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 13pk_1_C DATA FIRST_RESID 5 DATA SEQUENCE EKKSINECDL KGKKVLIRVD FNVPVKNGKI TNDYRIRSAL PTLKKVLTEG DATA SEQUENCE GSCVLMSHLG RPKGIPMAQA GKIRSTGGVP GFQQKATLKP VAKRLSELLL DATA SEQUENCE RPVTFAPDCL NAADVVSKMS PGDVVLLENV RFYKEEGSKK AKDREAMAKI DATA SEQUENCE LASYGDVYIS DAFGTAHRDS ATMTGIPKIL GNGAAGYLME KEISYFAKVL DATA SEQUENCE GNPPRPLVAI VGGAKVSDKI QLLDNMLQRI DYLLIGGAMA YTFLKAQGYS DATA SEQUENCE IGKSKCEESK LEFARSLLKK AEDRKVQVIL PIDHVCHTEF KAVDSPLITE DATA SEQUENCE DQNIPEGHMA LDIGPKTIEK YVQTIGKCKS AIWNGPMGVF EMVPYSKGTF DATA SEQUENCE AIAKAMGRGT HEHGLMSIIG GGDSASAAEL SGEAKRMSHV STGGGASLEL DATA SEQUENCE LEGKTLPGVT VLDDK 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 5 E HA 0.000 nan 4.350 nan 0.000 0.291 5 E C 0.000 176.625 176.600 0.041 0.000 1.382 5 E CA 0.000 56.422 56.400 0.036 0.000 0.976 5 E CB 0.000 29.723 29.700 0.038 0.000 0.812 6 K N 1.252 121.681 120.400 0.048 0.000 2.203 6 K HA 0.404 4.724 4.320 -0.000 0.000 0.251 6 K C -0.946 175.682 176.600 0.047 0.000 0.944 6 K CA -0.660 55.658 56.287 0.051 0.000 0.829 6 K CB 1.643 34.181 32.500 0.063 0.000 1.125 6 K HN 0.292 nan 8.250 nan 0.000 0.430 7 K N 1.127 121.553 120.400 0.043 0.000 2.350 7 K HA 0.100 4.420 4.320 -0.000 0.000 0.279 7 K C -0.060 176.559 176.600 0.033 0.000 1.027 7 K CA 0.126 56.435 56.287 0.037 0.000 0.969 7 K CB 0.730 33.250 32.500 0.034 0.000 0.954 7 K HN 0.581 nan 8.250 nan 0.000 0.474 8 S N 3.346 119.065 115.700 0.031 0.000 2.681 8 S HA 0.251 4.721 4.470 -0.000 0.000 0.299 8 S C 1.610 176.193 174.600 -0.027 0.000 1.113 8 S CA -0.888 57.322 58.200 0.016 0.000 1.013 8 S CB 0.624 63.868 63.200 0.074 0.000 1.076 8 S HN 0.596 nan 8.310 nan 0.000 0.534 9 I N 1.629 122.124 120.570 -0.125 0.000 2.315 9 I HA -0.230 3.940 4.170 -0.000 0.000 0.251 9 I C 1.915 177.996 176.117 -0.060 0.000 1.125 9 I CA 1.693 62.897 61.300 -0.161 0.000 1.392 9 I CB -1.081 36.699 38.000 -0.368 0.000 1.065 9 I HN 0.620 nan 8.210 nan 0.000 0.424 10 N N 1.009 119.717 118.700 0.013 0.000 2.192 10 N HA -0.197 4.543 4.740 -0.000 0.000 0.188 10 N C 1.445 176.983 175.510 0.045 0.000 1.013 10 N CA 1.332 54.429 53.050 0.078 0.000 0.863 10 N CB -0.092 38.478 38.487 0.139 0.000 0.990 10 N HN 0.424 nan 8.380 nan 0.000 0.430 11 E N -0.512 119.706 120.200 0.031 0.000 2.489 11 E HA 0.105 4.455 4.350 -0.000 0.000 0.193 11 E C -0.420 176.191 176.600 0.017 0.000 1.057 11 E CA 0.018 56.433 56.400 0.026 0.000 0.866 11 E CB 0.207 29.923 29.700 0.027 0.000 0.916 11 E HN 0.325 nan 8.360 nan 0.000 0.500 12 C N 0.867 120.172 119.300 0.008 0.000 2.364 12 C HA 0.380 4.839 4.460 -0.000 0.000 0.356 12 C C 0.266 175.260 174.990 0.007 0.000 1.201 12 C CA -1.445 57.576 59.018 0.004 0.000 2.227 12 C CB 0.722 28.457 27.740 -0.009 0.000 2.387 12 C HN 0.230 nan 8.230 nan 0.000 0.546 13 D N 0.966 121.371 120.400 0.009 0.000 2.313 13 D HA 0.373 5.013 4.640 -0.000 0.000 0.239 13 D C 0.325 176.629 176.300 0.007 0.000 1.142 13 D CA -0.159 53.847 54.000 0.010 0.000 0.847 13 D CB 0.505 41.312 40.800 0.012 0.000 1.082 13 D HN 0.517 nan 8.370 nan 0.000 0.480 14 L N 2.398 123.625 121.223 0.006 0.000 2.609 14 L HA 0.210 4.550 4.340 -0.000 0.000 0.230 14 L C 0.992 177.866 176.870 0.007 0.000 1.087 14 L CA -0.415 54.427 54.840 0.003 0.000 0.874 14 L CB -0.155 41.901 42.059 -0.005 0.000 1.114 14 L HN 0.190 nan 8.230 nan 0.000 0.488 15 K N 1.792 122.198 120.400 0.010 0.000 2.473 15 K HA 0.079 4.399 4.320 -0.000 0.000 0.277 15 K C 1.192 177.798 176.600 0.010 0.000 1.052 15 K CA 1.075 57.368 56.287 0.011 0.000 1.114 15 K CB -0.069 32.438 32.500 0.011 0.000 0.869 15 K HN 0.276 nan 8.250 nan 0.000 0.481 16 G N 3.287 112.093 108.800 0.010 0.000 2.212 16 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.267 16 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.267 16 G C -0.395 174.512 174.900 0.012 0.000 1.002 16 G CA 0.876 45.983 45.100 0.010 0.000 0.729 16 G HN 0.571 nan 8.290 nan 0.000 0.517 17 K N -0.136 120.271 120.400 0.011 0.000 2.156 17 K HA 0.443 4.763 4.320 -0.000 0.000 0.254 17 K C 0.063 176.672 176.600 0.015 0.000 0.950 17 K CA -0.830 55.466 56.287 0.014 0.000 0.849 17 K CB 1.566 34.075 32.500 0.014 0.000 1.100 17 K HN 0.085 nan 8.250 nan 0.000 0.434 18 K N 2.039 122.452 120.400 0.022 0.000 2.284 18 K HA 0.182 4.502 4.320 -0.000 0.000 0.287 18 K C -0.592 176.026 176.600 0.029 0.000 1.081 18 K CA -0.399 55.903 56.287 0.025 0.000 0.910 18 K CB 0.860 33.382 32.500 0.036 0.000 1.088 18 K HN 0.231 nan 8.250 nan 0.000 0.478 19 V N 4.900 124.822 119.914 0.013 0.000 2.407 19 V HA 0.142 4.262 4.120 -0.000 0.000 0.278 19 V C -0.141 175.953 176.094 -0.001 0.000 1.037 19 V CA -0.913 61.388 62.300 0.001 0.000 0.900 19 V CB 0.937 32.741 31.823 -0.033 0.000 0.983 19 V HN 0.509 nan 8.190 nan 0.000 0.459 20 L N 6.797 128.035 121.223 0.026 0.000 2.261 20 L HA 0.492 4.832 4.340 -0.000 0.000 0.289 20 L C -0.129 176.669 176.870 -0.120 0.000 1.059 20 L CA 0.340 55.207 54.840 0.046 0.000 0.816 20 L CB 0.550 42.735 42.059 0.210 0.000 1.191 20 L HN 0.470 nan 8.230 nan 0.000 0.431 21 I N 4.286 124.768 120.570 -0.146 0.000 2.406 21 I HA 0.424 4.594 4.170 -0.000 0.000 0.290 21 I C 0.158 176.133 176.117 -0.236 0.000 0.999 21 I CA -0.901 60.240 61.300 -0.264 0.000 1.124 21 I CB 1.654 39.531 38.000 -0.205 0.000 1.289 21 I HN 0.367 nan 8.210 nan 0.000 0.441 22 R N 6.345 126.668 120.500 -0.294 0.000 2.198 22 R HA 0.487 4.827 4.340 -0.000 0.000 0.339 22 R C -0.869 175.308 176.300 -0.204 0.000 1.020 22 R CA -0.364 55.639 56.100 -0.161 0.000 0.864 22 R CB 0.975 31.258 30.300 -0.028 0.000 1.105 22 R HN 0.593 nan 8.270 nan 0.000 0.463 23 V N 0.101 119.829 119.914 -0.310 0.000 3.096 23 V HA 0.518 4.637 4.120 -0.000 0.000 0.319 23 V C -0.175 175.722 176.094 -0.329 0.000 1.103 23 V CA -1.058 60.994 62.300 -0.414 0.000 1.016 23 V CB 2.094 33.369 31.823 -0.914 0.000 1.090 23 V HN 0.485 nan 8.190 nan 0.000 0.449 24 D N 1.078 121.370 120.400 -0.180 0.000 2.473 24 D HA 0.398 5.038 4.640 -0.000 0.000 0.226 24 D C -0.518 175.876 176.300 0.156 0.000 1.089 24 D CA -0.487 53.492 54.000 -0.034 0.000 0.883 24 D CB 0.490 41.330 40.800 0.068 0.000 1.029 24 D HN 0.434 nan 8.370 nan 0.000 0.517 25 F N 1.829 121.703 119.950 -0.127 0.000 2.750 25 F HA 0.216 4.742 4.527 -0.000 0.000 0.297 25 F C 1.131 176.842 175.800 -0.149 0.000 1.138 25 F CA -0.762 57.172 58.000 -0.110 0.000 1.346 25 F CB -0.782 38.169 39.000 -0.083 0.000 0.965 25 F HN 0.254 nan 8.300 nan 0.000 0.514 26 N N 1.915 120.594 118.700 -0.035 0.000 3.103 26 N HA 0.101 4.841 4.740 -0.000 0.000 0.305 26 N C -0.273 175.238 175.510 0.002 0.000 1.232 26 N CA 0.071 53.062 53.050 -0.097 0.000 1.190 26 N CB -0.089 38.276 38.487 -0.203 0.000 1.461 26 N HN 0.050 nan 8.380 nan 0.000 0.538 27 V N 0.162 120.080 119.914 0.007 0.000 2.834 27 V HA 0.634 4.754 4.120 -0.000 0.000 0.301 27 V C -2.181 173.925 176.094 0.021 0.000 1.066 27 V CA -2.187 60.123 62.300 0.016 0.000 1.052 27 V CB 0.765 32.577 31.823 -0.020 0.000 1.021 27 V HN 0.250 nan 8.190 nan 0.000 0.480 28 P HA 0.329 nan 4.420 nan 0.000 0.271 28 P C -0.554 176.763 177.300 0.028 0.000 1.226 28 P CA 0.141 63.271 63.100 0.049 0.000 0.765 28 P CB 0.787 32.534 31.700 0.079 0.000 0.835 29 V N 0.948 120.875 119.914 0.021 0.000 2.680 29 V HA 0.716 4.836 4.120 -0.000 0.000 0.309 29 V C -0.631 175.468 176.094 0.009 0.000 1.052 29 V CA -0.929 61.375 62.300 0.006 0.000 0.908 29 V CB 2.460 34.279 31.823 -0.006 0.000 1.001 29 V HN 0.397 nan 8.190 nan 0.000 0.431 30 K N 3.001 123.403 120.400 0.003 0.000 2.565 30 K HA 0.455 4.775 4.320 -0.000 0.000 0.249 30 K C -0.145 176.455 176.600 -0.000 0.000 0.958 30 K CA -0.348 55.941 56.287 0.003 0.000 0.806 30 K CB 1.282 33.783 32.500 0.002 0.000 1.194 30 K HN 1.009 nan 8.250 nan 0.000 0.434 31 N N 2.871 121.571 118.700 -0.000 0.000 2.740 31 N HA -0.230 4.510 4.740 -0.000 0.000 0.248 31 N C 0.385 175.895 175.510 -0.000 0.000 1.062 31 N CA 0.789 53.840 53.050 0.001 0.000 0.704 31 N CB -0.884 37.604 38.487 0.002 0.000 0.968 31 N HN 1.073 nan 8.380 nan 0.000 0.547 32 G N -0.843 107.955 108.800 -0.002 0.000 2.166 32 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.260 32 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.260 32 G C -0.162 174.729 174.900 -0.015 0.000 0.986 32 G CA 0.984 46.081 45.100 -0.005 0.000 0.683 32 G HN 0.495 nan 8.290 nan 0.000 0.527 33 K N -0.239 120.152 120.400 -0.014 0.000 2.316 33 K HA 0.611 4.931 4.320 -0.000 0.000 0.251 33 K C 0.168 176.756 176.600 -0.019 0.000 0.934 33 K CA -1.118 55.157 56.287 -0.020 0.000 0.802 33 K CB 2.145 34.636 32.500 -0.013 0.000 1.171 33 K HN 0.158 nan 8.250 nan 0.000 0.426 34 I N 2.129 122.681 120.570 -0.030 0.000 2.533 34 I HA -0.077 4.093 4.170 -0.000 0.000 0.284 34 I C 1.626 177.738 176.117 -0.007 0.000 1.109 34 I CA 0.263 61.547 61.300 -0.026 0.000 1.412 34 I CB 0.742 38.712 38.000 -0.051 0.000 1.396 34 I HN 0.799 nan 8.210 nan 0.000 0.543 35 T N 1.034 115.595 114.554 0.012 0.000 3.044 35 T HA 0.105 4.455 4.350 -0.000 0.000 0.250 35 T C 0.523 175.252 174.700 0.047 0.000 1.081 35 T CA -0.158 61.959 62.100 0.029 0.000 1.040 35 T CB 0.010 68.900 68.868 0.037 0.000 0.962 35 T HN 0.627 nan 8.240 nan 0.000 0.506 36 N N 1.261 119.987 118.700 0.044 0.000 2.600 36 N HA 0.097 4.837 4.740 -0.000 0.000 0.272 36 N C -1.888 173.650 175.510 0.048 0.000 1.095 36 N CA -0.234 52.852 53.050 0.060 0.000 0.993 36 N CB 2.113 40.652 38.487 0.087 0.000 1.603 36 N HN 0.241 nan 8.380 nan 0.000 0.526 37 D N 2.663 123.086 120.400 0.039 0.000 2.525 37 D HA -0.004 4.636 4.640 -0.000 0.000 0.229 37 D C 1.135 177.454 176.300 0.033 0.000 1.202 37 D CA -0.323 53.673 54.000 -0.006 0.000 0.828 37 D CB -0.418 40.343 40.800 -0.065 0.000 1.008 37 D HN 0.494 nan 8.370 nan 0.000 0.493 38 Y N 2.024 122.307 120.300 -0.027 0.000 2.193 38 Y HA -0.173 4.377 4.550 -0.000 0.000 0.285 38 Y C 1.924 177.824 175.900 0.000 0.000 1.166 38 Y CA 1.779 59.869 58.100 -0.018 0.000 1.181 38 Y CB 0.053 38.501 38.460 -0.020 0.000 0.976 38 Y HN -0.080 nan 8.280 nan 0.000 0.520 39 R N -0.329 120.141 120.500 -0.050 0.000 2.115 39 R HA -0.092 4.248 4.340 -0.000 0.000 0.230 39 R C 2.230 178.514 176.300 -0.026 0.000 1.111 39 R CA 1.686 57.742 56.100 -0.073 0.000 0.976 39 R CB -0.287 30.055 30.300 0.069 0.000 0.870 39 R HN 0.417 nan 8.270 nan 0.000 0.445 40 I N 0.021 120.528 120.570 -0.105 0.000 2.333 40 I HA -0.202 3.968 4.170 -0.000 0.000 0.246 40 I C 2.347 178.404 176.117 -0.100 0.000 1.106 40 I CA 1.066 62.232 61.300 -0.222 0.000 1.411 40 I CB -0.217 37.491 38.000 -0.486 0.000 1.082 40 I HN 0.079 nan 8.210 nan 0.000 0.420 41 R N 0.495 120.923 120.500 -0.119 0.000 2.105 41 R HA -0.129 4.210 4.340 -0.000 0.000 0.239 41 R C 2.420 178.656 176.300 -0.107 0.000 1.135 41 R CA 1.663 57.709 56.100 -0.090 0.000 0.967 41 R CB -0.341 29.920 30.300 -0.065 0.000 0.861 41 R HN 0.259 nan 8.270 nan 0.000 0.442 42 S N 0.269 115.838 115.700 -0.218 0.000 2.442 42 S HA -0.082 4.388 4.470 -0.000 0.000 0.236 42 S C 1.752 176.325 174.600 -0.044 0.000 1.007 42 S CA 1.087 59.159 58.200 -0.214 0.000 0.965 42 S CB 0.123 63.079 63.200 -0.408 0.000 0.773 42 S HN 0.456 nan 8.310 nan 0.000 0.504 43 A N 0.783 123.628 122.820 0.042 0.000 2.178 43 A HA 0.302 4.621 4.320 -0.000 0.000 0.211 43 A C 1.849 179.497 177.584 0.107 0.000 1.157 43 A CA 0.110 52.217 52.037 0.116 0.000 0.780 43 A CB -0.375 18.803 19.000 0.296 0.000 0.828 43 A HN 0.422 nan 8.150 nan 0.000 0.476 44 L N -0.197 121.072 121.223 0.077 0.000 2.013 44 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 44 L C -0.399 176.521 176.870 0.082 0.000 1.073 44 L CA 1.723 56.604 54.840 0.067 0.000 0.753 44 L CB -1.767 40.312 42.059 0.033 0.000 0.890 44 L HN 0.214 nan 8.230 nan 0.000 0.432 45 P HA -0.179 nan 4.420 nan 0.000 0.215 45 P C 1.699 179.153 177.300 0.257 0.000 1.163 45 P CA 1.703 64.909 63.100 0.177 0.000 0.894 45 P CB -0.088 31.731 31.700 0.197 0.000 0.791 46 T N -0.377 114.287 114.554 0.183 0.000 2.720 46 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 46 T C 1.722 176.418 174.700 -0.006 0.000 1.037 46 T CA 1.121 63.211 62.100 -0.016 0.000 1.144 46 T CB -0.923 67.878 68.868 -0.111 0.000 0.864 46 T HN 0.040 nan 8.240 nan 0.000 0.444 47 L N 0.717 121.958 121.223 0.030 0.000 2.083 47 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 47 L C 2.737 179.632 176.870 0.042 0.000 1.083 47 L CA 1.374 56.232 54.840 0.031 0.000 0.752 47 L CB -0.563 41.532 42.059 0.061 0.000 0.899 47 L HN 0.244 nan 8.230 nan 0.000 0.433 48 K N 0.450 120.889 120.400 0.065 0.000 2.057 48 K HA -0.221 4.099 4.320 -0.000 0.000 0.207 48 K C 2.332 178.974 176.600 0.071 0.000 1.049 48 K CA 1.215 57.541 56.287 0.064 0.000 0.931 48 K CB 0.041 32.584 32.500 0.072 0.000 0.714 48 K HN 0.027 nan 8.250 nan 0.000 0.440 49 K N 1.106 121.569 120.400 0.105 0.000 2.001 49 K HA -0.153 4.166 4.320 -0.000 0.000 0.214 49 K C 2.117 178.741 176.600 0.040 0.000 1.050 49 K CA 1.664 58.016 56.287 0.108 0.000 0.934 49 K CB -0.838 31.746 32.500 0.141 0.000 0.718 49 K HN 0.197 nan 8.250 nan 0.000 0.443 50 V N 1.420 121.337 119.914 0.004 0.000 2.332 50 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 50 V C 2.313 178.413 176.094 0.010 0.000 1.055 50 V CA 1.586 63.882 62.300 -0.006 0.000 1.038 50 V CB -0.238 31.570 31.823 -0.025 0.000 0.651 50 V HN 0.313 nan 8.190 nan 0.000 0.450 51 L N -0.115 121.119 121.223 0.018 0.000 2.093 51 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 51 L C 2.712 179.595 176.870 0.022 0.000 1.085 51 L CA 2.157 57.009 54.840 0.020 0.000 0.755 51 L CB -1.035 41.038 42.059 0.024 0.000 0.904 51 L HN 0.342 nan 8.230 nan 0.000 0.435 52 T N -0.936 113.635 114.554 0.029 0.000 2.821 52 T HA -0.121 4.229 4.350 -0.000 0.000 0.267 52 T C 1.613 176.329 174.700 0.027 0.000 1.046 52 T CA 0.988 63.106 62.100 0.030 0.000 1.139 52 T CB -0.057 68.836 68.868 0.041 0.000 0.871 52 T HN 0.251 nan 8.240 nan 0.000 0.454 53 E N 0.249 120.465 120.200 0.026 0.000 2.511 53 E HA 0.126 4.475 4.350 -0.000 0.000 0.196 53 E C 1.535 178.144 176.600 0.016 0.000 1.066 53 E CA 0.424 56.837 56.400 0.022 0.000 0.871 53 E CB -0.144 29.568 29.700 0.020 0.000 0.863 53 E HN 0.603 nan 8.360 nan 0.000 0.520 54 G N 0.679 109.488 108.800 0.015 0.000 2.131 54 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.223 54 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.223 54 G C 0.566 175.472 174.900 0.010 0.000 0.990 54 G CA 0.063 45.170 45.100 0.012 0.000 0.671 54 G HN 0.536 nan 8.290 nan 0.000 0.521 55 G N -0.548 108.257 108.800 0.009 0.000 2.583 55 G HA2 0.873 4.833 3.960 -0.000 0.000 0.280 55 G HA3 0.873 4.833 3.960 -0.000 0.000 0.280 55 G C 0.187 175.091 174.900 0.006 0.000 1.376 55 G CA 0.506 45.609 45.100 0.006 0.000 1.043 55 G HN 1.647 nan 8.290 nan 0.000 0.538 56 S N -2.517 113.185 115.700 0.005 0.000 2.570 56 S HA 0.586 5.056 4.470 -0.000 0.000 0.286 56 S C -0.993 173.608 174.600 0.000 0.000 1.099 56 S CA -0.803 57.400 58.200 0.004 0.000 0.913 56 S CB 1.393 64.595 63.200 0.004 0.000 1.085 56 S HN 0.730 nan 8.310 nan 0.000 0.480 57 C N 1.960 121.261 119.300 0.001 0.000 2.351 57 C HA 0.827 5.286 4.460 -0.000 0.000 0.326 57 C C 0.116 175.102 174.990 -0.006 0.000 1.272 57 C CA -0.735 58.281 59.018 -0.004 0.000 1.650 57 C CB 0.600 28.340 27.740 0.001 0.000 2.257 57 C HN 0.843 nan 8.230 nan 0.000 0.505 58 V N 6.508 126.415 119.914 -0.012 0.000 2.325 58 V HA 0.530 4.650 4.120 -0.000 0.000 0.280 58 V C -0.617 175.468 176.094 -0.015 0.000 1.016 58 V CA -0.201 62.086 62.300 -0.021 0.000 0.818 58 V CB 0.491 32.293 31.823 -0.035 0.000 1.019 58 V HN 0.806 nan 8.190 nan 0.000 0.434 59 L N 6.945 128.158 121.223 -0.016 0.000 2.334 59 L HA 0.649 4.989 4.340 -0.000 0.000 0.277 59 L C -0.033 176.818 176.870 -0.033 0.000 1.075 59 L CA -0.345 54.464 54.840 -0.053 0.000 0.804 59 L CB 1.531 43.559 42.059 -0.052 0.000 1.174 59 L HN 0.512 nan 8.230 nan 0.000 0.438 60 M N 2.515 122.076 119.600 -0.066 0.000 2.395 60 M HA 0.548 5.027 4.480 -0.000 0.000 0.307 60 M C -0.518 175.740 176.300 -0.069 0.000 1.091 60 M CA -0.094 55.199 55.300 -0.012 0.000 0.919 60 M CB 2.304 34.937 32.600 0.055 0.000 1.662 60 M HN 0.655 nan 8.290 nan 0.000 0.440 61 S N 0.411 116.099 115.700 -0.020 0.000 2.661 61 S HA 0.616 5.086 4.470 -0.000 0.000 0.268 61 S C -2.057 172.576 174.600 0.055 0.000 1.162 61 S CA -0.822 57.359 58.200 -0.032 0.000 0.817 61 S CB 1.482 64.588 63.200 -0.157 0.000 1.141 61 S HN 0.881 nan 8.310 nan 0.000 0.477 62 H N 0.704 119.781 119.070 0.011 0.000 2.865 62 H HA 0.830 5.386 4.556 -0.000 0.000 0.372 62 H C -1.783 173.559 175.328 0.024 0.000 1.173 62 H CA -0.902 55.146 56.048 -0.001 0.000 1.147 62 H CB 1.362 31.133 29.762 0.014 0.000 1.805 62 H HN 0.491 nan 8.280 nan 0.000 0.553 63 L N 1.815 123.051 121.223 0.021 0.000 2.409 63 L HA 0.508 4.848 4.340 -0.000 0.000 0.272 63 L C 0.674 177.611 176.870 0.113 0.000 0.980 63 L CA 1.172 56.011 54.840 -0.003 0.000 0.826 63 L CB 1.458 43.502 42.059 -0.024 0.000 1.268 63 L HN 1.242 nan 8.230 nan 0.000 0.407 64 G N 4.208 113.088 108.800 0.134 0.000 2.552 64 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.265 64 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.265 64 G C -0.086 174.917 174.900 0.171 0.000 1.234 64 G CA 0.154 45.334 45.100 0.133 0.000 0.944 64 G HN 0.722 nan 8.290 nan 0.000 0.568 65 R N 1.039 121.605 120.500 0.109 0.000 2.687 65 R HA 0.320 4.660 4.340 -0.000 0.000 0.264 65 R C -2.475 173.867 176.300 0.070 0.000 1.715 65 R CA -1.076 55.072 56.100 0.080 0.000 1.633 65 R CB 1.977 32.307 30.300 0.050 0.000 1.353 65 R HN 0.537 nan 8.270 nan 0.000 0.653 66 P HA 0.113 nan 4.420 nan 0.000 0.272 66 P C 0.037 177.368 177.300 0.051 0.000 1.223 66 P CA -0.335 62.823 63.100 0.097 0.000 0.784 66 P CB 1.337 33.190 31.700 0.256 0.000 0.923 67 K N 1.267 121.666 120.400 -0.001 0.000 2.074 67 K HA 0.041 4.361 4.320 -0.000 0.000 0.209 67 K C 1.195 177.795 176.600 0.000 0.000 1.048 67 K CA 1.730 58.010 56.287 -0.012 0.000 0.926 67 K CB -1.084 31.393 32.500 -0.038 0.000 0.713 67 K HN 0.979 nan 8.250 nan 0.000 0.444 68 G N -0.367 108.427 108.800 -0.010 0.000 2.758 68 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.686 68 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.686 68 G C -0.843 174.045 174.900 -0.021 0.000 1.389 68 G CA -0.312 44.794 45.100 0.009 0.000 0.845 68 G HN 0.193 nan 8.290 nan 0.000 0.572 69 I N 1.184 121.750 120.570 -0.007 0.000 2.894 69 I HA 0.512 4.682 4.170 -0.000 0.000 0.302 69 I C -2.483 173.706 176.117 0.120 0.000 1.188 69 I CA -2.779 58.531 61.300 0.016 0.000 1.014 69 I CB 2.872 40.847 38.000 -0.040 0.000 1.242 69 I HN 0.362 nan 8.210 nan 0.000 0.430 70 P HA 0.298 nan 4.420 nan 0.000 0.275 70 P C 0.397 177.806 177.300 0.182 0.000 1.227 70 P CA -0.157 63.017 63.100 0.124 0.000 0.781 70 P CB 0.692 32.432 31.700 0.067 0.000 0.906 71 M N 2.239 121.938 119.600 0.166 0.000 2.106 71 M HA -0.279 4.200 4.480 -0.000 0.000 0.259 71 M C 1.912 178.261 176.300 0.081 0.000 1.068 71 M CA 2.434 57.794 55.300 0.101 0.000 1.100 71 M CB -0.741 31.822 32.600 -0.062 0.000 1.351 71 M HN 0.461 nan 8.290 nan 0.000 0.404 72 A N -0.003 122.849 122.820 0.053 0.000 1.892 72 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 72 A C 1.929 179.544 177.584 0.052 0.000 1.188 72 A CA 1.858 53.918 52.037 0.038 0.000 0.631 72 A CB -0.818 18.197 19.000 0.025 0.000 0.822 72 A HN 0.617 nan 8.150 nan 0.000 0.447 73 Q N -0.701 119.139 119.800 0.065 0.000 2.364 73 Q HA 0.016 4.355 4.340 -0.000 0.000 0.207 73 Q C 2.256 178.302 176.000 0.076 0.000 0.970 73 Q CA 0.767 56.605 55.803 0.058 0.000 0.888 73 Q CB -0.370 28.396 28.738 0.047 0.000 0.951 73 Q HN 0.717 nan 8.270 nan 0.000 0.469 74 A N 1.144 124.042 122.820 0.129 0.000 1.877 74 A HA -0.130 4.190 4.320 -0.000 0.000 0.216 74 A C 2.320 179.969 177.584 0.109 0.000 1.186 74 A CA 1.588 53.728 52.037 0.172 0.000 0.620 74 A CB -1.384 17.825 19.000 0.348 0.000 0.822 74 A HN 0.469 nan 8.150 nan 0.000 0.443 75 G N 0.112 108.961 108.800 0.081 0.000 2.556 75 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.220 75 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.220 75 G C 1.594 176.518 174.900 0.041 0.000 1.156 75 G CA 1.750 46.881 45.100 0.052 0.000 0.766 75 G HN 0.533 nan 8.290 nan 0.000 0.583 76 K N 0.347 120.769 120.400 0.036 0.000 2.032 76 K HA -0.015 4.305 4.320 -0.000 0.000 0.209 76 K C 2.420 179.034 176.600 0.023 0.000 1.048 76 K CA 0.981 57.283 56.287 0.025 0.000 0.927 76 K CB -0.449 32.064 32.500 0.021 0.000 0.712 76 K HN 0.308 nan 8.250 nan 0.000 0.441 77 I N 1.164 121.752 120.570 0.031 0.000 2.127 77 I HA -0.273 3.897 4.170 -0.000 0.000 0.241 77 I C 2.015 178.146 176.117 0.023 0.000 1.075 77 I CA 1.606 62.919 61.300 0.023 0.000 1.334 77 I CB -1.072 36.945 38.000 0.028 0.000 1.040 77 I HN 0.210 nan 8.210 nan 0.000 0.405 78 R N 0.635 121.160 120.500 0.041 0.000 2.159 78 R HA -0.111 4.229 4.340 -0.000 0.000 0.237 78 R C 2.431 178.745 176.300 0.022 0.000 1.131 78 R CA 1.515 57.638 56.100 0.038 0.000 0.982 78 R CB -0.408 29.926 30.300 0.057 0.000 0.868 78 R HN 0.357 nan 8.270 nan 0.000 0.453 79 S N 0.194 115.906 115.700 0.020 0.000 2.368 79 S HA -0.107 4.362 4.470 -0.000 0.000 0.225 79 S C 1.907 176.511 174.600 0.006 0.000 1.030 79 S CA 1.731 59.938 58.200 0.012 0.000 0.999 79 S CB -0.215 62.992 63.200 0.012 0.000 0.844 79 S HN 0.369 nan 8.310 nan 0.000 0.459 80 T N 0.363 114.920 114.554 0.004 0.000 2.915 80 T HA 0.175 4.525 4.350 -0.000 0.000 0.269 80 T C 1.599 176.295 174.700 -0.008 0.000 1.071 80 T CA 1.181 63.279 62.100 -0.002 0.000 1.132 80 T CB -0.451 68.415 68.868 -0.004 0.000 0.878 80 T HN 0.655 nan 8.240 nan 0.000 0.479 81 G N 0.632 109.429 108.800 -0.005 0.000 2.163 81 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.213 81 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.213 81 G C 0.323 175.206 174.900 -0.027 0.000 0.991 81 G CA -0.251 44.842 45.100 -0.012 0.000 0.653 81 G HN 0.866 nan 8.290 nan 0.000 0.518 82 G N -1.161 107.622 108.800 -0.028 0.000 2.535 82 G HA2 0.641 4.601 3.960 -0.000 0.000 0.303 82 G HA3 0.641 4.601 3.960 -0.000 0.000 0.303 82 G C -0.232 174.646 174.900 -0.037 0.000 1.237 82 G CA -0.049 45.019 45.100 -0.054 0.000 0.986 82 G HN 0.921 nan 8.290 nan 0.000 0.494 83 V N 1.708 121.585 119.914 -0.062 0.000 2.347 83 V HA 0.259 4.379 4.120 -0.000 0.000 0.280 83 V C -2.051 174.053 176.094 0.017 0.000 1.021 83 V CA -1.338 60.973 62.300 0.017 0.000 0.847 83 V CB 1.604 33.464 31.823 0.061 0.000 0.990 83 V HN 0.494 nan 8.190 nan 0.000 0.444 84 P HA 0.121 nan 4.420 nan 0.000 0.258 84 P C 1.041 178.166 177.300 -0.291 0.000 1.187 84 P CA 1.420 64.462 63.100 -0.097 0.000 0.767 84 P CB 0.355 32.043 31.700 -0.021 0.000 0.770 85 G N 3.079 111.705 108.800 -0.291 0.000 2.168 85 G HA2 -0.323 3.636 3.960 -0.000 0.000 0.263 85 G HA3 -0.323 3.636 3.960 -0.000 0.000 0.263 85 G C 0.188 174.507 174.900 -0.969 0.000 0.977 85 G CA -0.440 44.387 45.100 -0.456 0.000 0.659 85 G HN 0.539 nan 8.290 nan 0.000 0.533 86 F N 1.384 120.741 119.950 -0.989 0.000 2.629 86 F HA 0.443 4.970 4.527 -0.000 0.000 0.377 86 F C 0.684 176.056 175.800 -0.713 0.000 1.101 86 F CA 0.838 58.158 58.000 -1.133 0.000 1.301 86 F CB 0.527 39.323 39.000 -0.339 0.000 1.062 86 F HN 0.250 nan 8.300 nan 0.000 0.583 87 Q N 4.861 123.859 119.800 -1.337 0.000 2.444 87 Q HA 0.074 4.414 4.340 -0.000 0.000 0.251 87 Q C 0.447 175.982 176.000 -0.774 0.000 0.939 87 Q CA -0.617 54.768 55.803 -0.696 0.000 0.740 87 Q CB 1.809 30.341 28.738 -0.342 0.000 1.308 87 Q HN 0.755 nan 8.270 nan 0.000 0.461 88 Q N 2.055 121.435 119.800 -0.700 0.000 2.224 88 Q HA -0.270 4.070 4.340 -0.000 0.000 0.213 88 Q C 1.235 177.140 176.000 -0.159 0.000 0.998 88 Q CA 2.027 57.631 55.803 -0.331 0.000 0.895 88 Q CB 0.297 29.057 28.738 0.036 0.000 0.926 88 Q HN 0.401 nan 8.270 nan 0.000 0.417 89 K N -1.133 119.195 120.400 -0.120 0.000 2.439 89 K HA 0.096 4.416 4.320 -0.000 0.000 0.197 89 K C 0.912 177.494 176.600 -0.030 0.000 1.041 89 K CA 1.043 57.299 56.287 -0.052 0.000 0.970 89 K CB 0.028 32.507 32.500 -0.036 0.000 0.773 89 K HN 0.217 nan 8.250 nan 0.000 0.479 90 A N 1.373 124.177 122.820 -0.027 0.000 2.594 90 A HA 0.196 4.516 4.320 -0.000 0.000 0.287 90 A C -0.021 177.570 177.584 0.011 0.000 1.227 90 A CA -0.498 51.562 52.037 0.039 0.000 0.952 90 A CB -0.088 18.999 19.000 0.145 0.000 1.161 90 A HN 0.142 nan 8.150 nan 0.000 0.524 91 T N 0.348 114.902 114.554 0.001 0.000 2.918 91 T HA 0.292 4.642 4.350 -0.000 0.000 0.302 91 T C 0.994 175.666 174.700 -0.047 0.000 1.045 91 T CA -0.040 62.088 62.100 0.048 0.000 1.114 91 T CB 1.066 70.018 68.868 0.141 0.000 0.965 91 T HN 0.232 nan 8.240 nan 0.000 0.540 92 L N 1.285 122.481 121.223 -0.046 0.000 2.607 92 L HA 0.167 4.507 4.340 -0.000 0.000 0.228 92 L C 2.377 178.941 176.870 -0.510 0.000 1.123 92 L CA 0.177 54.953 54.840 -0.107 0.000 0.890 92 L CB -0.189 41.953 42.059 0.140 0.000 1.103 92 L HN 0.698 nan 8.230 nan 0.000 0.468 93 K N 1.534 121.409 120.400 -0.876 0.000 2.001 93 K HA -0.165 4.155 4.320 -0.000 0.000 0.214 93 K C -0.553 175.736 176.600 -0.518 0.000 1.050 93 K CA 1.808 57.407 56.287 -1.147 0.000 0.934 93 K CB -0.691 31.422 32.500 -0.644 0.000 0.718 93 K HN 0.135 nan 8.250 nan 0.000 0.443 94 P HA -0.145 nan 4.420 nan 0.000 0.218 94 P C 1.311 178.495 177.300 -0.194 0.000 1.148 94 P CA 1.156 64.144 63.100 -0.186 0.000 0.822 94 P CB 0.011 31.638 31.700 -0.121 0.000 0.784 95 V N 0.636 120.419 119.914 -0.218 0.000 2.515 95 V HA -0.179 3.941 4.120 -0.000 0.000 0.250 95 V C 2.837 178.807 176.094 -0.207 0.000 1.058 95 V CA 1.948 64.111 62.300 -0.229 0.000 1.064 95 V CB -1.593 30.111 31.823 -0.198 0.000 0.675 95 V HN 0.109 nan 8.190 nan 0.000 0.461 96 A N -0.573 122.133 122.820 -0.190 0.000 1.898 96 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 96 A C 2.375 179.913 177.584 -0.077 0.000 1.181 96 A CA 1.764 53.754 52.037 -0.078 0.000 0.620 96 A CB -0.420 18.535 19.000 -0.076 0.000 0.819 96 A HN 0.380 nan 8.150 nan 0.000 0.442 97 K N -0.500 119.828 120.400 -0.120 0.000 2.025 97 K HA -0.169 4.150 4.320 -0.000 0.000 0.207 97 K C 2.323 178.874 176.600 -0.081 0.000 1.049 97 K CA 1.618 57.856 56.287 -0.081 0.000 0.933 97 K CB -0.210 32.238 32.500 -0.087 0.000 0.714 97 K HN 0.321 nan 8.250 nan 0.000 0.438 98 R N 1.354 121.786 120.500 -0.114 0.000 2.080 98 R HA -0.132 4.208 4.340 -0.000 0.000 0.236 98 R C 2.337 178.567 176.300 -0.117 0.000 1.137 98 R CA 1.398 57.427 56.100 -0.118 0.000 0.943 98 R CB -1.076 29.129 30.300 -0.158 0.000 0.846 98 R HN 0.193 nan 8.270 nan 0.000 0.431 99 L N 0.308 121.439 121.223 -0.152 0.000 2.043 99 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 99 L C 2.298 179.141 176.870 -0.045 0.000 1.075 99 L CA 2.475 57.244 54.840 -0.118 0.000 0.752 99 L CB -1.130 40.870 42.059 -0.097 0.000 0.891 99 L HN 0.372 nan 8.230 nan 0.000 0.432 100 S N -1.067 114.615 115.700 -0.030 0.000 2.382 100 S HA -0.213 4.257 4.470 -0.000 0.000 0.228 100 S C 1.837 176.428 174.600 -0.015 0.000 1.027 100 S CA 1.558 59.753 58.200 -0.009 0.000 0.991 100 S CB -0.299 62.900 63.200 -0.001 0.000 0.823 100 S HN 0.679 nan 8.310 nan 0.000 0.469 101 E N 0.554 120.737 120.200 -0.029 0.000 2.072 101 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 101 E C 2.138 178.725 176.600 -0.022 0.000 0.985 101 E CA 1.277 57.663 56.400 -0.025 0.000 0.801 101 E CB -0.221 29.460 29.700 -0.032 0.000 0.750 101 E HN 0.483 nan 8.360 nan 0.000 0.452 102 L N 0.275 121.480 121.223 -0.031 0.000 2.027 102 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 102 L C 2.237 179.101 176.870 -0.010 0.000 1.074 102 L CA 0.463 55.288 54.840 -0.025 0.000 0.745 102 L CB -0.233 41.801 42.059 -0.040 0.000 0.898 102 L HN 0.159 nan 8.230 nan 0.000 0.433 103 L N -0.508 120.712 121.223 -0.005 0.000 2.275 103 L HA -0.028 4.312 4.340 -0.000 0.000 0.215 103 L C 1.279 178.154 176.870 0.008 0.000 1.119 103 L CA 1.110 55.956 54.840 0.009 0.000 0.790 103 L CB -0.505 41.565 42.059 0.018 0.000 0.919 103 L HN 0.200 nan 8.230 nan 0.000 0.443 104 L N -0.828 120.397 121.223 0.003 0.000 3.898 104 L HA -0.277 4.063 4.340 -0.000 0.000 0.407 104 L C 0.406 177.280 176.870 0.007 0.000 1.207 104 L CA 0.645 55.487 54.840 0.003 0.000 0.931 104 L CB -1.662 40.399 42.059 0.004 0.000 2.014 104 L HN 0.520 nan 8.230 nan 0.000 0.858 105 R N -2.144 118.361 120.500 0.009 0.000 2.710 105 R HA 0.752 5.092 4.340 -0.000 0.000 0.270 105 R C -3.098 173.211 176.300 0.015 0.000 1.021 105 R CA -1.919 54.188 56.100 0.012 0.000 0.889 105 R CB 1.256 31.565 30.300 0.015 0.000 1.243 105 R HN -0.267 nan 8.270 nan 0.000 0.464 106 P HA 0.071 nan 4.420 nan 0.000 0.269 106 P C -1.007 176.311 177.300 0.032 0.000 1.209 106 P CA -0.425 62.688 63.100 0.022 0.000 0.776 106 P CB 0.729 32.441 31.700 0.021 0.000 0.876 107 V N 2.028 121.968 119.914 0.043 0.000 2.447 107 V HA 0.282 4.402 4.120 -0.000 0.000 0.292 107 V C 0.172 176.319 176.094 0.087 0.000 1.021 107 V CA -0.511 61.828 62.300 0.064 0.000 0.850 107 V CB 1.611 33.478 31.823 0.073 0.000 1.005 107 V HN 0.623 nan 8.190 nan 0.000 0.426 108 T N 4.160 118.761 114.554 0.078 0.000 2.780 108 T HA 0.492 4.842 4.350 -0.000 0.000 0.294 108 T C -0.690 174.091 174.700 0.135 0.000 0.949 108 T CA -0.196 61.956 62.100 0.087 0.000 1.074 108 T CB 0.353 69.243 68.868 0.035 0.000 0.910 108 T HN 0.332 nan 8.240 nan 0.000 0.501 109 F N 4.921 124.877 119.950 0.010 0.000 2.404 109 F HA 0.620 5.147 4.527 -0.000 0.000 0.358 109 F C 0.131 175.940 175.800 0.015 0.000 1.120 109 F CA -1.580 56.431 58.000 0.018 0.000 1.144 109 F CB 0.221 39.239 39.000 0.030 0.000 1.133 109 F HN 0.843 nan 8.300 nan 0.000 0.495 110 A N 9.428 131.888 122.820 -0.599 0.000 2.316 110 A HA 0.400 4.720 4.320 -0.000 0.000 0.311 110 A C -1.696 175.389 177.584 -0.831 0.000 1.339 110 A CA -1.390 50.338 52.037 -0.515 0.000 0.960 110 A CB -0.241 18.569 19.000 -0.318 0.000 1.152 110 A HN 0.648 nan 8.150 nan 0.000 0.547 111 P HA -0.103 nan 4.420 nan 0.000 0.229 111 P C -0.220 177.032 177.300 -0.080 0.000 1.150 111 P CA 1.221 64.119 63.100 -0.336 0.000 0.765 111 P CB 0.224 31.880 31.700 -0.073 0.000 0.783 112 D N -0.612 119.744 120.400 -0.074 0.000 2.616 112 D HA 0.061 4.701 4.640 -0.000 0.000 0.238 112 D C 0.958 177.322 176.300 0.107 0.000 1.354 112 D CA -0.554 53.509 54.000 0.105 0.000 0.970 112 D CB 0.816 41.700 40.800 0.140 0.000 1.369 112 D HN -0.064 nan 8.370 nan 0.000 0.585 113 C N 3.074 122.487 119.300 0.189 0.000 2.432 113 C HA 0.138 4.598 4.460 -0.000 0.000 0.282 113 C C 1.849 176.999 174.990 0.266 0.000 1.388 113 C CA -0.075 59.056 59.018 0.189 0.000 1.777 113 C CB -1.105 26.756 27.740 0.201 0.000 1.882 113 C HN 0.634 nan 8.230 nan 0.000 0.520 114 L N 1.087 122.452 121.223 0.238 0.000 2.653 114 L HA 0.256 4.596 4.340 -0.000 0.000 0.231 114 L C 0.686 177.635 176.870 0.132 0.000 1.153 114 L CA 0.368 55.261 54.840 0.088 0.000 0.933 114 L CB -0.569 41.343 42.059 -0.246 0.000 1.175 114 L HN 0.363 nan 8.230 nan 0.000 0.473 115 N N 0.262 119.067 118.700 0.174 0.000 2.622 115 N HA 0.245 4.985 4.740 -0.000 0.000 0.293 115 N C 0.125 175.682 175.510 0.079 0.000 1.788 115 N CA 0.130 53.254 53.050 0.124 0.000 0.860 115 N CB 0.900 39.446 38.487 0.099 0.000 1.388 115 N HN 0.065 nan 8.380 nan 0.000 0.496 116 A N -0.704 122.170 122.820 0.089 0.000 2.538 116 A HA 0.604 4.924 4.320 -0.000 0.000 0.269 116 A C 1.811 179.309 177.584 -0.144 0.000 1.231 116 A CA 0.464 52.433 52.037 -0.114 0.000 0.948 116 A CB -0.052 18.764 19.000 -0.307 0.000 1.110 116 A HN 0.308 nan 8.150 nan 0.000 0.529 117 A N 1.775 124.655 122.820 0.101 0.000 1.917 117 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 117 A C 1.866 179.467 177.584 0.029 0.000 1.182 117 A CA 2.119 54.251 52.037 0.159 0.000 0.633 117 A CB -0.556 18.564 19.000 0.199 0.000 0.819 117 A HN 0.678 nan 8.150 nan 0.000 0.448 118 D N 0.335 120.741 120.400 0.009 0.000 2.103 118 D HA -0.169 4.471 4.640 -0.000 0.000 0.190 118 D C 1.873 178.154 176.300 -0.031 0.000 0.997 118 D CA 2.003 55.999 54.000 -0.006 0.000 0.833 118 D CB -1.278 39.517 40.800 -0.007 0.000 0.961 118 D HN 0.268 nan 8.370 nan 0.000 0.447 119 V N 0.890 120.765 119.914 -0.064 0.000 2.295 119 V HA -0.223 3.897 4.120 -0.000 0.000 0.246 119 V C 3.014 179.053 176.094 -0.091 0.000 1.049 119 V CA 1.501 63.754 62.300 -0.078 0.000 1.024 119 V CB -0.519 31.238 31.823 -0.110 0.000 0.648 119 V HN 0.117 nan 8.190 nan 0.000 0.447 120 V N 1.116 120.942 119.914 -0.146 0.000 2.287 120 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 120 V C 2.786 178.854 176.094 -0.043 0.000 1.053 120 V CA 2.390 64.609 62.300 -0.135 0.000 1.027 120 V CB -0.995 30.683 31.823 -0.241 0.000 0.646 120 V HN 0.785 nan 8.190 nan 0.000 0.447 121 S N 0.486 116.177 115.700 -0.014 0.000 2.383 121 S HA -0.282 4.188 4.470 -0.000 0.000 0.229 121 S C 1.820 176.421 174.600 0.000 0.000 1.030 121 S CA 1.682 59.887 58.200 0.009 0.000 1.002 121 S CB -0.562 62.649 63.200 0.019 0.000 0.829 121 S HN 0.669 nan 8.310 nan 0.000 0.467 122 K N 0.537 120.931 120.400 -0.010 0.000 2.555 122 K HA 0.208 4.528 4.320 -0.000 0.000 0.193 122 K C 0.396 176.992 176.600 -0.007 0.000 1.032 122 K CA 0.127 56.410 56.287 -0.007 0.000 1.004 122 K CB -0.292 32.202 32.500 -0.009 0.000 0.804 122 K HN 0.503 nan 8.250 nan 0.000 0.496 123 M N 0.850 120.443 119.600 -0.011 0.000 2.245 123 M HA 0.005 4.484 4.480 -0.000 0.000 0.330 123 M C -0.052 176.248 176.300 -0.000 0.000 1.098 123 M CA 0.619 55.914 55.300 -0.009 0.000 1.172 123 M CB 1.037 33.629 32.600 -0.014 0.000 1.467 123 M HN -0.107 nan 8.290 nan 0.000 0.454 124 S N 1.386 117.087 115.700 0.002 0.000 2.627 124 S HA 0.579 5.049 4.470 -0.000 0.000 0.283 124 S C -2.646 171.958 174.600 0.006 0.000 1.127 124 S CA -1.309 56.894 58.200 0.005 0.000 0.863 124 S CB 1.792 64.996 63.200 0.005 0.000 1.121 124 S HN 0.371 nan 8.310 nan 0.000 0.479 125 P HA 0.253 nan 4.420 nan 0.000 0.264 125 P C 0.917 178.223 177.300 0.009 0.000 1.183 125 P CA 1.313 64.418 63.100 0.008 0.000 0.763 125 P CB 0.188 31.893 31.700 0.009 0.000 0.807 126 G N 1.711 110.517 108.800 0.010 0.000 2.234 126 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.235 126 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.235 126 G C -0.052 174.856 174.900 0.012 0.000 0.997 126 G CA -0.313 44.795 45.100 0.012 0.000 0.623 126 G HN 0.504 nan 8.290 nan 0.000 0.514 127 D N 0.267 120.673 120.400 0.010 0.000 2.341 127 D HA 0.559 5.199 4.640 -0.000 0.000 0.245 127 D C 0.234 176.541 176.300 0.012 0.000 1.106 127 D CA 0.141 54.147 54.000 0.010 0.000 0.905 127 D CB 1.896 42.698 40.800 0.004 0.000 1.202 127 D HN 0.277 nan 8.370 nan 0.000 0.426 128 V N 2.000 121.926 119.914 0.019 0.000 2.577 128 V HA 0.391 4.511 4.120 -0.000 0.000 0.303 128 V C -0.253 175.860 176.094 0.033 0.000 1.042 128 V CA -0.778 61.539 62.300 0.029 0.000 0.872 128 V CB 2.105 33.956 31.823 0.045 0.000 0.998 128 V HN 0.234 nan 8.190 nan 0.000 0.423 129 V N 5.723 125.650 119.914 0.022 0.000 2.588 129 V HA 0.562 4.682 4.120 -0.000 0.000 0.304 129 V C -0.844 175.275 176.094 0.040 0.000 1.042 129 V CA -0.636 61.672 62.300 0.014 0.000 0.877 129 V CB 2.038 33.829 31.823 -0.053 0.000 0.996 129 V HN 0.681 nan 8.190 nan 0.000 0.425 130 L N 6.388 127.673 121.223 0.103 0.000 2.333 130 L HA 0.645 4.985 4.340 -0.000 0.000 0.280 130 L C -0.643 176.279 176.870 0.087 0.000 1.004 130 L CA 0.060 55.002 54.840 0.170 0.000 0.820 130 L CB 1.379 43.639 42.059 0.336 0.000 1.247 130 L HN 0.528 nan 8.230 nan 0.000 0.416 131 L N 2.893 124.127 121.223 0.019 0.000 2.399 131 L HA 0.433 4.773 4.340 -0.000 0.000 0.266 131 L C 0.517 177.373 176.870 -0.025 0.000 1.114 131 L CA -0.734 54.052 54.840 -0.090 0.000 0.804 131 L CB 0.917 42.959 42.059 -0.027 0.000 1.146 131 L HN 0.632 nan 8.230 nan 0.000 0.451 132 E N 1.987 122.076 120.200 -0.186 0.000 2.447 132 E HA -0.105 4.245 4.350 -0.000 0.000 0.259 132 E C 0.068 176.621 176.600 -0.077 0.000 1.196 132 E CA -0.149 56.237 56.400 -0.023 0.000 0.995 132 E CB 0.336 30.011 29.700 -0.043 0.000 0.974 132 E HN 0.433 nan 8.360 nan 0.000 0.465 133 N N 1.724 120.228 118.700 -0.327 0.000 2.256 133 N HA -0.109 4.631 4.740 -0.000 0.000 0.277 133 N C 0.980 176.342 175.510 -0.246 0.000 1.362 133 N CA 0.668 53.453 53.050 -0.442 0.000 0.861 133 N CB 0.368 38.217 38.487 -1.063 0.000 1.136 133 N HN 0.437 nan 8.380 nan 0.000 0.492 134 V N 2.721 122.635 119.914 -0.000 0.000 2.759 134 V HA -0.089 4.031 4.120 -0.000 0.000 0.256 134 V C 1.767 177.962 176.094 0.169 0.000 1.080 134 V CA 1.329 63.706 62.300 0.129 0.000 1.101 134 V CB -0.380 31.521 31.823 0.131 0.000 0.698 134 V HN 0.536 nan 8.190 nan 0.000 0.477 135 R N -1.071 119.500 120.500 0.119 0.000 2.323 135 R HA 0.191 4.531 4.340 -0.000 0.000 0.198 135 R C 1.530 177.981 176.300 0.253 0.000 0.988 135 R CA 0.318 56.509 56.100 0.151 0.000 1.041 135 R CB -0.229 30.139 30.300 0.114 0.000 0.926 135 R HN 0.456 nan 8.270 nan 0.000 0.476 136 F N -0.286 119.654 119.950 -0.016 0.000 2.604 136 F HA -0.004 4.523 4.527 -0.000 0.000 0.298 136 F C 0.221 175.813 175.800 -0.347 0.000 1.131 136 F CA 0.091 57.983 58.000 -0.180 0.000 1.457 136 F CB -0.189 38.668 39.000 -0.238 0.000 1.095 136 F HN -0.120 nan 8.300 nan 0.000 0.574 137 Y N -0.049 120.385 120.300 0.223 0.000 2.341 137 Y HA 0.273 4.823 4.550 -0.000 0.000 0.338 137 Y C 1.305 177.252 175.900 0.078 0.000 0.965 137 Y CA -1.402 56.771 58.100 0.122 0.000 1.108 137 Y CB 1.139 39.659 38.460 0.100 0.000 1.180 137 Y HN -0.217 nan 8.280 nan 0.000 0.458 138 K N 1.407 121.925 120.400 0.196 0.000 2.209 138 K HA -0.150 4.169 4.320 -0.000 0.000 0.204 138 K C 1.284 177.937 176.600 0.088 0.000 1.048 138 K CA 1.440 57.792 56.287 0.108 0.000 0.940 138 K CB 0.236 32.779 32.500 0.072 0.000 0.729 138 K HN 0.711 nan 8.250 nan 0.000 0.451 139 E N 1.270 121.533 120.200 0.106 0.000 2.204 139 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 139 E C 1.745 178.366 176.600 0.036 0.000 0.990 139 E CA 0.761 57.190 56.400 0.049 0.000 0.821 139 E CB -0.216 29.495 29.700 0.019 0.000 0.750 139 E HN 0.279 nan 8.360 nan 0.000 0.477 140 E N 1.279 121.523 120.200 0.072 0.000 2.070 140 E HA -0.141 4.209 4.350 -0.000 0.000 0.197 140 E C 1.695 178.297 176.600 0.003 0.000 1.004 140 E CA 1.659 58.088 56.400 0.047 0.000 0.805 140 E CB -0.324 29.429 29.700 0.088 0.000 0.744 140 E HN 0.378 nan 8.360 nan 0.000 0.451 141 G N 0.482 109.282 108.800 -0.000 0.000 3.393 141 G HA2 0.031 3.991 3.960 -0.000 0.000 0.255 141 G HA3 0.031 3.991 3.960 -0.000 0.000 0.255 141 G C 0.387 175.269 174.900 -0.030 0.000 1.097 141 G CA 0.160 45.239 45.100 -0.035 0.000 0.780 141 G HN 0.152 nan 8.290 nan 0.000 0.540 142 S N -0.186 115.506 115.700 -0.015 0.000 2.563 142 S HA 0.127 4.597 4.470 -0.000 0.000 0.284 142 S C 1.542 176.126 174.600 -0.028 0.000 1.331 142 S CA 0.034 58.225 58.200 -0.015 0.000 1.047 142 S CB 0.833 64.028 63.200 -0.008 0.000 0.859 142 S HN 0.275 nan 8.310 nan 0.000 0.514 143 K N 2.385 122.770 120.400 -0.026 0.000 2.305 143 K HA 0.141 4.461 4.320 -0.000 0.000 0.199 143 K C 0.173 176.756 176.600 -0.027 0.000 1.047 143 K CA 0.741 57.010 56.287 -0.030 0.000 0.976 143 K CB 0.023 32.508 32.500 -0.025 0.000 0.765 143 K HN 0.449 nan 8.250 nan 0.000 0.474 144 K N 1.429 121.815 120.400 -0.023 0.000 2.262 144 K HA 0.245 4.565 4.320 -0.000 0.000 0.288 144 K C 0.821 177.405 176.600 -0.027 0.000 1.090 144 K CA -0.067 56.206 56.287 -0.022 0.000 0.918 144 K CB 0.987 33.476 32.500 -0.017 0.000 1.139 144 K HN 0.070 nan 8.250 nan 0.000 0.462 145 A N 4.963 127.765 122.820 -0.030 0.000 1.958 145 A HA -0.313 4.007 4.320 -0.000 0.000 0.221 145 A C 2.014 179.577 177.584 -0.036 0.000 1.178 145 A CA 1.977 53.993 52.037 -0.036 0.000 0.642 145 A CB -0.415 18.564 19.000 -0.035 0.000 0.816 145 A HN 0.866 nan 8.150 nan 0.000 0.453 146 K N -0.755 119.627 120.400 -0.031 0.000 2.044 146 K HA -0.238 4.082 4.320 -0.000 0.000 0.210 146 K C 1.232 177.811 176.600 -0.034 0.000 1.049 146 K CA 1.745 58.013 56.287 -0.032 0.000 0.927 146 K CB -0.648 31.837 32.500 -0.026 0.000 0.713 146 K HN 0.311 nan 8.250 nan 0.000 0.443 147 D N 0.956 121.338 120.400 -0.029 0.000 2.097 147 D HA -0.095 4.545 4.640 -0.000 0.000 0.195 147 D C 2.205 178.484 176.300 -0.034 0.000 0.989 147 D CA 1.119 55.103 54.000 -0.027 0.000 0.827 147 D CB -0.201 40.590 40.800 -0.016 0.000 0.966 147 D HN 0.266 nan 8.370 nan 0.000 0.456 148 R N 0.702 121.181 120.500 -0.035 0.000 2.094 148 R HA -0.139 4.201 4.340 -0.000 0.000 0.239 148 R C 2.237 178.504 176.300 -0.055 0.000 1.137 148 R CA 1.258 57.333 56.100 -0.041 0.000 0.943 148 R CB -0.395 29.879 30.300 -0.045 0.000 0.850 148 R HN 0.366 nan 8.270 nan 0.000 0.433 149 E N 0.457 120.622 120.200 -0.058 0.000 2.160 149 E HA -0.183 4.167 4.350 -0.000 0.000 0.195 149 E C 2.024 178.579 176.600 -0.074 0.000 0.991 149 E CA 1.050 57.409 56.400 -0.068 0.000 0.810 149 E CB -0.123 29.540 29.700 -0.062 0.000 0.742 149 E HN 0.382 nan 8.360 nan 0.000 0.466 150 A N 1.347 124.126 122.820 -0.068 0.000 1.865 150 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 150 A C 2.153 179.677 177.584 -0.100 0.000 1.191 150 A CA 1.611 53.602 52.037 -0.076 0.000 0.623 150 A CB -0.502 18.459 19.000 -0.064 0.000 0.826 150 A HN 0.245 nan 8.150 nan 0.000 0.444 151 M N -0.538 119.001 119.600 -0.101 0.000 2.077 151 M HA -0.095 4.385 4.480 -0.000 0.000 0.261 151 M C 2.349 178.574 176.300 -0.124 0.000 1.070 151 M CA 1.691 56.915 55.300 -0.127 0.000 1.125 151 M CB -0.284 32.258 32.600 -0.097 0.000 1.339 151 M HN 0.418 nan 8.290 nan 0.000 0.409 152 A N 0.557 123.317 122.820 -0.099 0.000 1.986 152 A HA -0.248 4.071 4.320 -0.000 0.000 0.220 152 A C 2.034 179.539 177.584 -0.132 0.000 1.171 152 A CA 2.145 54.120 52.037 -0.104 0.000 0.640 152 A CB -0.765 18.174 19.000 -0.101 0.000 0.811 152 A HN 0.597 nan 8.150 nan 0.000 0.451 153 K N -0.606 119.716 120.400 -0.129 0.000 2.063 153 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 153 K C 1.792 178.281 176.600 -0.186 0.000 1.048 153 K CA 1.688 57.894 56.287 -0.135 0.000 0.928 153 K CB -0.374 32.060 32.500 -0.111 0.000 0.713 153 K HN 0.632 nan 8.250 nan 0.000 0.442 154 I N 0.518 120.955 120.570 -0.222 0.000 2.163 154 I HA -0.263 3.907 4.170 -0.000 0.000 0.240 154 I C 2.005 177.776 176.117 -0.576 0.000 1.081 154 I CA 0.707 61.804 61.300 -0.338 0.000 1.353 154 I CB -0.299 37.527 38.000 -0.291 0.000 1.054 154 I HN 0.041 nan 8.210 nan 0.000 0.407 155 L N 1.251 122.226 121.223 -0.413 0.000 2.012 155 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 155 L C 2.748 179.462 176.870 -0.260 0.000 1.073 155 L CA 2.150 56.781 54.840 -0.349 0.000 0.748 155 L CB -1.507 40.524 42.059 -0.048 0.000 0.891 155 L HN 0.244 nan 8.230 nan 0.000 0.431 156 A N -1.003 121.710 122.820 -0.180 0.000 2.076 156 A HA -0.202 4.117 4.320 -0.000 0.000 0.220 156 A C 2.456 179.978 177.584 -0.104 0.000 1.160 156 A CA 1.731 53.706 52.037 -0.103 0.000 0.653 156 A CB -0.740 18.194 19.000 -0.109 0.000 0.801 156 A HN 0.562 nan 8.150 nan 0.000 0.455 157 S N -1.722 113.849 115.700 -0.216 0.000 2.515 157 S HA -0.086 4.384 4.470 -0.000 0.000 0.231 157 S C 1.666 176.249 174.600 -0.027 0.000 0.987 157 S CA 0.803 58.913 58.200 -0.151 0.000 0.936 157 S CB -0.645 62.435 63.200 -0.200 0.000 0.766 157 S HN 0.512 nan 8.310 nan 0.000 0.528 158 Y N 2.461 122.761 120.300 -0.000 0.000 2.314 158 Y HA 0.358 4.908 4.550 -0.000 0.000 0.293 158 Y C 1.730 177.636 175.900 0.011 0.000 1.129 158 Y CA -0.169 57.934 58.100 0.005 0.000 1.201 158 Y CB -0.911 37.553 38.460 0.007 0.000 0.999 158 Y HN 0.491 nan 8.280 nan 0.000 0.541 159 G N -1.542 107.364 108.800 0.176 0.000 2.949 159 G HA2 0.353 4.313 3.960 -0.000 0.000 0.285 159 G HA3 0.353 4.313 3.960 -0.000 0.000 0.285 159 G C -0.429 174.517 174.900 0.077 0.000 1.395 159 G CA -0.407 44.761 45.100 0.113 0.000 0.901 159 G HN -0.064 nan 8.290 nan 0.000 0.519 160 D N -1.133 119.304 120.400 0.062 0.000 2.527 160 D HA 0.060 4.700 4.640 -0.000 0.000 0.249 160 D C 1.374 177.709 176.300 0.058 0.000 1.029 160 D CA 0.663 54.692 54.000 0.048 0.000 0.951 160 D CB -0.137 40.684 40.800 0.035 0.000 1.093 160 D HN 0.296 nan 8.370 nan 0.000 0.464 161 V N -0.200 119.750 119.914 0.060 0.000 2.837 161 V HA 0.443 4.563 4.120 -0.000 0.000 0.310 161 V C -1.492 174.675 176.094 0.122 0.000 1.059 161 V CA -0.667 61.676 62.300 0.072 0.000 1.004 161 V CB 1.636 33.480 31.823 0.035 0.000 1.045 161 V HN 0.201 nan 8.190 nan 0.000 0.465 162 Y N 6.602 126.896 120.300 -0.011 0.000 2.373 162 Y HA 0.725 5.275 4.550 -0.000 0.000 0.336 162 Y C -0.731 175.156 175.900 -0.022 0.000 0.979 162 Y CA -1.109 56.983 58.100 -0.014 0.000 1.080 162 Y CB 1.670 40.124 38.460 -0.011 0.000 1.190 162 Y HN 0.891 nan 8.280 nan 0.000 0.446 163 I N 3.201 123.436 120.570 -0.558 0.000 2.545 163 I HA 0.746 4.916 4.170 -0.000 0.000 0.292 163 I C -1.298 174.368 176.117 -0.752 0.000 1.040 163 I CA -0.390 60.631 61.300 -0.465 0.000 1.068 163 I CB 2.244 40.088 38.000 -0.260 0.000 1.251 163 I HN 0.481 nan 8.210 nan 0.000 0.424 164 S N 3.293 118.708 115.700 -0.474 0.000 2.472 164 S HA 0.565 5.035 4.470 -0.000 0.000 0.303 164 S C -0.274 174.243 174.600 -0.139 0.000 1.099 164 S CA -0.331 57.678 58.200 -0.318 0.000 1.077 164 S CB 1.087 64.260 63.200 -0.045 0.000 1.031 164 S HN 0.814 nan 8.310 nan 0.000 0.487 165 D N 2.609 122.945 120.400 -0.107 0.000 2.525 165 D HA 0.327 4.967 4.640 -0.000 0.000 0.231 165 D C 0.507 176.830 176.300 0.040 0.000 1.216 165 D CA -0.004 53.978 54.000 -0.031 0.000 0.813 165 D CB 0.704 41.458 40.800 -0.077 0.000 1.108 165 D HN 0.566 nan 8.370 nan 0.000 0.524 166 A N 1.144 123.985 122.820 0.034 0.000 3.033 166 A HA 0.201 4.521 4.320 -0.000 0.000 0.250 166 A C 0.131 177.810 177.584 0.158 0.000 1.633 166 A CA -0.500 51.588 52.037 0.085 0.000 1.290 166 A CB -1.557 17.475 19.000 0.053 0.000 1.048 166 A HN 0.222 nan 8.150 nan 0.000 0.648 167 F N 0.998 120.989 119.950 0.068 0.000 2.578 167 F HA 0.396 4.923 4.527 -0.000 0.000 0.376 167 F C 1.200 177.057 175.800 0.094 0.000 1.085 167 F CA 1.375 59.429 58.000 0.089 0.000 1.260 167 F CB 0.464 39.532 39.000 0.114 0.000 1.095 167 F HN 0.525 nan 8.300 nan 0.000 0.573 168 G N 3.334 111.890 108.800 -0.408 0.000 2.284 168 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.201 168 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.201 168 G C 0.638 175.573 174.900 0.059 0.000 0.998 168 G CA 0.164 45.171 45.100 -0.155 0.000 0.651 168 G HN 0.823 nan 8.290 nan 0.000 0.489 169 T N 0.129 114.761 114.554 0.129 0.000 2.986 169 T HA 0.519 4.869 4.350 -0.000 0.000 0.264 169 T C 2.246 176.978 174.700 0.054 0.000 0.964 169 T CA 1.179 63.383 62.100 0.173 0.000 0.895 169 T CB 0.501 69.459 68.868 0.148 0.000 1.163 169 T HN 1.043 nan 8.240 nan 0.000 0.517 170 A N 2.133 124.969 122.820 0.026 0.000 2.070 170 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 170 A C 1.826 179.383 177.584 -0.045 0.000 1.159 170 A CA 1.863 53.882 52.037 -0.031 0.000 0.656 170 A CB -0.875 18.084 19.000 -0.068 0.000 0.800 170 A HN 0.878 nan 8.150 nan 0.000 0.453 171 H N -1.690 117.263 119.070 -0.194 0.000 2.470 171 H HA 0.196 4.752 4.556 -0.000 0.000 0.289 171 H C 0.781 176.052 175.328 -0.095 0.000 1.033 171 H CA 0.444 56.400 56.048 -0.154 0.000 1.331 171 H CB -0.056 29.597 29.762 -0.182 0.000 1.414 171 H HN 0.304 nan 8.280 nan 0.000 0.545 172 R N 1.774 121.836 120.500 -0.729 0.000 2.346 172 R HA 0.125 4.465 4.340 -0.000 0.000 0.311 172 R C -0.777 175.372 176.300 -0.253 0.000 0.983 172 R CA -0.705 55.076 56.100 -0.531 0.000 0.880 172 R CB 1.290 31.213 30.300 -0.628 0.000 1.100 172 R HN 0.345 nan 8.270 nan 0.000 0.453 173 D N 1.830 122.129 120.400 -0.169 0.000 2.350 173 D HA 0.131 4.771 4.640 -0.000 0.000 0.249 173 D C -0.536 175.702 176.300 -0.104 0.000 1.119 173 D CA 0.558 54.494 54.000 -0.107 0.000 0.886 173 D CB 1.017 41.769 40.800 -0.081 0.000 1.195 173 D HN 0.641 nan 8.370 nan 0.000 0.437 174 S N 1.380 117.032 115.700 -0.079 0.000 2.661 174 S HA 0.550 5.020 4.470 -0.000 0.000 0.268 174 S C 0.648 175.219 174.600 -0.048 0.000 1.162 174 S CA -0.217 57.944 58.200 -0.065 0.000 0.817 174 S CB 0.910 64.067 63.200 -0.072 0.000 1.141 174 S HN 0.386 nan 8.310 nan 0.000 0.477 175 A N 1.761 124.561 122.820 -0.035 0.000 1.837 175 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 175 A C 2.426 179.993 177.584 -0.028 0.000 1.210 175 A CA 3.236 55.252 52.037 -0.035 0.000 0.632 175 A CB -2.279 16.711 19.000 -0.018 0.000 0.843 175 A HN 1.802 nan 8.150 nan 0.000 0.448 176 T N -3.134 111.432 114.554 0.018 0.000 2.803 176 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 176 T C 1.782 176.552 174.700 0.117 0.000 1.052 176 T CA 1.882 64.029 62.100 0.077 0.000 1.136 176 T CB -0.322 68.611 68.868 0.109 0.000 0.864 176 T HN 0.190 nan 8.240 nan 0.000 0.467 177 M N 2.041 121.680 119.600 0.065 0.000 2.134 177 M HA 0.074 4.554 4.480 -0.000 0.000 0.262 177 M C 2.645 178.961 176.300 0.026 0.000 1.076 177 M CA 2.121 57.473 55.300 0.086 0.000 1.143 177 M CB -1.480 31.133 32.600 0.023 0.000 1.346 177 M HN 0.672 nan 8.290 nan 0.000 0.421 178 T N -3.914 110.610 114.554 -0.050 0.000 2.999 178 T HA 0.238 4.588 4.350 -0.000 0.000 0.247 178 T C 1.899 176.513 174.700 -0.144 0.000 1.012 178 T CA 0.601 62.647 62.100 -0.090 0.000 1.048 178 T CB -0.683 68.145 68.868 -0.066 0.000 1.020 178 T HN 0.297 nan 8.240 nan 0.000 0.478 179 G N 2.523 111.246 108.800 -0.129 0.000 2.484 179 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.215 179 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.215 179 G C 1.451 176.231 174.900 -0.201 0.000 1.219 179 G CA 0.998 46.017 45.100 -0.136 0.000 0.791 179 G HN 0.504 nan 8.290 nan 0.000 0.550 180 I N 2.221 122.639 120.570 -0.253 0.000 2.113 180 I HA -0.183 3.987 4.170 -0.000 0.000 0.242 180 I C 0.282 176.121 176.117 -0.464 0.000 1.064 180 I CA 1.736 62.839 61.300 -0.328 0.000 1.320 180 I CB -1.102 36.723 38.000 -0.292 0.000 1.028 180 I HN 0.236 nan 8.210 nan 0.000 0.406 181 P HA -0.235 nan 4.420 nan 0.000 0.215 181 P C 1.532 178.679 177.300 -0.254 0.000 1.153 181 P CA 1.747 64.505 63.100 -0.570 0.000 0.853 181 P CB -0.172 31.174 31.700 -0.591 0.000 0.788 182 K N 0.284 120.556 120.400 -0.213 0.000 2.020 182 K HA -0.155 4.165 4.320 -0.000 0.000 0.212 182 K C 2.291 178.824 176.600 -0.111 0.000 1.050 182 K CA 1.685 57.894 56.287 -0.129 0.000 0.929 182 K CB -0.590 31.842 32.500 -0.113 0.000 0.714 182 K HN 0.058 nan 8.250 nan 0.000 0.443 183 I N 0.810 121.304 120.570 -0.127 0.000 2.394 183 I HA -0.238 3.932 4.170 -0.000 0.000 0.251 183 I C 2.208 178.271 176.117 -0.090 0.000 1.136 183 I CA 0.464 61.703 61.300 -0.101 0.000 1.425 183 I CB -0.051 37.884 38.000 -0.109 0.000 1.079 183 I HN 0.204 nan 8.210 nan 0.000 0.425 184 L N 0.547 121.704 121.223 -0.110 0.000 2.240 184 L HA 0.083 4.423 4.340 -0.000 0.000 0.211 184 L C 1.735 178.576 176.870 -0.047 0.000 1.106 184 L CA 1.606 56.403 54.840 -0.072 0.000 0.793 184 L CB -0.631 41.383 42.059 -0.074 0.000 0.927 184 L HN 0.404 nan 8.230 nan 0.000 0.446 185 G N -0.191 108.575 108.800 -0.058 0.000 2.159 185 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.256 185 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.256 185 G C 0.151 175.042 174.900 -0.015 0.000 0.977 185 G CA 0.482 45.561 45.100 -0.034 0.000 0.652 185 G HN 0.727 nan 8.290 nan 0.000 0.531 186 N N -1.309 117.385 118.700 -0.010 0.000 2.331 186 N HA 0.701 5.440 4.740 -0.000 0.000 0.280 186 N C -0.502 175.060 175.510 0.087 0.000 1.155 186 N CA 0.179 53.249 53.050 0.034 0.000 0.822 186 N CB 1.844 40.358 38.487 0.045 0.000 1.619 186 N HN 1.196 nan 8.380 nan 0.000 0.476 187 G N -0.468 108.414 108.800 0.137 0.000 2.657 187 G HA2 0.745 4.705 3.960 -0.000 0.000 0.303 187 G HA3 0.745 4.705 3.960 -0.000 0.000 0.303 187 G C -1.870 173.127 174.900 0.162 0.000 1.457 187 G CA -0.261 45.013 45.100 0.290 0.000 0.982 187 G HN 0.875 nan 8.290 nan 0.000 0.583 188 A N 0.537 123.423 122.820 0.111 0.000 2.498 188 A HA 0.998 5.318 4.320 -0.000 0.000 0.298 188 A C 0.210 177.789 177.584 -0.008 0.000 1.075 188 A CA -0.030 52.031 52.037 0.040 0.000 0.714 188 A CB 1.583 20.588 19.000 0.008 0.000 1.299 188 A HN 2.446 nan 8.150 nan 0.000 0.407 189 A N 0.845 123.669 122.820 0.008 0.000 2.454 189 A HA 0.563 4.883 4.320 -0.000 0.000 0.260 189 A C 0.857 178.398 177.584 -0.072 0.000 1.106 189 A CA 0.448 52.484 52.037 -0.001 0.000 0.780 189 A CB -0.285 18.748 19.000 0.054 0.000 1.044 189 A HN 1.853 nan 8.150 nan 0.000 0.498 190 G N 0.273 109.008 108.800 -0.108 0.000 2.616 190 G HA2 0.371 4.331 3.960 -0.000 0.000 0.268 190 G HA3 0.371 4.331 3.960 -0.000 0.000 0.268 190 G C 0.392 175.234 174.900 -0.096 0.000 1.213 190 G CA -0.267 44.704 45.100 -0.216 0.000 0.926 190 G HN 0.627 nan 8.290 nan 0.000 0.523 191 Y N -0.162 120.140 120.300 0.004 0.000 2.151 191 Y HA -0.129 4.421 4.550 -0.000 0.000 0.284 191 Y C 2.608 178.516 175.900 0.014 0.000 1.166 191 Y CA 1.072 59.178 58.100 0.010 0.000 1.163 191 Y CB -0.797 37.666 38.460 0.005 0.000 0.974 191 Y HN 0.348 nan 8.280 nan 0.000 0.511 192 L N -0.409 120.908 121.223 0.157 0.000 2.027 192 L HA -0.190 4.150 4.340 -0.000 0.000 0.206 192 L C 2.381 179.306 176.870 0.091 0.000 1.074 192 L CA 1.779 56.677 54.840 0.097 0.000 0.745 192 L CB -0.912 41.187 42.059 0.067 0.000 0.898 192 L HN 0.262 nan 8.230 nan 0.000 0.433 193 M N 0.024 119.690 119.600 0.110 0.000 2.082 193 M HA -0.257 4.223 4.480 -0.000 0.000 0.258 193 M C 2.069 178.447 176.300 0.130 0.000 1.071 193 M CA 2.047 57.444 55.300 0.163 0.000 1.103 193 M CB -0.598 32.085 32.600 0.138 0.000 1.307 193 M HN 0.394 nan 8.290 nan 0.000 0.409 194 E N -0.145 120.125 120.200 0.117 0.000 2.045 194 E HA -0.327 4.022 4.350 -0.000 0.000 0.212 194 E C 2.095 178.745 176.600 0.084 0.000 1.039 194 E CA 2.171 58.639 56.400 0.114 0.000 0.860 194 E CB -0.440 29.350 29.700 0.150 0.000 0.776 194 E HN 0.531 nan 8.360 nan 0.000 0.467 195 K N 0.530 120.977 120.400 0.078 0.000 2.034 195 K HA -0.268 4.052 4.320 -0.000 0.000 0.214 195 K C 2.031 178.624 176.600 -0.012 0.000 1.051 195 K CA 1.720 58.035 56.287 0.046 0.000 0.931 195 K CB -0.012 32.525 32.500 0.061 0.000 0.715 195 K HN 0.080 nan 8.250 nan 0.000 0.446 196 E N 0.790 120.934 120.200 -0.093 0.000 2.012 196 E HA -0.210 4.140 4.350 -0.000 0.000 0.197 196 E C 2.233 178.716 176.600 -0.195 0.000 1.007 196 E CA 1.481 57.670 56.400 -0.351 0.000 0.816 196 E CB -0.427 28.626 29.700 -1.078 0.000 0.762 196 E HN 0.417 nan 8.360 nan 0.000 0.451 197 I N 1.451 121.994 120.570 -0.046 0.000 2.113 197 I HA -0.347 3.823 4.170 -0.000 0.000 0.242 197 I C 2.522 178.734 176.117 0.159 0.000 1.064 197 I CA 1.348 62.782 61.300 0.223 0.000 1.320 197 I CB -0.458 37.681 38.000 0.232 0.000 1.028 197 I HN 0.002 nan 8.210 nan 0.000 0.406 198 S N -0.252 115.495 115.700 0.078 0.000 2.365 198 S HA -0.274 4.196 4.470 -0.000 0.000 0.225 198 S C 1.854 176.436 174.600 -0.030 0.000 1.039 198 S CA 1.724 59.943 58.200 0.032 0.000 1.033 198 S CB -0.583 62.632 63.200 0.025 0.000 0.887 198 S HN 0.394 nan 8.310 nan 0.000 0.447 199 Y N 1.264 121.438 120.300 -0.210 0.000 2.060 199 Y HA -0.152 4.398 4.550 -0.000 0.000 0.276 199 Y C 1.965 177.710 175.900 -0.258 0.000 1.127 199 Y CA 1.550 59.412 58.100 -0.396 0.000 1.104 199 Y CB -0.769 37.102 38.460 -0.980 0.000 0.983 199 Y HN 0.182 nan 8.280 nan 0.000 0.483 200 F N -0.044 119.906 119.950 0.001 0.000 2.225 200 F HA -0.287 4.240 4.527 -0.000 0.000 0.302 200 F C 2.329 178.128 175.800 -0.002 0.000 1.068 200 F CA 1.072 59.105 58.000 0.055 0.000 1.327 200 F CB -1.174 37.933 39.000 0.177 0.000 1.043 200 F HN 0.184 nan 8.300 nan 0.000 0.506 201 A N 1.281 124.195 122.820 0.156 0.000 1.822 201 A HA -0.193 4.126 4.320 -0.000 0.000 0.214 201 A C 2.146 179.723 177.584 -0.011 0.000 1.245 201 A CA 1.659 53.745 52.037 0.082 0.000 0.608 201 A CB -0.899 18.144 19.000 0.072 0.000 0.896 201 A HN 0.332 nan 8.150 nan 0.000 0.457 202 K N -0.209 120.146 120.400 -0.075 0.000 2.286 202 K HA -0.058 4.261 4.320 -0.000 0.000 0.203 202 K C 1.310 177.806 176.600 -0.173 0.000 1.045 202 K CA 1.824 58.043 56.287 -0.114 0.000 0.935 202 K CB -1.030 31.393 32.500 -0.128 0.000 0.737 202 K HN 0.188 nan 8.250 nan 0.000 0.460 203 V N 0.496 120.248 119.914 -0.269 0.000 2.331 203 V HA -0.011 4.109 4.120 -0.000 0.000 0.242 203 V C 1.310 177.351 176.094 -0.088 0.000 1.034 203 V CA 1.026 63.148 62.300 -0.296 0.000 1.027 203 V CB -0.224 31.241 31.823 -0.597 0.000 0.667 203 V HN 0.231 nan 8.190 nan 0.000 0.457 204 L N 0.866 122.091 121.223 0.005 0.000 2.939 204 L HA 0.282 4.622 4.340 -0.000 0.000 0.239 204 L C 1.518 178.415 176.870 0.045 0.000 1.325 204 L CA 0.692 55.572 54.840 0.068 0.000 1.170 204 L CB -0.299 41.853 42.059 0.155 0.000 1.538 204 L HN 0.255 nan 8.230 nan 0.000 0.452 205 G N -0.533 108.273 108.800 0.010 0.000 2.688 205 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.214 205 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.214 205 G C 0.638 175.544 174.900 0.010 0.000 1.211 205 G CA -0.198 44.907 45.100 0.009 0.000 0.853 205 G HN 0.423 nan 8.290 nan 0.000 0.591 206 N N 1.875 120.574 118.700 -0.001 0.000 2.886 206 N HA 0.258 4.998 4.740 -0.000 0.000 0.285 206 N C -2.878 172.635 175.510 0.004 0.000 1.706 206 N CA -1.018 52.035 53.050 0.004 0.000 0.904 206 N CB 1.939 40.425 38.487 -0.001 0.000 1.224 206 N HN 0.185 nan 8.380 nan 0.000 0.488 207 P HA 0.073 nan 4.420 nan 0.000 0.263 207 P C -2.660 174.655 177.300 0.026 0.000 1.195 207 P CA -0.744 62.370 63.100 0.024 0.000 0.762 207 P CB 0.130 31.859 31.700 0.049 0.000 0.799 208 P HA 0.023 nan 4.420 nan 0.000 0.254 208 P C 0.233 177.555 177.300 0.036 0.000 1.186 208 P CA 0.504 63.619 63.100 0.025 0.000 0.868 208 P CB 0.060 31.774 31.700 0.023 0.000 0.856 209 R N 4.867 125.389 120.500 0.036 0.000 2.641 209 R HA 0.282 4.622 4.340 -0.000 0.000 0.269 209 R C -2.222 174.110 176.300 0.052 0.000 1.074 209 R CA -2.274 53.855 56.100 0.048 0.000 1.133 209 R CB -0.941 29.383 30.300 0.040 0.000 1.029 209 R HN 0.263 nan 8.270 nan 0.000 0.488 210 P HA 0.074 nan 4.420 nan 0.000 0.272 210 P C -0.676 176.688 177.300 0.106 0.000 1.223 210 P CA -0.377 62.796 63.100 0.121 0.000 0.784 210 P CB 0.487 32.317 31.700 0.217 0.000 0.923 211 L N 3.720 125.020 121.223 0.128 0.000 2.342 211 L HA 0.546 4.886 4.340 -0.000 0.000 0.276 211 L C -1.231 175.720 176.870 0.135 0.000 0.997 211 L CA -0.650 54.253 54.840 0.105 0.000 0.838 211 L CB 1.451 43.561 42.059 0.086 0.000 1.224 211 L HN 0.117 nan 8.230 nan 0.000 0.416 212 V N 5.520 125.489 119.914 0.092 0.000 2.435 212 V HA 0.898 5.018 4.120 -0.000 0.000 0.290 212 V C -0.044 176.080 176.094 0.050 0.000 1.030 212 V CA 0.025 62.368 62.300 0.073 0.000 0.881 212 V CB 1.500 33.285 31.823 -0.063 0.000 0.983 212 V HN 1.039 nan 8.190 nan 0.000 0.445 213 A N 7.562 130.413 122.820 0.051 0.000 2.258 213 A HA 0.804 5.124 4.320 -0.000 0.000 0.316 213 A C -0.789 176.810 177.584 0.025 0.000 1.279 213 A CA -0.480 51.595 52.037 0.064 0.000 0.876 213 A CB 0.407 19.448 19.000 0.068 0.000 1.170 213 A HN 0.782 nan 8.150 nan 0.000 0.520 214 I N 2.872 123.484 120.570 0.069 0.000 2.312 214 I HA 0.442 4.612 4.170 -0.000 0.000 0.290 214 I C -0.031 176.227 176.117 0.234 0.000 1.008 214 I CA -0.438 60.887 61.300 0.041 0.000 1.226 214 I CB 1.714 39.663 38.000 -0.086 0.000 1.371 214 I HN 0.365 nan 8.210 nan 0.000 0.468 215 V N 6.138 126.142 119.914 0.150 0.000 2.588 215 V HA 1.013 5.133 4.120 -0.000 0.000 0.304 215 V C -0.241 175.958 176.094 0.176 0.000 1.042 215 V CA 0.218 62.626 62.300 0.180 0.000 0.877 215 V CB 1.266 33.158 31.823 0.115 0.000 0.996 215 V HN 0.818 nan 8.190 nan 0.000 0.425 216 G N 3.373 112.294 108.800 0.202 0.000 3.039 216 G HA2 0.830 4.790 3.960 -0.000 0.000 0.202 216 G HA3 0.830 4.790 3.960 -0.000 0.000 0.202 216 G C 0.451 175.436 174.900 0.143 0.000 1.151 216 G CA -0.063 45.146 45.100 0.181 0.000 0.836 216 G HN 2.124 nan 8.290 nan 0.000 0.598 217 G N -0.747 108.144 108.800 0.152 0.000 2.525 217 G HA2 0.356 4.315 3.960 -0.000 0.000 0.248 217 G HA3 0.356 4.315 3.960 -0.000 0.000 0.248 217 G C 0.485 175.467 174.900 0.136 0.000 1.238 217 G CA 1.329 46.510 45.100 0.134 0.000 0.926 217 G HN 2.185 nan 8.290 nan 0.000 0.574 218 A N -1.598 121.293 122.820 0.118 0.000 3.822 218 A HA 0.871 5.191 4.320 -0.000 0.000 0.181 218 A C 0.854 178.489 177.584 0.085 0.000 0.902 218 A CA 0.987 53.091 52.037 0.113 0.000 0.825 218 A CB -0.079 18.989 19.000 0.114 0.000 1.447 218 A HN 1.852 nan 8.150 nan 0.000 0.732 219 K N -0.979 119.462 120.400 0.068 0.000 3.035 219 K HA -0.169 4.150 4.320 -0.000 0.000 0.262 219 K C 0.771 177.398 176.600 0.045 0.000 1.024 219 K CA 0.418 56.734 56.287 0.049 0.000 0.748 219 K CB -2.123 30.406 32.500 0.048 0.000 1.247 219 K HN 0.446 nan 8.250 nan 0.000 0.482 220 V N 0.295 120.241 119.914 0.054 0.000 2.250 220 V HA -0.401 3.719 4.120 -0.000 0.000 0.250 220 V C 2.490 178.590 176.094 0.010 0.000 1.060 220 V CA 2.455 64.787 62.300 0.053 0.000 1.030 220 V CB -0.734 31.127 31.823 0.064 0.000 0.643 220 V HN 0.729 nan 8.190 nan 0.000 0.445 221 S N 1.010 116.698 115.700 -0.020 0.000 2.387 221 S HA -0.310 4.160 4.470 -0.000 0.000 0.230 221 S C 1.450 175.996 174.600 -0.089 0.000 1.035 221 S CA 2.191 60.346 58.200 -0.075 0.000 1.014 221 S CB -0.771 62.389 63.200 -0.067 0.000 0.836 221 S HN 0.757 nan 8.310 nan 0.000 0.466 222 D N 1.302 121.679 120.400 -0.038 0.000 2.202 222 D HA 0.098 4.738 4.640 -0.000 0.000 0.214 222 D C 1.953 178.252 176.300 -0.002 0.000 0.967 222 D CA 0.784 54.768 54.000 -0.028 0.000 0.871 222 D CB -0.207 40.593 40.800 -0.001 0.000 1.020 222 D HN 0.361 nan 8.370 nan 0.000 0.474 223 K N 0.549 120.965 120.400 0.026 0.000 2.103 223 K HA -0.103 4.217 4.320 -0.000 0.000 0.207 223 K C 2.038 178.693 176.600 0.092 0.000 1.048 223 K CA 0.669 56.990 56.287 0.058 0.000 0.930 223 K CB -0.137 32.405 32.500 0.070 0.000 0.716 223 K HN 0.150 nan 8.250 nan 0.000 0.444 224 I N 1.106 121.726 120.570 0.083 0.000 2.361 224 I HA -0.285 3.885 4.170 -0.000 0.000 0.251 224 I C 1.736 177.967 176.117 0.190 0.000 1.133 224 I CA 1.311 62.705 61.300 0.158 0.000 1.413 224 I CB 0.085 38.123 38.000 0.063 0.000 1.073 224 I HN 0.297 nan 8.210 nan 0.000 0.424 225 Q N 0.136 119.949 119.800 0.021 0.000 2.436 225 Q HA -0.068 4.272 4.340 -0.000 0.000 0.209 225 Q C 1.909 178.001 176.000 0.153 0.000 0.965 225 Q CA 0.863 56.694 55.803 0.047 0.000 0.910 225 Q CB 0.116 28.792 28.738 -0.103 0.000 0.980 225 Q HN 0.574 nan 8.270 nan 0.000 0.491 226 L N -0.401 120.898 121.223 0.127 0.000 2.477 226 L HA 0.019 4.359 4.340 -0.000 0.000 0.220 226 L C 2.004 178.949 176.870 0.126 0.000 1.106 226 L CA 0.140 55.044 54.840 0.107 0.000 0.851 226 L CB -0.227 41.872 42.059 0.068 0.000 0.994 226 L HN 0.172 nan 8.230 nan 0.000 0.462 227 L N -0.092 121.236 121.223 0.175 0.000 2.046 227 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 227 L C 2.221 179.172 176.870 0.135 0.000 1.077 227 L CA 1.105 56.043 54.840 0.163 0.000 0.747 227 L CB -0.534 41.663 42.059 0.230 0.000 0.896 227 L HN 0.242 nan 8.230 nan 0.000 0.432 228 D N 0.593 121.093 120.400 0.166 0.000 2.106 228 D HA -0.194 4.446 4.640 -0.000 0.000 0.191 228 D C 1.628 177.971 176.300 0.073 0.000 0.997 228 D CA 1.526 55.585 54.000 0.099 0.000 0.834 228 D CB -0.397 40.467 40.800 0.105 0.000 0.956 228 D HN 0.475 nan 8.370 nan 0.000 0.448 229 N N 0.657 119.408 118.700 0.085 0.000 2.501 229 N HA -0.097 4.643 4.740 -0.000 0.000 0.195 229 N C 1.422 176.963 175.510 0.052 0.000 1.213 229 N CA 0.297 53.384 53.050 0.062 0.000 0.864 229 N CB -0.166 38.358 38.487 0.063 0.000 0.999 229 N HN 0.430 nan 8.380 nan 0.000 0.454 230 M N -2.850 116.783 119.600 0.055 0.000 2.300 230 M HA 0.313 4.793 4.480 -0.000 0.000 0.313 230 M C 0.848 177.172 176.300 0.039 0.000 0.988 230 M CA -0.148 55.181 55.300 0.049 0.000 1.012 230 M CB 0.115 32.750 32.600 0.057 0.000 1.586 230 M HN -0.165 nan 8.290 nan 0.000 0.562 231 L N 0.902 122.144 121.223 0.031 0.000 2.201 231 L HA -0.136 4.203 4.340 -0.000 0.000 0.212 231 L C 2.031 178.905 176.870 0.007 0.000 1.105 231 L CA 1.132 55.980 54.840 0.014 0.000 0.775 231 L CB -0.628 41.435 42.059 0.007 0.000 0.913 231 L HN 0.424 nan 8.230 nan 0.000 0.440 232 Q N -0.354 119.455 119.800 0.014 0.000 2.172 232 Q HA -0.082 4.257 4.340 -0.000 0.000 0.200 232 Q C 2.183 178.192 176.000 0.016 0.000 0.964 232 Q CA 0.988 56.797 55.803 0.011 0.000 0.855 232 Q CB -0.148 28.599 28.738 0.016 0.000 0.918 232 Q HN 0.346 nan 8.270 nan 0.000 0.444 233 R N 0.559 121.075 120.500 0.026 0.000 2.112 233 R HA 0.200 4.540 4.340 -0.000 0.000 0.216 233 R C 1.363 177.685 176.300 0.037 0.000 1.080 233 R CA 0.374 56.496 56.100 0.036 0.000 0.996 233 R CB -0.665 29.665 30.300 0.050 0.000 0.902 233 R HN 0.424 nan 8.270 nan 0.000 0.449 234 I N -0.555 120.036 120.570 0.034 0.000 2.834 234 I HA 0.233 4.403 4.170 -0.000 0.000 0.305 234 I C 0.033 176.154 176.117 0.007 0.000 1.008 234 I CA -0.371 60.951 61.300 0.038 0.000 1.273 234 I CB 1.017 39.044 38.000 0.045 0.000 1.432 234 I HN -0.236 nan 8.210 nan 0.000 0.557 235 D N 1.348 121.761 120.400 0.021 0.000 2.470 235 D HA 0.140 4.780 4.640 -0.000 0.000 0.238 235 D C -0.569 175.597 176.300 -0.222 0.000 1.054 235 D CA 1.044 54.997 54.000 -0.079 0.000 0.896 235 D CB 0.417 41.212 40.800 -0.008 0.000 1.118 235 D HN 0.515 nan 8.370 nan 0.000 0.497 236 Y N 0.012 120.284 120.300 -0.046 0.000 2.512 236 Y HA 0.485 5.035 4.550 -0.000 0.000 0.348 236 Y C -0.821 175.022 175.900 -0.094 0.000 0.990 236 Y CA -1.185 56.869 58.100 -0.077 0.000 1.033 236 Y CB 2.420 40.825 38.460 -0.092 0.000 1.259 236 Y HN -0.279 nan 8.280 nan 0.000 0.461 237 L N 4.418 125.664 121.223 0.040 0.000 2.427 237 L HA 0.530 4.870 4.340 -0.000 0.000 0.264 237 L C -1.865 174.912 176.870 -0.156 0.000 0.989 237 L CA -0.383 54.423 54.840 -0.055 0.000 0.865 237 L CB 0.695 42.708 42.059 -0.077 0.000 1.209 237 L HN 0.559 nan 8.230 nan 0.000 0.430 238 L N 5.800 126.873 121.223 -0.251 0.000 2.290 238 L HA 0.484 4.824 4.340 -0.000 0.000 0.284 238 L C -0.430 176.250 176.870 -0.316 0.000 1.078 238 L CA -0.233 54.280 54.840 -0.544 0.000 0.815 238 L CB 1.261 42.794 42.059 -0.877 0.000 1.162 238 L HN 0.549 nan 8.230 nan 0.000 0.435 239 I N 2.499 122.954 120.570 -0.192 0.000 2.436 239 I HA 0.567 4.737 4.170 -0.000 0.000 0.289 239 I C 0.406 176.611 176.117 0.146 0.000 1.010 239 I CA -0.162 61.120 61.300 -0.029 0.000 1.098 239 I CB 1.961 39.870 38.000 -0.152 0.000 1.266 239 I HN 0.690 nan 8.210 nan 0.000 0.434 240 G N 2.933 111.821 108.800 0.146 0.000 3.166 240 G HA2 0.745 4.704 3.960 -0.000 0.000 0.267 240 G HA3 0.745 4.704 3.960 -0.000 0.000 0.267 240 G C -0.078 174.860 174.900 0.063 0.000 1.256 240 G CA -0.332 44.848 45.100 0.133 0.000 0.859 240 G HN 0.960 nan 8.290 nan 0.000 0.590 241 G N -0.925 107.925 108.800 0.083 0.000 2.601 241 G HA2 0.205 4.165 3.960 -0.000 0.000 0.261 241 G HA3 0.205 4.165 3.960 -0.000 0.000 0.261 241 G C 1.411 176.322 174.900 0.018 0.000 1.289 241 G CA 1.355 46.521 45.100 0.110 0.000 0.920 241 G HN 1.914 nan 8.290 nan 0.000 0.571 242 A N -1.670 121.230 122.820 0.133 0.000 1.969 242 A HA 0.130 4.450 4.320 -0.000 0.000 0.218 242 A C 2.462 180.060 177.584 0.024 0.000 1.169 242 A CA 3.142 55.297 52.037 0.197 0.000 0.635 242 A CB -0.408 18.740 19.000 0.247 0.000 0.810 242 A HN 1.763 nan 8.150 nan 0.000 0.445 243 M N 0.662 120.290 119.600 0.047 0.000 2.116 243 M HA -0.222 4.258 4.480 -0.000 0.000 0.255 243 M C 2.042 178.418 176.300 0.126 0.000 1.075 243 M CA 2.024 57.394 55.300 0.116 0.000 1.087 243 M CB -0.600 32.091 32.600 0.151 0.000 1.340 243 M HN 0.394 nan 8.290 nan 0.000 0.402 244 A N -0.806 121.945 122.820 -0.116 0.000 1.883 244 A HA -0.187 4.132 4.320 -0.000 0.000 0.217 244 A C 1.939 179.447 177.584 -0.125 0.000 1.186 244 A CA 1.996 53.942 52.037 -0.151 0.000 0.624 244 A CB -1.424 17.364 19.000 -0.354 0.000 0.822 244 A HN 0.677 nan 8.150 nan 0.000 0.444 245 Y N 0.841 121.247 120.300 0.177 0.000 2.193 245 Y HA -0.184 4.366 4.550 -0.000 0.000 0.285 245 Y C 2.888 178.861 175.900 0.122 0.000 1.166 245 Y CA 1.370 59.541 58.100 0.118 0.000 1.181 245 Y CB -1.673 36.819 38.460 0.054 0.000 0.976 245 Y HN 0.258 nan 8.280 nan 0.000 0.520 246 T N 0.223 114.883 114.554 0.176 0.000 2.708 246 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 246 T C 1.682 176.396 174.700 0.023 0.000 1.037 246 T CA 1.577 63.709 62.100 0.054 0.000 1.146 246 T CB -0.668 68.161 68.868 -0.065 0.000 0.865 246 T HN 0.166 nan 8.240 nan 0.000 0.435 247 F N 1.165 121.178 119.950 0.106 0.000 2.102 247 F HA 0.030 4.557 4.527 -0.000 0.000 0.298 247 F C 2.205 178.100 175.800 0.158 0.000 1.105 247 F CA 0.869 58.938 58.000 0.114 0.000 1.239 247 F CB -0.684 38.368 39.000 0.086 0.000 0.991 247 F HN 0.064 nan 8.300 nan 0.000 0.474 248 L N -0.170 121.270 121.223 0.361 0.000 2.042 248 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 248 L C 2.538 179.656 176.870 0.413 0.000 1.076 248 L CA 1.544 56.614 54.840 0.383 0.000 0.749 248 L CB -0.667 41.571 42.059 0.299 0.000 0.893 248 L HN 0.116 nan 8.230 nan 0.000 0.432 249 K N 0.270 120.836 120.400 0.276 0.000 2.057 249 K HA -0.161 4.158 4.320 -0.000 0.000 0.206 249 K C 2.149 178.830 176.600 0.135 0.000 1.050 249 K CA 1.256 57.657 56.287 0.190 0.000 0.935 249 K CB -0.059 32.523 32.500 0.135 0.000 0.715 249 K HN 0.270 nan 8.250 nan 0.000 0.439 250 A N 1.094 123.987 122.820 0.122 0.000 1.972 250 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 250 A C 1.859 179.502 177.584 0.098 0.000 1.169 250 A CA 1.342 53.428 52.037 0.081 0.000 0.635 250 A CB -0.361 18.668 19.000 0.048 0.000 0.810 250 A HN 0.455 nan 8.150 nan 0.000 0.446 251 Q N -2.007 117.896 119.800 0.171 0.000 2.378 251 Q HA 0.185 4.525 4.340 -0.000 0.000 0.205 251 Q C 1.052 177.012 176.000 -0.067 0.000 0.954 251 Q CA 0.536 56.423 55.803 0.141 0.000 0.901 251 Q CB 0.070 29.029 28.738 0.368 0.000 0.981 251 Q HN 0.918 nan 8.270 nan 0.000 0.483 252 G N -0.279 108.492 108.800 -0.047 0.000 2.135 252 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.183 252 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.183 252 G C -0.568 174.177 174.900 -0.259 0.000 1.004 252 G CA -0.528 44.474 45.100 -0.164 0.000 0.677 252 G HN 0.181 nan 8.290 nan 0.000 0.512 253 Y N 0.777 121.125 120.300 0.080 0.000 2.488 253 Y HA 0.678 5.227 4.550 -0.000 0.000 0.325 253 Y C 1.121 177.064 175.900 0.071 0.000 1.204 253 Y CA -0.491 57.659 58.100 0.085 0.000 1.229 253 Y CB 1.458 39.992 38.460 0.123 0.000 1.274 253 Y HN 0.096 nan 8.280 nan 0.000 0.493 254 S N 1.551 117.399 115.700 0.247 0.000 2.499 254 S HA 0.151 4.621 4.470 -0.000 0.000 0.275 254 S C 0.353 175.016 174.600 0.106 0.000 1.257 254 S CA -0.281 57.997 58.200 0.130 0.000 1.050 254 S CB 0.361 63.615 63.200 0.091 0.000 0.937 254 S HN 0.455 nan 8.310 nan 0.000 0.490 255 I N 2.741 123.346 120.570 0.059 0.000 3.968 255 I HA 0.230 4.400 4.170 -0.000 0.000 0.328 255 I C 1.537 177.591 176.117 -0.104 0.000 1.290 255 I CA 0.576 61.871 61.300 -0.008 0.000 1.163 255 I CB -1.025 37.010 38.000 0.059 0.000 1.024 255 I HN 0.951 nan 8.210 nan 0.000 0.413 256 G N 1.187 109.957 108.800 -0.050 0.000 2.582 256 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.288 256 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.288 256 G C 0.865 175.723 174.900 -0.070 0.000 1.247 256 G CA 0.300 45.369 45.100 -0.051 0.000 0.972 256 G HN 0.325 nan 8.290 nan 0.000 0.557 257 K N 0.979 121.329 120.400 -0.083 0.000 2.551 257 K HA 0.303 4.623 4.320 -0.000 0.000 0.204 257 K C 0.781 177.307 176.600 -0.123 0.000 1.033 257 K CA 0.330 56.569 56.287 -0.081 0.000 1.187 257 K CB 0.080 32.539 32.500 -0.068 0.000 0.900 257 K HN 0.352 nan 8.250 nan 0.000 0.499 258 S N 1.595 117.162 115.700 -0.223 0.000 2.593 258 S HA 0.056 4.525 4.470 -0.000 0.000 0.269 258 S C 0.255 174.763 174.600 -0.153 0.000 1.334 258 S CA -0.539 57.441 58.200 -0.366 0.000 1.015 258 S CB 0.949 63.572 63.200 -0.962 0.000 0.912 258 S HN 0.130 nan 8.310 nan 0.000 0.541 259 K N 1.090 121.465 120.400 -0.041 0.000 2.484 259 K HA 0.099 4.419 4.320 -0.000 0.000 0.280 259 K C -0.562 176.152 176.600 0.190 0.000 1.013 259 K CA 0.171 56.526 56.287 0.114 0.000 1.029 259 K CB -0.111 32.506 32.500 0.195 0.000 0.902 259 K HN 0.743 nan 8.250 nan 0.000 0.481 260 C N 4.304 123.674 119.300 0.116 0.000 3.082 260 C HA 0.347 4.807 4.460 -0.000 0.000 0.324 260 C C -1.198 173.826 174.990 0.056 0.000 1.210 260 C CA -0.692 58.394 59.018 0.113 0.000 1.366 260 C CB 1.443 29.246 27.740 0.104 0.000 1.756 260 C HN 0.831 nan 8.230 nan 0.000 0.485 261 E N 3.248 123.470 120.200 0.036 0.000 2.026 261 E HA 0.149 4.499 4.350 -0.000 0.000 0.253 261 E C 1.010 177.607 176.600 -0.005 0.000 1.056 261 E CA -0.158 56.243 56.400 0.001 0.000 0.927 261 E CB 0.724 30.407 29.700 -0.029 0.000 1.172 261 E HN 0.641 nan 8.360 nan 0.000 0.445 262 E N 0.347 120.550 120.200 0.006 0.000 2.233 262 E HA -0.164 4.185 4.350 -0.000 0.000 0.199 262 E C 1.224 177.824 176.600 -0.000 0.000 1.004 262 E CA 1.163 57.567 56.400 0.007 0.000 0.819 262 E CB 0.041 29.746 29.700 0.007 0.000 0.738 262 E HN 0.286 nan 8.360 nan 0.000 0.478 263 S N -0.352 115.342 115.700 -0.010 0.000 2.671 263 S HA 0.168 4.638 4.470 -0.000 0.000 0.220 263 S C 1.315 175.905 174.600 -0.017 0.000 0.951 263 S CA 0.080 58.273 58.200 -0.013 0.000 0.932 263 S CB 0.320 63.505 63.200 -0.023 0.000 0.777 263 S HN -0.074 nan 8.310 nan 0.000 0.508 264 K N 0.488 120.877 120.400 -0.017 0.000 2.440 264 K HA 0.510 4.830 4.320 -0.000 0.000 0.207 264 K C 1.256 177.873 176.600 0.029 0.000 1.112 264 K CA -0.028 56.255 56.287 -0.005 0.000 1.036 264 K CB -0.190 32.261 32.500 -0.081 0.000 0.935 264 K HN 0.240 nan 8.250 nan 0.000 0.564 265 L N 0.813 122.038 121.223 0.003 0.000 2.021 265 L HA -0.301 4.038 4.340 -0.000 0.000 0.215 265 L C 1.736 178.614 176.870 0.014 0.000 1.074 265 L CA 1.756 56.594 54.840 -0.003 0.000 0.760 265 L CB -0.338 41.728 42.059 0.011 0.000 0.889 265 L HN 0.298 nan 8.230 nan 0.000 0.433 266 E N -0.672 119.553 120.200 0.041 0.000 2.106 266 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 266 E C 2.067 178.689 176.600 0.037 0.000 0.984 266 E CA 1.087 57.509 56.400 0.037 0.000 0.806 266 E CB -0.154 29.572 29.700 0.042 0.000 0.750 266 E HN 0.376 nan 8.360 nan 0.000 0.458 267 F N 1.724 121.642 119.950 -0.053 0.000 2.095 267 F HA -0.236 4.291 4.527 -0.000 0.000 0.298 267 F C 2.276 178.032 175.800 -0.075 0.000 1.104 267 F CA 1.492 59.461 58.000 -0.053 0.000 1.232 267 F CB -0.256 38.705 39.000 -0.064 0.000 0.987 267 F HN -0.052 nan 8.300 nan 0.000 0.475 268 A N 0.455 123.266 122.820 -0.015 0.000 1.865 268 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 268 A C 2.351 179.932 177.584 -0.005 0.000 1.191 268 A CA 1.960 53.842 52.037 -0.258 0.000 0.623 268 A CB -0.877 17.805 19.000 -0.531 0.000 0.826 268 A HN 0.436 nan 8.150 nan 0.000 0.444 269 R N -0.958 119.541 120.500 -0.002 0.000 2.091 269 R HA -0.120 4.220 4.340 -0.000 0.000 0.238 269 R C 2.674 178.972 176.300 -0.003 0.000 1.136 269 R CA 1.576 57.696 56.100 0.034 0.000 0.959 269 R CB -0.387 29.925 30.300 0.020 0.000 0.856 269 R HN 0.554 nan 8.270 nan 0.000 0.437 270 S N 0.691 116.341 115.700 -0.084 0.000 2.383 270 S HA -0.070 4.400 4.470 -0.000 0.000 0.227 270 S C 1.858 176.376 174.600 -0.136 0.000 1.026 270 S CA 0.785 58.907 58.200 -0.129 0.000 0.981 270 S CB -0.100 62.973 63.200 -0.213 0.000 0.818 270 S HN 0.303 nan 8.310 nan 0.000 0.472 271 L N 0.975 122.096 121.223 -0.170 0.000 2.083 271 L HA -0.020 4.320 4.340 -0.000 0.000 0.209 271 L C 2.107 179.008 176.870 0.052 0.000 1.083 271 L CA 1.242 56.040 54.840 -0.070 0.000 0.752 271 L CB -0.233 41.851 42.059 0.042 0.000 0.899 271 L HN 0.364 nan 8.230 nan 0.000 0.433 272 L N -0.676 120.617 121.223 0.118 0.000 2.083 272 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 272 L C 2.603 179.492 176.870 0.031 0.000 1.083 272 L CA 0.908 55.805 54.840 0.096 0.000 0.752 272 L CB -0.457 41.689 42.059 0.146 0.000 0.899 272 L HN 0.185 nan 8.230 nan 0.000 0.433 273 K N 0.824 121.231 120.400 0.013 0.000 1.985 273 K HA -0.152 4.168 4.320 -0.000 0.000 0.210 273 K C 2.024 178.614 176.600 -0.016 0.000 1.047 273 K CA 1.503 57.787 56.287 -0.005 0.000 0.932 273 K CB -0.174 32.316 32.500 -0.017 0.000 0.716 273 K HN 0.158 nan 8.250 nan 0.000 0.439 274 K N -0.051 120.333 120.400 -0.027 0.000 2.063 274 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 274 K C 2.148 178.735 176.600 -0.021 0.000 1.048 274 K CA 1.368 57.638 56.287 -0.028 0.000 0.928 274 K CB -0.318 32.158 32.500 -0.040 0.000 0.713 274 K HN 0.170 nan 8.250 nan 0.000 0.442 275 A N 2.110 124.920 122.820 -0.016 0.000 1.892 275 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 275 A C 2.048 179.612 177.584 -0.034 0.000 1.188 275 A CA 1.794 53.816 52.037 -0.024 0.000 0.631 275 A CB -0.513 18.472 19.000 -0.026 0.000 0.822 275 A HN 0.343 nan 8.150 nan 0.000 0.447 276 E N -0.289 119.896 120.200 -0.026 0.000 2.038 276 E HA -0.225 4.125 4.350 -0.000 0.000 0.195 276 E C 1.683 178.265 176.600 -0.030 0.000 1.000 276 E CA 1.359 57.741 56.400 -0.029 0.000 0.803 276 E CB -0.349 29.340 29.700 -0.017 0.000 0.750 276 E HN 0.569 nan 8.360 nan 0.000 0.448 277 D N 0.193 120.579 120.400 -0.024 0.000 2.158 277 D HA -0.143 4.496 4.640 -0.000 0.000 0.197 277 D C 1.587 177.873 176.300 -0.024 0.000 0.995 277 D CA 0.920 54.907 54.000 -0.022 0.000 0.846 277 D CB -0.098 40.691 40.800 -0.019 0.000 0.941 277 D HN -0.001 nan 8.370 nan 0.000 0.456 278 R N 0.557 121.041 120.500 -0.026 0.000 2.320 278 R HA 0.141 4.481 4.340 -0.000 0.000 0.211 278 R C 0.223 176.500 176.300 -0.039 0.000 0.931 278 R CA -0.238 55.846 56.100 -0.026 0.000 1.071 278 R CB -0.304 29.984 30.300 -0.020 0.000 1.025 278 R HN 0.212 nan 8.270 nan 0.000 0.495 279 K N 0.387 120.758 120.400 -0.049 0.000 3.244 279 K HA -0.117 4.203 4.320 -0.000 0.000 0.270 279 K C -1.005 175.533 176.600 -0.104 0.000 1.016 279 K CA 0.451 56.695 56.287 -0.072 0.000 0.754 279 K CB -1.405 31.057 32.500 -0.062 0.000 1.326 279 K HN -0.047 nan 8.250 nan 0.000 0.465 280 V N 1.410 121.262 119.914 -0.104 0.000 2.407 280 V HA 0.136 4.256 4.120 -0.000 0.000 0.291 280 V C 0.354 176.357 176.094 -0.152 0.000 1.018 280 V CA -0.564 61.659 62.300 -0.129 0.000 0.842 280 V CB 1.588 33.366 31.823 -0.074 0.000 0.996 280 V HN 0.283 nan 8.190 nan 0.000 0.426 281 Q N 3.952 123.599 119.800 -0.254 0.000 2.369 281 Q HA 0.365 4.705 4.340 -0.000 0.000 0.247 281 Q C -0.868 175.078 176.000 -0.090 0.000 1.083 281 Q CA -0.223 55.460 55.803 -0.200 0.000 0.905 281 Q CB 1.073 29.605 28.738 -0.343 0.000 1.305 281 Q HN 0.646 nan 8.270 nan 0.000 0.465 282 V N 6.279 126.149 119.914 -0.074 0.000 2.498 282 V HA 0.347 4.467 4.120 -0.000 0.000 0.279 282 V C 0.202 176.262 176.094 -0.057 0.000 1.048 282 V CA -0.173 62.075 62.300 -0.088 0.000 0.967 282 V CB 1.157 32.902 31.823 -0.129 0.000 0.988 282 V HN 0.680 nan 8.190 nan 0.000 0.473 283 I N 5.687 126.214 120.570 -0.072 0.000 2.545 283 I HA 0.525 4.695 4.170 -0.000 0.000 0.292 283 I C -0.572 175.556 176.117 0.019 0.000 1.040 283 I CA -0.429 60.869 61.300 -0.003 0.000 1.068 283 I CB 2.015 40.036 38.000 0.036 0.000 1.251 283 I HN 0.388 nan 8.210 nan 0.000 0.424 284 L N 5.601 126.869 121.223 0.074 0.000 2.279 284 L HA 0.607 4.947 4.340 -0.000 0.000 0.262 284 L C -2.412 174.504 176.870 0.076 0.000 1.019 284 L CA -1.957 52.933 54.840 0.082 0.000 0.823 284 L CB 1.927 43.997 42.059 0.019 0.000 1.358 284 L HN 0.259 nan 8.230 nan 0.000 0.432 285 P HA 0.085 nan 4.420 nan 0.000 0.264 285 P C 0.251 177.385 177.300 -0.278 0.000 1.183 285 P CA 0.473 63.453 63.100 -0.201 0.000 0.763 285 P CB 0.627 32.226 31.700 -0.169 0.000 0.807 286 I N 1.198 121.580 120.570 -0.313 0.000 3.081 286 I HA 0.023 4.193 4.170 -0.000 0.000 0.274 286 I C 0.602 176.515 176.117 -0.339 0.000 1.178 286 I CA 0.853 61.996 61.300 -0.260 0.000 1.460 286 I CB 0.071 37.966 38.000 -0.176 0.000 1.137 286 I HN 0.442 nan 8.210 nan 0.000 0.443 287 D N -1.565 118.569 120.400 -0.445 0.000 2.579 287 D HA 0.396 5.036 4.640 -0.000 0.000 0.257 287 D C -0.659 175.279 176.300 -0.602 0.000 1.176 287 D CA -0.505 53.236 54.000 -0.432 0.000 0.914 287 D CB 1.183 41.867 40.800 -0.194 0.000 1.431 287 D HN -0.091 nan 8.370 nan 0.000 0.454 288 H N -1.618 117.442 119.070 -0.017 0.000 2.946 288 H HA 0.595 5.151 4.556 -0.000 0.000 0.365 288 H C -0.858 174.480 175.328 0.017 0.000 1.197 288 H CA -0.913 55.144 56.048 0.015 0.000 1.131 288 H CB 2.007 31.800 29.762 0.051 0.000 1.849 288 H HN 0.140 nan 8.280 nan 0.000 0.555 289 V N 1.808 121.828 119.914 0.175 0.000 2.384 289 V HA 0.324 4.444 4.120 -0.000 0.000 0.287 289 V C 0.020 176.162 176.094 0.080 0.000 1.020 289 V CA -0.311 62.070 62.300 0.135 0.000 0.850 289 V CB 0.768 32.695 31.823 0.174 0.000 0.987 289 V HN 0.785 nan 8.190 nan 0.000 0.436 290 C N 3.461 122.820 119.300 0.099 0.000 3.108 290 C HA 0.897 5.357 4.460 -0.000 0.000 0.321 290 C C -0.490 174.637 174.990 0.227 0.000 1.357 290 C CA -0.722 58.340 59.018 0.074 0.000 1.562 290 C CB 1.935 29.734 27.740 0.098 0.000 2.003 290 C HN 0.987 nan 8.230 nan 0.000 0.460 291 H N -1.203 117.890 119.070 0.038 0.000 3.042 291 H HA 0.370 4.926 4.556 -0.000 0.000 0.346 291 H C 0.708 175.930 175.328 -0.177 0.000 1.294 291 H CA 0.437 56.489 56.048 0.006 0.000 1.141 291 H CB 1.424 31.192 29.762 0.009 0.000 1.872 291 H HN 0.700 nan 8.280 nan 0.000 0.541 292 T N -0.479 113.403 114.554 -1.120 0.000 3.035 292 T HA 0.047 4.396 4.350 -0.000 0.000 0.268 292 T C 0.277 174.668 174.700 -0.516 0.000 1.109 292 T CA 1.144 62.727 62.100 -0.861 0.000 1.119 292 T CB -0.073 68.318 68.868 -0.795 0.000 0.900 292 T HN 0.619 nan 8.240 nan 0.000 0.503 293 E N -0.713 119.198 120.200 -0.481 0.000 2.413 293 E HA 0.381 4.731 4.350 -0.000 0.000 0.277 293 E C -1.393 175.339 176.600 0.219 0.000 0.958 293 E CA -1.220 55.159 56.400 -0.036 0.000 0.779 293 E CB 0.520 30.230 29.700 0.017 0.000 1.278 293 E HN 0.000 nan 8.360 nan 0.000 0.456 294 F N 1.927 121.909 119.950 0.053 0.000 2.626 294 F HA 0.204 4.730 4.527 -0.000 0.000 0.374 294 F C -0.493 175.391 175.800 0.141 0.000 1.184 294 F CA 0.455 58.497 58.000 0.069 0.000 1.339 294 F CB -0.313 38.700 39.000 0.022 0.000 1.730 294 F HN 0.210 nan 8.300 nan 0.000 0.650 295 K N 1.822 122.385 120.400 0.272 0.000 2.468 295 K HA 0.629 4.949 4.320 -0.000 0.000 0.252 295 K C -0.567 176.121 176.600 0.146 0.000 0.932 295 K CA -1.053 55.358 56.287 0.207 0.000 0.794 295 K CB 1.864 34.482 32.500 0.196 0.000 1.241 295 K HN 0.167 nan 8.250 nan 0.000 0.428 296 A N 1.533 124.365 122.820 0.021 0.000 2.445 296 A HA 0.452 4.772 4.320 -0.000 0.000 0.242 296 A C -0.529 176.912 177.584 -0.238 0.000 1.075 296 A CA -0.224 51.684 52.037 -0.216 0.000 0.777 296 A CB 0.699 19.543 19.000 -0.260 0.000 1.013 296 A HN 0.448 nan 8.150 nan 0.000 0.493 297 V N 2.504 122.223 119.914 -0.326 0.000 2.852 297 V HA 0.339 4.459 4.120 -0.000 0.000 0.300 297 V C -1.537 174.435 176.094 -0.203 0.000 1.205 297 V CA -0.896 61.251 62.300 -0.255 0.000 0.940 297 V CB 1.977 33.572 31.823 -0.379 0.000 1.047 297 V HN 0.995 nan 8.190 nan 0.000 0.429 298 D N 4.091 124.409 120.400 -0.137 0.000 2.458 298 D HA 0.403 5.043 4.640 -0.000 0.000 0.243 298 D C 0.483 176.742 176.300 -0.068 0.000 1.146 298 D CA 1.293 55.234 54.000 -0.100 0.000 0.877 298 D CB 0.638 41.398 40.800 -0.066 0.000 1.176 298 D HN 0.880 nan 8.370 nan 0.000 0.461 299 S N 0.740 116.411 115.700 -0.048 0.000 3.667 299 S HA -0.112 4.358 4.470 -0.000 0.000 0.405 299 S C -1.982 172.632 174.600 0.024 0.000 0.913 299 S CA -0.182 58.014 58.200 -0.007 0.000 1.288 299 S CB -1.385 61.815 63.200 0.000 0.000 0.905 299 S HN 0.500 nan 8.310 nan 0.000 0.550 300 P HA 0.472 nan 4.420 nan 0.000 0.289 300 P C 0.133 177.525 177.300 0.153 0.000 1.299 300 P CA -0.907 62.273 63.100 0.133 0.000 0.766 300 P CB 0.547 32.397 31.700 0.249 0.000 1.226 301 L N 0.965 122.313 121.223 0.208 0.000 2.410 301 L HA 0.278 4.618 4.340 -0.000 0.000 0.273 301 L C -0.144 176.784 176.870 0.097 0.000 1.144 301 L CA -0.195 54.728 54.840 0.139 0.000 0.863 301 L CB -0.648 41.489 42.059 0.130 0.000 1.140 301 L HN 0.241 nan 8.230 nan 0.000 0.463 302 I N 5.167 125.772 120.570 0.059 0.000 2.382 302 I HA 0.449 4.619 4.170 -0.000 0.000 0.285 302 I C 0.335 176.465 176.117 0.021 0.000 1.007 302 I CA -0.006 61.322 61.300 0.048 0.000 1.142 302 I CB 1.218 39.241 38.000 0.039 0.000 1.289 302 I HN 0.816 nan 8.210 nan 0.000 0.453 303 T N 2.976 117.548 114.554 0.030 0.000 2.748 303 T HA 0.314 4.664 4.350 -0.000 0.000 0.304 303 T C 0.605 175.301 174.700 -0.007 0.000 1.041 303 T CA -0.112 61.998 62.100 0.017 0.000 1.033 303 T CB 0.891 69.803 68.868 0.074 0.000 0.995 303 T HN 0.662 nan 8.240 nan 0.000 0.536 304 E N -0.081 120.115 120.200 -0.007 0.000 2.330 304 E HA 0.189 4.539 4.350 -0.000 0.000 0.200 304 E C 0.041 176.625 176.600 -0.026 0.000 0.922 304 E CA 0.166 56.555 56.400 -0.019 0.000 0.935 304 E CB 0.237 29.933 29.700 -0.006 0.000 0.917 304 E HN 0.638 nan 8.360 nan 0.000 0.491 305 D N 0.141 120.540 120.400 -0.002 0.000 2.549 305 D HA 0.193 4.833 4.640 -0.000 0.000 0.270 305 D C 0.818 177.100 176.300 -0.030 0.000 1.181 305 D CA -0.290 53.714 54.000 0.006 0.000 1.070 305 D CB 0.904 41.747 40.800 0.071 0.000 1.154 305 D HN -0.257 nan 8.370 nan 0.000 0.602 306 Q N -0.413 119.343 119.800 -0.073 0.000 2.424 306 Q HA 0.146 4.486 4.340 -0.000 0.000 0.204 306 Q C -0.306 175.808 176.000 0.190 0.000 0.933 306 Q CA 0.373 56.096 55.803 -0.133 0.000 0.929 306 Q CB 0.181 28.466 28.738 -0.756 0.000 1.037 306 Q HN 0.242 nan 8.270 nan 0.000 0.511 307 N N 0.683 119.496 118.700 0.189 0.000 2.520 307 N HA 0.191 4.931 4.740 -0.000 0.000 0.273 307 N C -0.667 174.922 175.510 0.132 0.000 1.155 307 N CA 0.219 53.392 53.050 0.204 0.000 0.967 307 N CB 1.092 39.693 38.487 0.190 0.000 1.092 307 N HN 0.100 nan 8.380 nan 0.000 0.457 308 I N 2.855 123.454 120.570 0.049 0.000 2.404 308 I HA 0.283 4.453 4.170 -0.000 0.000 0.293 308 I C -2.181 173.917 176.117 -0.031 0.000 0.992 308 I CA -2.187 59.089 61.300 -0.040 0.000 1.149 308 I CB 2.000 39.897 38.000 -0.172 0.000 1.315 308 I HN 0.182 nan 8.210 nan 0.000 0.446 309 P HA 0.014 nan 4.420 nan 0.000 0.265 309 P C 0.050 177.374 177.300 0.039 0.000 1.193 309 P CA 0.011 63.084 63.100 -0.044 0.000 0.765 309 P CB 0.517 32.095 31.700 -0.202 0.000 0.823 310 E N 2.069 122.292 120.200 0.039 0.000 2.136 310 E HA -0.220 4.130 4.350 -0.000 0.000 0.202 310 E C 2.032 178.658 176.600 0.044 0.000 1.019 310 E CA 2.078 58.498 56.400 0.033 0.000 0.819 310 E CB -1.176 28.539 29.700 0.024 0.000 0.739 310 E HN 0.621 nan 8.360 nan 0.000 0.458 311 G N -0.485 108.375 108.800 0.101 0.000 2.920 311 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.208 311 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.208 311 G C -0.198 174.672 174.900 -0.050 0.000 1.159 311 G CA -0.016 45.106 45.100 0.036 0.000 0.784 311 G HN 0.190 nan 8.290 nan 0.000 0.535 312 H N -0.589 118.426 119.070 -0.092 0.000 2.676 312 H HA 0.696 5.251 4.556 -0.000 0.000 0.352 312 H C 0.224 175.464 175.328 -0.148 0.000 1.193 312 H CA -0.771 55.207 56.048 -0.117 0.000 1.243 312 H CB 1.601 31.309 29.762 -0.089 0.000 1.751 312 H HN 0.149 nan 8.280 nan 0.000 0.567 313 M N 0.118 119.687 119.600 -0.051 0.000 2.327 313 M HA 0.760 5.240 4.480 -0.000 0.000 0.298 313 M C -1.024 175.141 176.300 -0.226 0.000 1.065 313 M CA -1.322 53.872 55.300 -0.177 0.000 0.916 313 M CB 2.352 34.873 32.600 -0.132 0.000 1.630 313 M HN 0.536 nan 8.290 nan 0.000 0.442 314 A N 3.862 126.442 122.820 -0.399 0.000 2.409 314 A HA 0.595 4.915 4.320 -0.000 0.000 0.267 314 A C 0.296 177.752 177.584 -0.213 0.000 1.127 314 A CA -0.567 51.296 52.037 -0.289 0.000 0.795 314 A CB 0.096 18.874 19.000 -0.370 0.000 1.061 314 A HN 1.084 nan 8.150 nan 0.000 0.502 315 L N 0.950 122.030 121.223 -0.239 0.000 2.766 315 L HA 0.313 4.652 4.340 -0.000 0.000 0.242 315 L C -0.042 176.768 176.870 -0.100 0.000 1.136 315 L CA 0.211 54.836 54.840 -0.359 0.000 0.933 315 L CB 0.321 41.707 42.059 -1.123 0.000 1.241 315 L HN 0.769 nan 8.230 nan 0.000 0.522 316 D N -0.285 120.149 120.400 0.057 0.000 2.683 316 D HA 0.256 4.896 4.640 -0.000 0.000 0.246 316 D C -0.836 175.550 176.300 0.143 0.000 1.238 316 D CA -0.559 53.520 54.000 0.133 0.000 0.759 316 D CB 1.573 42.476 40.800 0.172 0.000 1.349 316 D HN 0.040 nan 8.370 nan 0.000 0.426 317 I N -0.377 120.238 120.570 0.075 0.000 2.638 317 I HA 0.689 4.859 4.170 -0.000 0.000 0.286 317 I C 0.952 177.039 176.117 -0.051 0.000 1.088 317 I CA -0.445 60.841 61.300 -0.023 0.000 1.397 317 I CB 0.852 38.746 38.000 -0.177 0.000 1.414 317 I HN 0.250 nan 8.210 nan 0.000 0.566 318 G N 3.782 112.517 108.800 -0.110 0.000 2.580 318 G HA2 0.385 4.345 3.960 -0.000 0.000 0.278 318 G HA3 0.385 4.345 3.960 -0.000 0.000 0.278 318 G C -1.511 173.320 174.900 -0.115 0.000 1.212 318 G CA -1.168 43.880 45.100 -0.087 0.000 0.939 318 G HN 0.620 nan 8.290 nan 0.000 0.513 319 P HA -0.143 nan 4.420 nan 0.000 0.216 319 P C 1.321 178.561 177.300 -0.100 0.000 1.153 319 P CA 1.486 64.542 63.100 -0.074 0.000 0.858 319 P CB 0.224 31.898 31.700 -0.045 0.000 0.789 320 K N -0.769 119.565 120.400 -0.110 0.000 2.148 320 K HA -0.045 4.275 4.320 -0.000 0.000 0.204 320 K C 2.207 178.710 176.600 -0.161 0.000 1.050 320 K CA 1.649 57.869 56.287 -0.112 0.000 0.942 320 K CB -0.619 31.822 32.500 -0.099 0.000 0.724 320 K HN 0.171 nan 8.250 nan 0.000 0.446 321 T N 1.581 115.988 114.554 -0.246 0.000 2.812 321 T HA -0.040 4.310 4.350 -0.000 0.000 0.264 321 T C 1.898 176.313 174.700 -0.474 0.000 1.042 321 T CA 0.883 62.729 62.100 -0.424 0.000 1.140 321 T CB -0.133 68.407 68.868 -0.547 0.000 0.870 321 T HN 0.111 nan 8.240 nan 0.000 0.445 322 I N 1.105 121.487 120.570 -0.313 0.000 2.208 322 I HA -0.191 3.978 4.170 -0.000 0.000 0.245 322 I C 2.651 178.700 176.117 -0.114 0.000 1.097 322 I CA 1.414 62.590 61.300 -0.206 0.000 1.363 322 I CB -0.352 37.573 38.000 -0.124 0.000 1.051 322 I HN 0.343 nan 8.210 nan 0.000 0.413 323 E N 0.564 120.704 120.200 -0.100 0.000 2.031 323 E HA -0.291 4.059 4.350 -0.000 0.000 0.193 323 E C 2.098 178.678 176.600 -0.033 0.000 0.994 323 E CA 1.282 57.647 56.400 -0.060 0.000 0.800 323 E CB -0.069 29.598 29.700 -0.055 0.000 0.752 323 E HN 0.203 nan 8.360 nan 0.000 0.447 324 K N 0.428 120.813 120.400 -0.025 0.000 2.026 324 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 324 K C 1.940 178.618 176.600 0.129 0.000 1.048 324 K CA 1.397 57.712 56.287 0.045 0.000 0.929 324 K CB -0.430 32.114 32.500 0.073 0.000 0.713 324 K HN 0.095 nan 8.250 nan 0.000 0.439 325 Y N 0.272 120.504 120.300 -0.113 0.000 2.128 325 Y HA -0.159 4.391 4.550 -0.000 0.000 0.284 325 Y C 2.377 178.178 175.900 -0.165 0.000 1.154 325 Y CA 0.882 58.896 58.100 -0.143 0.000 1.149 325 Y CB -0.924 37.446 38.460 -0.150 0.000 0.976 325 Y HN -0.129 nan 8.280 nan 0.000 0.505 326 V N 0.190 120.121 119.914 0.028 0.000 2.343 326 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 326 V C 2.469 178.514 176.094 -0.082 0.000 1.051 326 V CA 2.161 64.429 62.300 -0.053 0.000 1.036 326 V CB -0.674 31.117 31.823 -0.054 0.000 0.654 326 V HN 0.420 nan 8.190 nan 0.000 0.451 327 Q N -0.001 119.760 119.800 -0.065 0.000 2.050 327 Q HA -0.268 4.071 4.340 -0.000 0.000 0.202 327 Q C 2.421 178.340 176.000 -0.136 0.000 0.980 327 Q CA 2.616 58.369 55.803 -0.083 0.000 0.840 327 Q CB -0.362 28.344 28.738 -0.053 0.000 0.898 327 Q HN 0.691 nan 8.270 nan 0.000 0.424 328 T N -0.358 114.095 114.554 -0.168 0.000 2.867 328 T HA -0.090 4.259 4.350 -0.000 0.000 0.268 328 T C 1.901 176.371 174.700 -0.384 0.000 1.057 328 T CA 1.143 63.039 62.100 -0.339 0.000 1.136 328 T CB -0.314 68.283 68.868 -0.452 0.000 0.874 328 T HN 0.366 nan 8.240 nan 0.000 0.466 329 I N 1.217 121.627 120.570 -0.268 0.000 2.361 329 I HA -0.022 4.148 4.170 -0.000 0.000 0.251 329 I C 2.858 178.862 176.117 -0.188 0.000 1.133 329 I CA 1.262 62.428 61.300 -0.225 0.000 1.413 329 I CB -0.641 37.254 38.000 -0.175 0.000 1.073 329 I HN 0.465 nan 8.210 nan 0.000 0.424 330 G N 0.612 109.304 108.800 -0.180 0.000 2.471 330 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.219 330 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.219 330 G C 1.589 176.392 174.900 -0.162 0.000 1.125 330 G CA 0.216 45.212 45.100 -0.174 0.000 0.775 330 G HN 0.354 nan 8.290 nan 0.000 0.548 331 K N -0.546 119.746 120.400 -0.181 0.000 2.487 331 K HA 0.163 4.483 4.320 -0.000 0.000 0.192 331 K C 0.215 176.752 176.600 -0.105 0.000 1.027 331 K CA -0.285 55.920 56.287 -0.137 0.000 1.054 331 K CB 0.145 32.550 32.500 -0.159 0.000 0.824 331 K HN 0.260 nan 8.250 nan 0.000 0.510 332 C N 0.089 119.314 119.300 -0.125 0.000 2.407 332 C HA 0.324 4.784 4.460 -0.000 0.000 0.366 332 C C 1.299 176.278 174.990 -0.019 0.000 1.213 332 C CA -0.778 58.206 59.018 -0.058 0.000 2.011 332 C CB 1.474 29.164 27.740 -0.083 0.000 2.306 332 C HN 0.308 nan 8.230 nan 0.000 0.527 333 K N -0.211 120.198 120.400 0.014 0.000 2.412 333 K HA 0.219 4.538 4.320 -0.000 0.000 0.202 333 K C -0.131 176.491 176.600 0.037 0.000 1.102 333 K CA 0.407 56.710 56.287 0.027 0.000 1.027 333 K CB 0.568 33.087 32.500 0.032 0.000 0.931 333 K HN 0.571 nan 8.250 nan 0.000 0.557 334 S N 0.258 115.983 115.700 0.041 0.000 2.547 334 S HA 0.710 5.179 4.470 -0.000 0.000 0.281 334 S C -1.586 173.048 174.600 0.057 0.000 1.118 334 S CA -0.837 57.398 58.200 0.059 0.000 0.947 334 S CB 2.106 65.346 63.200 0.068 0.000 1.053 334 S HN 0.186 nan 8.310 nan 0.000 0.482 335 A N 3.045 125.909 122.820 0.074 0.000 2.408 335 A HA 0.800 5.120 4.320 -0.000 0.000 0.295 335 A C -1.156 176.507 177.584 0.132 0.000 1.040 335 A CA -0.513 51.568 52.037 0.072 0.000 0.707 335 A CB 0.656 19.675 19.000 0.032 0.000 1.235 335 A HN 0.773 nan 8.150 nan 0.000 0.418 336 I N 2.290 122.953 120.570 0.155 0.000 2.410 336 I HA 0.372 4.542 4.170 -0.000 0.000 0.286 336 I C -1.108 175.168 176.117 0.266 0.000 1.009 336 I CA -0.303 61.125 61.300 0.215 0.000 1.111 336 I CB 1.562 39.691 38.000 0.214 0.000 1.262 336 I HN 0.789 nan 8.210 nan 0.000 0.443 337 W N 8.642 129.975 121.300 0.055 0.000 2.587 337 W HA 0.474 5.134 4.660 -0.000 0.000 0.324 337 W C -1.245 175.296 176.519 0.036 0.000 1.040 337 W CA -1.074 56.287 57.345 0.026 0.000 1.222 337 W CB 1.255 30.715 29.460 0.001 0.000 1.381 337 W HN 0.414 nan 8.180 nan 0.000 0.483 338 N N 4.430 123.123 118.700 -0.011 0.000 2.519 338 N HA 0.494 5.233 4.740 -0.000 0.000 0.291 338 N C -0.778 174.624 175.510 -0.181 0.000 1.107 338 N CA 0.175 53.072 53.050 -0.256 0.000 0.904 338 N CB 1.484 39.937 38.487 -0.056 0.000 1.500 338 N HN 0.911 nan 8.380 nan 0.000 0.510 339 G N 2.968 111.544 108.800 -0.373 0.000 3.355 339 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.686 339 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.686 339 G C -3.263 171.707 174.900 0.115 0.000 1.097 339 G CA -1.063 43.986 45.100 -0.085 0.000 0.881 339 G HN 0.402 nan 8.290 nan 0.000 0.550 340 P HA 0.166 nan 4.420 nan 0.000 0.267 340 P C 1.383 178.855 177.300 0.287 0.000 1.200 340 P CA -0.261 62.969 63.100 0.217 0.000 0.772 340 P CB 0.447 32.231 31.700 0.139 0.000 0.855 341 M N 0.693 120.453 119.600 0.267 0.000 2.562 341 M HA 0.162 4.642 4.480 -0.000 0.000 0.257 341 M C 1.053 177.447 176.300 0.158 0.000 1.099 341 M CA 0.917 56.327 55.300 0.184 0.000 1.099 341 M CB -1.082 31.577 32.600 0.099 0.000 1.427 341 M HN 0.501 nan 8.290 nan 0.000 0.489 342 G N -0.896 108.013 108.800 0.182 0.000 2.634 342 G HA2 0.391 4.351 3.960 -0.000 0.000 0.309 342 G HA3 0.391 4.351 3.960 -0.000 0.000 0.309 342 G C -1.248 173.786 174.900 0.223 0.000 1.299 342 G CA -0.683 44.526 45.100 0.181 0.000 0.798 342 G HN -0.148 nan 8.290 nan 0.000 0.490 343 V N 2.548 122.561 119.914 0.165 0.000 2.055 343 V HA 0.125 4.245 4.120 -0.000 0.000 0.248 343 V C 1.532 177.697 176.094 0.117 0.000 1.476 343 V CA 0.215 62.589 62.300 0.124 0.000 1.417 343 V CB -1.482 30.304 31.823 -0.063 0.000 1.465 343 V HN 0.631 nan 8.190 nan 0.000 0.502 344 F N 1.334 121.286 119.950 0.002 0.000 2.346 344 F HA -0.146 4.381 4.527 -0.000 0.000 0.301 344 F C 1.594 177.376 175.800 -0.030 0.000 1.070 344 F CA 1.221 59.161 58.000 -0.099 0.000 1.407 344 F CB -0.493 38.339 39.000 -0.280 0.000 1.072 344 F HN 0.372 nan 8.300 nan 0.000 0.543 345 E N 0.710 120.461 120.200 -0.749 0.000 2.265 345 E HA -0.048 4.301 4.350 -0.000 0.000 0.196 345 E C 0.480 176.953 176.600 -0.212 0.000 0.996 345 E CA 0.932 56.987 56.400 -0.574 0.000 0.832 345 E CB -0.191 29.234 29.700 -0.458 0.000 0.756 345 E HN 0.489 nan 8.360 nan 0.000 0.491 346 M N 0.036 119.552 119.600 -0.140 0.000 2.205 346 M HA 0.136 4.615 4.480 -0.000 0.000 0.344 346 M C 0.853 177.051 176.300 -0.170 0.000 1.085 346 M CA -0.460 54.750 55.300 -0.151 0.000 1.001 346 M CB 2.097 34.590 32.600 -0.178 0.000 1.626 346 M HN -0.172 nan 8.290 nan 0.000 0.442 347 V N 4.446 124.276 119.914 -0.141 0.000 2.278 347 V HA -0.217 3.903 4.120 -0.000 0.000 0.251 347 V C -0.599 175.399 176.094 -0.159 0.000 1.062 347 V CA 2.179 64.429 62.300 -0.083 0.000 1.038 347 V CB -1.645 30.137 31.823 -0.068 0.000 0.646 347 V HN 0.785 nan 8.190 nan 0.000 0.447 348 P HA -0.145 nan 4.420 nan 0.000 0.222 348 P C 0.581 177.688 177.300 -0.321 0.000 1.147 348 P CA 1.587 64.424 63.100 -0.438 0.000 0.790 348 P CB -0.113 31.181 31.700 -0.677 0.000 0.780 349 Y N -0.162 120.123 120.300 -0.024 0.000 2.681 349 Y HA 0.226 4.775 4.550 -0.000 0.000 0.267 349 Y C 1.970 177.876 175.900 0.010 0.000 1.166 349 Y CA -0.587 57.502 58.100 -0.019 0.000 1.209 349 Y CB -0.717 37.700 38.460 -0.071 0.000 1.161 349 Y HN 0.062 nan 8.280 nan 0.000 0.534 350 S N -1.831 113.927 115.700 0.097 0.000 2.502 350 S HA 0.058 4.528 4.470 -0.000 0.000 0.215 350 S C 1.606 176.236 174.600 0.049 0.000 1.009 350 S CA -0.253 57.982 58.200 0.060 0.000 0.908 350 S CB 0.141 63.414 63.200 0.122 0.000 0.801 350 S HN 0.238 nan 8.310 nan 0.000 0.505 351 K N 1.608 122.074 120.400 0.109 0.000 2.059 351 K HA -0.098 4.222 4.320 -0.000 0.000 0.212 351 K C 2.299 178.934 176.600 0.058 0.000 1.050 351 K CA 1.677 58.031 56.287 0.111 0.000 0.927 351 K CB -0.886 31.657 32.500 0.073 0.000 0.714 351 K HN 0.524 nan 8.250 nan 0.000 0.447 352 G N 0.537 109.349 108.800 0.020 0.000 2.446 352 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 352 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 352 G C 1.512 176.376 174.900 -0.059 0.000 1.168 352 G CA 1.477 46.561 45.100 -0.026 0.000 0.771 352 G HN 0.242 nan 8.290 nan 0.000 0.551 353 T N 1.192 115.705 114.554 -0.068 0.000 2.708 353 T HA -0.093 4.256 4.350 -0.000 0.000 0.266 353 T C 2.057 176.679 174.700 -0.129 0.000 1.037 353 T CA 1.202 63.236 62.100 -0.110 0.000 1.146 353 T CB -0.325 68.410 68.868 -0.222 0.000 0.865 353 T HN 0.172 nan 8.240 nan 0.000 0.435 354 F N 1.542 121.512 119.950 0.033 0.000 2.293 354 F HA 0.188 4.715 4.527 -0.000 0.000 0.300 354 F C 2.526 178.293 175.800 -0.056 0.000 1.086 354 F CA -0.099 57.905 58.000 0.007 0.000 1.375 354 F CB -1.153 37.867 39.000 0.033 0.000 1.045 354 F HN 0.140 nan 8.300 nan 0.000 0.516 355 A N 0.377 123.244 122.820 0.078 0.000 1.873 355 A HA -0.122 4.198 4.320 -0.000 0.000 0.215 355 A C 2.247 179.770 177.584 -0.102 0.000 1.186 355 A CA 1.374 53.407 52.037 -0.007 0.000 0.616 355 A CB -0.764 18.218 19.000 -0.029 0.000 0.823 355 A HN 0.184 nan 8.150 nan 0.000 0.442 356 I N 0.115 120.545 120.570 -0.234 0.000 2.226 356 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 356 I C 2.932 178.789 176.117 -0.432 0.000 1.100 356 I CA 1.408 62.441 61.300 -0.446 0.000 1.374 356 I CB -1.680 35.798 38.000 -0.870 0.000 1.057 356 I HN 0.361 nan 8.210 nan 0.000 0.413 357 A N 0.928 123.551 122.820 -0.328 0.000 1.877 357 A HA -0.270 4.050 4.320 -0.000 0.000 0.216 357 A C 2.460 180.047 177.584 0.005 0.000 1.186 357 A CA 2.126 54.149 52.037 -0.023 0.000 0.620 357 A CB -0.610 18.533 19.000 0.238 0.000 0.822 357 A HN 0.399 nan 8.150 nan 0.000 0.443 358 K N -0.284 120.118 120.400 0.004 0.000 2.032 358 K HA -0.095 4.225 4.320 -0.000 0.000 0.209 358 K C 2.108 178.695 176.600 -0.022 0.000 1.048 358 K CA 1.474 57.759 56.287 -0.002 0.000 0.927 358 K CB -0.381 32.120 32.500 0.001 0.000 0.712 358 K HN 0.346 nan 8.250 nan 0.000 0.441 359 A N 0.875 123.662 122.820 -0.055 0.000 1.902 359 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 359 A C 2.158 179.713 177.584 -0.049 0.000 1.181 359 A CA 1.795 53.794 52.037 -0.063 0.000 0.623 359 A CB -0.487 18.454 19.000 -0.099 0.000 0.818 359 A HN 0.381 nan 8.150 nan 0.000 0.443 360 M N -0.715 118.851 119.600 -0.057 0.000 2.132 360 M HA -0.076 4.404 4.480 -0.000 0.000 0.263 360 M C 2.316 178.632 176.300 0.027 0.000 1.065 360 M CA 1.390 56.682 55.300 -0.014 0.000 1.122 360 M CB -0.546 32.059 32.600 0.008 0.000 1.365 360 M HN 0.516 nan 8.290 nan 0.000 0.411 361 G N 0.002 108.819 108.800 0.028 0.000 2.414 361 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.215 361 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.215 361 G C 1.552 176.493 174.900 0.069 0.000 1.188 361 G CA 0.697 45.819 45.100 0.038 0.000 0.783 361 G HN 0.363 nan 8.290 nan 0.000 0.537 362 R N 0.348 120.883 120.500 0.058 0.000 2.103 362 R HA -0.072 4.268 4.340 -0.000 0.000 0.242 362 R C 2.705 179.089 176.300 0.140 0.000 1.142 362 R CA 1.842 58.006 56.100 0.107 0.000 0.960 362 R CB -0.802 29.533 30.300 0.059 0.000 0.858 362 R HN 0.323 nan 8.270 nan 0.000 0.439 363 G N -0.604 108.240 108.800 0.074 0.000 2.446 363 G HA2 -0.266 3.693 3.960 -0.000 0.000 0.217 363 G HA3 -0.266 3.693 3.960 -0.000 0.000 0.217 363 G C 1.328 176.299 174.900 0.118 0.000 1.168 363 G CA 1.354 46.494 45.100 0.067 0.000 0.771 363 G HN 0.380 nan 8.290 nan 0.000 0.551 364 T N -0.132 114.485 114.554 0.104 0.000 2.674 364 T HA -0.121 4.229 4.350 -0.000 0.000 0.265 364 T C 2.021 176.797 174.700 0.126 0.000 1.039 364 T CA 1.624 63.787 62.100 0.105 0.000 1.150 364 T CB -0.417 68.507 68.868 0.094 0.000 0.864 364 T HN 0.480 nan 8.240 nan 0.000 0.427 365 H N 1.612 120.708 119.070 0.043 0.000 2.251 365 H HA -0.083 4.472 4.556 -0.000 0.000 0.294 365 H C 2.333 177.679 175.328 0.029 0.000 1.078 365 H CA 1.976 58.042 56.048 0.030 0.000 1.246 365 H CB -0.151 29.625 29.762 0.024 0.000 1.358 365 H HN 0.164 nan 8.280 nan 0.000 0.488 366 E N -0.210 120.007 120.200 0.028 0.000 2.072 366 E HA -0.102 4.248 4.350 -0.000 0.000 0.190 366 E C 1.066 177.578 176.600 -0.146 0.000 0.982 366 E CA 1.241 57.606 56.400 -0.058 0.000 0.803 366 E CB -0.063 29.776 29.700 0.231 0.000 0.755 366 E HN 0.747 nan 8.360 nan 0.000 0.453 367 H N -1.153 117.897 119.070 -0.034 0.000 2.510 367 H HA 0.268 4.824 4.556 -0.000 0.000 0.266 367 H C 0.730 176.049 175.328 -0.015 0.000 1.146 367 H CA 0.189 56.221 56.048 -0.026 0.000 0.993 367 H CB 0.911 30.662 29.762 -0.018 0.000 1.727 367 H HN 0.249 nan 8.280 nan 0.000 0.590 368 G N 1.914 110.753 108.800 0.064 0.000 2.186 368 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.266 368 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.266 368 G C 0.453 175.391 174.900 0.063 0.000 0.982 368 G CA 0.567 45.696 45.100 0.048 0.000 0.670 368 G HN 0.419 nan 8.290 nan 0.000 0.533 369 L N 0.556 121.825 121.223 0.077 0.000 2.559 369 L HA 0.367 4.707 4.340 -0.000 0.000 0.282 369 L C 0.911 177.823 176.870 0.070 0.000 1.232 369 L CA 0.355 55.232 54.840 0.062 0.000 0.885 369 L CB 0.471 42.559 42.059 0.048 0.000 1.131 369 L HN 0.285 nan 8.230 nan 0.000 0.498 370 M N 5.673 125.316 119.600 0.071 0.000 2.201 370 M HA 0.216 4.696 4.480 -0.000 0.000 0.345 370 M C -0.380 175.984 176.300 0.108 0.000 1.352 370 M CA -0.132 55.227 55.300 0.099 0.000 1.218 370 M CB -0.073 32.582 32.600 0.091 0.000 1.512 370 M HN 0.901 nan 8.290 nan 0.000 0.447 371 S N 6.162 121.925 115.700 0.106 0.000 2.480 371 S HA 0.744 5.213 4.470 -0.000 0.000 0.286 371 S C -0.460 174.203 174.600 0.106 0.000 1.180 371 S CA -0.806 57.454 58.200 0.101 0.000 1.075 371 S CB 1.469 64.717 63.200 0.080 0.000 0.996 371 S HN 0.718 nan 8.310 nan 0.000 0.487 372 I N 2.912 123.562 120.570 0.133 0.000 2.569 372 I HA 0.499 4.669 4.170 -0.000 0.000 0.290 372 I C -0.788 175.423 176.117 0.156 0.000 1.088 372 I CA -0.753 60.621 61.300 0.124 0.000 1.047 372 I CB 1.827 39.934 38.000 0.179 0.000 1.237 372 I HN 0.585 nan 8.210 nan 0.000 0.421 373 I N 3.803 124.419 120.570 0.076 0.000 2.785 373 I HA 0.817 4.987 4.170 -0.000 0.000 0.302 373 I C 0.071 176.182 176.117 -0.011 0.000 1.069 373 I CA -0.559 60.760 61.300 0.031 0.000 1.045 373 I CB 2.445 40.426 38.000 -0.032 0.000 1.236 373 I HN 0.688 nan 8.210 nan 0.000 0.429 374 G N 1.573 110.326 108.800 -0.078 0.000 2.660 374 G HA2 0.669 4.629 3.960 -0.000 0.000 0.290 374 G HA3 0.669 4.629 3.960 -0.000 0.000 0.290 374 G C -0.817 174.006 174.900 -0.128 0.000 1.432 374 G CA -0.429 44.665 45.100 -0.010 0.000 0.807 374 G HN 1.094 nan 8.290 nan 0.000 0.485 375 G N -1.507 107.264 108.800 -0.049 0.000 3.338 375 G HA2 0.384 4.343 3.960 -0.000 0.000 0.686 375 G HA3 0.384 4.343 3.960 -0.000 0.000 0.686 375 G C 1.105 175.960 174.900 -0.074 0.000 1.053 375 G CA 0.414 45.469 45.100 -0.075 0.000 0.852 375 G HN 1.943 nan 8.290 nan 0.000 0.545 376 G N 0.779 109.579 108.800 0.001 0.000 2.574 376 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.220 376 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.220 376 G C 1.276 176.178 174.900 0.004 0.000 1.173 376 G CA 1.833 46.952 45.100 0.030 0.000 0.772 376 G HN 0.790 nan 8.290 nan 0.000 0.585 377 D N 0.112 120.514 120.400 0.004 0.000 2.234 377 D HA -0.005 4.635 4.640 -0.000 0.000 0.205 377 D C 2.722 178.891 176.300 -0.220 0.000 0.962 377 D CA 0.858 54.891 54.000 0.056 0.000 0.855 377 D CB 0.076 41.004 40.800 0.212 0.000 0.951 377 D HN 0.283 nan 8.370 nan 0.000 0.500 378 S N 0.857 116.347 115.700 -0.350 0.000 2.371 378 S HA -0.067 4.403 4.470 -0.000 0.000 0.224 378 S C 2.179 176.475 174.600 -0.508 0.000 1.029 378 S CA 0.896 58.701 58.200 -0.658 0.000 0.978 378 S CB 0.017 62.683 63.200 -0.889 0.000 0.833 378 S HN 0.312 nan 8.310 nan 0.000 0.466 379 A N 1.124 123.744 122.820 -0.333 0.000 2.015 379 A HA -0.014 4.306 4.320 -0.000 0.000 0.219 379 A C 2.268 179.721 177.584 -0.218 0.000 1.163 379 A CA 1.522 53.376 52.037 -0.305 0.000 0.646 379 A CB -0.700 18.111 19.000 -0.315 0.000 0.806 379 A HN 0.410 nan 8.150 nan 0.000 0.448 380 S N -0.129 115.496 115.700 -0.125 0.000 2.356 380 S HA -0.069 4.401 4.470 -0.000 0.000 0.223 380 S C 2.337 176.953 174.600 0.027 0.000 1.032 380 S CA 1.239 59.446 58.200 0.012 0.000 1.005 380 S CB -0.427 62.880 63.200 0.178 0.000 0.867 380 S HN 0.795 nan 8.310 nan 0.000 0.449 381 A N 1.458 124.164 122.820 -0.190 0.000 1.902 381 A HA 0.096 4.416 4.320 -0.000 0.000 0.217 381 A C 2.342 180.039 177.584 0.187 0.000 1.181 381 A CA 1.749 53.698 52.037 -0.147 0.000 0.623 381 A CB -1.074 17.500 19.000 -0.709 0.000 0.818 381 A HN 0.519 nan 8.150 nan 0.000 0.443 382 A N -0.310 122.529 122.820 0.032 0.000 1.933 382 A HA -0.162 4.157 4.320 -0.000 0.000 0.218 382 A C 1.949 179.542 177.584 0.014 0.000 1.175 382 A CA 1.624 53.699 52.037 0.064 0.000 0.628 382 A CB -0.470 18.511 19.000 -0.032 0.000 0.814 382 A HN 0.639 nan 8.150 nan 0.000 0.444 383 E N -0.780 119.400 120.200 -0.032 0.000 2.072 383 E HA -0.119 4.231 4.350 -0.000 0.000 0.190 383 E C 1.782 178.389 176.600 0.011 0.000 0.982 383 E CA 0.742 57.119 56.400 -0.039 0.000 0.803 383 E CB -0.201 29.463 29.700 -0.061 0.000 0.755 383 E HN 0.389 nan 8.360 nan 0.000 0.453 384 L N 1.025 122.299 121.223 0.085 0.000 2.127 384 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 384 L C 2.226 179.060 176.870 -0.059 0.000 1.089 384 L CA 1.842 56.737 54.840 0.092 0.000 0.757 384 L CB -0.489 41.750 42.059 0.300 0.000 0.899 384 L HN 0.072 nan 8.230 nan 0.000 0.434 385 S N -2.224 113.433 115.700 -0.072 0.000 2.557 385 S HA 0.340 4.810 4.470 -0.000 0.000 0.223 385 S C 1.414 175.946 174.600 -0.113 0.000 0.969 385 S CA 0.156 58.219 58.200 -0.229 0.000 0.927 385 S CB 0.064 63.088 63.200 -0.292 0.000 0.806 385 S HN 0.498 nan 8.310 nan 0.000 0.489 386 G N 1.597 110.357 108.800 -0.066 0.000 2.168 386 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.257 386 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.257 386 G C 0.635 175.502 174.900 -0.054 0.000 0.997 386 G CA 0.566 45.629 45.100 -0.062 0.000 0.708 386 G HN 0.527 nan 8.290 nan 0.000 0.520 387 E N -0.575 119.608 120.200 -0.028 0.000 2.364 387 E HA 0.253 4.603 4.350 -0.000 0.000 0.196 387 E C 2.714 179.300 176.600 -0.023 0.000 0.990 387 E CA 0.788 57.180 56.400 -0.014 0.000 0.886 387 E CB -0.319 29.403 29.700 0.037 0.000 0.866 387 E HN 0.694 nan 8.360 nan 0.000 0.493 388 A N 2.798 125.587 122.820 -0.051 0.000 1.917 388 A HA -0.288 4.032 4.320 -0.000 0.000 0.219 388 A C 2.132 179.658 177.584 -0.097 0.000 1.182 388 A CA 2.379 54.351 52.037 -0.108 0.000 0.633 388 A CB -0.567 18.314 19.000 -0.197 0.000 0.819 388 A HN 0.311 nan 8.150 nan 0.000 0.448 389 K N -0.797 119.558 120.400 -0.075 0.000 2.283 389 K HA -0.077 4.243 4.320 -0.000 0.000 0.202 389 K C 1.732 178.308 176.600 -0.039 0.000 1.048 389 K CA 1.216 57.470 56.287 -0.055 0.000 0.948 389 K CB -0.183 32.289 32.500 -0.046 0.000 0.742 389 K HN 0.393 nan 8.250 nan 0.000 0.458 390 R N 0.068 120.545 120.500 -0.038 0.000 2.240 390 R HA 0.158 4.497 4.340 -0.000 0.000 0.203 390 R C 0.349 176.655 176.300 0.010 0.000 1.011 390 R CA 0.166 56.256 56.100 -0.016 0.000 1.007 390 R CB -0.111 30.169 30.300 -0.034 0.000 0.911 390 R HN 0.231 nan 8.270 nan 0.000 0.468 391 M N 0.624 120.219 119.600 -0.009 0.000 2.243 391 M HA 0.058 4.538 4.480 -0.000 0.000 0.341 391 M C 1.535 177.827 176.300 -0.013 0.000 1.130 391 M CA 0.308 55.607 55.300 -0.003 0.000 1.162 391 M CB 0.916 33.499 32.600 -0.030 0.000 1.497 391 M HN -0.116 nan 8.290 nan 0.000 0.456 392 S N 0.787 116.497 115.700 0.017 0.000 2.359 392 S HA -0.138 4.331 4.470 -0.000 0.000 0.224 392 S C 0.444 174.981 174.600 -0.105 0.000 1.035 392 S CA 1.551 59.772 58.200 0.034 0.000 1.018 392 S CB -0.206 63.082 63.200 0.145 0.000 0.876 392 S HN 0.796 nan 8.310 nan 0.000 0.448 393 H N -1.006 117.848 119.070 -0.359 0.000 3.128 393 H HA 0.500 5.056 4.556 -0.000 0.000 0.336 393 H C -1.427 173.689 175.328 -0.353 0.000 1.026 393 H CA -0.564 55.133 56.048 -0.585 0.000 1.376 393 H CB 1.229 30.080 29.762 -1.517 0.000 1.882 393 H HN -0.006 nan 8.280 nan 0.000 0.479 394 V N 5.174 124.665 119.914 -0.706 0.000 2.350 394 V HA 0.521 4.641 4.120 -0.000 0.000 0.276 394 V C -0.317 175.414 176.094 -0.605 0.000 1.028 394 V CA 0.069 62.075 62.300 -0.490 0.000 0.860 394 V CB 0.987 32.593 31.823 -0.360 0.000 0.990 394 V HN 0.841 nan 8.190 nan 0.000 0.453 395 S N 3.852 119.363 115.700 -0.316 0.000 2.646 395 S HA 0.360 4.830 4.470 -0.000 0.000 0.276 395 S C 1.261 175.984 174.600 0.207 0.000 1.222 395 S CA 0.141 58.361 58.200 0.034 0.000 1.014 395 S CB 1.538 65.067 63.200 0.549 0.000 0.991 395 S HN 1.065 nan 8.310 nan 0.000 0.533 396 T N 0.518 115.226 114.554 0.258 0.000 3.129 396 T HA 0.305 4.655 4.350 -0.000 0.000 0.251 396 T C 0.739 175.598 174.700 0.264 0.000 1.117 396 T CA 0.011 62.257 62.100 0.243 0.000 1.034 396 T CB -0.316 68.644 68.868 0.153 0.000 0.968 396 T HN 0.619 nan 8.240 nan 0.000 0.526 397 G N -0.319 108.684 108.800 0.339 0.000 2.348 397 G HA2 0.563 4.522 3.960 -0.000 0.000 0.312 397 G HA3 0.563 4.522 3.960 -0.000 0.000 0.312 397 G C 0.633 175.601 174.900 0.112 0.000 1.126 397 G CA -0.360 44.883 45.100 0.238 0.000 0.865 397 G HN 0.269 nan 8.290 nan 0.000 0.474 398 G N 1.536 110.358 108.800 0.037 0.000 2.558 398 G HA2 0.286 4.246 3.960 -0.000 0.000 0.218 398 G HA3 0.286 4.246 3.960 -0.000 0.000 0.218 398 G C 1.472 176.345 174.900 -0.046 0.000 1.567 398 G CA 0.711 45.811 45.100 -0.000 0.000 0.950 398 G HN 0.962 nan 8.290 nan 0.000 0.517 399 G N 0.341 109.090 108.800 -0.085 0.000 3.026 399 G HA2 0.333 4.293 3.960 -0.000 0.000 0.208 399 G HA3 0.333 4.293 3.960 -0.000 0.000 0.208 399 G C 1.399 176.101 174.900 -0.329 0.000 1.169 399 G CA 1.112 46.133 45.100 -0.132 0.000 0.788 399 G HN 0.679 nan 8.290 nan 0.000 0.533 400 A N 0.274 122.834 122.820 -0.433 0.000 2.169 400 A HA 0.251 4.571 4.320 -0.000 0.000 0.212 400 A C 2.396 179.714 177.584 -0.444 0.000 1.153 400 A CA 1.450 53.083 52.037 -0.672 0.000 0.756 400 A CB -0.002 18.590 19.000 -0.679 0.000 0.813 400 A HN 0.269 nan 8.150 nan 0.000 0.471 401 S N -0.109 115.445 115.700 -0.243 0.000 2.421 401 S HA 0.105 4.574 4.470 -0.000 0.000 0.224 401 S C 1.732 176.283 174.600 -0.082 0.000 1.035 401 S CA 0.643 58.745 58.200 -0.163 0.000 0.953 401 S CB -0.281 62.967 63.200 0.079 0.000 0.810 401 S HN 0.506 nan 8.310 nan 0.000 0.497 402 L N 1.467 122.647 121.223 -0.071 0.000 1.982 402 L HA -0.022 4.318 4.340 -0.000 0.000 0.206 402 L C 2.748 179.596 176.870 -0.038 0.000 1.078 402 L CA 1.559 56.386 54.840 -0.022 0.000 0.749 402 L CB -0.761 41.296 42.059 -0.004 0.000 0.894 402 L HN 0.313 nan 8.230 nan 0.000 0.436 403 E N 0.539 120.692 120.200 -0.078 0.000 2.171 403 E HA -0.283 4.067 4.350 -0.000 0.000 0.197 403 E C 2.171 178.746 176.600 -0.042 0.000 0.997 403 E CA 1.141 57.519 56.400 -0.036 0.000 0.810 403 E CB -0.051 29.651 29.700 0.004 0.000 0.738 403 E HN 0.268 nan 8.360 nan 0.000 0.467 404 L N 0.579 121.735 121.223 -0.111 0.000 2.079 404 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 404 L C 1.875 178.731 176.870 -0.022 0.000 1.081 404 L CA 1.443 56.225 54.840 -0.095 0.000 0.752 404 L CB -0.618 41.322 42.059 -0.197 0.000 0.896 404 L HN 0.207 nan 8.230 nan 0.000 0.433 405 L N 0.224 121.445 121.223 -0.003 0.000 2.089 405 L HA -0.241 4.099 4.340 -0.000 0.000 0.213 405 L C 2.339 179.230 176.870 0.034 0.000 1.079 405 L CA 1.595 56.456 54.840 0.034 0.000 0.758 405 L CB -1.500 40.586 42.059 0.046 0.000 0.891 405 L HN 0.509 nan 8.230 nan 0.000 0.433 406 E N -0.012 120.205 120.200 0.028 0.000 2.381 406 E HA -0.021 4.329 4.350 -0.000 0.000 0.198 406 E C 1.302 177.919 176.600 0.027 0.000 1.204 406 E CA 0.422 56.840 56.400 0.030 0.000 0.998 406 E CB -0.605 29.115 29.700 0.033 0.000 1.080 406 E HN 0.543 nan 8.360 nan 0.000 0.481 407 G N 2.294 111.112 108.800 0.029 0.000 2.291 407 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.287 407 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.287 407 G C 0.067 174.983 174.900 0.026 0.000 0.998 407 G CA 1.193 46.312 45.100 0.031 0.000 0.728 407 G HN 0.351 nan 8.290 nan 0.000 0.519 408 K N 1.491 121.904 120.400 0.021 0.000 2.416 408 K HA 0.451 4.771 4.320 -0.000 0.000 0.283 408 K C 0.709 177.319 176.600 0.017 0.000 1.037 408 K CA 0.181 56.479 56.287 0.018 0.000 0.995 408 K CB -0.300 32.211 32.500 0.018 0.000 0.938 408 K HN 0.355 nan 8.250 nan 0.000 0.475 409 T N 1.710 116.274 114.554 0.017 0.000 2.866 409 T HA 0.060 4.410 4.350 -0.000 0.000 0.293 409 T C 0.361 175.068 174.700 0.012 0.000 1.005 409 T CA -0.587 61.524 62.100 0.019 0.000 1.162 409 T CB -0.121 68.756 68.868 0.016 0.000 0.968 409 T HN 0.453 nan 8.240 nan 0.000 0.530 410 L N 6.438 127.670 121.223 0.015 0.000 2.385 410 L HA 0.195 4.534 4.340 -0.000 0.000 0.281 410 L C -0.731 176.140 176.870 0.003 0.000 1.106 410 L CA -1.949 52.891 54.840 -0.000 0.000 0.856 410 L CB 0.499 42.548 42.059 -0.015 0.000 1.186 410 L HN 0.501 nan 8.230 nan 0.000 0.453 411 P HA -0.188 nan 4.420 nan 0.000 0.216 411 P C 1.430 178.727 177.300 -0.004 0.000 1.153 411 P CA 1.596 64.686 63.100 -0.017 0.000 0.858 411 P CB 0.243 31.919 31.700 -0.041 0.000 0.789 412 G N 0.055 108.853 108.800 -0.003 0.000 2.422 412 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.218 412 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.218 412 G C 1.715 176.655 174.900 0.066 0.000 1.146 412 G CA 0.754 45.874 45.100 0.033 0.000 0.769 412 G HN 0.199 nan 8.290 nan 0.000 0.547 413 V N 0.945 120.894 119.914 0.059 0.000 2.283 413 V HA -0.140 3.980 4.120 -0.000 0.000 0.243 413 V C 3.127 179.260 176.094 0.066 0.000 1.039 413 V CA 2.261 64.611 62.300 0.083 0.000 1.016 413 V CB -1.062 30.819 31.823 0.095 0.000 0.650 413 V HN 0.377 nan 8.190 nan 0.000 0.449 414 T N -0.070 114.511 114.554 0.045 0.000 2.699 414 T HA -0.226 4.124 4.350 -0.000 0.000 0.268 414 T C 1.915 176.631 174.700 0.028 0.000 1.036 414 T CA 1.732 63.852 62.100 0.033 0.000 1.147 414 T CB -0.461 68.418 68.868 0.018 0.000 0.862 414 T HN 0.269 nan 8.240 nan 0.000 0.446 415 V N 1.095 121.023 119.914 0.023 0.000 2.867 415 V HA 0.053 4.173 4.120 -0.000 0.000 0.260 415 V C 0.841 176.955 176.094 0.032 0.000 1.099 415 V CA 0.842 63.148 62.300 0.010 0.000 1.122 415 V CB -0.697 31.117 31.823 -0.014 0.000 0.708 415 V HN 0.390 nan 8.190 nan 0.000 0.490 416 L N 1.042 122.303 121.223 0.065 0.000 2.426 416 L HA 0.228 4.568 4.340 -0.000 0.000 0.271 416 L C 0.100 177.003 176.870 0.056 0.000 1.169 416 L CA -0.477 54.413 54.840 0.083 0.000 0.836 416 L CB -0.030 42.087 42.059 0.097 0.000 1.112 416 L HN 0.134 nan 8.230 nan 0.000 0.465 417 D N 2.449 122.882 120.400 0.055 0.000 2.368 417 D HA -0.008 4.632 4.640 -0.000 0.000 0.268 417 D C -0.014 176.310 176.300 0.039 0.000 1.298 417 D CA 0.057 54.081 54.000 0.039 0.000 0.938 417 D CB 0.268 41.090 40.800 0.038 0.000 1.101 417 D HN 0.393 nan 8.370 nan 0.000 0.509 418 D N 1.868 122.288 120.400 0.034 0.000 2.455 418 D HA 0.101 4.741 4.640 -0.000 0.000 0.234 418 D C 0.012 176.330 176.300 0.030 0.000 1.224 418 D CA -0.337 53.684 54.000 0.035 0.000 0.999 418 D CB 0.349 41.169 40.800 0.033 0.000 1.072 418 D HN -0.018 nan 8.370 nan 0.000 0.514 419 K N 0.000 120.419 120.400 0.032 0.000 2.780 419 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 419 K CA 0.000 56.304 56.287 0.028 0.000 0.838 419 K CB 0.000 32.516 32.500 0.026 0.000 1.064 419 K HN 0.000 nan 8.250 nan 0.000 0.543