.156 178.094 176.000 -0.104 0.000 0.964 81 Q CA 0.630 56.357 55.803 -0.125 0.000 0.855 81 Q CB -0.448 28.230 28.738 -0.100 0.000 0.918 81 Q HN 0.173 nan 8.270 nan 0.000 0.444 82 L N 1.104 122.261 121.223 -0.109 0.000 2.046 82 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 82 L C 2.218 179.045 176.870 -0.072 0.000 1.077 82 L CA 1.721 56.512 54.840 -0.081 0.000 0.747 82 L CB -0.288 41.729 42.059 -0.070 0.000 0.896 82 L HN 0.015 nan 8.230 nan 0.000 0.432 83 R N -0.648 119.800 120.500 -0.087 0.000 2.120 83 R HA -0.176 4.163 4.340 -0.001 0.000 0.234 83 R C 2.220 178.489 176.300 -0.052 0.000 1.123 83 R CA 1.433 57.498 56.100 -0.059 0.000 0.975 83 R CB -0.280 29.970 30.300 -0.085 0.000 0.866 83 R HN 0.544 nan 8.270 nan 0.000 0.446 84 E N 0.795 120.952 120.200 -0.071 0.000 2.107 84 E HA -0.233 4.117 4.350 -0.001 0.000 0.191 84 E C 2.059 178.631 176.600 -0.048 0.000 0.982 84 E CA 0.923 57.289 56.400 -0.057 0.000 0.809 84 E CB 0.173 29.833 29.700 -0.066 0.000 0.756 84 E HN 0.302 nan 8.360 nan 0.000 0.459 85 Q N 0.451 120.218 119.800 -0.056 0.000 2.079 85 Q HA -0.154 4.186 4.340 -0.001 0.000 0.200 85 Q C 2.145 178.108 176.000 -0.061 0.000 0.974 85 Q CA 1.344 57.114 55.803 -0.056 0.000 0.840 85 Q CB -0.036 28.665 28.738 -0.062 0.000 0.898 85 Q HN 0.360 nan 8.270 nan 0.000 0.430 86 I N 0.447 120.980 120.570 -0.062 0.000 2.179 86 I HA -0.293 3.876 4.170 -0.001 0.000 0.242 86 I C 2.833 178.934 176.117 -0.027 0.000 1.088 86 I CA 1.337 62.595 61.300 -0.070 0.000 1.357 86 I CB -0.417 37.564 38.000 -0.031 0.000 1.051 86 I HN 0.271 nan 8.210 nan 0.000 0.409 87 R N 0.535 121.032 120.500 -0.006 0.000 2.091 87 R HA -0.216 4.124 4.340 -0.001 0.000 0.238 87 R C 2.487 178.783 176.300 -0.007 0.000 1.136 87 R CA 2.046 58.149 56.100 0.006 0.000 0.959 87 R CB -0.313 29.987 30.300 -0.000 0.000 0.856 87 R HN 0.244 nan 8.270 nan 0.000 0.437 88 S N 0.400 116.088 115.700 -0.020 0.000 2.370 88 S HA -0.097 4.372 4.470 -0.001 0.000 0.226 88 S C 2.000 176.585 174.600 -0.024 0.000 1.033 88 S CA 1.195 59.382 58.200 -0.022 0.000 1.011 88 S CB -0.157 63.026 63.200 -0.029 0.000 0.852 88 S HN 0.397 nan 8.310 nan 0.000 0.457 89 L N 0.712 121.914 121.223 -0.036 0.000 2.156 89 L HA -0.012 4.327 4.340 -0.001 0.000 0.208 89 L C 2.672 179.527 176.870 -0.025 0.000 1.095 89 L CA 1.204 56.019 54.840 -0.042 0.000 0.770 89 L CB -0.463 41.551 42.059 -0.075 0.000 0.914 89 L HN 0.392 nan 8.230 nan 0.000 0.439 90 E N 0.122 120.316 120.200 -0.010 0.000 2.047 90 E HA -0.212 4.137 4.350 -0.001 0.000 0.191 90 E C 2.049 178.658 176.600 0.015 0.000 0.987 90 E CA 1.143 57.555 56.400 0.020 0.000 0.799 90 E CB 0.018 29.750 29.700 0.052 0.000 0.752 90 E HN 0.514 nan 8.360 nan 0.000 0.449 91 E N 0.794 120.998 120.200 0.007 0.000 2.077 91 E HA -0.215 4.135 4.350 -0.001 0.000 0.193 91 E C 2.077 178.678 176.600 0.002 0.000 0.989 91 E CA 0.792 57.194 56.400 0.005 0.000 0.800 91 E CB -0.045 29.655 29.700 0.001 0.000 0.746 91 E HN 0.249 nan 8.360 nan 0.000 0.452 92 E N 1.274 121.471 120.200 -0.004 0.000 2.153 92 E HA -0.217 4.133 4.350 -0.001 0.000 0.194 92 E C 2.036 178.635 176.600 -0.002 0.000 0.988 92 E CA 0.849 57.246 56.400 -0.005 0.000 0.811 92 E CB 0.114 29.806 29.700 -0.012 0.000 0.746 92 E HN 0.047 nan 8.360 nan 0.000 0.466 93 K N 0.541 120.941 120.400 0.000 0.000 2.057 93 K HA -0.136 4.184 4.320 -0.001 0.000 0.206 93 K C 1.763 178.369 176.600 0.010 0.000 1.050 93 K CA 1.294 57.584 56.287 0.005 0.000 0.935 93 K CB 0.098 32.604 32.500 0.010 0.000 0.715 93 K HN 0.108 nan 8.250 nan 0.000 0.439 94 E N -0.433 119.774 120.200 0.011 0.000 2.418 94 E HA -0.117 4.233 4.350 -0.001 0.000 0.197 94 E C 1.490 178.095 176.600 0.008 0.000 1.026 94 E CA 0.560 56.966 56.400 0.011 0.000 0.862 94 E CB 0.210 29.917 29.700 0.011 0.000 0.799 94 E HN 0.368 nan 8.360 nan 0.000 0.518 95 A N 0.533 123.356 122.820 0.006 0.000 1.984 95 A HA -0.002 4.318 4.320 -0.001 0.000 0.214 95 A C 2.302 179.889 177.584 0.006 0.000 1.173 95 A CA 0.288 52.328 52.037 0.005 0.000 0.673 95 A CB 0.075 19.076 19.000 0.002 0.000 0.830 95 A HN 0.085 nan 8.150 nan 0.000 0.453 96 V N -0.770 119.149 119.914 0.007 0.000 2.788 96 V HA -0.115 4.004 4.120 -0.001 0.000 0.251 96 V C 2.566 178.668 176.094 0.014 0.000 1.068 96 V CA 2.127 64.433 62.300 0.010 0.000 1.090 96 V CB -0.635 31.193 31.823 0.009 0.000 0.710 96 V HN 0.600 nan 8.190 nan 0.000 0.467 97 T N -0.571 113.991 114.554 0.013 0.000 2.995 97 T HA -0.119 4.231 4.350 -0.001 0.000 0.269 97 T C 1.728 176.435 174.700 0.012 0.000 1.091 97 T CA 1.122 63.230 62.100 0.014 0.000 1.128 97 T CB -0.133 68.743 68.868 0.013 0.000 0.891 97 T HN 0.465 nan 8.240 nan 0.000 0.492 98 E N 0.776 120.982 120.200 0.010 0.000 2.250 98 E HA 0.208 4.558 4.350 -0.001 0.000 0.192 98 E C 2.297 178.902 176.600 0.009 0.000 0.986 98 E CA 0.734 57.138 56.400 0.008 0.000 0.849 98 E CB -0.430 29.273 29.700 0.006 0.000 0.797 98 E HN 0.553 nan 8.360 nan 0.000 0.482 99 A N 0.897 123.724 122.820 0.012 0.000 2.216 99 A HA -0.032 4.287 4.320 -0.001 0.000 0.214 99 A C 2.185 179.779 177.584 0.017 0.000 1.160 99 A CA 0.890 52.935 52.037 0.014 0.000 0.725 99 A CB -0.041 18.970 19.000 0.017 0.000 0.784 99 A HN 0.107 nan 8.150 nan 0.000 0.472 100 V N -1.461 118.463 119.914 0.016 0.000 2.911 100 V HA 0.038 4.158 4.120 -0.001 0.000 0.237 100 V C 2.423 178.522 176.094 0.008 0.000 1.156 100 V CA 0.765 63.075 62.300 0.016 0.000 1.180 100 V CB -0.501 31.335 31.823 0.022 0.000 0.932 100 V HN 0.521 nan 8.190 nan 0.000 0.483 101 R N 1.740 122.244 120.500 0.008 0.000 2.081 101 R HA -0.073 4.267 4.340 -0.001 0.000 0.235 101 R C 2.029 178.330 176.300 0.002 0.000 1.131 101 R CA 1.908 58.011 56.100 0.005 0.000 0.960 101 R CB -0.594 29.709 30.300 0.005 0.000 0.856 101 R HN 0.457 nan 8.270 nan 0.000 0.436 102 A N 0.302 123.124 122.820 0.003 0.000 2.172 102 A HA -0.019 4.301 4.320 -0.001 0.000 0.216 102 A C 0.718 178.302 177.584 -0.000 0.000 1.154 102 A CA 0.587 52.625 52.037 0.002 0.000 0.701 102 A CB 0.015 19.017 19.000 0.003 0.000 0.789 102 A HN 0.204 nan 8.150 nan 0.000 0.465 103 L N -0.171 121.052 121.223 -0.000 0.000 2.709 103 L HA 0.337 4.676 4.340 -0.001 0.000 0.236 103 L C 0.345 177.210 176.870 -0.009 0.000 1.266 103 L CA 0.359 55.196 54.840 -0.005 0.000 0.987 103 L CB 1.471 43.528 42.059 -0.004 0.000 1.306 103 L HN 0.023 nan 8.230 nan 0.000 0.467 104 V N -0.625 119.284 119.914 -0.008 0.000 3.408 104 V HA 0.104 4.224 4.120 -0.001 0.000 0.263 104 V C 0.795 176.882 176.094 -0.010 0.000 1.503 104 V CA 0.623 62.917 62.300 -0.010 0.000 1.046 104 V CB 1.504 33.323 31.823 -0.006 0.000 0.851 104 V HN 0.310 nan 8.190 nan 0.000 0.435 105 V N -2.025 117.883 119.914 -0.009 0.000 2.925 105 V HA 0.604 4.723 4.120 -0.001 0.000 0.361 105 V C -0.666 175.423 176.094 -0.008 0.000 1.361 105 V CA -0.309 61.986 62.300 -0.008 0.000 1.184 105 V CB -0.059 31.761 31.823 -0.006 0.000 1.245 105 V HN 0.435 nan 8.190 nan 0.000 0.575 106 N N 1.042 119.736 118.700 -0.010 0.000 2.549 106 N HA 0.466 5.206 4.740 -0.001 0.000 0.290 106 N C -0.114 175.389 175.510 -0.012 0.000 1.122 106 N CA -0.497 52.548 53.050 -0.009 0.000 0.885 106 N CB 1.670 40.153 38.487 -0.006 0.000 1.455 106 N HN 0.296 nan 8.380 nan 0.000 0.521 107 Q N -0.287 119.506 119.800 -0.013 0.000 2.450 107 Q HA -0.230 4.110 4.340 -0.001 0.000 0.255 107 Q C -0.907 175.080 176.000 -0.023 0.000 1.003 107 Q CA 0.847 56.640 55.803 -0.016 0.000 1.097 107 Q CB -0.846 27.884 28.738 -0.014 0.000 1.544 107 Q HN 0.677 nan 8.270 nan 0.000 0.531 108 D N -0.154 120.233 120.400 -0.022 0.000 3.060 108 D HA 0.064 4.704 4.640 -0.001 0.000 0.245 108 D C 0.558 176.841 176.300 -0.029 0.000 1.274 108 D CA -0.010 53.972 54.000 -0.029 0.000 0.864 108 D CB 0.201 40.986 40.800 -0.025 0.000 1.073 108 D HN 0.345 nan 8.370 nan 0.000 0.473 109 N N 0.026 118.710 118.700 -0.028 0.000 2.176 109 N HA -0.046 4.694 4.740 -0.001 0.000 0.187 109 N C 0.780 176.271 175.510 -0.032 0.000 1.043 109 N CA 0.653 53.688 53.050 -0.025 0.000 0.851 109 N CB 0.246 38.720 38.487 -0.021 0.000 1.018 109 N HN -0.097 nan 8.380 nan 0.000 0.436 110 S N -1.674 114.003 115.700 -0.038 0.000 2.775 110 S HA 0.124 4.594 4.470 -0.001 0.000 0.227 110 S C 0.567 175.133 174.600 -0.056 0.000 0.845 110 S CA -0.465 57.706 58.200 -0.047 0.000 1.407 110 S CB 0.231 63.410 63.200 -0.036 0.000 1.259 110 S HN 0.110 nan 8.310 nan 0.000 0.612 111 Q N 1.084 120.853 119.800 -0.051 0.000 2.107 111 Q HA 0.181 4.521 4.340 -0.001 0.000 0.195 111 Q C 2.165 178.122 176.000 -0.073 0.000 0.964 111 Q CA 1.089 56.862 55.803 -0.049 0.000 0.833 111 Q CB -0.826 27.893 28.738 -0.032 0.000 0.910 111 Q HN 0.409 nan 8.270 nan 0.000 0.465 112 V N 2.371 122.238 119.914 -0.078 0.000 2.453 112 V HA -0.240 3.879 4.120 -0.001 0.000 0.252 112 V C 2.437 178.406 176.094 -0.209 0.000 1.068 112 V CA 1.783 64.023 62.300 -0.100 0.000 1.070 112 V CB -0.680 31.097 31.823 -0.077 0.000 0.664 112 V HN 0.388 nan 8.190 nan 0.000 0.461 113 Q N -0.621 119.035 119.800 -0.240 0.000 2.443 113 Q HA -0.202 4.137 4.340 -0.001 0.000 0.213 113 Q C 1.750 177.383 176.000 -0.612 0.000 0.982 113 Q CA 1.334 56.889 55.803 -0.412 0.000 0.894 113 Q CB 0.085 28.676 28.738 -0.245 0.000 0.947 113 Q HN 0.615 nan 8.270 nan 0.000 0.480 114 Q N 0.055 119.665 119.800 -0.318 0.000 1.985 114 Q HA 0.123 4.462 4.340 -0.001 0.000 0.199 114 Q C -1.007 175.002 176.000 0.015 0.000 0.776 114 Q CA -0.103 55.627 55.803 -0.123 0.000 0.988 114 Q CB 0.601 29.320 28.738 -0.032 0.000 1.224 114 Q HN 0.232 nan 8.270 nan 0.000 0.432 115 D N 0.569 120.959 120.400 -0.017 0.000 2.346 115 D HA -0.003 4.637 4.640 -0.001 0.000 0.236 115 D C -1.476 174.872 176.300 0.081 0.000 1.259 115 D CA -0.927 53.089 54.000 0.026 0.000 0.898 115 D CB 0.857 41.661 40.800 0.006 0.000 1.178 115 D HN -0.034 nan 8.370 nan 0.000 0.457 116 P HA -0.120 nan 4.420 nan 0.000 0.221 116 P C 0.277 177.618 177.300 0.069 0.000 1.145 116 P CA 1.033 64.168 63.100 0.057 0.000 0.795 116 P CB 0.223 31.943 31.700 0.033 0.000 0.775 117 Q N -2.323 117.522 119.800 0.076 0.000 2.212 117 Q HA 0.066 4.405 4.340 -0.001 0.000 0.213 117 Q C 1.201 177.287 176.000 0.144 0.000 0.874 117 Q CA -0.051 55.798 55.803 0.078 0.000 0.965 117 Q CB -0.501 28.268 28.738 0.051 0.000 1.074 117 Q HN 0.518 nan 8.270 nan 0.000 0.473 118 Y N 0.908 121.206 120.300 -0.003 0.000 2.153 118 Y HA -0.053 4.497 4.550 -0.001 0.000 0.289 118 Y C 1.142 177.040 175.900 -0.003 0.000 1.119 118 Y CA 0.372 58.471 58.100 -0.003 0.000 1.116 118 Y CB 0.667 39.126 38.460 -0.002 0.000 1.004 118 Y HN 0.143 nan 8.280 nan 0.000 0.501 119 Q N 0.018 119.797 119.800 -0.035 0.000 2.227 119 Q HA 0.221 4.560 4.340 -0.001 0.000 0.245 119 Q C 0.107 176.081 176.000 -0.044 0.000 0.926 119 Q CA 0.584 56.299 55.803 -0.147 0.000 0.895 119 Q CB 1.548 30.183 28.738 -0.172 0.000 1.230 119 Q HN 0.578 nan 8.270 nan 0.000 0.450 120 S N 1.303 116.973 115.700 -0.050 0.000 2.261 120 S HA -0.132 4.338 4.470 -0.001 0.000 0.247 120 S C 0.200 174.795 174.600 -0.008 0.000 1.195 120 S CA 1.106 59.291 58.200 -0.025 0.000 1.464 120 S CB -0.662 62.529 63.200 -0.015 0.000 1.835 120 S HN 0.670 nan 8.310 nan 0.000 0.598 121 L N -0.295 120.932 121.223 0.007 0.000 3.298 121 L HA 0.430 4.770 4.340 -0.001 0.000 0.296 121 L C 1.494 178.385 176.870 0.035 0.000 1.237 121 L CA 0.435 55.288 54.840 0.021 0.000 1.038 121 L CB 0.467 42.545 42.059 0.032 0.000 1.423 121 L HN 0.365 nan 8.230 nan 0.000 0.605 122 R N -0.274 120.242 120.500 0.027 0.000 2.729 122 R HA 0.249 4.589 4.340 -0.001 0.000 0.215 122 R C 1.298 177.598 176.300 -0.000 0.000 0.970 122 R CA 1.032 57.158 56.100 0.044 0.000 1.196 122 R CB 0.421 30.801 30.300 0.133 0.000 1.670 122 R HN -0.004 nan 8.270 nan 0.000 0.575 123 A N 1.332 124.124 122.820 -0.046 0.000 2.119 123 A HA 0.096 4.416 4.320 -0.001 0.000 0.216 123 A C 1.849 179.408 177.584 -0.042 0.000 1.152 123 A CA 0.507 52.502 52.037 -0.069 0.000 0.708 123 A CB -0.272 18.660 19.000 -0.113 0.000 0.805 123 A HN 0.042 nan 8.150 nan 0.000 0.460 124 R N 0.092 120.574 120.500 -0.029 0.000 2.320 124 R HA 0.041 4.381 4.340 -0.001 0.000 0.211 124 R C 1.578 177.869 176.300 -0.016 0.000 0.931 124 R CA 0.760 56.846 56.100 -0.023 0.000 1.071 124 R CB -0.479 29.809 30.300 -0.019 0.000 1.025 124 R HN 0.481 nan 8.270 nan 0.000 0.495 125 G N 0.298 109.093 108.800 -0.009 0.000 2.595 125 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.213 125 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.213 125 G C 1.344 176.241 174.900 -0.004 0.000 1.141 125 G CA -0.121 44.978 45.100 -0.001 0.000 0.806 125 G HN 0.313 nan 8.290 nan 0.000 0.530 126 R N 0.543 121.038 120.500 -0.008 0.000 2.280 126 R HA 0.270 4.609 4.340 -0.001 0.000 0.195 126 R C 1.690 177.979 176.300 -0.017 0.000 0.935 126 R CA 0.991 57.086 56.100 -0.009 0.000 1.033 126 R CB -0.316 29.978 30.300 -0.009 0.000 0.964 126 R HN 0.279 nan 8.270 nan 0.000 0.489 127 E N 1.418 121.604 120.200 -0.023 0.000 2.158 127 E HA 0.066 4.416 4.350 -0.001 0.000 0.191 127 E C 1.596 178.176 176.600 -0.033 0.000 0.982 127 E CA 1.019 57.402 56.400 -0.028 0.000 0.823 127 E CB -0.103 29.579 29.700 -0.030 0.000 0.766 127 E HN 0.446 nan 8.360 nan 0.000 0.468 128 I N -0.009 120.542 120.570 -0.031 0.000 2.286 128 I HA -0.167 4.003 4.170 -0.001 0.000 0.245 128 I C 2.695 178.784 176.117 -0.047 0.000 1.104 128 I CA 0.874 62.150 61.300 -0.041 0.000 1.397 128 I CB -0.269 37.712 38.000 -0.030 0.000 1.072 128 I HN 0.089 nan 8.210 nan 0.000 0.417 129 R N 1.302 121.786 120.500 -0.026 0.000 2.081 129 R HA -0.235 4.105 4.340 -0.001 0.000 0.235 129 R C 2.329 178.614 176.300 -0.025 0.000 1.131 129 R CA 1.641 57.732 56.100 -0.014 0.000 0.960 129 R CB -0.068 30.235 30.300 0.006 0.000 0.856 129 R HN 0.045 nan 8.270 nan 0.000 0.436 130 K N 0.860 121.244 120.400 -0.026 0.000 2.057 130 K HA -0.155 4.165 4.320 -0.001 0.000 0.207 130 K C 1.910 178.482 176.600 -0.047 0.000 1.049 130 K CA 1.757 58.028 56.287 -0.027 0.000 0.931 130 K CB -0.116 32.370 32.500 -0.024 0.000 0.714 130 K HN 0.273 nan 8.250 nan 0.000 0.440 131 Q N -0.140 119.621 119.800 -0.066 0.000 2.046 131 Q HA -0.036 4.304 4.340 -0.001 0.000 0.200 131 Q C 2.183 178.091 176.000 -0.153 0.000 0.975 131 Q CA 1.607 57.356 55.803 -0.090 0.000 0.836 131 Q CB -0.137 28.549 28.738 -0.088 0.000 0.896 131 Q HN 0.279 nan 8.270 nan 0.000 0.428 132 L N 0.628 121.726 121.223 -0.208 0.000 2.127 132 L HA -0.186 4.154 4.340 -0.001 0.000 0.211 132 L C 2.625 179.263 176.870 -0.386 0.000 1.089 132 L CA 1.545 56.119 54.840 -0.444 0.000 0.757 132 L CB -0.851 40.951 42.059 -0.428 0.000 0.899 132 L HN 0.445 nan 8.230 nan 0.000 0.434 133 T N -2.805 111.683 114.554 -0.110 0.000 2.962 133 T HA -0.102 4.248 4.350 -0.001 0.000 0.270 133 T C 1.709 176.417 174.700 0.013 0.000 1.088 133 T CA 0.809 62.925 62.100 0.026 0.000 1.127 133 T CB -0.167 68.723 68.868 0.036 0.000 0.883 133 T HN 0.266 nan 8.240 nan 0.000 0.493 134 L N -0.501 120.694 121.223 -0.046 0.000 2.253 134 L HA 0.328 4.667 4.340 -0.001 0.000 0.205 134 L C 2.570 179.417 176.870 -0.038 0.000 1.078 134 L CA 0.337 55.161 54.840 -0.027 0.000 0.805 134 L CB -0.257 41.781 42.059 -0.034 0.000 0.963 134 L HN 0.205 nan 8.230 nan 0.000 0.459 135 L N -1.406 119.747 121.223 -0.117 0.000 2.109 135 L HA -0.192 4.147 4.340 -0.001 0.000 0.207 135 L C 2.494 179.341 176.870 -0.038 0.000 1.086 135 L CA 1.403 56.171 54.840 -0.120 0.000 0.760 135 L CB -0.587 41.346 42.059 -0.211 0.000 0.910 135 L HN 0.213 nan 8.230 nan 0.000 0.437 136 Y N 0.237 120.539 120.300 0.004 0.000 2.128 136 Y HA -0.211 4.338 4.550 -0.001 0.000 0.284 136 Y C 0.048 175.960 175.900 0.020 0.000 1.154 136 Y CA 0.890 58.996 58.100 0.010 0.000 1.149 136 Y CB -1.504 36.961 38.460 0.008 0.000 0.976 136 Y HN 0.228 nan 8.280 nan 0.000 0.505 137 P HA -0.174 nan 4.420 nan 0.000 0.217 137 P C 1.253 178.607 177.300 0.091 0.000 1.150 137 P CA 1.616 64.784 63.100 0.114 0.000 0.832 137 P CB 0.035 31.785 31.700 0.084 0.000 0.787 138 K N 0.844 121.285 120.400 0.068 0.000 2.057 138 K HA -0.197 4.122 4.320 -0.001 0.000 0.207 138 K C 2.083 178.720 176.600 0.061 0.000 1.049 138 K CA 1.698 58.014 56.287 0.047 0.000 0.931 138 K CB -0.851 31.660 32.500 0.017 0.000 0.714 138 K HN 0.076 nan 8.250 nan 0.000 0.440 139 E N -0.454 119.794 120.200 0.080 0.000 2.051 139 E HA -0.208 4.141 4.350 -0.001 0.000 0.192 139 E C 1.766 178.439 176.600 0.122 0.000 0.991 139 E CA 1.264 57.718 56.400 0.090 0.000 0.799 139 E CB -0.276 29.496 29.700 0.120 0.000 0.748 139 E HN 0.365 nan 8.360 nan 0.000 0.449 140 A N 1.383 124.286 122.820 0.138 0.000 1.902 140 A HA -0.243 4.077 4.320 -0.001 0.000 0.217 140 A C 2.234 179.914 177.584 0.160 0.000 1.181 140 A CA 1.707 53.844 52.037 0.168 0.000 0.623 140 A CB -0.673 18.412 19.000 0.142 0.000 0.818 140 A HN 0.393 nan 8.150 nan 0.000 0.443 141 Q N -0.582 119.284 119.800 0.110 0.000 2.046 141 Q HA -0.153 4.187 4.340 -0.001 0.000 0.200 141 Q C 1.992 178.035 176.000 0.073 0.000 0.975 141 Q CA 1.595 57.446 55.803 0.080 0.000 0.836 141 Q CB -0.409 28.364 28.738 0.059 0.000 0.896 141 Q HN 0.447 nan 8.270 nan 0.000 0.428 142 L N 1.691 122.961 121.223 0.079 0.000 2.046 142 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 142 L C 2.454 179.404 176.870 0.133 0.000 1.077 142 L CA 2.113 57.001 54.840 0.079 0.000 0.747 142 L CB -0.803 41.284 42.059 0.046 0.000 0.896 142 L HN 0.366 nan 8.230 nan 0.000 0.432 143 E N -0.704 119.602 120.200 0.177 0.000 2.051 143 E HA -0.293 4.057 4.350 -0.001 0.000 0.192 143 E C 2.112 178.859 176.600 0.245 0.000 0.991 143 E CA 1.501 58.094 56.400 0.321 0.000 0.799 143 E CB -0.075 29.875 29.700 0.415 0.000 0.748 143 E HN 0.594 nan 8.360 nan 0.000 0.449 144 E N 0.303 120.489 120.200 -0.024 0.000 2.072 144 E HA -0.273 4.076 4.350 -0.001 0.000 0.191 144 E C 2.214 178.692 176.600 -0.204 0.000 0.985 144 E CA 1.206 57.310 56.400 -0.493 0.000 0.801 144 E CB -0.071 29.423 29.700 -0.343 0.000 0.750 144 E HN 0.309 nan 8.360 nan 0.000 0.452 145 Q N -0.239 119.540 119.800 -0.035 0.000 2.096 145 Q HA -0.233 4.107 4.340 -0.001 0.000 0.204 145 Q C 2.012 178.028 176.000 0.026 0.000 0.982 145 Q CA 1.917 57.722 55.803 0.005 0.000 0.850 145 Q CB -0.291 28.476 28.738 0.048 0.000 0.901 145 Q HN 0.427 nan 8.270 nan 0.000 0.422 146 F N -0.233 119.681 119.950 -0.059 0.000 2.060 146 F HA -0.249 4.278 4.527 -0.000 0.000 0.295 146 F C 1.629 177.323 175.800 -0.177 0.000 1.120 146 F CA 1.531 59.469 58.000 -0.102 0.000 1.205 146 F CB -0.377 38.569 39.000 -0.091 0.000 0.986 146 F HN 0.095 nan 8.300 nan 0.000 0.470 147 Y N 0.780 120.955 120.300 -0.209 0.000 2.224 147 Y HA -0.197 4.353 4.550 -0.001 0.000 0.289 147 Y C 2.325 178.057 175.900 -0.280 0.000 1.146 147 Y CA 1.561 59.472 58.100 -0.314 0.000 1.182 147 Y CB -0.831 37.611 38.460 -0.029 0.000 0.983 147 Y HN 0.102 nan 8.280 nan 0.000 0.524 148 L N -0.696 120.461 121.223 -0.110 0.000 2.079 148 L HA -0.266 4.074 4.340 -0.001 0.000 0.210 148 L C 2.466 179.278 176.870 -0.097 0.000 1.081 148 L CA 1.352 56.145 54.840 -0.079 0.000 0.752 148 L CB -0.317 41.696 42.059 -0.077 0.000 0.896 148 L HN 0.202 nan 8.230 nan 0.000 0.433 149 R N -0.630 119.770 120.500 -0.167 0.000 2.064 149 R HA 0.097 4.437 4.340 -0.001 0.000 0.221 149 R C 2.349 178.508 176.300 -0.236 0.000 1.136 149 R CA 1.135 57.138 56.100 -0.161 0.000 0.980 149 R CB -0.653 29.566 30.300 -0.134 0.000 0.876 149 R HN 0.257 nan 8.270 nan 0.000 0.437 150 A N 1.768 124.299 122.820 -0.481 0.000 1.940 150 A HA -0.106 4.213 4.320 -0.001 0.000 0.219 150 A C 2.207 179.610 177.584 -0.303 0.000 1.176 150 A CA 1.204 52.908 52.037 -0.554 0.000 0.631 150 A CB -0.655 17.562 19.000 -1.304 0.000 0.814 150 A HN 0.176 nan 8.150 nan 0.000 0.446 151 L N -1.377 119.720 121.223 -0.210 0.000 2.551 151 L HA -0.044 4.295 4.340 -0.001 0.000 0.228 151 L C 2.239 179.105 176.870 -0.007 0.000 1.153 151 L CA 0.569 55.361 54.840 -0.079 0.000 0.851 151 L CB -0.244 41.818 42.059 0.005 0.000 0.959 151 L HN 0.335 nan 8.230 nan 0.000 0.451 152 R N -0.813 119.673 120.500 -0.022 0.000 2.334 152 R HA 0.145 4.485 4.340 -0.001 0.000 0.216 152 R C -0.173 176.152 176.300 0.041 0.000 0.905 152 R CA -0.398 55.719 56.100 0.028 0.000 1.064 152 R CB 0.390 30.691 30.300 0.003 0.000 1.046 152 R HN 0.063 nan 8.270 nan 0.000 0.508 153 L N 2.492 123.731 121.223 0.027 0.000 2.397 153 L HA 0.247 4.586 4.340 -0.001 0.000 0.271 153 L C -1.846 175.115 176.870 0.152 0.000 1.148 153 L CA -2.193 52.672 54.840 0.043 0.000 0.825 153 L CB 0.606 42.660 42.059 -0.008 0.000 1.117 153 L HN -0.052 nan 8.230 nan 0.000 0.456 154 P HA 0.144 nan 4.420 nan 0.000 0.279 154 P C -0.641 176.741 177.300 0.136 0.000 1.276 154 P CA -0.678 62.467 63.100 0.075 0.000 0.801 154 P CB 0.763 32.449 31.700 -0.024 0.000 1.127 155 N N -0.062 118.649 118.700 0.019 0.000 2.317 155 N HA 0.028 4.767 4.740 -0.001 0.000 0.245 155 N C 0.167 175.731 175.510 0.090 0.000 1.294 155 N CA 0.119 53.244 53.050 0.124 0.000 0.924 155 N CB -0.117 38.355 38.487 -0.024 0.000 1.186 155 N HN 0.255 nan 8.380 nan 0.000 0.495 156 Q N -0.620 119.267 119.800 0.145 0.000 2.500 156 Q HA 0.323 4.663 4.340 -0.001 0.000 0.215 156 Q C -0.510 175.599 176.000 0.182 0.000 1.062 156 Q CA 0.387 56.291 55.803 0.168 0.000 0.996 156 Q CB 0.335 29.202 28.738 0.215 0.000 1.239 156 Q HN 0.497 nan 8.270 nan 0.000 0.578 157 T N 0.478 115.053 114.554 0.035 0.000 2.824 157 T HA 0.165 4.514 4.350 -0.001 0.000 0.282 157 T C -0.796 173.625 174.700 -0.465 0.000 0.993 157 T CA -0.639 61.338 62.100 -0.204 0.000 0.967 157 T CB 0.703 69.496 68.868 -0.125 0.000 0.960 157 T HN 0.441 nan 8.240 nan 0.000 0.441 158 H N 4.279 122.692 119.070 -1.095 0.000 2.928 158 H HA 0.059 4.614 4.556 -0.001 0.000 0.338 158 H C -1.846 173.257 175.328 -0.374 0.000 1.047 158 H CA -1.274 54.186 56.048 -0.980 0.000 1.435 158 H CB 1.212 30.437 29.762 -0.896 0.000 1.428 158 H HN 0.289 nan 8.280 nan 0.000 0.590 159 P HA -0.128 nan 4.420 nan 0.000 0.218 159 P C 0.489 177.820 177.300 0.051 0.000 1.146 159 P CA 1.315 64.352 63.100 -0.105 0.000 0.813 159 P CB 0.350 31.955 31.700 -0.159 0.000 0.778 160 D N -1.636 118.940 120.400 0.293 0.000 2.339 160 D HA 0.026 4.665 4.640 -0.001 0.000 0.217 160 D C 0.255 176.572 176.300 0.028 0.000 1.050 160 D CA 0.166 54.255 54.000 0.148 0.000 0.856 160 D CB -0.099 40.796 40.800 0.159 0.000 0.922 160 D HN 0.008 nan 8.370 nan 0.000 0.518 161 V N 2.977 122.883 119.914 -0.012 0.000 2.540 161 V HA 0.025 4.144 4.120 -0.001 0.000 0.297 161 V C -1.896 174.167 176.094 -0.052 0.000 1.024 161 V CA -0.923 61.328 62.300 -0.082 0.000 1.105 161 V CB 0.405 32.150 31.823 -0.130 0.000 0.938 161 V HN -0.049 nan 8.190 nan 0.000 0.482 162 P HA 0.121 nan 4.420 nan 0.000 0.268 162 P C -0.536 176.743 177.300 -0.036 0.000 1.205 162 P CA -0.070 63.010 63.100 -0.033 0.000 0.771 162 P CB 0.467 32.150 31.700 -0.028 0.000 0.858 163 V N 3.450 123.347 119.914 -0.028 0.000 2.498 163 V HA 0.663 4.782 4.120 -0.001 0.000 0.279 163 V C 0.932 177.012 176.094 -0.023 0.000 1.048 163 V CA 1.080 63.364 62.300 -0.027 0.000 0.967 163 V CB 0.142 31.952 31.823 -0.022 0.000 0.988 163 V HN 1.025 nan 8.190 nan 0.000 0.473 164 G N 4.281 113.066 108.800 -0.024 0.000 2.316 164 G HA2 -0.006 3.954 3.960 -0.001 0.000 0.349 164 G HA3 -0.006 3.954 3.960 -0.001 0.000 0.349 164 G C -0.850 174.038 174.900 -0.019 0.000 1.274 164 G CA -0.234 44.855 45.100 -0.019 0.000 1.018 164 G HN 0.835 nan 8.290 nan 0.000 0.486 165 D N -0.313 120.078 120.400 -0.014 0.000 2.398 165 D HA 0.168 4.808 4.640 -0.001 0.000 0.247 165 D C 1.071 177.364 176.300 -0.011 0.000 1.227 165 D CA 0.230 54.223 54.000 -0.011 0.000 0.980 165 D CB 1.266 42.062 40.800 -0.007 0.000 1.106 165 D HN 0.631 nan 8.370 nan 0.000 0.493 166 E N -0.344 119.852 120.200 -0.007 0.000 2.147 166 E HA -0.267 4.083 4.350 -0.001 0.000 0.199 166 E C 1.924 178.523 176.600 -0.002 0.000 1.005 166 E CA 1.806 58.204 56.400 -0.003 0.000 0.810 166 E CB -0.083 29.621 29.700 0.006 0.000 0.736 166 E HN 0.552 nan 8.360 nan 0.000 0.460 167 S N -0.196 115.503 115.700 -0.002 0.000 2.507 167 S HA -0.102 4.368 4.470 -0.001 0.000 0.235 167 S C 1.473 176.067 174.600 -0.010 0.000 0.988 167 S CA 0.547 58.745 58.200 -0.003 0.000 0.944 167 S CB 0.106 63.305 63.200 -0.001 0.000 0.762 167 S HN 0.211 nan 8.310 nan 0.000 0.526 168 Q N 1.088 120.881 119.800 -0.012 0.000 2.320 168 Q HA 0.463 4.802 4.340 -0.001 0.000 0.201 168 Q C 0.652 176.641 176.000 -0.019 0.000 0.910 168 Q CA 0.331 56.124 55.803 -0.017 0.000 0.946 168 Q CB -0.208 28.519 28.738 -0.017 0.000 1.062 168 Q HN 0.713 nan 8.270 nan 0.000 0.503 169 A N 1.599 124.409 122.820 -0.017 0.000 2.531 169 A HA 0.197 4.517 4.320 -0.001 0.000 0.236 169 A C 0.229 177.799 177.584 -0.023 0.000 1.062 169 A CA -0.095 51.932 52.037 -0.015 0.000 0.760 169 A CB 0.144 19.139 19.000 -0.008 0.000 0.995 169 A HN 0.129 nan 8.150 nan 0.000 0.501 170 R N 1.915 122.404 120.500 -0.019 0.000 2.265 170 R HA 0.460 4.800 4.340 -0.001 0.000 0.319 170 R C -1.017 175.255 176.300 -0.046 0.000 1.006 170 R CA -0.301 55.779 56.100 -0.033 0.000 0.880 170 R CB 0.837 31.120 30.300 -0.028 0.000 1.077 170 R HN 0.452 nan 8.270 nan 0.000 0.454 171 V N 7.718 127.587 119.914 -0.074 0.000 2.439 171 V HA 0.056 4.175 4.120 -0.001 0.000 0.271 171 V C 1.199 177.208 176.094 -0.141 0.000 1.040 171 V CA 0.113 62.352 62.300 -0.101 0.000 1.002 171 V CB 0.706 32.456 31.823 -0.121 0.000 1.000 171 V HN 0.793 nan 8.190 nan 0.000 0.477 172 L N 4.368 125.482 121.223 -0.183 0.000 2.253 172 L HA 0.278 4.617 4.340 -0.001 0.000 0.205 172 L C 0.568 177.029 176.870 -0.681 0.000 1.078 172 L CA 0.690 55.287 54.840 -0.405 0.000 0.805 172 L CB -0.005 41.804 42.059 -0.417 0.000 0.963 172 L HN 0.650 nan 8.230 nan 0.000 0.459 173 H N -1.256 117.775 119.070 -0.065 0.000 3.046 173 H HA 0.477 5.033 4.556 -0.001 0.000 0.363 173 H C -1.310 173.947 175.328 -0.119 0.000 1.203 173 H CA -0.548 55.453 56.048 -0.078 0.000 1.169 173 H CB 2.619 32.349 29.762 -0.052 0.000 1.851 173 H HN -0.347 nan 8.280 nan 0.000 0.546 174 V N 2.784 122.686 119.914 -0.019 0.000 2.443 174 V HA 0.265 4.385 4.120 -0.001 0.000 0.293 174 V C -0.205 175.784 176.094 -0.174 0.000 1.021 174 V CA -0.721 61.510 62.300 -0.114 0.000 0.848 174 V CB 1.926 33.715 31.823 -0.057 0.000 0.998 174 V HN 0.435 nan 8.190 nan 0.000 0.424 175 V N 4.437 124.098 119.914 -0.421 0.000 2.459 175 V HA 0.940 5.060 4.120 -0.001 0.000 0.295 175 V C 0.787 176.789 176.094 -0.154 0.000 1.029 175 V CA 0.562 62.587 62.300 -0.458 0.000 0.874 175 V CB 1.013 32.213 31.823 -1.038 0.000 0.985 175 V HN 1.320 nan 8.190 nan 0.000 0.438 176 G N 4.142 112.899 108.800 -0.071 0.000 2.698 176 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.233 176 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.233 176 G C -0.878 173.871 174.900 -0.251 0.000 1.352 176 G CA 0.269 45.335 45.100 -0.057 0.000 0.879 176 G HN 0.847 nan 8.290 nan 0.000 0.567 177 D N -0.649 119.409 120.400 -0.569 0.000 2.596 177 D HA 0.458 5.098 4.640 -0.001 0.000 0.262 177 D C -0.161 175.551 176.300 -0.981 0.000 1.210 177 D CA -0.697 52.712 54.000 -0.984 0.000 0.873 177 D CB 1.278 41.801 40.800 -0.460 0.000 1.408 177 D HN 0.542 nan 8.370 nan 0.000 0.441 178 K N 1.413 121.300 120.400 -0.855 0.000 2.448 178 K HA 0.261 4.581 4.320 -0.001 0.000 0.278 178 K C -2.098 174.328 176.600 -0.290 0.000 1.009 178 K CA -0.870 55.109 56.287 -0.513 0.000 0.995 178 K CB 0.126 32.280 32.500 -0.576 0.000 0.917 178 K HN 0.155 nan 8.250 nan 0.000 0.481 179 P HA 0.009 nan 4.420 nan 0.000 0.271 179 P C -1.233 175.743 177.300 -0.539 0.000 1.216 179 P CA -0.108 62.763 63.100 -0.382 0.000 0.776 179 P CB 0.887 32.340 31.700 -0.411 0.000 0.881 180 A N 3.166 125.631 122.820 -0.592 0.000 2.290 180 A HA 0.681 5.000 4.320 -0.001 0.000 0.310 180 A C -0.821 176.352 177.584 -0.686 0.000 1.202 180 A CA -0.315 51.447 52.037 -0.458 0.000 0.837 180 A CB -0.088 18.759 19.000 -0.256 0.000 1.139 180 A HN 0.408 nan 8.150 nan 0.000 0.509 181 F N 0.714 120.557 119.950 -0.178 0.000 2.598 181 F HA 0.455 4.982 4.527 -0.001 0.000 0.327 181 F C 1.401 177.096 175.800 -0.175 0.000 1.057 181 F CA -0.135 57.693 58.000 -0.287 0.000 0.957 181 F CB 2.358 40.904 39.000 -0.758 0.000 1.278 181 F HN 0.545 nan 8.300 nan 0.000 0.484 182 S N 0.057 115.870 115.700 0.189 0.000 2.572 182 S HA 0.338 4.807 4.470 -0.001 0.000 0.228 182 S C -0.466 174.324 174.600 0.315 0.000 0.963 182 S CA -0.215 58.121 58.200 0.227 0.000 0.939 182 S CB -0.939 62.415 63.200 0.256 0.000 0.804 182 S HN 0.489 nan 8.310 nan 0.000 0.480 183 F N -1.260 118.765 119.950 0.125 0.000 2.711 183 F HA 0.736 5.263 4.527 -0.001 0.000 0.313 183 F C -0.860 174.955 175.800 0.025 0.000 1.141 183 F CA -1.763 56.270 58.000 0.054 0.000 0.941 183 F CB 0.672 39.687 39.000 0.025 0.000 1.349 183 F HN -0.123 nan 8.300 nan 0.000 0.464 184 Q N 4.179 123.989 119.800 0.016 0.000 2.281 184 Q HA 0.358 4.697 4.340 -0.001 0.000 0.267 184 Q C -2.585 173.267 176.000 -0.246 0.000 1.053 184 Q CA -1.940 53.794 55.803 -0.115 0.000 0.905 184 Q CB 0.645 29.376 28.738 -0.012 0.000 1.195 184 Q HN 0.411 nan 8.270 nan 0.000 0.398 185 P HA 0.027 nan 4.420 nan 0.000 0.268 185 P C -0.906 176.234 177.300 -0.266 0.000 1.204 185 P CA 0.147 62.841 63.100 -0.676 0.000 0.768 185 P CB 0.756 31.867 31.700 -0.982 0.000 0.842 186 R N 1.287 121.706 120.500 -0.135 0.000 2.553 186 R HA 0.586 4.926 4.340 -0.001 0.000 0.263 186 R C 1.078 177.317 176.300 -0.102 0.000 1.066 186 R CA -0.386 55.666 56.100 -0.080 0.000 1.135 186 R CB 0.271 30.556 30.300 -0.024 0.000 1.148 186 R HN 0.517 nan 8.270 nan 0.000 0.558 187 G N -0.166 108.576 108.800 -0.096 0.000 2.539 187 G HA2 0.006 3.965 3.960 -0.001 0.000 0.258 187 G HA3 0.006 3.965 3.960 -0.001 0.000 0.258 187 G C 0.689 175.539 174.900 -0.085 0.000 1.202 187 G CA -0.374 44.671 45.100 -0.091 0.000 0.851 187 G HN 0.963 nan 8.290 nan 0.000 0.556 188 H N 1.161 120.190 119.070 -0.068 0.000 2.422 188 H HA -0.124 4.432 4.556 -0.001 0.000 0.298 188 H C 2.161 177.474 175.328 -0.025 0.000 1.098 188 H CA 1.307 57.330 56.048 -0.043 0.000 1.315 188 H CB -0.220 29.513 29.762 -0.048 0.000 1.382 188 H HN 0.334 nan 8.280 nan 0.000 0.523 189 L N 1.441 122.242 121.223 -0.702 0.000 2.056 189 L HA -0.100 4.240 4.340 -0.001 0.000 0.207 189 L C 2.759 179.527 176.870 -0.171 0.000 1.078 189 L CA 2.038 56.648 54.840 -0.383 0.000 0.749 189 L CB -0.773 41.063 42.059 -0.372 0.000 0.901 189 L HN 0.371 nan 8.230 nan 0.000 0.433 190 E N -0.400 119.701 120.200 -0.166 0.000 2.051 190 E HA -0.233 4.117 4.350 -0.001 0.000 0.192 190 E C 2.280 178.842 176.600 -0.063 0.000 0.991 190 E CA 1.661 57.998 56.400 -0.106 0.000 0.799 190 E CB -0.200 29.439 29.700 -0.102 0.000 0.748 190 E HN 0.601 nan 8.360 nan 0.000 0.449 191 I N 1.035 121.576 120.570 -0.047 0.000 2.163 191 I HA -0.295 3.875 4.170 -0.001 0.000 0.243 191 I C 2.608 178.728 176.117 0.006 0.000 1.085 191 I CA 1.269 62.563 61.300 -0.009 0.000 1.347 191 I CB -0.358 37.655 38.000 0.022 0.000 1.044 191 I HN 0.191 nan 8.210 nan 0.000 0.408 192 A N 0.201 123.028 122.820 0.013 0.000 1.930 192 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 192 A C 2.193 179.798 177.584 0.034 0.000 1.175 192 A CA 1.425 53.485 52.037 0.038 0.000 0.627 192 A CB -0.504 18.533 19.000 0.062 0.000 0.815 192 A HN 0.444 nan 8.150 nan 0.000 0.443 193 E N -0.001 120.206 120.200 0.010 0.000 2.106 193 E HA -0.162 4.188 4.350 -0.001 0.000 0.192 193 E C 1.925 178.528 176.600 0.006 0.000 0.984 193 E CA 1.169 57.577 56.400 0.014 0.000 0.806 193 E CB -0.133 29.560 29.700 -0.013 0.000 0.750 193 E HN 0.574 nan 8.360 nan 0.000 0.458 194 K N 0.447 120.841 120.400 -0.010 0.000 2.148 194 K HA -0.066 4.253 4.320 -0.001 0.000 0.204 194 K C 1.840 178.434 176.600 -0.011 0.000 1.050 194 K CA 0.795 57.070 56.287 -0.019 0.000 0.942 194 K CB 0.047 32.530 32.500 -0.029 0.000 0.724 194 K HN 0.135 nan 8.250 nan 0.000 0.446 195 L N 0.539 121.766 121.223 0.007 0.000 2.592 195 L HA 0.036 4.376 4.340 -0.001 0.000 0.227 195 L C -0.081 176.819 176.870 0.049 0.000 1.127 195 L CA -0.138 54.713 54.840 0.018 0.000 0.884 195 L CB -0.140 41.937 42.059 0.030 0.000 1.065 195 L HN 0.194 nan 8.230 nan 0.000 0.457 196 D N 1.031 121.467 120.400 0.060 0.000 2.686 196 D HA -0.233 4.407 4.640 -0.001 0.000 0.235 196 D C 0.844 177.224 176.300 0.134 0.000 1.160 196 D CA 0.852 54.919 54.000 0.112 0.000 0.645 196 D CB -0.699 40.206 40.800 0.175 0.000 1.039 196 D HN 0.600 nan 8.370 nan 0.000 0.423 197 I N -3.381 117.253 120.570 0.106 0.000 4.181 197 I HA 0.316 4.486 4.170 -0.001 0.000 0.331 197 I C 0.574 176.766 176.117 0.125 0.000 1.312 197 I CA -0.233 61.132 61.300 0.107 0.000 1.146 197 I CB 0.321 38.371 38.000 0.085 0.000 1.074 197 I HN -0.033 nan 8.210 nan 0.000 0.402 198 I N 1.916 122.565 120.570 0.132 0.000 2.619 198 I HA 0.463 4.633 4.170 -0.001 0.000 0.292 198 I C -0.721 175.507 176.117 0.184 0.000 1.100 198 I CA -0.636 60.768 61.300 0.174 0.000 1.043 198 I CB 2.566 40.652 38.000 0.143 0.000 1.239 198 I HN 0.095 nan 8.210 nan 0.000 0.420 199 R N 4.927 125.582 120.500 0.258 0.000 2.575 199 R HA 0.499 4.838 4.340 -0.001 0.000 0.293 199 R C -0.630 175.870 176.300 0.333 0.000 0.983 199 R CA -0.281 55.967 56.100 0.246 0.000 0.887 199 R CB 1.883 32.294 30.300 0.186 0.000 1.184 199 R HN 0.752 nan 8.270 nan 0.000 0.445 200 Q N 1.615 121.603 119.800 0.314 0.000 2.171 200 Q HA 0.172 4.511 4.340 -0.001 0.000 0.250 200 Q C -0.414 175.831 176.000 0.409 0.000 0.791 200 Q CA -0.079 55.947 55.803 0.370 0.000 0.950 200 Q CB 1.265 30.253 28.738 0.417 0.000 1.151 200 Q HN 0.453 nan 8.270 nan 0.000 0.480 201 K N 1.646 122.260 120.400 0.357 0.000 2.295 201 K HA 0.192 4.511 4.320 -0.001 0.000 0.270 201 K C -0.102 176.603 176.600 0.175 0.000 1.011 201 K CA -0.259 56.206 56.287 0.296 0.000 0.953 201 K CB 0.542 33.116 32.500 0.122 0.000 0.956 201 K HN -0.009 nan 8.250 nan 0.000 0.477 202 R N 1.592 122.169 120.500 0.128 0.000 3.336 202 R HA -0.194 4.145 4.340 -0.001 0.000 0.260 202 R C -0.033 176.321 176.300 0.090 0.000 1.032 202 R CA 0.513 56.635 56.100 0.036 0.000 0.693 202 R CB -2.175 28.086 30.300 -0.065 0.000 1.134 202 R HN 0.673 nan 8.270 nan 0.000 0.433 203 L N -1.110 120.177 121.223 0.108 0.000 3.086 203 L HA 0.035 4.375 4.340 -0.001 0.000 0.274 203 L C 1.966 178.841 176.870 0.009 0.000 1.184 203 L CA 0.691 55.595 54.840 0.106 0.000 1.002 203 L CB 0.429 42.596 42.059 0.179 0.000 1.383 203 L HN 0.266 nan 8.230 nan 0.000 0.582 204 S N -0.522 115.126 115.700 -0.086 0.000 2.380 204 S HA -0.226 4.243 4.470 -0.001 0.000 0.229 204 S C 1.487 175.821 174.600 -0.444 0.000 1.043 204 S CA 1.298 59.296 58.200 -0.336 0.000 1.038 204 S CB -0.464 62.464 63.200 -0.452 0.000 0.872 204 S HN 0.468 nan 8.310 nan 0.000 0.456 205 H N -0.111 118.963 119.070 0.005 0.000 2.520 205 H HA 0.506 5.062 4.556 -0.001 0.000 0.284 205 H C 1.326 176.667 175.328 0.021 0.000 1.037 205 H CA 0.178 56.228 56.048 0.004 0.000 1.168 205 H CB 0.331 30.107 29.762 0.024 0.000 1.497 205 H HN 0.356 nan 8.280 nan 0.000 0.547 206 V N 0.132 120.099 119.914 0.088 0.000 2.721 206 V HA -0.032 4.088 4.120 -0.001 0.000 0.236 206 V C 1.671 177.798 176.094 0.054 0.000 1.116 206 V CA 1.490 63.846 62.300 0.094 0.000 1.148 206 V CB 0.314 32.218 31.823 0.134 0.000 0.886 206 V HN 0.393 nan 8.190 nan 0.000 0.490 207 S N -1.017 114.707 115.700 0.041 0.000 2.733 207 S HA 0.565 5.035 4.470 -0.001 0.000 0.247 207 S C 0.761 175.353 174.600 -0.014 0.000 1.043 207 S CA 0.365 58.563 58.200 -0.002 0.000 1.066 207 S CB 1.052 64.243 63.200 -0.015 0.000 1.045 207 S HN 1.301 nan 8.310 nan 0.000 0.586 208 G N 1.814 110.581 108.800 -0.055 0.000 2.756 208 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.678 208 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.678 208 G C -0.875 174.001 174.900 -0.039 0.000 1.349 208 G CA -0.873 44.150 45.100 -0.129 0.000 0.847 208 G HN 0.459 nan 8.290 nan 0.000 0.548 209 H N 1.101 120.167 119.070 -0.007 0.000 2.897 209 H HA 0.286 4.841 4.556 -0.001 0.000 0.347 209 H C 1.861 177.223 175.328 0.057 0.000 1.068 209 H CA 1.010 57.026 56.048 -0.053 0.000 1.426 209 H CB 0.451 30.178 29.762 -0.057 0.000 1.410 209 H HN 0.808 nan 8.280 nan 0.000 0.597 210 R N -0.856 119.660 120.500 0.027 0.000 3.862 210 R HA -0.189 4.150 4.340 -0.001 0.000 0.470 210 R C 0.525 176.922 176.300 0.161 0.000 0.879 210 R CA 1.111 57.206 56.100 -0.008 0.000 1.508 210 R CB -1.749 28.472 30.300 -0.132 0.000 2.170 210 R HN 0.713 nan 8.270 nan 0.000 0.496 211 S N 0.656 116.500 115.700 0.241 0.000 2.580 211 S HA 0.358 4.827 4.470 -0.001 0.000 0.266 211 S C -0.096 174.727 174.600 0.372 0.000 1.354 211 S CA 0.217 58.618 58.200 0.335 0.000 1.008 211 S CB 0.616 63.944 63.200 0.213 0.000 0.898 211 S HN 0.374 nan 8.310 nan 0.000 0.555 212 Y N -2.788 117.667 120.300 0.258 0.000 2.677 212 Y HA 0.699 5.249 4.550 -0.001 0.000 0.334 212 Y C -1.928 174.038 175.900 0.110 0.000 1.196 212 Y CA -1.814 56.400 58.100 0.190 0.000 1.059 212 Y CB 0.447 38.978 38.460 0.119 0.000 1.315 212 Y HN 0.627 nan 8.280 nan 0.000 0.455 213 Y N 1.450 121.890 120.300 0.232 0.000 2.468 213 Y HA 0.694 5.243 4.550 -0.001 0.000 0.342 213 Y C -1.074 174.958 175.900 0.221 0.000 1.021 213 Y CA -1.094 57.086 58.100 0.133 0.000 1.079 213 Y CB 2.001 40.515 38.460 0.088 0.000 1.226 213 Y HN 0.541 nan 8.280 nan 0.000 0.460 214 L N 3.594 125.000 121.223 0.306 0.000 2.322 214 L HA 0.587 4.927 4.340 -0.001 0.000 0.281 214 L C -0.519 176.449 176.870 0.164 0.000 1.014 214 L CA -0.798 54.175 54.840 0.221 0.000 0.815 214 L CB 1.678 43.831 42.059 0.156 0.000 1.247 214 L HN 0.648 nan 8.230 nan 0.000 0.421 215 R N 1.591 122.169 120.500 0.130 0.000 2.744 215 R HA 0.671 5.011 4.340 -0.001 0.000 0.279 215 R C 0.559 176.906 176.300 0.078 0.000 0.977 215 R CA 0.222 56.377 56.100 0.093 0.000 0.906 215 R CB 1.647 31.991 30.300 0.073 0.000 1.197 215 R HN 0.757 nan 8.270 nan 0.000 0.463 216 G N 1.925 110.763 108.800 0.064 0.000 2.660 216 G HA2 -0.483 3.476 3.960 -0.001 0.000 0.321 216 G HA3 -0.483 3.476 3.960 -0.001 0.000 0.321 216 G C 0.909 175.851 174.900 0.071 0.000 1.246 216 G CA 0.950 46.093 45.100 0.073 0.000 1.000 216 G HN 0.955 nan 8.290 nan 0.000 0.550 217 A N -0.122 122.741 122.820 0.071 0.000 2.032 217 A HA 0.174 4.493 4.320 -0.001 0.000 0.221 217 A C 2.917 180.525 177.584 0.040 0.000 1.165 217 A CA 2.720 54.791 52.037 0.056 0.000 0.645 217 A CB -1.155 17.877 19.000 0.052 0.000 0.807 217 A HN 2.116 nan 8.150 nan 0.000 0.453 218 G N -0.622 108.207 108.800 0.047 0.000 2.421 218 G HA2 0.020 3.979 3.960 -0.001 0.000 0.216 218 G HA3 0.020 3.979 3.960 -0.001 0.000 0.216 218 G C 1.730 176.623 174.900 -0.011 0.000 1.171 218 G CA 1.308 46.430 45.100 0.036 0.000 0.775 218 G HN 0.796 nan 8.290 nan 0.000 0.543 219 A N 0.442 123.248 122.820 -0.023 0.000 1.930 219 A HA 0.181 4.501 4.320 -0.001 0.000 0.217 219 A C 2.411 179.834 177.584 -0.268 0.000 1.175 219 A CA 1.010 52.946 52.037 -0.168 0.000 0.627 219 A CB -0.339 18.628 19.000 -0.055 0.000 0.815 219 A HN 0.343 nan 8.150 nan 0.000 0.443 220 L N -1.019 120.195 121.223 -0.015 0.000 2.131 220 L HA -0.160 4.179 4.340 -0.001 0.000 0.210 220 L C 2.432 179.319 176.870 0.029 0.000 1.092 220 L CA 0.532 55.426 54.840 0.091 0.000 0.759 220 L CB -0.480 41.647 42.059 0.113 0.000 0.903 220 L HN 0.296 nan 8.230 nan 0.000 0.435 221 L N -0.085 121.124 121.223 -0.023 0.000 2.056 221 L HA -0.231 4.108 4.340 -0.001 0.000 0.207 221 L C 2.620 179.444 176.870 -0.077 0.000 1.078 221 L CA 1.738 56.553 54.840 -0.040 0.000 0.749 221 L CB -0.893 41.145 42.059 -0.034 0.000 0.901 221 L HN 0.334 nan 8.230 nan 0.000 0.433 222 Q N -1.640 118.084 119.800 -0.127 0.000 2.050 222 Q HA -0.224 4.116 4.340 -0.001 0.000 0.202 222 Q C 2.192 178.134 176.000 -0.096 0.000 0.980 222 Q CA 1.513 57.237 55.803 -0.131 0.000 0.840 222 Q CB -0.093 28.542 28.738 -0.173 0.000 0.898 222 Q HN 0.524 nan 8.270 nan 0.000 0.424 223 H N -0.686 118.375 119.070 -0.015 0.000 2.352 223 H HA -0.078 4.478 4.556 -0.001 0.000 0.299 223 H C 2.008 177.253 175.328 -0.138 0.000 1.097 223 H CA 1.440 57.468 56.048 -0.033 0.000 1.311 223 H CB -0.726 29.048 29.762 0.020 0.000 1.377 223 H HN 0.524 nan 8.280 nan 0.000 0.504 224 G N 0.707 109.475 108.800 -0.053 0.000 2.404 224 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.215 224 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.215 224 G C 1.992 176.637 174.900 -0.427 0.000 1.174 224 G CA 0.570 45.435 45.100 -0.390 0.000 0.780 224 G HN 0.278 nan 8.290 nan 0.000 0.537 225 L N 0.158 121.267 121.223 -0.190 0.000 2.017 225 L HA -0.109 4.230 4.340 -0.001 0.000 0.208 225 L C 3.036 179.872 176.870 -0.057 0.000 1.073 225 L CA 0.650 55.425 54.840 -0.107 0.000 0.745 225 L CB -0.536 41.477 42.059 -0.076 0.000 0.894 225 L HN 0.096 nan 8.230 nan 0.000 0.432 226 V N 0.033 119.907 119.914 -0.067 0.000 2.295 226 V HA -0.274 3.846 4.120 -0.001 0.000 0.246 226 V C 2.214 178.263 176.094 -0.075 0.000 1.049 226 V CA 1.903 64.177 62.300 -0.043 0.000 1.024 226 V CB -0.645 31.176 31.823 -0.003 0.000 0.648 226 V HN 0.491 nan 8.190 nan 0.000 0.447 227 N N -0.435 118.181 118.700 -0.141 0.000 2.216 227 N HA -0.127 4.613 4.740 -0.001 0.000 0.183 227 N C 1.715 177.143 175.510 -0.137 0.000 1.017 227 N CA 1.459 54.428 53.050 -0.134 0.000 0.861 227 N CB -0.408 38.019 38.487 -0.100 0.000 0.986 227 N HN 0.569 nan 8.380 nan 0.000 0.428 228 F N 2.093 121.785 119.950 -0.430 0.000 2.102 228 F HA -0.172 4.355 4.527 -0.001 0.000 0.298 228 F C 2.175 177.914 175.800 -0.102 0.000 1.105 228 F CA 1.363 59.241 58.000 -0.202 0.000 1.239 228 F CB -0.519 38.346 39.000 -0.224 0.000 0.991 228 F HN -0.084 nan 8.300 nan 0.000 0.474 229 T N 1.698 116.194 114.554 -0.097 0.000 2.737 229 T HA -0.140 4.210 4.350 -0.001 0.000 0.265 229 T C 2.127 176.688 174.700 -0.233 0.000 1.038 229 T CA 1.694 63.679 62.100 -0.191 0.000 1.144 229 T CB -0.562 68.271 68.868 -0.059 0.000 0.866 229 T HN 0.246 nan 8.240 nan 0.000 0.434 230 L N 1.148 122.280 121.223 -0.152 0.000 2.017 230 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 230 L C 2.660 179.460 176.870 -0.116 0.000 1.073 230 L CA 1.383 56.149 54.840 -0.123 0.000 0.745 230 L CB -0.607 41.411 42.059 -0.068 0.000 0.894 230 L HN 0.281 nan 8.230 nan 0.000 0.432 231 N N 0.460 119.094 118.700 -0.111 0.000 2.069 231 N HA -0.264 4.475 4.740 -0.001 0.000 0.191 231 N C 1.828 177.269 175.510 -0.115 0.000 1.031 231 N CA 1.635 54.638 53.050 -0.079 0.000 0.852 231 N CB -0.061 38.401 38.487 -0.042 0.000 1.018 231 N HN 0.149 nan 8.380 nan 0.000 0.423 232 K N 0.136 120.376 120.400 -0.266 0.000 2.009 232 K HA -0.112 4.207 4.320 -0.001 0.000 0.210 232 K C 1.969 178.486 176.600 -0.138 0.000 1.049 232 K CA 1.351 57.485 56.287 -0.254 0.000 0.929 232 K CB -0.227 31.989 32.500 -0.474 0.000 0.714 232 K HN 0.237 nan 8.250 nan 0.000 0.440 233 L N 0.691 121.772 121.223 -0.237 0.000 2.093 233 L HA -0.134 4.205 4.340 -0.001 0.000 0.208 233 L C 2.461 179.321 176.870 -0.016 0.000 1.085 233 L CA 0.880 55.530 54.840 -0.316 0.000 0.755 233 L CB -0.315 41.343 42.059 -0.667 0.000 0.904 233 L HN 0.227 nan 8.230 nan 0.000 0.435 234 I N -0.686 119.889 120.570 0.009 0.000 2.286 234 I HA -0.316 3.854 4.170 -0.001 0.000 0.248 234 I C 2.576 178.767 176.117 0.123 0.000 1.115 234 I CA 1.227 62.581 61.300 0.089 0.000 1.392 234 I CB -0.333 37.699 38.000 0.053 0.000 1.065 234 I HN 0.288 nan 8.210 nan 0.000 0.418 235 H N 1.228 120.303 119.070 0.008 0.000 2.491 235 H HA -0.001 4.554 4.556 -0.001 0.000 0.290 235 H C 1.681 177.037 175.328 0.047 0.000 1.050 235 H CA 1.174 57.231 56.048 0.014 0.000 1.309 235 H CB 0.195 29.946 29.762 -0.019 0.000 1.392 235 H HN -0.017 nan 8.280 nan 0.000 0.554 236 R N -0.291 120.244 120.500 0.059 0.000 2.356 236 R HA 0.203 4.543 4.340 -0.001 0.000 0.234 236 R C 0.821 177.212 176.300 0.151 0.000 0.929 236 R CA 0.598 56.745 56.100 0.079 0.000 1.084 236 R CB -0.076 30.329 30.300 0.176 0.000 1.105 236 R HN 0.557 nan 8.270 nan 0.000 0.515 237 G N 0.708 109.580 108.800 0.119 0.000 2.141 237 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.231 237 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.231 237 G C -0.054 174.886 174.900 0.066 0.000 0.984 237 G CA -0.484 44.653 45.100 0.062 0.000 0.660 237 G HN 0.269 nan 8.290 nan 0.000 0.525 238 F N 1.535 121.484 119.950 -0.002 0.000 2.396 238 F HA 0.491 5.017 4.527 -0.001 0.000 0.343 238 F C 1.236 177.041 175.800 0.009 0.000 1.104 238 F CA -0.186 57.821 58.000 0.011 0.000 1.161 238 F CB 1.418 40.408 39.000 -0.016 0.000 1.146 238 F HN -0.063 nan 8.300 nan 0.000 0.522 239 T N 5.935 120.576 114.554 0.145 0.000 2.761 239 T HA 0.175 4.525 4.350 -0.001 0.000 0.296 239 T C -2.330 172.418 174.700 0.080 0.000 0.934 239 T CA -1.164 60.988 62.100 0.087 0.000 1.091 239 T CB 0.473 69.374 68.868 0.055 0.000 0.896 239 T HN 0.251 nan 8.240 nan 0.000 0.515 240 P HA 0.314 nan 4.420 nan 0.000 0.275 240 P C -0.831 176.445 177.300 -0.041 0.000 1.228 240 P CA -0.431 62.675 63.100 0.010 0.000 0.786 240 P CB 0.776 32.479 31.700 0.004 0.000 0.927 241 M N 1.393 120.954 119.600 -0.065 0.000 2.569 241 M HA 0.366 4.845 4.480 -0.001 0.000 0.279 241 M C -0.125 176.109 176.300 -0.111 0.000 1.253 241 M CA -0.429 54.792 55.300 -0.131 0.000 0.867 241 M CB 2.319 34.799 32.600 -0.199 0.000 1.727 241 M HN 0.375 nan 8.290 nan 0.000 0.467 242 T N -0.210 114.269 114.554 -0.125 0.000 2.861 242 T HA 0.857 5.207 4.350 -0.001 0.000 0.287 242 T C -0.435 174.197 174.700 -0.113 0.000 1.003 242 T CA -0.701 61.342 62.100 -0.095 0.000 0.977 242 T CB 1.762 70.589 68.868 -0.069 0.000 0.996 242 T HN 0.710 nan 8.240 nan 0.000 0.448 243 V N -0.240 119.617 119.914 -0.095 0.000 3.074 243 V HA 0.894 5.014 4.120 -0.001 0.000 0.314 243 V C -2.963 173.096 176.094 -0.058 0.000 1.117 243 V CA -2.733 59.511 62.300 -0.092 0.000 1.014 243 V CB 0.820 32.576 31.823 -0.112 0.000 1.057 243 V HN 0.789 nan 8.190 nan 0.000 0.438 244 P HA 0.394 nan 4.420 nan 0.000 0.271 244 P C -0.673 176.618 177.300 -0.015 0.000 1.218 244 P CA -0.017 63.066 63.100 -0.029 0.000 0.780 244 P CB 0.611 32.297 31.700 -0.024 0.000 0.901 245 D N 0.695 121.098 120.400 0.005 0.000 2.240 245 D HA 0.025 4.665 4.640 -0.001 0.000 0.206 245 D C 0.219 176.555 176.300 0.060 0.000 0.963 245 D CA 0.684 54.713 54.000 0.049 0.000 0.863 245 D CB -0.179 40.673 40.800 0.086 0.000 0.973 245 D HN 0.198 nan 8.370 nan 0.000 0.501 246 L N 1.429 122.664 121.223 0.021 0.000 2.260 246 L HA 0.432 4.772 4.340 -0.001 0.000 0.289 246 L C -0.678 176.235 176.870 0.071 0.000 1.057 246 L CA -0.367 54.494 54.840 0.034 0.000 0.811 246 L CB 0.737 42.774 42.059 -0.037 0.000 1.184 246 L HN -0.083 nan 8.230 nan 0.000 0.429 247 L N 2.852 124.179 121.223 0.174 0.000 2.350 247 L HA 0.571 4.910 4.340 -0.001 0.000 0.260 247 L C -0.221 176.815 176.870 0.275 0.000 1.015 247 L CA -0.942 54.008 54.840 0.184 0.000 0.821 247 L CB 1.914 44.034 42.059 0.103 0.000 1.370 247 L HN 0.383 nan 8.230 nan 0.000 0.416 248 R N 0.105 120.723 120.500 0.197 0.000 2.641 248 R HA 0.277 4.616 4.340 -0.001 0.000 0.269 248 R C 1.231 177.709 176.300 0.297 0.000 1.074 248 R CA 0.618 56.834 56.100 0.193 0.000 1.133 248 R CB 0.483 30.869 30.300 0.143 0.000 1.029 248 R HN 0.784 nan 8.270 nan 0.000 0.488 249 G N 0.734 109.664 108.800 0.217 0.000 2.462 249 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.220 249 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.220 249 G C 1.219 176.272 174.900 0.255 0.000 1.121 249 G CA 0.877 46.111 45.100 0.222 0.000 0.758 249 G HN 0.417 nan 8.290 nan 0.000 0.559 250 V N 0.676 120.684 119.914 0.157 0.000 2.392 250 V HA -0.197 3.922 4.120 -0.001 0.000 0.249 250 V C 2.918 179.046 176.094 0.057 0.000 1.059 250 V CA 2.204 64.535 62.300 0.053 0.000 1.051 250 V CB -0.246 31.480 31.823 -0.162 0.000 0.658 250 V HN 0.225 nan 8.190 nan 0.000 0.455 251 V N -0.387 119.576 119.914 0.081 0.000 2.358 251 V HA -0.205 3.914 4.120 -0.001 0.000 0.246 251 V C 2.218 178.321 176.094 0.014 0.000 1.047 251 V CA 2.425 64.728 62.300 0.004 0.000 1.035 251 V CB -0.993 30.778 31.823 -0.087 0.000 0.658 251 V HN 0.536 nan 8.190 nan 0.000 0.452 252 F N 0.798 120.778 119.950 0.050 0.000 2.102 252 F HA -0.154 4.372 4.527 -0.001 0.000 0.298 252 F C 2.537 178.385 175.800 0.080 0.000 1.105 252 F CA 1.917 59.957 58.000 0.067 0.000 1.239 252 F CB -0.593 38.443 39.000 0.060 0.000 0.991 252 F HN 0.169 nan 8.300 nan 0.000 0.474 253 E N 0.448 120.811 120.200 0.271 0.000 2.077 253 E HA -0.119 4.231 4.350 -0.001 0.000 0.193 253 E C 2.473 179.165 176.600 0.152 0.000 0.989 253 E CA 1.486 57.996 56.400 0.183 0.000 0.800 253 E CB -0.876 28.906 29.700 0.137 0.000 0.746 253 E HN 0.269 nan 8.360 nan 0.000 0.452 254 G N -0.474 108.392 108.800 0.110 0.000 2.432 254 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.219 254 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.219 254 G C 1.673 176.662 174.900 0.148 0.000 1.135 254 G CA 0.975 46.122 45.100 0.077 0.000 0.767 254 G HN 0.432 nan 8.290 nan 0.000 0.550 255 C N -0.006 119.396 119.300 0.169 0.000 2.500 255 C HA 0.450 4.910 4.460 -0.001 0.000 0.273 255 C C 2.171 177.325 174.990 0.274 0.000 1.428 255 C CA 0.390 59.532 59.018 0.207 0.000 1.766 255 C CB -0.832 26.985 27.740 0.128 0.000 1.817 255 C HN 0.838 nan 8.230 nan 0.000 0.543 256 G N 0.049 109.045 108.800 0.327 0.000 2.134 256 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.209 256 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.209 256 G C -0.130 174.873 174.900 0.171 0.000 0.993 256 G CA 0.013 45.309 45.100 0.326 0.000 0.669 256 G HN 0.455 nan 8.290 nan 0.000 0.519 257 M N 0.327 120.042 119.600 0.192 0.000 2.527 257 M HA 0.650 5.130 4.480 -0.001 0.000 0.283 257 M C 0.778 177.175 176.300 0.162 0.000 1.188 257 M CA 0.002 55.409 55.300 0.179 0.000 0.941 257 M CB 1.572 34.329 32.600 0.262 0.000 1.498 257 M HN 0.394 nan 8.290 nan 0.000 0.510 258 T N -2.728 111.899 114.554 0.121 0.000 3.064 258 T HA 0.379 4.729 4.350 -0.001 0.000 0.367 258 T C -2.485 172.227 174.700 0.021 0.000 1.202 258 T CA -1.700 60.445 62.100 0.075 0.000 1.133 258 T CB 0.525 69.423 68.868 0.050 0.000 1.074 258 T HN 0.270 nan 8.240 nan 0.000 0.519 259 P HA -0.121 nan 4.420 nan 0.000 0.218 259 P C 0.269 177.509 177.300 -0.099 0.000 1.150 259 P CA 1.313 64.334 63.100 -0.131 0.000 0.841 259 P CB 0.095 31.737 31.700 -0.097 0.000 0.784 260 N N -2.359 116.319 118.700 -0.038 0.000 2.827 260 N HA 0.425 5.165 4.740 -0.001 0.000 0.240 260 N C -0.935 174.571 175.510 -0.006 0.000 1.352 260 N CA -0.272 52.761 53.050 -0.028 0.000 0.760 260 N CB 0.221 38.695 38.487 -0.022 0.000 1.426 260 N HN -0.130 nan 8.380 nan 0.000 0.561 261 A N 1.884 124.701 122.820 -0.006 0.000 2.951 261 A HA 0.620 4.939 4.320 -0.001 0.000 0.239 261 A C 0.785 178.367 177.584 -0.002 0.000 1.623 261 A CA 0.069 52.108 52.037 0.004 0.000 0.868 261 A CB 0.385 19.390 19.000 0.008 0.000 1.712 261 A HN 0.422 nan 8.150 nan 0.000 0.558 262 K N -0.090 120.310 120.400 -0.000 0.000 2.102 262 K HA 0.202 4.521 4.320 -0.001 0.000 0.208 262 K C -1.893 174.703 176.600 -0.008 0.000 1.027 262 K CA 0.824 57.110 56.287 -0.002 0.000 0.958 262 K CB -0.894 31.608 32.500 0.002 0.000 0.819 262 K HN 0.557 nan 8.250 nan 0.000 0.453 263 P HA 0.181 nan 4.420 nan 0.000 0.292 263 P C -0.866 176.419 177.300 -0.025 0.000 1.326 263 P CA -0.098 62.995 63.100 -0.013 0.000 0.787 263 P CB 1.639 33.336 31.700 -0.005 0.000 0.903 264 S N 2.251 117.925 115.700 -0.044 0.000 2.562 264 S HA 0.090 4.560 4.470 -0.001 0.000 0.275 264 S C 1.150 175.692 174.600 -0.097 0.000 1.281 264 S CA -0.448 57.716 58.200 -0.061 0.000 1.045 264 S CB 0.478 63.634 63.200 -0.074 0.000 0.962 264 S HN 0.314 nan 8.310 nan 0.000 0.503 265 Q N 2.483 122.237 119.800 -0.075 0.000 2.451 265 Q HA 0.198 4.538 4.340 -0.001 0.000 0.206 265 Q C -0.276 175.639 176.000 -0.142 0.000 0.947 265 Q CA 0.540 56.292 55.803 -0.084 0.000 0.937 265 Q CB 0.080 28.817 28.738 -0.002 0.000 1.025 265 Q HN 0.665 nan 8.270 nan 0.000 0.511 266 I N 0.988 121.464 120.570 -0.158 0.000 2.336 266 I HA 0.130 4.299 4.170 -0.001 0.000 0.292 266 I C -0.638 175.367 176.117 -0.186 0.000 0.991 266 I CA -0.826 60.371 61.300 -0.172 0.000 1.227 266 I CB 0.695 38.525 38.000 -0.285 0.000 1.366 266 I HN -0.101 nan 8.210 nan 0.000 0.466 267 Y N 5.796 126.063 120.300 -0.055 0.000 2.335 267 Y HA 0.177 4.727 4.550 -0.001 0.000 0.331 267 Y C 0.655 176.485 175.900 -0.116 0.000 1.094 267 Y CA -0.398 57.657 58.100 -0.075 0.000 1.253 267 Y CB 0.489 38.905 38.460 -0.073 0.000 1.203 267 Y HN 0.550 nan 8.280 nan 0.000 0.508 268 N N 2.794 121.535 118.700 0.068 0.000 2.319 268 N HA 0.349 5.089 4.740 -0.001 0.000 0.305 268 N C -1.088 174.432 175.510 0.017 0.000 1.103 268 N CA -0.572 52.478 53.050 0.000 0.000 0.815 268 N CB 1.639 40.111 38.487 -0.025 0.000 1.288 268 N HN 0.291 nan 8.380 nan 0.000 0.493 269 I N 0.608 121.183 120.570 0.008 0.000 2.696 269 I HA 0.008 4.177 4.170 -0.001 0.000 0.284 269 I C 0.931 177.100 176.117 0.086 0.000 1.129 269 I CA -0.155 61.164 61.300 0.032 0.000 1.410 269 I CB 0.045 38.060 38.000 0.025 0.000 1.399 269 I HN 0.626 nan 8.210 nan 0.000 0.579 270 D N 7.846 128.311 120.400 0.108 0.000 2.660 270 D HA -0.069 4.570 4.640 -0.001 0.000 0.253 270 D C -1.626 174.725 176.300 0.084 0.000 1.256 270 D CA -0.882 53.170 54.000 0.087 0.000 0.914 270 D CB 0.891 41.742 40.800 0.084 0.000 1.137 270 D HN 0.227 nan 8.370 nan 0.000 0.542 271 P HA -0.137 nan 4.420 nan 0.000 0.219 271 P C 1.199 178.498 177.300 -0.002 0.000 1.146 271 P CA 1.073 64.194 63.100 0.034 0.000 0.808 271 P CB 0.105 31.820 31.700 0.025 0.000 0.779 272 S N -2.062 113.625 115.700 -0.023 0.000 2.561 272 S HA 0.074 4.544 4.470 -0.001 0.000 0.225 272 S C 1.613 176.135 174.600 -0.131 0.000 0.977 272 S CA 0.301 58.467 58.200 -0.057 0.000 0.926 272 S CB -0.367 62.807 63.200 -0.043 0.000 0.769 272 S HN 0.004 nan 8.310 nan 0.000 0.533 273 R N -0.348 120.037 120.500 -0.192 0.000 2.350 273 R HA 0.455 4.794 4.340 -0.001 0.000 0.199 273 R C -0.902 174.877 176.300 -0.869 0.000 0.876 273 R CA 0.212 56.004 56.100 -0.513 0.000 1.062 273 R CB -0.138 29.845 30.300 -0.528 0.000 1.263 273 R HN 0.466 nan 8.270 nan 0.000 0.641 274 F N 1.177 121.122 119.950 -0.008 0.000 2.557 274 F HA 0.344 4.871 4.527 -0.001 0.000 0.316 274 F C 0.171 175.972 175.800 0.001 0.000 1.141 274 F CA -1.337 56.659 58.000 -0.006 0.000 0.922 274 F CB 1.914 40.906 39.000 -0.013 0.000 1.194 274 F HN -0.180 nan 8.300 nan 0.000 0.443 275 E N 2.581 122.876 120.200 0.158 0.000 2.316 275 E HA 0.055 4.405 4.350 -0.001 0.000 0.275 275 E C -0.347 176.319 176.600 0.110 0.000 1.029 275 E CA -0.176 56.287 56.400 0.105 0.000 0.871 275 E CB 0.558 30.305 29.700 0.078 0.000 1.022 275 E HN 0.655 nan 8.360 nan 0.000 0.418 276 D N 3.579 124.032 120.400 0.090 0.000 2.886 276 D HA -0.202 4.438 4.640 -0.001 0.000 0.221 276 D C -1.567 174.782 176.300 0.082 0.000 1.227 276 D CA 0.889 54.938 54.000 0.083 0.000 0.746 276 D CB -0.806 40.054 40.800 0.100 0.000 0.935 276 D HN 0.396 nan 8.370 nan 0.000 0.399 277 L N 2.018 123.280 121.223 0.066 0.000 2.381 277 L HA 0.491 4.831 4.340 -0.001 0.000 0.274 277 L C 0.104 176.985 176.870 0.019 0.000 0.988 277 L CA -0.848 54.021 54.840 0.048 0.000 0.824 277 L CB 1.803 43.872 42.059 0.016 0.000 1.263 277 L HN 0.045 nan 8.230 nan 0.000 0.410 278 N N 4.194 122.920 118.700 0.043 0.000 2.242 278 N HA 0.526 5.265 4.740 -0.001 0.000 0.292 278 N C -1.149 174.430 175.510 0.114 0.000 1.125 278 N CA -0.685 52.352 53.050 -0.021 0.000 0.783 278 N CB 3.042 41.347 38.487 -0.303 0.000 1.558 278 N HN 0.359 nan 8.380 nan 0.000 0.472 279 L N 1.499 122.763 121.223 0.068 0.000 2.331 279 L HA 0.424 4.764 4.340 -0.001 0.000 0.278 279 L C 0.861 177.958 176.870 0.378 0.000 1.106 279 L CA -0.493 54.420 54.840 0.121 0.000 0.824 279 L CB 0.845 42.835 42.059 -0.116 0.000 1.142 279 L HN 0.544 nan 8.230 nan 0.000 0.443 280 A N 2.227 125.296 122.820 0.416 0.000 2.340 280 A HA 0.494 4.814 4.320 -0.001 0.000 0.268 280 A C 1.028 178.798 177.584 0.310 0.000 1.100 280 A CA 0.108 52.391 52.037 0.409 0.000 0.803 280 A CB 0.815 19.886 19.000 0.118 0.000 1.043 280 A HN 0.920 nan 8.150 nan 0.000 0.488 281 G N -0.491 108.473 108.800 0.274 0.000 3.042 281 G HA2 0.404 4.363 3.960 -0.001 0.000 0.212 281 G HA3 0.404 4.363 3.960 -0.001 0.000 0.212 281 G C 0.403 175.339 174.900 0.060 0.000 1.166 281 G CA 0.998 46.198 45.100 0.167 0.000 0.767 281 G HN 1.163 nan 8.290 nan 0.000 0.546 282 T N -2.383 112.199 114.554 0.047 0.000 2.977 282 T HA 0.454 4.804 4.350 -0.001 0.000 0.345 282 T C 0.852 175.544 174.700 -0.013 0.000 1.562 282 T CA 0.483 62.593 62.100 0.016 0.000 1.090 282 T CB 0.950 69.863 68.868 0.074 0.000 1.383 282 T HN 0.284 nan 8.240 nan 0.000 0.484 283 A N 1.966 124.771 122.820 -0.025 0.000 2.178 283 A HA 0.035 4.354 4.320 -0.001 0.000 0.218 283 A C 1.879 179.420 177.584 -0.071 0.000 1.157 283 A CA 1.949 53.955 52.037 -0.052 0.000 0.689 283 A CB -0.765 18.206 19.000 -0.048 0.000 0.787 283 A HN 0.933 nan 8.150 nan 0.000 0.465 284 E N 0.256 120.455 120.200 -0.001 0.000 2.130 284 E HA -0.175 4.175 4.350 -0.001 0.000 0.196 284 E C 1.689 178.242 176.600 -0.080 0.000 0.998 284 E CA 1.706 58.132 56.400 0.044 0.000 0.806 284 E CB -0.185 29.624 29.700 0.182 0.000 0.738 284 E HN 0.393 nan 8.360 nan 0.000 0.459 285 V N 0.768 120.603 119.914 -0.131 0.000 2.261 285 V HA -0.195 3.925 4.120 -0.001 0.000 0.246 285 V C 2.541 178.493 176.094 -0.238 0.000 1.047 285 V CA 1.988 64.129 62.300 -0.265 0.000 1.015 285 V CB -1.135 30.352 31.823 -0.560 0.000 0.642 285 V HN 0.509 nan 8.190 nan 0.000 0.446 286 G N -0.120 108.558 108.800 -0.202 0.000 2.422 286 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.218 286 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.218 286 G C 1.487 176.285 174.900 -0.171 0.000 1.146 286 G CA 0.737 45.743 45.100 -0.157 0.000 0.769 286 G HN 0.327 nan 8.290 nan 0.000 0.547 287 L N 1.320 122.377 121.223 -0.277 0.000 2.046 287 L HA 0.080 4.419 4.340 -0.001 0.000 0.208 287 L C 3.255 179.930 176.870 -0.326 0.000 1.077 287 L CA 1.599 56.178 54.840 -0.434 0.000 0.747 287 L CB -1.303 40.236 42.059 -0.868 0.000 0.896 287 L HN 0.311 nan 8.230 nan 0.000 0.432 288 A N -0.560 122.078 122.820 -0.302 0.000 1.933 288 A HA -0.090 4.230 4.320 -0.001 0.000 0.218 288 A C 2.402 180.057 177.584 0.119 0.000 1.175 288 A CA 1.549 53.621 52.037 0.058 0.000 0.628 288 A CB -1.169 17.903 19.000 0.120 0.000 0.814 288 A HN 0.439 nan 8.150 nan 0.000 0.444 289 G N -1.928 106.876 108.800 0.008 0.000 2.448 289 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.219 289 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.219 289 G C 1.484 176.392 174.900 0.013 0.000 1.127 289 G CA 1.203 46.309 45.100 0.010 0.000 0.766 289 G HN 0.606 nan 8.290 nan 0.000 0.552 290 Y N 0.609 120.807 120.300 -0.169 0.000 2.200 290 Y HA 0.040 4.589 4.550 -0.001 0.000 0.290 290 Y C 2.022 177.691 175.900 -0.385 0.000 1.137 290 Y CA 1.222 59.117 58.100 -0.341 0.000 1.163 290 Y CB -0.145 38.000 38.460 -0.525 0.000 0.988 290 Y HN 0.180 nan 8.280 nan 0.000 0.518 291 F N -0.314 119.642 119.950 0.009 0.000 2.615 291 F HA 0.043 4.570 4.527 -0.001 0.000 0.297 291 F C 1.351 177.216 175.800 0.109 0.000 1.124 291 F CA 0.093 58.110 58.000 0.029 0.000 1.451 291 F CB -0.309 38.814 39.000 0.205 0.000 1.103 291 F HN -0.081 nan 8.300 nan 0.000 0.569 292 M N 1.464 121.216 119.600 0.253 0.000 2.255 292 M HA -0.126 4.353 4.480 -0.001 0.000 0.356 292 M C 0.147 176.642 176.300 0.326 0.000 1.338 292 M CA 0.812 56.264 55.300 0.254 0.000 0.962 292 M CB 0.113 32.811 32.600 0.163 0.000 1.877 292 M HN 0.222 nan 8.290 nan 0.000 0.463 293 D N 1.757 122.327 120.400 0.283 0.000 3.012 293 D HA -0.208 4.432 4.640 -0.001 0.000 0.222 293 D C -1.144 175.136 176.300 -0.034 0.000 1.167 293 D CA 1.403 55.489 54.000 0.143 0.000 0.854 293 D CB -1.454 39.381 40.800 0.060 0.000 1.107 293 D HN 0.795 nan 8.370 nan 0.000 0.421 294 H N -1.540 117.586 119.070 0.093 0.000 2.894 294 H HA 0.680 5.235 4.556 -0.001 0.000 0.368 294 H C -0.022 175.377 175.328 0.118 0.000 1.181 294 H CA -0.333 55.751 56.048 0.061 0.000 1.146 294 H CB 1.657 31.410 29.762 -0.016 0.000 1.839 294 H HN -0.047 nan 8.280 nan 0.000 0.557 295 S N 0.634 116.457 115.700 0.205 0.000 2.503 295 S HA 0.678 5.148 4.470 -0.001 0.000 0.301 295 S C -0.325 174.408 174.600 0.222 0.000 1.087 295 S CA -0.750 57.558 58.200 0.180 0.000 1.042 295 S CB 1.090 64.341 63.200 0.084 0.000 1.043 295 S HN 0.624 nan 8.310 nan 0.000 0.489 296 V N -0.134 119.934 119.914 0.257 0.000 2.850 296 V HA 0.958 5.078 4.120 -0.001 0.000 0.315 296 V C 0.394 176.624 176.094 0.228 0.000 1.064 296 V CA -1.020 61.431 62.300 0.252 0.000 0.979 296 V CB 0.748 32.737 31.823 0.278 0.000 1.039 296 V HN 1.301 nan 8.190 nan 0.000 0.452 297 A N 1.988 124.922 122.820 0.189 0.000 2.401 297 A HA 0.525 4.844 4.320 -0.001 0.000 0.259 297 A C 0.495 178.207 177.584 0.212 0.000 1.103 297 A CA -0.280 51.876 52.037 0.198 0.000 0.789 297 A CB -0.097 18.994 19.000 0.152 0.000 1.035 297 A HN 1.147 nan 8.150 nan 0.000 0.491 298 F N 2.876 122.909 119.950 0.139 0.000 2.120 298 F HA -0.261 4.266 4.527 -0.000 0.000 0.300 298 F C 2.475 178.283 175.800 0.013 0.000 1.095 298 F CA 2.548 60.600 58.000 0.088 0.000 1.249 298 F CB -0.002 39.077 39.000 0.133 0.000 0.995 298 F HN 0.779 nan 8.300 nan 0.000 0.480 299 R N -0.285 120.397 120.500 0.302 0.000 2.241 299 R HA -0.138 4.201 4.340 -0.001 0.000 0.224 299 R C 1.047 177.370 176.300 0.038 0.000 1.101 299 R CA 1.805 58.013 56.100 0.181 0.000 0.995 299 R CB -0.833 29.558 30.300 0.152 0.000 0.870 299 R HN 0.223 nan 8.270 nan 0.000 0.463 300 D N 0.811 121.217 120.400 0.010 0.000 2.350 300 D HA 0.120 4.760 4.640 -0.001 0.000 0.213 300 D C 0.407 176.649 176.300 -0.097 0.000 1.031 300 D CA 0.218 54.209 54.000 -0.015 0.000 0.861 300 D CB 0.166 40.992 40.800 0.043 0.000 0.926 300 D HN 0.204 nan 8.370 nan 0.000 0.520 301 L N 2.901 123.991 121.223 -0.220 0.000 2.426 301 L HA 0.204 4.543 4.340 -0.001 0.000 0.271 301 L C -1.773 174.928 176.870 -0.282 0.000 1.169 301 L CA -1.317 53.329 54.840 -0.324 0.000 0.836 301 L CB 0.058 41.755 42.059 -0.603 0.000 1.112 301 L HN -0.150 nan 8.230 nan 0.000 0.465 302 P HA 0.331 nan 4.420 nan 0.000 0.282 302 P C -0.745 176.456 177.300 -0.164 0.000 1.249 302 P CA -0.393 62.566 63.100 -0.234 0.000 0.806 302 P CB 1.385 32.945 31.700 -0.234 0.000 0.984 303 I N 3.235 123.728 120.570 -0.128 0.000 2.342 303 I HA 0.283 4.453 4.170 -0.001 0.000 0.291 303 I C 0.933 177.031 176.117 -0.031 0.000 1.010 303 I CA -0.442 60.837 61.300 -0.036 0.000 1.308 303 I CB 0.666 38.702 38.000 0.060 0.000 1.400 303 I HN 0.138 nan 8.210 nan 0.000 0.488 304 R N 7.309 127.759 120.500 -0.084 0.000 2.393 304 R HA 0.684 5.023 4.340 -0.001 0.000 0.315 304 R C -1.011 175.285 176.300 -0.007 0.000 0.952 304 R CA -0.595 55.385 56.100 -0.200 0.000 0.842 304 R CB 2.041 31.830 30.300 -0.852 0.000 1.163 304 R HN 0.560 nan 8.270 nan 0.000 0.450 305 M N 2.083 121.841 119.600 0.264 0.000 2.530 305 M HA 0.481 4.961 4.480 -0.001 0.000 0.307 305 M C -1.157 175.370 176.300 0.378 0.000 1.161 305 M CA -1.144 54.341 55.300 0.309 0.000 0.903 305 M CB 2.831 35.602 32.600 0.284 0.000 1.711 305 M HN 0.287 nan 8.290 nan 0.000 0.451 306 V N 1.658 121.711 119.914 0.232 0.000 2.656 306 V HA 0.756 4.875 4.120 -0.001 0.000 0.307 306 V C -1.877 174.229 176.094 0.021 0.000 1.051 306 V CA -0.329 62.024 62.300 0.088 0.000 0.893 306 V CB 1.875 33.689 31.823 -0.016 0.000 0.999 306 V HN 1.042 nan 8.190 nan 0.000 0.426 307 C N 5.261 124.555 119.300 -0.011 0.000 2.701 307 C HA 0.779 5.238 4.460 -0.001 0.000 0.336 307 C C -0.291 174.675 174.990 -0.040 0.000 1.123 307 C CA -0.187 58.811 59.018 -0.034 0.000 1.326 307 C CB 1.154 28.866 27.740 -0.046 0.000 1.833 307 C HN 1.075 nan 8.230 nan 0.000 0.473 308 S N 3.536 119.210 115.700 -0.043 0.000 2.462 308 S HA 0.882 5.352 4.470 -0.001 0.000 0.294 308 S C -0.279 174.294 174.600 -0.046 0.000 1.144 308 S CA 0.170 58.346 58.200 -0.040 0.000 1.088 308 S CB 0.796 63.977 63.200 -0.032 0.000 1.009 308 S HN 1.708 nan 8.310 nan 0.000 0.484 309 S N 2.954 118.619 115.700 -0.058 0.000 2.596 309 S HA 0.583 5.052 4.470 -0.001 0.000 0.270 309 S C -0.874 173.650 174.600 -0.128 0.000 1.155 309 S CA -0.840 57.317 58.200 -0.072 0.000 0.827 309 S CB 1.161 64.323 63.200 -0.064 0.000 1.130 309 S HN 0.551 nan 8.310 nan 0.000 0.467 310 T N 1.827 116.293 114.554 -0.146 0.000 2.817 310 T HA 0.530 4.880 4.350 -0.001 0.000 0.293 310 T C -0.320 174.109 174.700 -0.452 0.000 0.964 310 T CA -0.207 61.708 62.100 -0.309 0.000 1.085 310 T CB -0.196 68.503 68.868 -0.282 0.000 0.921 310 T HN 0.770 nan 8.240 nan 0.000 0.502 311 C N 3.584 122.434 119.300 -0.750 0.000 2.435 311 C HA 0.671 5.131 4.460 -0.001 0.000 0.333 311 C C -0.747 173.762 174.990 -0.801 0.000 1.202 311 C CA -1.087 57.495 59.018 -0.726 0.000 1.830 311 C CB -0.234 26.860 27.740 -1.075 0.000 2.326 311 C HN 0.855 nan 8.230 nan 0.000 0.507 312 Y N 1.126 121.384 120.300 -0.069 0.000 2.391 312 Y HA 0.660 5.209 4.550 -0.001 0.000 0.341 312 Y C 0.417 176.483 175.900 0.277 0.000 0.965 312 Y CA -0.696 57.512 58.100 0.180 0.000 1.067 312 Y CB 1.135 39.740 38.460 0.241 0.000 1.199 312 Y HN 0.474 nan 8.280 nan 0.000 0.450 313 R N 1.211 122.012 120.500 0.502 0.000 2.533 313 R HA 0.559 4.898 4.340 -0.001 0.000 0.288 313 R C 0.141 176.575 176.300 0.223 0.000 1.039 313 R CA -0.684 55.589 56.100 0.289 0.000 0.909 313 R CB 2.014 32.490 30.300 0.293 0.000 1.195 313 R HN 0.874 nan 8.270 nan 0.000 0.438 314 A N 2.021 124.676 122.820 -0.274 0.000 1.969 314 A HA -0.103 4.216 4.320 -0.001 0.000 0.218 314 A C 0.372 178.021 177.584 0.108 0.000 1.169 314 A CA 0.955 52.748 52.037 -0.406 0.000 0.635 314 A CB -0.169 18.452 19.000 -0.631 0.000 0.810 314 A HN 0.822 nan 8.150 nan 0.000 0.445 315 E N 0.318 120.575 120.200 0.095 0.000 2.228 315 E HA -0.141 4.208 4.350 -0.001 0.000 0.213 315 E C -0.451 176.205 176.600 0.095 0.000 1.282 315 E CA 1.193 57.655 56.400 0.104 0.000 0.707 315 E CB -2.492 27.267 29.700 0.098 0.000 1.150 315 E HN 0.583 nan 8.360 nan 0.000 0.362 316 T N 0.687 115.267 114.554 0.043 0.000 2.922 316 T HA 0.290 4.639 4.350 -0.001 0.000 0.285 316 T C 0.957 175.674 174.700 0.027 0.000 1.005 316 T CA 0.087 62.209 62.100 0.036 0.000 1.061 316 T CB 1.068 69.939 68.868 0.004 0.000 1.007 316 T HN 0.406 nan 8.240 nan 0.000 0.502 317 D N -0.652 119.765 120.400 0.028 0.000 3.067 317 D HA -0.230 4.409 4.640 -0.001 0.000 0.216 317 D C 0.302 176.615 176.300 0.022 0.000 1.162 317 D CA 1.823 55.836 54.000 0.021 0.000 0.960 317 D CB -2.133 38.676 40.800 0.015 0.000 1.129 317 D HN 0.667 nan 8.370 nan 0.000 0.408 318 T N -4.143 110.427 114.554 0.027 0.000 2.884 318 T HA 0.630 4.979 4.350 -0.001 0.000 0.277 318 T C 1.229 175.945 174.700 0.026 0.000 0.976 318 T CA -0.575 61.541 62.100 0.027 0.000 0.956 318 T CB 1.286 70.173 68.868 0.031 0.000 1.113 318 T HN 0.840 nan 8.240 nan 0.000 0.554 319 G N 0.563 109.381 108.800 0.030 0.000 2.163 319 G HA2 0.154 4.113 3.960 -0.001 0.000 0.239 319 G HA3 0.154 4.113 3.960 -0.001 0.000 0.239 319 G C -0.185 174.725 174.900 0.017 0.000 1.148 319 G CA -0.229 44.887 45.100 0.026 0.000 0.880 319 G HN 0.743 nan 8.290 nan 0.000 0.466 320 K N 1.785 122.188 120.400 0.004 0.000 2.262 320 K HA 0.207 4.527 4.320 -0.001 0.000 0.288 320 K C 0.098 176.692 176.600 -0.009 0.000 1.090 320 K CA 0.048 56.333 56.287 -0.004 0.000 0.918 320 K CB 0.425 32.923 32.500 -0.003 0.000 1.139 320 K HN 0.425 nan 8.250 nan 0.000 0.462 321 E N 6.142 126.333 120.200 -0.015 0.000 3.651 321 E HA 0.102 4.452 4.350 -0.001 0.000 0.220 321 E C -1.980 174.587 176.600 -0.056 0.000 1.222 321 E CA -1.557 54.839 56.400 -0.007 0.000 1.114 321 E CB 0.971 30.692 29.700 0.034 0.000 1.278 321 E HN 0.491 nan 8.360 nan 0.000 0.412 322 P HA -0.150 nan 4.420 nan 0.000 0.215 322 P C -0.060 176.942 177.300 -0.496 0.000 1.153 322 P CA 1.257 64.187 63.100 -0.283 0.000 0.853 322 P CB 0.276 31.853 31.700 -0.204 0.000 0.788 323 W N -0.788 120.492 121.300 -0.035 0.000 2.781 323 W HA 0.569 5.229 4.660 -0.001 0.000 0.345 323 W C 0.361 176.867 176.519 -0.021 0.000 1.085 323 W CA 0.508 57.835 57.345 -0.030 0.000 1.198 323 W CB 1.712 31.140 29.460 -0.053 0.000 1.423 323 W HN 0.213 nan 8.180 nan 0.000 0.532 324 G N 0.445 109.379 108.800 0.224 0.000 2.663 324 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.686 324 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.686 324 G C -0.582 174.420 174.900 0.170 0.000 1.288 324 G CA -0.808 44.420 45.100 0.213 0.000 0.836 324 G HN 0.659 nan 8.290 nan 0.000 0.584 325 L N 0.202 121.564 121.223 0.233 0.000 2.653 325 L HA 0.232 4.572 4.340 -0.001 0.000 0.231 325 L C 2.021 178.760 176.870 -0.218 0.000 1.153 325 L CA -0.057 54.675 54.840 -0.180 0.000 0.933 325 L CB -0.191 41.641 42.059 -0.380 0.000 1.175 325 L HN 0.620 nan 8.230 nan 0.000 0.473 326 Y N 1.277 121.463 120.300 -0.189 0.000 2.200 326 Y HA -0.117 4.432 4.550 -0.001 0.000 0.290 326 Y C 1.671 177.438 175.900 -0.222 0.000 1.137 326 Y CA 1.353 59.328 58.100 -0.209 0.000 1.163 326 Y CB 0.362 38.743 38.460 -0.133 0.000 0.988 326 Y HN 0.056 nan 8.280 nan 0.000 0.518 327 R N 0.882 121.332 120.500 -0.082 0.000 2.639 327 R HA 0.351 4.691 4.340 -0.001 0.000 0.273 327 R C -1.478 174.699 176.300 -0.204 0.000 1.732 327 R CA -0.361 55.648 56.100 -0.151 0.000 1.586 327 R CB 0.352 30.641 30.300 -0.019 0.000 1.263 327 R HN 0.066 nan 8.270 nan 0.000 0.615 328 V N -0.668 119.107 119.914 -0.231 0.000 3.109 328 V HA 0.373 4.493 4.120 -0.001 0.000 0.317 328 V C 0.902 176.948 176.094 -0.080 0.000 1.074 328 V CA -0.524 61.660 62.300 -0.193 0.000 1.033 328 V CB 1.539 33.302 31.823 -0.099 0.000 1.111 328 V HN 0.577 nan 8.190 nan 0.000 0.458 329 H N 0.509 119.693 119.070 0.191 0.000 2.525 329 H HA 0.179 4.734 4.556 -0.001 0.000 0.275 329 H C 0.260 175.809 175.328 0.368 0.000 0.984 329 H CA 1.322 57.566 56.048 0.326 0.000 1.264 329 H CB -0.007 29.986 29.762 0.385 0.000 1.432 329 H HN 1.004 nan 8.280 nan 0.000 0.549 330 H N -1.489 117.788 119.070 0.346 0.000 2.771 330 H HA 0.458 5.013 4.556 -0.001 0.000 0.361 330 H C -1.086 174.379 175.328 0.228 0.000 1.108 330 H CA -1.226 54.851 56.048 0.047 0.000 1.201 330 H CB 1.083 30.770 29.762 -0.125 0.000 1.681 330 H HN -0.023 nan 8.280 nan 0.000 0.534 331 F N -1.410 118.505 119.950 -0.060 0.000 2.770 331 F HA 0.595 5.121 4.527 -0.001 0.000 0.313 331 F C -1.664 174.102 175.800 -0.057 0.000 1.154 331 F CA -1.039 56.959 58.000 -0.002 0.000 0.923 331 F CB 1.036 40.023 39.000 -0.023 0.000 1.301 331 F HN 0.605 nan 8.300 nan 0.000 0.449 332 T N 2.066 116.700 114.554 0.133 0.000 2.837 332 T HA 0.524 4.874 4.350 -0.001 0.000 0.285 332 T C -1.020 173.750 174.700 0.117 0.000 0.984 332 T CA -0.605 61.504 62.100 0.015 0.000 1.049 332 T CB 1.207 70.095 68.868 0.032 0.000 0.947 332 T HN 0.791 nan 8.240 nan 0.000 0.472 333 K N 2.324 122.738 120.400 0.023 0.000 2.501 333 K HA 0.577 4.896 4.320 -0.001 0.000 0.252 333 K C -1.612 174.991 176.600 0.006 0.000 0.934 333 K CA -0.690 55.641 56.287 0.073 0.000 0.797 333 K CB 1.681 34.273 32.500 0.154 0.000 1.270 333 K HN 0.347 nan 8.250 nan 0.000 0.431 334 V N 3.143 123.054 119.914 -0.004 0.000 2.407 334 V HA 0.279 4.399 4.120 -0.001 0.000 0.278 334 V C -0.310 175.759 176.094 -0.043 0.000 1.037 334 V CA -0.482 61.795 62.300 -0.038 0.000 0.900 334 V CB 1.147 32.932 31.823 -0.063 0.000 0.983 334 V HN 0.800 nan 8.190 nan 0.000 0.459 335 E N 4.625 124.804 120.200 -0.035 0.000 2.195 335 E HA 0.607 4.957 4.350 -0.001 0.000 0.271 335 E C -0.868 175.715 176.600 -0.028 0.000 0.923 335 E CA -0.513 55.881 56.400 -0.010 0.000 0.790 335 E CB 1.642 31.367 29.700 0.042 0.000 1.155 335 E HN 0.610 nan 8.360 nan 0.000 0.402 336 M N 3.870 123.427 119.600 -0.071 0.000 2.336 336 M HA 0.455 4.935 4.480 -0.001 0.000 0.342 336 M C -1.270 175.103 176.300 0.122 0.000 1.128 336 M CA -0.770 54.437 55.300 -0.156 0.000 1.016 336 M CB 1.163 33.349 32.600 -0.691 0.000 1.665 336 M HN 0.565 nan 8.290 nan 0.000 0.445 337 F N 1.059 121.093 119.950 0.139 0.000 2.574 337 F HA 0.763 5.289 4.527 -0.001 0.000 0.313 337 F C -0.509 175.514 175.800 0.372 0.000 1.130 337 F CA -0.378 57.788 58.000 0.277 0.000 0.936 337 F CB 1.806 40.926 39.000 0.199 0.000 1.219 337 F HN 0.533 nan 8.300 nan 0.000 0.445 338 G N 3.613 112.368 108.800 -0.074 0.000 2.571 338 G HA2 0.620 4.580 3.960 -0.001 0.000 0.304 338 G HA3 0.620 4.580 3.960 -0.001 0.000 0.304 338 G C -2.303 172.371 174.900 -0.376 0.000 1.314 338 G CA -0.847 44.212 45.100 -0.069 0.000 0.975 338 G HN 0.578 nan 8.290 nan 0.000 0.485 339 V N 0.954 120.710 119.914 -0.264 0.000 2.483 339 V HA 0.756 4.875 4.120 -0.001 0.000 0.297 339 V C 0.154 176.098 176.094 -0.251 0.000 1.027 339 V CA -0.422 61.696 62.300 -0.302 0.000 0.855 339 V CB 1.307 32.868 31.823 -0.436 0.000 0.995 339 V HN 0.948 nan 8.190 nan 0.000 0.424 340 T N 2.857 117.262 114.554 -0.248 0.000 2.696 340 T HA 0.705 5.055 4.350 -0.001 0.000 0.291 340 T C 0.729 175.150 174.700 -0.465 0.000 1.095 340 T CA 0.392 62.292 62.100 -0.334 0.000 1.026 340 T CB 1.519 70.200 68.868 -0.311 0.000 1.390 340 T HN 1.209 nan 8.240 nan 0.000 0.513 341 G N 1.733 110.175 108.800 -0.597 0.000 3.796 341 G HA2 -0.095 3.865 3.960 -0.001 0.000 1.010 341 G HA3 -0.095 3.865 3.960 -0.001 0.000 1.010 341 G C -1.221 173.212 174.900 -0.779 0.000 1.284 341 G CA 0.446 45.096 45.100 -0.749 0.000 1.421 341 G HN 0.632 nan 8.290 nan 0.000 0.847 342 P HA 0.133 nan 4.420 nan 0.000 0.221 342 P C 0.953 178.129 177.300 -0.208 0.000 1.155 342 P CA 1.848 64.904 63.100 -0.074 0.000 0.812 342 P CB 0.357 32.156 31.700 0.166 0.000 0.801 343 G N -1.090 107.504 108.800 -0.343 0.000 3.021 343 G HA2 0.375 4.335 3.960 -0.001 0.000 0.290 343 G HA3 0.375 4.335 3.960 -0.001 0.000 0.290 343 G C 0.505 175.204 174.900 -0.336 0.000 1.291 343 G CA -0.568 44.303 45.100 -0.382 0.000 0.834 343 G HN -0.022 nan 8.290 nan 0.000 0.564 344 L N -0.162 121.020 121.223 -0.067 0.000 2.079 344 L HA -0.070 4.269 4.340 -0.001 0.000 0.210 344 L C 2.735 179.605 176.870 -0.001 0.000 1.081 344 L CA 1.921 56.772 54.840 0.018 0.000 0.752 344 L CB -0.120 41.942 42.059 0.005 0.000 0.896 344 L HN 0.818 nan 8.230 nan 0.000 0.433 345 E N -0.123 120.059 120.200 -0.029 0.000 2.077 345 E HA -0.283 4.066 4.350 -0.001 0.000 0.193 345 E C 2.165 178.734 176.600 -0.052 0.000 0.989 345 E CA 1.353 57.742 56.400 -0.020 0.000 0.800 345 E CB 0.148 29.834 29.700 -0.024 0.000 0.746 345 E HN 0.427 nan 8.360 nan 0.000 0.452 346 Q N 0.037 119.770 119.800 -0.111 0.000 2.049 346 Q HA -0.106 4.234 4.340 -0.001 0.000 0.198 346 Q C 2.363 178.275 176.000 -0.146 0.000 0.971 346 Q CA 1.960 57.669 55.803 -0.157 0.000 0.833 346 Q CB -0.155 28.436 28.738 -0.245 0.000 0.896 346 Q HN 0.369 nan 8.270 nan 0.000 0.434 347 S N -0.860 114.777 115.700 -0.105 0.000 2.406 347 S HA -0.049 4.421 4.470 -0.001 0.000 0.228 347 S C 2.060 176.633 174.600 -0.044 0.000 1.020 347 S CA 1.064 59.225 58.200 -0.064 0.000 0.965 347 S CB -0.336 62.930 63.200 0.111 0.000 0.798 347 S HN 0.159 nan 8.310 nan 0.000 0.488 348 S N 1.631 117.343 115.700 0.020 0.000 2.383 348 S HA -0.010 4.460 4.470 -0.001 0.000 0.227 348 S C 1.953 176.573 174.600 0.032 0.000 1.026 348 S CA 0.999 59.243 58.200 0.075 0.000 0.981 348 S CB -0.342 62.946 63.200 0.146 0.000 0.818 348 S HN 0.479 nan 8.310 nan 0.000 0.472 349 E N 0.977 121.168 120.200 -0.015 0.000 2.106 349 E HA -0.038 4.312 4.350 -0.001 0.000 0.192 349 E C 2.058 178.605 176.600 -0.088 0.000 0.984 349 E CA 0.522 56.903 56.400 -0.033 0.000 0.806 349 E CB -0.413 29.259 29.700 -0.046 0.000 0.750 349 E HN 0.311 nan 8.360 nan 0.000 0.458 350 L N 0.954 122.068 121.223 -0.182 0.000 2.093 350 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 350 L C 2.270 178.864 176.870 -0.459 0.000 1.085 350 L CA 1.057 55.675 54.840 -0.369 0.000 0.755 350 L CB -0.589 41.170 42.059 -0.499 0.000 0.904 350 L HN 0.110 nan 8.230 nan 0.000 0.435 351 L N -0.668 120.406 121.223 -0.249 0.000 2.046 351 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 351 L C 2.381 179.317 176.870 0.109 0.000 1.077 351 L CA 1.704 56.503 54.840 -0.067 0.000 0.747 351 L CB -0.815 41.279 42.059 0.058 0.000 0.896 351 L HN 0.274 nan 8.230 nan 0.000 0.432 352 E N -0.094 120.159 120.200 0.089 0.000 2.077 352 E HA -0.279 4.070 4.350 -0.001 0.000 0.193 352 E C 2.037 178.685 176.600 0.081 0.000 0.989 352 E CA 1.428 57.875 56.400 0.078 0.000 0.800 352 E CB -0.174 29.553 29.700 0.045 0.000 0.746 352 E HN 0.719 nan 8.360 nan 0.000 0.452 353 E N -0.144 120.099 120.200 0.071 0.000 2.051 353 E HA -0.171 4.178 4.350 -0.001 0.000 0.192 353 E C 1.898 178.696 176.600 0.329 0.000 0.991 353 E CA 0.745 57.236 56.400 0.152 0.000 0.799 353 E CB -0.073 29.702 29.700 0.125 0.000 0.748 353 E HN 0.072 nan 8.360 nan 0.000 0.449 354 F N 0.892 120.909 119.950 0.113 0.000 2.126 354 F HA -0.175 4.352 4.527 -0.001 0.000 0.299 354 F C 2.373 178.219 175.800 0.077 0.000 1.096 354 F CA 0.841 58.914 58.000 0.122 0.000 1.255 354 F CB -1.203 37.872 39.000 0.125 0.000 0.997 354 F HN 0.184 nan 8.300 nan 0.000 0.479 355 L N 0.551 121.943 121.223 0.282 0.000 2.042 355 L HA -0.205 4.134 4.340 -0.001 0.000 0.210 355 L C 2.628 179.545 176.870 0.079 0.000 1.076 355 L CA 2.256 57.186 54.840 0.150 0.000 0.749 355 L CB -1.193 40.911 42.059 0.074 0.000 0.893 355 L HN 0.200 nan 8.230 nan 0.000 0.432 356 S N -0.978 114.770 115.700 0.079 0.000 2.382 356 S HA -0.204 4.265 4.470 -0.001 0.000 0.228 356 S C 2.063 176.693 174.600 0.051 0.000 1.027 356 S CA 1.562 59.791 58.200 0.047 0.000 0.991 356 S CB -1.029 62.200 63.200 0.049 0.000 0.823 356 S HN 0.523 nan 8.310 nan 0.000 0.469 357 L N 0.970 122.237 121.223 0.074 0.000 2.056 357 L HA -0.103 4.237 4.340 -0.001 0.000 0.207 357 L C 3.126 179.984 176.870 -0.021 0.000 1.078 357 L CA 1.496 56.351 54.840 0.024 0.000 0.749 357 L CB -0.595 41.467 42.059 0.004 0.000 0.901 357 L HN 0.402 nan 8.230 nan 0.000 0.433 358 Q N -0.584 119.203 119.800 -0.022 0.000 2.084 358 Q HA -0.219 4.121 4.340 -0.001 0.000 0.202 358 Q C 2.291 178.216 176.000 -0.124 0.000 0.978 358 Q CA 1.556 57.316 55.803 -0.071 0.000 0.844 358 Q CB -0.177 28.531 28.738 -0.050 0.000 0.898 358 Q HN 0.519 nan 8.270 nan 0.000 0.426 359 M N 0.293 119.848 119.600 -0.075 0.000 2.159 359 M HA -0.178 4.302 4.480 -0.001 0.000 0.263 359 M C 1.826 178.139 176.300 0.020 0.000 1.063 359 M CA 1.410 56.676 55.300 -0.056 0.000 1.110 359 M CB -0.137 32.521 32.600 0.098 0.000 1.374 359 M HN 0.185 nan 8.290 nan 0.000 0.411 360 E N 0.614 120.835 120.200 0.036 0.000 2.051 360 E HA -0.176 4.173 4.350 -0.001 0.000 0.192 360 E C 1.946 178.603 176.600 0.096 0.000 0.991 360 E CA 1.251 57.696 56.400 0.074 0.000 0.799 360 E CB -0.198 29.537 29.700 0.059 0.000 0.748 360 E HN 0.515 nan 8.360 nan 0.000 0.449 361 I N 1.106 121.714 120.570 0.064 0.000 2.163 361 I HA -0.305 3.865 4.170 -0.001 0.000 0.243 361 I C 2.370 178.530 176.117 0.072 0.000 1.085 361 I CA 1.155 62.544 61.300 0.148 0.000 1.347 361 I CB -0.226 37.828 38.000 0.090 0.000 1.044 361 I HN 0.109 nan 8.210 nan 0.000 0.408 362 L N -0.280 120.890 121.223 -0.088 0.000 2.141 362 L HA -0.166 4.174 4.340 -0.001 0.000 0.209 362 L C 2.552 179.473 176.870 0.085 0.000 1.094 362 L CA 1.287 56.036 54.840 -0.152 0.000 0.763 362 L CB -0.943 40.719 42.059 -0.661 0.000 0.908 362 L HN 0.260 nan 8.230 nan 0.000 0.437 363 T N -0.679 113.987 114.554 0.185 0.000 2.777 363 T HA -0.149 4.200 4.350 -0.001 0.000 0.266 363 T C 1.693 176.503 174.700 0.184 0.000 1.040 363 T CA 1.168 63.447 62.100 0.297 0.000 1.141 363 T CB -0.118 68.913 68.868 0.272 0.000 0.868 363 T HN 0.396 nan 8.240 nan 0.000 0.444 364 E N 0.784 121.074 120.200 0.150 0.000 2.268 364 E HA 0.022 4.372 4.350 -0.001 0.000 0.195 364 E C 1.777 178.392 176.600 0.025 0.000 0.995 364 E CA 0.582 57.054 56.400 0.121 0.000 0.836 364 E CB -0.177 29.661 29.700 0.230 0.000 0.763 364 E HN 0.437 nan 8.360 nan 0.000 0.491 365 L N -0.288 120.941 121.223 0.011 0.000 2.554 365 L HA 0.108 4.448 4.340 -0.001 0.000 0.226 365 L C 1.258 178.225 176.870 0.160 0.000 1.137 365 L CA 0.294 55.121 54.840 -0.022 0.000 0.863 365 L CB -0.083 41.948 42.059 -0.048 0.000 0.985 365 L HN 0.241 nan 8.230 nan 0.000 0.451 366 G N 0.970 109.882 108.800 0.188 0.000 2.176 366 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.252 366 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.252 366 G C 0.048 175.083 174.900 0.225 0.000 1.024 366 G CA -0.032 45.206 45.100 0.230 0.000 0.755 366 G HN 0.242 nan 8.290 nan 0.000 0.507 367 L N -0.342 121.043 121.223 0.270 0.000 2.360 367 L HA 0.575 4.915 4.340 -0.001 0.000 0.271 367 L C 0.800 177.931 176.870 0.436 0.000 1.057 367 L CA -1.391 53.630 54.840 0.302 0.000 0.803 367 L CB 1.150 43.374 42.059 0.276 0.000 1.207 367 L HN 0.311 nan 8.230 nan 0.000 0.445 368 H N 2.489 121.718 119.070 0.266 0.000 2.620 368 H HA 0.507 5.063 4.556 -0.001 0.000 0.313 368 H C -1.050 174.543 175.328 0.441 0.000 1.075 368 H CA -0.702 55.478 56.048 0.220 0.000 1.397 368 H CB 0.517 30.358 29.762 0.132 0.000 1.446 368 H HN 0.335 nan 8.280 nan 0.000 0.493 369 F N 1.913 121.922 119.950 0.097 0.000 2.711 369 F HA 0.637 5.164 4.527 -0.001 0.000 0.313 369 F C -1.501 174.314 175.800 0.025 0.000 1.141 369 F CA -1.430 56.637 58.000 0.111 0.000 0.941 369 F CB 1.258 40.333 39.000 0.124 0.000 1.349 369 F HN 0.564 nan 8.300 nan 0.000 0.464 370 R N 0.918 121.546 120.500 0.213 0.000 2.628 370 R HA 0.826 5.165 4.340 -0.001 0.000 0.288 370 R C -2.234 174.163 176.300 0.163 0.000 0.980 370 R CA -1.050 55.043 56.100 -0.013 0.000 0.891 370 R CB 1.941 32.018 30.300 -0.373 0.000 1.188 370 R HN 0.570 nan 8.270 nan 0.000 0.450 371 V N 4.652 124.662 119.914 0.161 0.000 2.439 371 V HA 0.409 4.529 4.120 -0.001 0.000 0.282 371 V C -0.072 176.061 176.094 0.066 0.000 1.039 371 V CA -0.646 61.757 62.300 0.171 0.000 0.913 371 V CB 1.224 33.196 31.823 0.248 0.000 0.983 371 V HN 0.585 nan 8.190 nan 0.000 0.460 372 L N 3.328 124.605 121.223 0.091 0.000 2.362 372 L HA 0.588 4.928 4.340 -0.001 0.000 0.271 372 L C -0.701 176.272 176.870 0.172 0.000 1.002 372 L CA -0.679 54.206 54.840 0.074 0.000 0.818 372 L CB 2.171 44.257 42.059 0.045 0.000 1.298 372 L HN 0.488 nan 8.230 nan 0.000 0.420 373 D N 3.605 124.090 120.400 0.142 0.000 2.396 373 D HA 0.284 4.924 4.640 -0.001 0.000 0.225 373 D C -0.260 176.067 176.300 0.045 0.000 1.121 373 D CA -0.410 53.707 54.000 0.195 0.000 0.853 373 D CB 0.824 41.714 40.800 0.150 0.000 1.043 373 D HN 0.158 nan 8.370 nan 0.000 0.500 374 M N 5.209 124.806 119.600 -0.004 0.000 2.228 374 M HA 0.251 4.731 4.480 -0.001 0.000 0.351 374 M C -1.997 174.263 176.300 -0.066 0.000 1.233 374 M CA -2.391 52.887 55.300 -0.037 0.000 1.129 374 M CB 0.304 32.875 32.600 -0.049 0.000 1.604 374 M HN 0.247 nan 8.290 nan 0.000 0.457 375 P HA 0.140 nan 4.420 nan 0.000 0.274 375 P C 0.635 177.898 177.300 -0.062 0.000 1.256 375 P CA -0.043 63.026 63.100 -0.052 0.000 0.795 375 P CB 0.078 31.757 31.700 -0.034 0.000 1.038 376 T N -1.709 112.809 114.554 -0.060 0.000 2.721 376 T HA -0.261 4.088 4.350 -0.001 0.000 0.268 376 T C 1.634 176.302 174.700 -0.053 0.000 1.038 376 T CA 1.581 63.644 62.100 -0.062 0.000 1.145 376 T CB -1.123 67.715 68.868 -0.051 0.000 0.858 376 T HN 0.454 nan 8.240 nan 0.000 0.459 377 Q N 0.332 120.108 119.800 -0.040 0.000 2.472 377 Q HA 0.065 4.405 4.340 -0.001 0.000 0.208 377 Q C 1.362 177.341 176.000 -0.034 0.000 0.958 377 Q CA 0.578 56.361 55.803 -0.033 0.000 0.932 377 Q CB 0.202 28.927 28.738 -0.022 0.000 1.007 377 Q HN 0.550 nan 8.270 nan 0.000 0.508 378 E N -0.073 120.102 120.200 -0.041 0.000 2.548 378 E HA 0.111 4.460 4.350 -0.001 0.000 0.206 378 E C 1.272 177.838 176.600 -0.056 0.000 1.005 378 E CA -0.005 56.372 56.400 -0.039 0.000 0.951 378 E CB 0.581 30.264 29.700 -0.028 0.000 1.035 378 E HN 0.343 nan 8.360 nan 0.000 0.470 379 L N -0.314 120.864 121.223 -0.075 0.000 2.179 379 L HA 0.066 4.406 4.340 -0.001 0.000 0.208 379 L C 1.399 178.207 176.870 -0.102 0.000 1.096 379 L CA 0.965 55.745 54.840 -0.101 0.000 0.779 379 L CB -0.282 41.705 42.059 -0.120 0.000 0.922 379 L HN 0.255 nan 8.230 nan 0.000 0.443 380 G N -0.287 108.459 108.800 -0.090 0.000 2.484 380 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.225 380 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.225 380 G C -0.058 174.758 174.900 -0.140 0.000 1.250 380 G CA -0.004 45.040 45.100 -0.093 0.000 0.926 380 G HN 0.012 nan 8.290 nan 0.000 0.581 381 L N 2.038 123.142 121.223 -0.198 0.000 2.349 381 L HA 0.314 4.654 4.340 -0.001 0.000 0.200 381 L C 0.142 176.551 176.870 -0.769 0.000 1.064 381 L CA 1.993 56.644 54.840 -0.316 0.000 0.821 381 L CB -0.242 41.710 42.059 -0.178 0.000 1.027 381 L HN 0.484 nan 8.230 nan 0.000 0.476 382 P HA 0.045 nan 4.420 nan 0.000 0.230 382 P C 0.114 177.120 177.300 -0.490 0.000 1.168 382 P CA 0.585 63.020 63.100 -1.108 0.000 0.793 382 P CB 0.155 31.520 31.700 -0.560 0.000 0.851 383 A N -0.251 122.393 122.820 -0.294 0.000 2.409 383 A HA 0.145 4.464 4.320 -0.001 0.000 0.262 383 A C 0.595 178.131 177.584 -0.080 0.000 1.113 383 A CA -0.386 51.560 52.037 -0.152 0.000 0.790 383 A CB -0.261 18.657 19.000 -0.137 0.000 1.046 383 A HN 0.156 nan 8.150 nan 0.000 0.496 384 Y N 2.000 122.205 120.300 -0.158 0.000 2.479 384 Y HA 0.376 4.926 4.550 -0.001 0.000 0.283 384 Y C 0.828 176.665 175.900 -0.105 0.000 1.109 384 Y CA 0.706 58.742 58.100 -0.106 0.000 1.239 384 Y CB 0.327 38.739 38.460 -0.081 0.000 1.108 384 Y HN 0.651 nan 8.280 nan 0.000 0.548 385 R N 1.226 121.641 120.500 -0.141 0.000 2.604 385 R HA 0.384 4.723 4.340 -0.001 0.000 0.270 385 R C -2.203 173.843 176.300 -0.424 0.000 1.052 385 R CA -0.825 55.049 56.100 -0.378 0.000 0.902 385 R CB 1.510 31.550 30.300 -0.433 0.000 1.233 385 R HN 0.066 nan 8.270 nan 0.000 0.455 386 K N 3.695 123.759 120.400 -0.560 0.000 2.581 386 K HA 0.458 4.777 4.320 -0.001 0.000 0.249 386 K C -1.731 174.608 176.600 -0.434 0.000 0.966 386 K CA -0.518 55.520 56.287 -0.414 0.000 0.811 386 K CB 0.899 33.281 32.500 -0.197 0.000 1.223 386 K HN 0.353 nan 8.250 nan 0.000 0.438 387 F N 2.272 122.219 119.950 -0.006 0.000 2.444 387 F HA 0.403 4.930 4.527 -0.001 0.000 0.342 387 F C -0.023 175.789 175.800 0.020 0.000 1.121 387 F CA -0.734 57.269 58.000 0.006 0.000 0.997 387 F CB 1.605 40.620 39.000 0.025 0.000 1.130 387 F HN 0.398 nan 8.300 nan 0.000 0.454 388 D N 2.699 123.221 120.400 0.203 0.000 2.350 388 D HA 0.628 5.268 4.640 -0.001 0.000 0.238 388 D C -0.520 175.852 176.300 0.121 0.000 0.989 388 D CA -0.211 53.862 54.000 0.123 0.000 0.921 388 D CB 2.326 43.171 40.800 0.076 0.000 1.297 388 D HN 0.272 nan 8.370 nan 0.000 0.490 389 I N 0.889 121.512 120.570 0.088 0.000 2.498 389 I HA 0.253 4.423 4.170 -0.001 0.000 0.290 389 I C -0.241 175.939 176.117 0.105 0.000 1.032 389 I CA -0.676 60.684 61.300 0.101 0.000 1.073 389 I CB 1.875 39.887 38.000 0.020 0.000 1.251 389 I HN 0.050 nan 8.210 nan 0.000 0.426 390 E N 4.723 125.027 120.200 0.172 0.000 2.171 390 E HA 0.670 5.020 4.350 -0.001 0.000 0.271 390 E C -0.793 176.041 176.600 0.390 0.000 0.916 390 E CA -0.773 55.770 56.400 0.238 0.000 0.774 390 E CB 2.429 32.282 29.700 0.254 0.000 1.128 390 E HN 0.665 nan 8.360 nan 0.000 0.403 391 A N 3.440 126.446 122.820 0.309 0.000 2.312 391 A HA 0.249 4.569 4.320 -0.001 0.000 0.326 391 A C -0.871 176.846 177.584 0.221 0.000 1.172 391 A CA -0.671 51.552 52.037 0.309 0.000 0.821 391 A CB 0.645 19.736 19.000 0.152 0.000 1.166 391 A HN 0.796 nan 8.150 nan 0.000 0.493 392 W N 3.793 125.017 121.300 -0.127 0.000 2.253 392 W HA 0.441 5.101 4.660 -0.001 0.000 0.322 392 W C -1.338 175.064 176.519 -0.194 0.000 1.342 392 W CA -0.131 56.901 57.345 -0.521 0.000 1.218 392 W CB 0.571 29.707 29.460 -0.540 0.000 1.205 392 W HN 0.545 nan 8.180 nan 0.000 0.551 393 M N 9.561 128.535 119.600 -1.044 0.000 2.016 393 M HA 0.156 4.635 4.480 -0.001 0.000 0.315 393 M C -1.745 173.893 176.300 -1.104 0.000 0.930 393 M CA -1.763 53.082 55.300 -0.759 0.000 0.899 393 M CB 1.526 33.869 32.600 -0.429 0.000 1.401 393 M HN 0.115 nan 8.290 nan 0.000 0.386 394 P HA -0.207 nan 4.420 nan 0.000 0.217 394 P C 1.417 178.497 177.300 -0.368 0.000 1.158 394 P CA 1.808 64.622 63.100 -0.476 0.000 0.887 394 P CB 0.182 31.877 31.700 -0.009 0.000 0.792 395 G N -0.774 107.841 108.800 -0.308 0.000 2.394 395 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.215 395 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.215 395 G C 1.701 176.477 174.900 -0.207 0.000 1.165 395 G CA 0.502 45.470 45.100 -0.219 0.000 0.784 395 G HN 0.220 nan 8.290 nan 0.000 0.535 396 R N 0.304 120.654 120.500 -0.250 0.000 2.148 396 R HA 0.097 4.436 4.340 -0.001 0.000 0.227 396 R C 1.761 177.888 176.300 -0.289 0.000 1.103 396 R CA 1.075 57.032 56.100 -0.237 0.000 0.983 396 R CB -0.400 29.745 30.300 -0.259 0.000 0.874 396 R HN 0.428 nan 8.270 nan 0.000 0.451 397 G N 0.807 109.342 108.800 -0.442 0.000 2.176 397 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.252 397 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.252 397 G C -0.409 174.268 174.900 -0.371 0.000 1.024 397 G CA 0.604 45.478 45.100 -0.377 0.000 0.755 397 G HN 0.425 nan 8.290 nan 0.000 0.507 398 R N -1.947 118.164 120.500 -0.650 0.000 2.734 398 R HA 0.609 4.949 4.340 -0.001 0.000 0.271 398 R C -1.067 175.059 176.300 -0.290 0.000 1.021 398 R CA -1.041 54.912 56.100 -0.245 0.000 0.893 398 R CB 0.906 31.135 30.300 -0.119 0.000 1.244 398 R HN 0.024 nan 8.270 nan 0.000 0.464 399 F N 0.360 120.399 119.950 0.148 0.000 2.410 399 F HA 0.512 5.038 4.527 -0.001 0.000 0.348 399 F C 0.990 176.843 175.800 0.088 0.000 1.106 399 F CA 0.462 58.572 58.000 0.184 0.000 1.163 399 F CB 1.804 40.932 39.000 0.215 0.000 1.129 399 F HN 0.549 nan 8.300 nan 0.000 0.516 400 G N 2.742 111.701 108.800 0.265 0.000 2.617 400 G HA2 0.303 4.262 3.960 -0.001 0.000 0.306 400 G HA3 0.303 4.262 3.960 -0.001 0.000 0.306 400 G C -1.409 173.616 174.900 0.208 0.000 1.360 400 G CA -0.709 44.566 45.100 0.292 0.000 0.983 400 G HN 0.573 nan 8.290 nan 0.000 0.496 401 E N 0.751 121.048 120.200 0.163 0.000 2.493 401 E HA 0.112 4.461 4.350 -0.001 0.000 0.255 401 E C 1.079 177.650 176.600 -0.050 0.000 0.999 401 E CA -0.123 56.310 56.400 0.055 0.000 0.934 401 E CB 0.864 30.582 29.700 0.030 0.000 0.940 401 E HN 0.361 nan 8.360 nan 0.000 0.473 402 V N 0.733 120.625 119.914 -0.036 0.000 3.635 402 V HA 0.200 4.320 4.120 -0.001 0.000 0.266 402 V C 0.541 176.587 176.094 -0.080 0.000 1.316 402 V CA 0.615 62.859 62.300 -0.093 0.000 1.060 402 V CB 0.240 32.017 31.823 -0.077 0.000 0.820 402 V HN 0.670 nan 8.190 nan 0.000 0.447 403 T N -0.861 113.668 114.554 -0.041 0.000 2.868 403 T HA 0.740 5.090 4.350 -0.001 0.000 0.306 403 T C -0.572 174.139 174.700 0.019 0.000 1.224 403 T CA 0.230 62.318 62.100 -0.019 0.000 1.012 403 T CB 2.128 70.980 68.868 -0.027 0.000 1.221 403 T HN 1.029 nan 8.240 nan 0.000 0.499 404 S N 0.148 115.871 115.700 0.038 0.000 2.569 404 S HA 0.908 5.377 4.470 -0.001 0.000 0.280 404 S C -0.981 173.674 174.600 0.092 0.000 1.111 404 S CA -0.690 57.547 58.200 0.062 0.000 0.887 404 S CB 1.650 64.876 63.200 0.042 0.000 1.095 404 S HN 1.903 nan 8.310 nan 0.000 0.476 405 A N 1.403 124.292 122.820 0.115 0.000 2.437 405 A HA 0.805 5.125 4.320 -0.001 0.000 0.293 405 A C -0.668 176.962 177.584 0.076 0.000 1.038 405 A CA -0.645 51.486 52.037 0.157 0.000 0.708 405 A CB 1.489 20.643 19.000 0.257 0.000 1.251 405 A HN 0.900 nan 8.150 nan 0.000 0.409 406 S N 1.475 117.209 115.700 0.057 0.000 2.538 406 S HA 0.525 4.995 4.470 -0.001 0.000 0.288 406 S C -0.673 173.909 174.600 -0.030 0.000 1.108 406 S CA -0.688 57.496 58.200 -0.027 0.000 0.971 406 S CB 1.547 64.730 63.200 -0.029 0.000 1.041 406 S HN 0.749 nan 8.310 nan 0.000 0.483 407 N N 0.995 119.660 118.700 -0.058 0.000 2.426 407 N HA 0.244 4.983 4.740 -0.001 0.000 0.257 407 N C -0.266 175.222 175.510 -0.037 0.000 1.002 407 N CA -0.629 52.395 53.050 -0.044 0.000 0.942 407 N CB 0.517 39.011 38.487 0.012 0.000 1.112 407 N HN 0.579 nan 8.380 nan 0.000 0.499 408 C N 2.352 121.608 119.300 -0.073 0.000 2.780 408 C HA 0.146 4.606 4.460 -0.001 0.000 0.287 408 C C 1.552 176.466 174.990 -0.128 0.000 1.288 408 C CA 0.384 59.362 59.018 -0.067 0.000 1.713 408 C CB -2.157 25.570 27.740 -0.020 0.000 1.955 408 C HN 0.952 nan 8.230 nan 0.000 0.613 409 T N 1.417 115.807 114.554 -0.274 0.000 4.020 409 T HA -0.376 3.974 4.350 -0.001 0.000 0.128 409 T C 0.437 174.750 174.700 -0.645 0.000 1.679 409 T CA 2.223 63.878 62.100 -0.742 0.000 0.878 409 T CB -0.976 67.406 68.868 -0.810 0.000 1.020 409 T HN 0.518 nan 8.240 nan 0.000 0.391 410 D N 0.858 120.924 120.400 -0.557 0.000 2.427 410 D HA 0.293 4.933 4.640 -0.001 0.000 0.224 410 D C 1.212 177.428 176.300 -0.141 0.000 1.157 410 D CA -0.182 53.685 54.000 -0.221 0.000 0.828 410 D CB -0.544 40.181 40.800 -0.125 0.000 0.974 410 D HN 0.541 nan 8.370 nan 0.000 0.498 411 F N 1.547 121.374 119.950 -0.205 0.000 2.084 411 F HA -0.126 4.400 4.527 -0.001 0.000 0.296 411 F C 2.127 177.862 175.800 -0.107 0.000 1.111 411 F CA 1.693 59.606 58.000 -0.145 0.000 1.224 411 F CB 0.127 39.068 39.000 -0.098 0.000 0.991 411 F HN -0.093 nan 8.300 nan 0.000 0.471 412 Q N -0.275 119.639 119.800 0.191 0.000 2.123 412 Q HA -0.123 4.216 4.340 -0.001 0.000 0.199 412 Q C 2.404 178.416 176.000 0.019 0.000 0.966 412 Q CA 1.656 57.535 55.803 0.127 0.000 0.845 412 Q CB -0.404 28.466 28.738 0.220 0.000 0.907 412 Q HN 0.532 nan 8.270 nan 0.000 0.439 413 S N 0.901 116.618 115.700 0.028 0.000 2.402 413 S HA -0.111 4.359 4.470 -0.001 0.000 0.229 413 S C 1.857 176.420 174.600 -0.062 0.000 1.021 413 S CA 0.694 58.946 58.200 0.086 0.000 0.974 413 S CB -0.165 63.158 63.200 0.204 0.000 0.800 413 S HN 0.245 nan 8.310 nan 0.000 0.484 414 R N 0.680 120.942 120.500 -0.396 0.000 2.193 414 R HA 0.210 4.550 4.340 -0.001 0.000 0.213 414 R C 2.520 178.492 176.300 -0.546 0.000 1.055 414 R CA 0.845 56.469 56.100 -0.792 0.000 0.995 414 R CB -0.051 29.739 30.300 -0.850 0.000 0.893 414 R HN 0.451 nan 8.270 nan 0.000 0.459 415 R N -0.361 119.916 120.500 -0.372 0.000 2.128 415 R HA 0.128 4.467 4.340 -0.001 0.000 0.211 415 R C 1.435 177.670 176.300 -0.109 0.000 1.067 415 R CA 0.657 56.607 56.100 -0.250 0.000 1.010 415 R CB 0.278 30.436 30.300 -0.235 0.000 0.922 415 R HN 0.107 nan 8.270 nan 0.000 0.457 416 L N -0.157 121.044 121.223 -0.037 0.000 2.728 416 L HA 0.235 4.574 4.340 -0.001 0.000 0.238 416 L C -0.582 176.449 176.870 0.268 0.000 1.143 416 L CA -0.242 54.680 54.840 0.137 0.000 0.937 416 L CB -0.078 42.063 42.059 0.136 0.000 1.225 416 L HN 0.286 nan 8.230 nan 0.000 0.507 417 H N -0.248 118.949 119.070 0.212 0.000 2.672 417 H HA -0.145 4.411 4.556 -0.001 0.000 0.325 417 H C -0.173 175.303 175.328 0.245 0.000 1.158 417 H CA 0.383 56.599 56.048 0.281 0.000 1.134 417 H CB -1.851 28.024 29.762 0.190 0.000 1.553 417 H HN 0.266 nan 8.280 nan 0.000 0.419 418 I N 1.990 122.755 120.570 0.325 0.000 2.287 418 I HA 0.152 4.321 4.170 -0.001 0.000 0.290 418 I C 0.363 176.645 176.117 0.275 0.000 1.069 418 I CA -0.249 61.234 61.300 0.305 0.000 1.237 418 I CB 0.258 38.426 38.000 0.279 0.000 1.418 418 I HN 0.195 nan 8.210 nan 0.000 0.481 419 M N 6.439 126.161 119.600 0.204 0.000 2.762 419 M HA 0.583 5.063 4.480 -0.001 0.000 0.306 419 M C -0.492 175.920 176.300 0.187 0.000 1.223 419 M CA -0.768 54.583 55.300 0.086 0.000 0.896 419 M CB 1.557 34.102 32.600 -0.090 0.000 1.684 419 M HN 0.343 nan 8.290 nan 0.000 0.491 420 F N -0.477 119.500 119.950 0.044 0.000 2.563 420 F HA 0.783 5.310 4.527 -0.001 0.000 0.316 420 F C -0.785 175.060 175.800 0.076 0.000 1.076 420 F CA -0.831 57.208 58.000 0.066 0.000 0.921 420 F CB 1.599 40.623 39.000 0.040 0.000 1.209 420 F HN 0.639 nan 8.300 nan 0.000 0.462 421 Q N 2.455 122.410 119.800 0.258 0.000 2.321 421 Q HA 0.423 4.763 4.340 -0.001 0.000 0.270 421 Q C -0.622 175.525 176.000 0.245 0.000 1.032 421 Q CA -0.811 55.071 55.803 0.132 0.000 0.784 421 Q CB 2.207 30.994 28.738 0.082 0.000 1.264 421 Q HN 1.007 nan 8.270 nan 0.000 0.448 422 T N 0.273 114.919 114.554 0.154 0.000 2.726 422 T HA 0.125 4.475 4.350 -0.001 0.000 0.294 422 T C 1.042 175.773 174.700 0.052 0.000 1.013 422 T CA -0.521 61.634 62.100 0.091 0.000 0.996 422 T CB 0.633 69.477 68.868 -0.040 0.000 1.016 422 T HN 0.594 nan 8.240 nan 0.000 0.529 423 E N 0.604 120.809 120.200 0.008 0.000 2.160 423 E HA -0.141 4.209 4.350 -0.001 0.000 0.195 423 E C 2.365 178.966 176.600 0.002 0.000 0.991 423 E CA 1.533 57.942 56.400 0.014 0.000 0.810 423 E CB -0.854 28.842 29.700 -0.007 0.000 0.742 423 E HN 0.826 nan 8.360 nan 0.000 0.466 424 A N -0.251 122.559 122.820 -0.018 0.000 2.014 424 A HA 0.152 4.471 4.320 -0.001 0.000 0.218 424 A C 1.888 179.463 177.584 -0.015 0.000 1.163 424 A CA 1.710 53.736 52.037 -0.019 0.000 0.652 424 A CB -0.065 18.916 19.000 -0.032 0.000 0.808 424 A HN 0.348 nan 8.150 nan 0.000 0.449 425 G N -1.095 107.698 108.800 -0.011 0.000 2.205 425 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.180 425 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.180 425 G C 0.018 174.894 174.900 -0.040 0.000 1.004 425 G CA 0.248 45.338 45.100 -0.016 0.000 0.670 425 G HN 0.718 nan 8.290 nan 0.000 0.496 426 E N 0.903 121.073 120.200 -0.051 0.000 2.376 426 E HA 0.433 4.783 4.350 -0.001 0.000 0.266 426 E C 0.198 176.710 176.600 -0.147 0.000 1.009 426 E CA -0.286 56.062 56.400 -0.086 0.000 0.902 426 E CB 0.224 29.878 29.700 -0.078 0.000 0.972 426 E HN 0.373 nan 8.360 nan 0.000 0.439 427 L N 4.392 125.497 121.223 -0.197 0.000 2.322 427 L HA 0.389 4.728 4.340 -0.001 0.000 0.279 427 L C 0.016 176.611 176.870 -0.459 0.000 1.036 427 L CA -0.544 54.109 54.840 -0.312 0.000 0.807 427 L CB 1.510 43.418 42.059 -0.251 0.000 1.226 427 L HN 0.633 nan 8.230 nan 0.000 0.433 428 Q N 1.646 121.006 119.800 -0.733 0.000 2.416 428 Q HA 0.468 4.807 4.340 -0.001 0.000 0.281 428 Q C -1.513 174.102 176.000 -0.642 0.000 1.067 428 Q CA -0.876 54.482 55.803 -0.740 0.000 0.809 428 Q CB 2.814 31.019 28.738 -0.888 0.000 1.418 428 Q HN 0.273 nan 8.270 nan 0.000 0.411 429 F N 1.304 121.196 119.950 -0.098 0.000 2.495 429 F HA 0.369 4.896 4.527 -0.001 0.000 0.365 429 F C 0.811 176.787 175.800 0.294 0.000 1.090 429 F CA -0.133 57.909 58.000 0.071 0.000 1.235 429 F CB 0.529 39.572 39.000 0.072 0.000 1.119 429 F HN 0.570 nan 8.300 nan 0.000 0.562 430 A N 4.101 127.234 122.820 0.520 0.000 2.259 430 A HA 0.411 4.731 4.320 -0.001 0.000 0.278 430 A C -0.431 177.393 177.584 0.399 0.000 1.107 430 A CA -0.381 51.941 52.037 0.475 0.000 0.828 430 A CB 0.312 19.496 19.000 0.306 0.000 1.111 430 A HN 0.850 nan 8.150 nan 0.000 0.498 431 H N -1.027 118.052 119.070 0.015 0.000 2.573 431 H HA 0.544 5.100 4.556 -0.001 0.000 0.351 431 H C -0.367 174.880 175.328 -0.135 0.000 1.163 431 H CA -0.222 55.794 56.048 -0.055 0.000 1.205 431 H CB 1.853 31.553 29.762 -0.104 0.000 1.605 431 H HN 0.792 nan 8.280 nan 0.000 0.525 432 T N -0.215 114.303 114.554 -0.059 0.000 2.887 432 T HA 0.607 4.957 4.350 -0.001 0.000 0.288 432 T C -0.619 173.920 174.700 -0.268 0.000 1.021 432 T CA -0.790 61.162 62.100 -0.247 0.000 1.000 432 T CB 1.528 70.266 68.868 -0.216 0.000 1.034 432 T HN 0.236 nan 8.240 nan 0.000 0.467 433 V N 2.699 122.371 119.914 -0.403 0.000 2.841 433 V HA 0.740 4.860 4.120 -0.001 0.000 0.310 433 V C -0.907 175.101 176.094 -0.142 0.000 1.090 433 V CA -1.089 61.068 62.300 -0.239 0.000 0.930 433 V CB 1.908 33.537 31.823 -0.324 0.000 1.014 433 V HN 1.222 nan 8.190 nan 0.000 0.425 434 N N 1.825 120.570 118.700 0.075 0.000 2.284 434 N HA 0.911 5.651 4.740 -0.001 0.000 0.289 434 N C -1.035 174.639 175.510 0.274 0.000 1.179 434 N CA -0.424 52.756 53.050 0.217 0.000 0.774 434 N CB 2.607 41.224 38.487 0.216 0.000 1.548 434 N HN 1.054 nan 8.380 nan 0.000 0.473 435 A N 0.280 123.225 122.820 0.209 0.000 2.577 435 A HA 0.615 4.935 4.320 -0.001 0.000 0.297 435 A C -0.983 176.613 177.584 0.020 0.000 1.060 435 A CA -0.846 51.272 52.037 0.134 0.000 0.697 435 A CB 0.945 20.070 19.000 0.209 0.000 1.281 435 A HN 0.629 nan 8.150 nan 0.000 0.402 436 T N 1.824 116.393 114.554 0.024 0.000 2.834 436 T HA 0.399 4.749 4.350 -0.001 0.000 0.298 436 T C 1.519 176.180 174.700 -0.065 0.000 0.966 436 T CA 0.737 62.833 62.100 -0.006 0.000 1.141 436 T CB 1.265 70.135 68.868 0.004 0.000 0.905 436 T HN 1.037 nan 8.240 nan 0.000 0.535 437 G N 1.541 110.286 108.800 -0.093 0.000 2.447 437 G HA2 0.151 4.111 3.960 -0.001 0.000 0.211 437 G HA3 0.151 4.111 3.960 -0.001 0.000 0.211 437 G C 0.499 175.349 174.900 -0.084 0.000 1.184 437 G CA 0.644 45.659 45.100 -0.141 0.000 0.813 437 G HN 1.000 nan 8.290 nan 0.000 0.540 438 C N -1.816 117.453 119.300 -0.051 0.000 3.094 438 C HA 0.792 5.251 4.460 -0.001 0.000 0.414 438 C C -0.450 174.537 174.990 -0.005 0.000 0.993 438 C CA -0.889 58.110 59.018 -0.032 0.000 1.217 438 C CB 0.846 28.575 27.740 -0.018 0.000 1.603 438 C HN 0.737 nan 8.230 nan 0.000 0.564 439 A N 3.910 126.720 122.820 -0.018 0.000 2.258 439 A HA 0.667 4.987 4.320 -0.001 0.000 0.316 439 A C 0.669 178.222 177.584 -0.052 0.000 1.279 439 A CA -0.321 51.722 52.037 0.011 0.000 0.876 439 A CB 0.771 19.733 19.000 -0.063 0.000 1.170 439 A HN 1.576 nan 8.150 nan 0.000 0.520 440 V N 4.213 124.131 119.914 0.007 0.000 2.255 440 V HA -0.163 3.956 4.120 -0.001 0.000 0.247 440 V C -0.327 175.690 176.094 -0.128 0.000 1.051 440 V CA 2.663 64.940 62.300 -0.038 0.000 1.018 440 V CB -1.569 30.266 31.823 0.021 0.000 0.641 440 V HN 0.713 nan 8.190 nan 0.000 0.445 441 P HA -0.208 nan 4.420 nan 0.000 0.214 441 P C 1.684 178.777 177.300 -0.346 0.000 1.172 441 P CA 1.809 64.712 63.100 -0.329 0.000 0.925 441 P CB -0.157 31.266 31.700 -0.461 0.000 0.793 442 R N -1.110 119.169 120.500 -0.367 0.000 2.189 442 R HA 0.039 4.378 4.340 -0.001 0.000 0.218 442 R C 2.337 178.509 176.300 -0.213 0.000 1.074 442 R CA 0.714 56.619 56.100 -0.325 0.000 0.991 442 R CB -0.711 29.360 30.300 -0.382 0.000 0.883 442 R HN 0.265 nan 8.270 nan 0.000 0.457 443 L N 0.350 121.468 121.223 -0.174 0.000 2.156 443 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 443 L C 2.189 178.998 176.870 -0.101 0.000 1.095 443 L CA 0.905 55.680 54.840 -0.110 0.000 0.770 443 L CB -0.270 41.735 42.059 -0.089 0.000 0.914 443 L HN 0.202 nan 8.230 nan 0.000 0.439 444 L N -0.325 120.817 121.223 -0.135 0.000 2.046 444 L HA -0.238 4.102 4.340 -0.001 0.000 0.208 444 L C 2.481 179.270 176.870 -0.135 0.000 1.077 444 L CA 1.351 56.123 54.840 -0.112 0.000 0.747 444 L CB -0.361 41.624 42.059 -0.124 0.000 0.896 444 L HN 0.226 nan 8.230 nan 0.000 0.432 445 I N -0.085 120.324 120.570 -0.268 0.000 2.142 445 I HA -0.311 3.859 4.170 -0.001 0.000 0.240 445 I C 2.836 178.865 176.117 -0.146 0.000 1.078 445 I CA 1.356 62.443 61.300 -0.355 0.000 1.343 445 I CB -0.522 37.179 38.000 -0.499 0.000 1.046 445 I HN 0.207 nan 8.210 nan 0.000 0.405 446 A N 0.902 123.656 122.820 -0.109 0.000 1.902 446 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 446 A C 2.311 179.927 177.584 0.053 0.000 1.181 446 A CA 1.476 53.489 52.037 -0.040 0.000 0.623 446 A CB -0.846 18.147 19.000 -0.010 0.000 0.818 446 A HN 0.374 nan 8.150 nan 0.000 0.443 447 L N -0.770 120.502 121.223 0.081 0.000 2.005 447 L HA -0.158 4.182 4.340 -0.001 0.000 0.207 447 L C 2.615 179.631 176.870 0.242 0.000 1.072 447 L CA 1.125 56.093 54.840 0.213 0.000 0.744 447 L CB -0.579 41.539 42.059 0.099 0.000 0.895 447 L HN 0.365 nan 8.230 nan 0.000 0.433 448 L N -0.475 120.822 121.223 0.124 0.000 2.042 448 L HA -0.225 4.115 4.340 -0.001 0.000 0.210 448 L C 2.495 179.446 176.870 0.135 0.000 1.076 448 L CA 1.436 56.354 54.840 0.130 0.000 0.749 448 L CB -0.503 41.616 42.059 0.101 0.000 0.893 448 L HN 0.317 nan 8.230 nan 0.000 0.432 449 E N -0.695 119.554 120.200 0.082 0.000 2.208 449 E HA -0.105 4.245 4.350 -0.001 0.000 0.193 449 E C 2.241 178.901 176.600 0.101 0.000 0.988 449 E CA 1.033 57.448 56.400 0.025 0.000 0.828 449 E CB 0.108 29.768 29.700 -0.066 0.000 0.763 449 E HN 0.355 nan 8.360 nan 0.000 0.478 450 S N -0.114 115.670 115.700 0.140 0.000 2.446 450 S HA -0.012 4.457 4.470 -0.001 0.000 0.225 450 S C 1.006 175.614 174.600 0.015 0.000 1.016 450 S CA 0.481 58.753 58.200 0.119 0.000 0.943 450 S CB 0.058 63.224 63.200 -0.056 0.000 0.786 450 S HN 0.288 nan 8.310 nan 0.000 0.508 451 Y N 2.245 122.670 120.300 0.209 0.000 2.458 451 Y HA 0.251 4.801 4.550 -0.001 0.000 0.256 451 Y C 0.998 177.032 175.900 0.223 0.000 1.159 451 Y CA -0.796 57.414 58.100 0.183 0.000 1.261 451 Y CB -0.156 38.366 38.460 0.104 0.000 1.119 451 Y HN 0.319 nan 8.280 nan 0.000 0.524 452 Q N 0.669 120.691 119.800 0.371 0.000 2.395 452 Q HA 0.151 4.491 4.340 -0.001 0.000 0.271 452 Q C -0.495 175.769 176.000 0.440 0.000 1.026 452 Q CA 0.020 56.011 55.803 0.314 0.000 0.900 452 Q CB 0.713 29.577 28.738 0.211 0.000 1.266 452 Q HN 0.158 nan 8.270 nan 0.000 0.430 453 Q N 1.404 121.372 119.800 0.282 0.000 2.297 453 Q HA 0.176 4.515 4.340 -0.001 0.000 0.269 453 Q C 0.155 176.068 176.000 -0.145 0.000 1.051 453 Q CA -0.624 55.309 55.803 0.216 0.000 0.869 453 Q CB 1.569 30.375 28.738 0.112 0.000 1.346 453 Q HN 0.809 nan 8.270 nan 0.000 0.457 454 K N 0.936 121.081 120.400 -0.425 0.000 2.103 454 K HA -0.194 4.125 4.320 -0.001 0.000 0.207 454 K C 0.795 177.088 176.600 -0.513 0.000 1.048 454 K CA 2.053 57.736 56.287 -1.007 0.000 0.930 454 K CB 0.123 32.268 32.500 -0.592 0.000 0.716 454 K HN 0.612 nan 8.250 nan 0.000 0.444 455 D N -1.436 118.814 120.400 -0.250 0.000 2.352 455 D HA 0.005 4.645 4.640 -0.001 0.000 0.232 455 D C 1.053 177.280 176.300 -0.122 0.000 1.055 455 D CA 0.909 54.816 54.000 -0.155 0.000 0.891 455 D CB 0.155 40.903 40.800 -0.086 0.000 0.897 455 D HN 0.447 nan 8.370 nan 0.000 0.529 456 G N -0.109 108.610 108.800 -0.135 0.000 2.217 456 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.246 456 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.246 456 G C 0.472 175.362 174.900 -0.018 0.000 0.990 456 G CA 0.379 45.435 45.100 -0.073 0.000 0.627 456 G HN 0.833 nan 8.290 nan 0.000 0.522 457 S N -0.766 114.931 115.700 -0.006 0.000 2.624 457 S HA 0.715 5.184 4.470 -0.001 0.000 0.263 457 S C -0.041 174.600 174.600 0.067 0.000 1.287 457 S CA -0.000 58.215 58.200 0.026 0.000 0.990 457 S CB 2.433 65.647 63.200 0.023 0.000 0.950 457 S HN 1.135 nan 8.310 nan 0.000 0.561 458 V N 1.953 121.913 119.914 0.077 0.000 2.577 458 V HA 0.353 4.473 4.120 -0.001 0.000 0.303 458 V C -0.166 175.987 176.094 0.098 0.000 1.042 458 V CA -0.779 61.593 62.300 0.119 0.000 0.872 458 V CB 1.372 33.260 31.823 0.107 0.000 0.998 458 V HN 0.855 nan 8.190 nan 0.000 0.423 459 L N 4.300 125.613 121.223 0.150 0.000 2.439 459 L HA 0.425 4.764 4.340 -0.001 0.000 0.269 459 L C -0.214 176.599 176.870 -0.096 0.000 1.179 459 L CA -0.379 54.510 54.840 0.082 0.000 0.828 459 L CB 1.235 43.404 42.059 0.183 0.000 1.106 459 L HN 0.357 nan 8.230 nan 0.000 0.467 460 V N 3.456 123.283 119.914 -0.144 0.000 2.394 460 V HA 0.257 4.377 4.120 -0.001 0.000 0.282 460 V C -2.071 173.818 176.094 -0.341 0.000 1.031 460 V CA -1.799 60.351 62.300 -0.250 0.000 0.881 460 V CB 1.299 33.052 31.823 -0.117 0.000 0.982 460 V HN 0.625 nan 8.190 nan 0.000 0.451 461 P HA 0.132 nan 4.420 nan 0.000 0.265 461 P C -2.062 175.126 177.300 -0.186 0.000 1.193 461 P CA -0.974 61.880 63.100 -0.410 0.000 0.765 461 P CB 0.191 31.637 31.700 -0.424 0.000 0.823 462 P HA -0.282 nan 4.420 nan 0.000 0.217 462 P C 1.231 178.509 177.300 -0.037 0.000 1.151 462 P CA 2.116 65.190 63.100 -0.043 0.000 0.849 462 P CB -0.298 31.398 31.700 -0.005 0.000 0.787 463 A N -1.120 121.656 122.820 -0.074 0.000 1.978 463 A HA -0.141 4.178 4.320 -0.001 0.000 0.220 463 A C 2.008 179.571 177.584 -0.034 0.000 1.170 463 A CA 1.424 53.411 52.037 -0.083 0.000 0.636 463 A CB -1.392 17.404 19.000 -0.340 0.000 0.810 463 A HN 0.187 nan 8.150 nan 0.000 0.448 464 L N -1.333 119.844 121.223 -0.077 0.000 2.585 464 L HA 0.022 4.362 4.340 -0.001 0.000 0.226 464 L C 2.322 179.263 176.870 0.119 0.000 1.113 464 L CA 0.094 54.980 54.840 0.076 0.000 0.876 464 L CB -0.262 41.751 42.059 -0.077 0.000 1.072 464 L HN 0.430 nan 8.230 nan 0.000 0.468 465 Q N 0.671 120.483 119.800 0.020 0.000 2.135 465 Q HA -0.187 4.152 4.340 -0.001 0.000 0.204 465 Q C -0.531 175.457 176.000 -0.019 0.000 0.981 465 Q CA 1.589 57.391 55.803 -0.002 0.000 0.856 465 Q CB -0.835 27.888 28.738 -0.024 0.000 0.902 465 Q HN 0.415 nan 8.270 nan 0.000 0.425 466 P HA -0.160 nan 4.420 nan 0.000 0.220 466 P C 0.283 177.413 177.300 -0.282 0.000 1.148 466 P CA 1.249 64.210 63.100 -0.232 0.000 0.803 466 P CB -0.024 31.448 31.700 -0.382 0.000 0.782 467 Y N -2.046 118.266 120.300 0.021 0.000 2.448 467 Y HA 0.051 4.601 4.550 -0.001 0.000 0.289 467 Y C 2.144 178.062 175.900 0.031 0.000 1.114 467 Y CA 0.424 58.545 58.100 0.035 0.000 1.235 467 Y CB -0.577 37.913 38.460 0.052 0.000 1.045 467 Y HN -0.150 nan 8.280 nan 0.000 0.554 468 L N -1.247 120.064 121.223 0.147 0.000 2.307 468 L HA 0.196 4.535 4.340 -0.001 0.000 0.211 468 L C 1.658 178.558 176.870 0.050 0.000 1.099 468 L CA 1.511 56.404 54.840 0.088 0.000 0.816 468 L CB -1.115 40.975 42.059 0.053 0.000 0.952 468 L HN 0.468 nan 8.230 nan 0.000 0.455 469 G N 0.635 109.450 108.800 0.025 0.000 2.155 469 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.257 469 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.257 469 G C 0.435 175.340 174.900 0.008 0.000 0.983 469 G CA 0.828 45.933 45.100 0.008 0.000 0.676 469 G HN 0.435 nan 8.290 nan 0.000 0.528 470 T N -1.283 113.276 114.554 0.008 0.000 2.802 470 T HA 0.491 4.841 4.350 -0.001 0.000 0.311 470 T C 0.039 174.737 174.700 -0.003 0.000 1.405 470 T CA 0.658 62.761 62.100 0.005 0.000 1.016 470 T CB 1.255 70.131 68.868 0.012 0.000 1.352 470 T HN 0.250 nan 8.240 nan 0.000 0.498 471 D N 1.270 121.668 120.400 -0.004 0.000 2.369 471 D HA 0.187 4.826 4.640 -0.001 0.000 0.211 471 D C 0.595 176.892 176.300 -0.005 0.000 1.077 471 D CA -0.084 53.910 54.000 -0.011 0.000 0.842 471 D CB 0.342 41.140 40.800 -0.003 0.000 0.947 471 D HN 0.463 nan 8.370 nan 0.000 0.509 472 R N 0.459 120.961 120.500 0.004 0.000 2.515 472 R HA 0.401 4.741 4.340 -0.001 0.000 0.278 472 R C -1.545 174.766 176.300 0.018 0.000 1.107 472 R CA -0.632 55.477 56.100 0.016 0.000 0.945 472 R CB 1.167 31.482 30.300 0.024 0.000 1.219 472 R HN -0.048 nan 8.270 nan 0.000 0.434 473 I N 4.512 125.095 120.570 0.023 0.000 2.352 473 I HA 0.220 4.390 4.170 -0.001 0.000 0.290 473 I C 0.618 176.751 176.117 0.026 0.000 1.036 473 I CA -0.066 61.250 61.300 0.027 0.000 1.336 473 I CB 1.610 39.629 38.000 0.031 0.000 1.407 473 I HN 0.696 nan 8.210 nan 0.000 0.497 474 T N 0.528 115.095 114.554 0.021 0.000 2.883 474 T HA 0.423 4.772 4.350 -0.001 0.000 0.284 474 T C 0.114 174.817 174.700 0.006 0.000 1.041 474 T CA -0.873 61.234 62.100 0.011 0.000 1.007 474 T CB 1.423 70.295 68.868 0.006 0.000 1.220 474 T HN 0.577 nan 8.240 nan 0.000 0.552 475 T N 0.698 115.245 114.554 -0.011 0.000 2.908 475 T HA 0.352 4.701 4.350 -0.001 0.000 0.301 475 T C -2.300 172.379 174.700 -0.036 0.000 1.019 475 T CA -0.836 61.245 62.100 -0.030 0.000 1.152 475 T CB -0.819 68.022 68.868 -0.045 0.000 0.966 475 T HN 0.520 nan 8.240 nan 0.000 0.540 476 P HA 0.263 nan 4.420 nan 0.000 0.273 476 P C 0.959 178.195 177.300 -0.107 0.000 1.250 476 P CA -0.611 62.456 63.100 -0.055 0.000 0.793 476 P CB 0.345 32.001 31.700 -0.073 0.000 1.011 477 T N -2.056 112.483 114.554 -0.025 0.000 3.009 477 T HA -0.035 4.315 4.350 -0.001 0.000 0.258 477 T C 0.836 175.519 174.700 -0.028 0.000 1.063 477 T CA 0.562 62.652 62.100 -0.017 0.000 1.139 477 T CB -0.613 68.275 68.868 0.033 0.000 0.890 477 T HN 0.575 nan 8.240 nan 0.000 0.471 478 H N 1.054 120.129 119.070 0.009 0.000 2.757 478 H HA 0.313 4.869 4.556 -0.001 0.000 0.370 478 H C -0.500 174.832 175.328 0.007 0.000 1.172 478 H CA -0.303 55.750 56.048 0.008 0.000 1.426 478 H CB 0.177 29.945 29.762 0.011 0.000 1.438 478 H HN -0.088 nan 8.280 nan 0.000 0.612 479 V N 3.974 123.938 119.914 0.084 0.000 2.461 479 V HA 0.140 4.260 4.120 -0.001 0.000 0.275 479 V C -1.752 174.423 176.094 0.135 0.000 1.047 479 V CA -1.428 60.888 62.300 0.026 0.000 0.955 479 V CB 0.548 32.394 31.823 0.039 0.000 0.988 479 V HN 0.725 nan 8.190 nan 0.000 0.471 480 P HA 0.112 nan 4.420 nan 0.000 0.267 480 P C -0.090 177.275 177.300 0.108 0.000 1.200 480 P CA -0.191 62.986 63.100 0.129 0.000 0.772 480 P CB 0.383 32.110 31.700 0.045 0.000 0.855 481 L N 2.331 123.617 121.223 0.105 0.000 2.514 481 L HA -0.025 4.315 4.340 -0.001 0.000 0.280 481 L C 0.912 177.826 176.870 0.072 0.000 1.223 481 L CA 0.639 55.521 54.840 0.069 0.000 0.864 481 L CB -0.210 41.878 42.059 0.048 0.000 1.118 481 L HN 0.348 nan 8.230 nan 0.000 0.494 482 Q N 2.418 122.259 119.800 0.067 0.000 2.331 482 Q HA 0.251 4.591 4.340 -0.001 0.000 0.267 482 Q C -1.128 174.935 176.000 0.105 0.000 1.006 482 Q CA -0.724 55.126 55.803 0.079 0.000 0.818 482 Q CB 2.286 31.051 28.738 0.046 0.000 1.276 482 Q HN 0.450 nan 8.270 nan 0.000 0.450 483 Y N 3.265 123.574 120.300 0.015 0.000 2.465 483 Y HA 0.078 4.628 4.550 -0.001 0.000 0.331 483 Y C 0.510 176.420 175.900 0.017 0.000 1.102 483 Y CA 0.006 58.117 58.100 0.019 0.000 1.358 483 Y CB 0.451 38.927 38.460 0.026 0.000 1.213 483 Y HN 0.650 nan 8.280 nan 0.000 0.525 484 I N 3.323 123.566 120.570 -0.547 0.000 3.947 484 I HA 0.499 4.669 4.170 -0.001 0.000 0.327 484 I C 0.740 176.489 176.117 -0.614 0.000 1.519 484 I CA -0.385 60.646 61.300 -0.449 0.000 1.122 484 I CB 0.041 37.920 38.000 -0.202 0.000 1.146 484 I HN 0.571 nan 8.210 nan 0.000 0.442 485 G N 1.683 109.698 108.800 -1.309 0.000 2.621 485 G HA2 0.446 4.406 3.960 -0.001 0.000 0.271 485 G HA3 0.446 4.406 3.960 -0.001 0.000 0.271 485 G C -1.794 172.906 174.900 -0.333 0.000 1.236 485 G CA -0.855 43.808 45.100 -0.729 0.000 0.958 485 G HN 0.122 nan 8.290 nan 0.000 0.512 486 P HA -0.042 nan 4.420 nan 0.000 0.217 486 P C 0.654 178.037 177.300 0.138 0.000 1.151 486 P CA 0.715 63.839 63.100 0.040 0.000 0.828 486 P CB 0.065 31.790 31.700 0.040 0.000 0.788 487 N N 1.215 120.072 118.700 0.263 0.000 3.127 487 N HA 0.013 4.753 4.740 -0.001 0.000 0.317 487 N C 0.069 175.749 175.510 0.284 0.000 1.242 487 N CA -0.095 53.104 53.050 0.248 0.000 1.203 487 N CB -0.499 38.119 38.487 0.218 0.000 1.462 487 N HN 0.418 nan 8.380 nan 0.000 0.546 488 Q N -0.900 119.036 119.800 0.228 0.000 2.353 488 Q HA 0.475 4.815 4.340 -0.001 0.000 0.275 488 Q C -3.216 172.848 176.000 0.107 0.000 1.029 488 Q CA -2.026 53.891 55.803 0.191 0.000 0.848 488 Q CB 0.940 29.857 28.738 0.297 0.000 1.390 488 Q HN -0.083 nan 8.270 nan 0.000 0.401 489 P HA 0.062 nan 4.420 nan 0.000 0.263 489 P C -1.093 176.233 177.300 0.042 0.000 1.195 489 P CA 0.470 63.600 63.100 0.050 0.000 0.762 489 P CB 0.502 32.225 31.700 0.038 0.000 0.799 490 Q N 0.000 119.820 119.800 0.033 0.000 2.315 490 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 490 Q CA 0.000 55.817 55.803 0.024 0.000 1.022 490 Q CB 0.000 28.752 28.738 0.023 0.000 1.108 490 Q HN 0.000 nan 8.270 nan 0.000 0.481