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 2cd8_1_B DATA FIRST_RESID 14 DATA SEQUENCE VLDLGALGQD FAADPYPTYA RLRAEGPAHR VRTPEGDEVW LVVGYDRARA DATA SEQUENCE VLADPRFSKD WRNSTTPLTE AEAALNHNML ESDPPRHTRL RKLVAREFTM DATA SEQUENCE RRVELLRPRV QEIVDGLVDA MLAAPDGRAD LMESLAWPLP ITVISELLGV DATA SEQUENCE PEPDRAAFRV WTDAFVFPDD PAQAQTAMAE MSGYLSRLID SKRGQDGEDL DATA SEQUENCE LSALVRTSDE DGSRLTSEEL LGMAHILLVA GHETTVNLIA NGMYALLSHP DATA SEQUENCE DQLAALRADM TLLDGAVEEM LRYEGPVESA TYRFPVEPVD LDGTVIPAGD DATA SEQUENCE TVLVVLADAH RTPERFPDPH RFDIRRDTAG HLAFGHGIHF CIGAPLARLE DATA SEQUENCE ARIAVRALLE RCPDLALDVS PGELVWYPNP MIRGLKALPI RWR 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 14 V HA 0.000 nan 4.120 nan 0.000 0.244 14 V C 0.000 176.013 176.094 -0.136 0.000 1.182 14 V CA 0.000 62.214 62.300 -0.144 0.000 1.235 14 V CB 0.000 31.750 31.823 -0.121 0.000 1.184 15 L N 3.346 124.475 121.223 -0.157 0.000 2.313 15 L HA 0.574 4.932 4.340 0.030 0.000 0.282 15 L C 0.299 177.058 176.870 -0.185 0.000 1.092 15 L CA 0.660 55.398 54.840 -0.170 0.000 0.831 15 L CB 0.938 42.880 42.059 -0.195 0.000 1.159 15 L HN 0.670 nan 8.230 nan 0.000 0.442 16 D N 4.832 125.130 120.400 -0.170 0.000 2.365 16 D HA 0.088 4.746 4.640 0.030 0.000 0.237 16 D C 1.124 177.282 176.300 -0.237 0.000 1.190 16 D CA 0.008 53.908 54.000 -0.166 0.000 0.867 16 D CB 0.794 41.523 40.800 -0.118 0.000 1.050 16 D HN 0.614 nan 8.370 nan 0.000 0.491 17 L N 3.085 124.128 121.223 -0.301 0.000 2.017 17 L HA -0.038 4.320 4.340 0.030 0.000 0.208 17 L C 2.558 179.224 176.870 -0.340 0.000 1.073 17 L CA 1.292 55.826 54.840 -0.509 0.000 0.745 17 L CB -0.425 41.326 42.059 -0.513 0.000 0.894 17 L HN 0.449 nan 8.230 nan 0.000 0.432 18 G N -0.266 108.435 108.800 -0.165 0.000 2.422 18 G HA2 -0.240 3.738 3.960 0.030 0.000 0.218 18 G HA3 -0.240 3.738 3.960 0.030 0.000 0.218 18 G C 1.776 176.637 174.900 -0.065 0.000 1.146 18 G CA 0.792 45.851 45.100 -0.067 0.000 0.769 18 G HN 0.463 nan 8.290 nan 0.000 0.547 19 A N 0.612 123.377 122.820 -0.092 0.000 2.024 19 A HA 0.082 4.420 4.320 0.030 0.000 0.220 19 A C 2.283 179.824 177.584 -0.072 0.000 1.164 19 A CA 1.083 53.076 52.037 -0.074 0.000 0.643 19 A CB -0.322 18.627 19.000 -0.084 0.000 0.806 19 A HN 0.382 nan 8.150 nan 0.000 0.451 20 L N -0.983 120.173 121.223 -0.113 0.000 2.551 20 L HA 0.134 4.492 4.340 0.030 0.000 0.228 20 L C 1.687 178.564 176.870 0.012 0.000 1.153 20 L CA 0.241 55.036 54.840 -0.075 0.000 0.851 20 L CB -1.226 40.736 42.059 -0.162 0.000 0.959 20 L HN 0.635 nan 8.230 nan 0.000 0.451 21 G N 0.423 109.233 108.800 0.016 0.000 2.598 21 G HA2 -0.459 3.519 3.960 0.030 0.000 0.269 21 G HA3 -0.459 3.519 3.960 0.030 0.000 0.269 21 G C 0.443 175.397 174.900 0.090 0.000 1.289 21 G CA 0.623 45.752 45.100 0.047 0.000 0.926 21 G HN 0.271 nan 8.290 nan 0.000 0.567 22 Q N -0.368 119.469 119.800 0.061 0.000 2.364 22 Q HA 0.036 4.394 4.340 0.030 0.000 0.207 22 Q C 1.975 177.992 176.000 0.030 0.000 0.970 22 Q CA 2.617 58.453 55.803 0.056 0.000 0.888 22 Q CB -0.379 28.383 28.738 0.041 0.000 0.951 22 Q HN 0.645 nan 8.270 nan 0.000 0.469 23 D N -0.981 119.436 120.400 0.028 0.000 2.103 23 D HA -0.106 4.552 4.640 0.030 0.000 0.199 23 D C 1.235 177.507 176.300 -0.046 0.000 0.978 23 D CA 1.185 55.180 54.000 -0.007 0.000 0.829 23 D CB -0.315 40.488 40.800 0.005 0.000 0.981 23 D HN 0.332 nan 8.370 nan 0.000 0.464 24 F N 1.725 121.599 119.950 -0.126 0.000 2.046 24 F HA -0.209 4.322 4.527 0.008 0.000 0.297 24 F C 2.169 177.842 175.800 -0.213 0.000 1.123 24 F CA 1.823 59.712 58.000 -0.186 0.000 1.199 24 F CB -0.667 38.225 39.000 -0.181 0.000 0.972 24 F HN -0.038 nan 8.300 nan 0.000 0.474 25 A N 0.835 123.545 122.820 -0.184 0.000 1.896 25 A HA -0.255 4.083 4.320 0.030 0.000 0.220 25 A C 2.463 179.762 177.584 -0.475 0.000 1.206 25 A CA 2.848 54.732 52.037 -0.255 0.000 0.647 25 A CB -1.799 17.226 19.000 0.041 0.000 0.828 25 A HN 0.675 nan 8.150 nan 0.000 0.455 26 A N -1.437 121.152 122.820 -0.386 0.000 1.873 26 A HA 0.031 4.369 4.320 0.030 0.000 0.215 26 A C 1.109 178.249 177.584 -0.740 0.000 1.186 26 A CA 1.873 53.540 52.037 -0.616 0.000 0.616 26 A CB -0.216 18.675 19.000 -0.182 0.000 0.823 26 A HN 0.492 nan 8.150 nan 0.000 0.442 27 D N -2.262 117.825 120.400 -0.521 0.000 2.429 27 D HA 0.274 4.932 4.640 0.030 0.000 0.255 27 D C -2.042 173.953 176.300 -0.508 0.000 1.257 27 D CA -1.380 52.354 54.000 -0.443 0.000 0.890 27 D CB 1.336 42.024 40.800 -0.188 0.000 1.267 27 D HN 0.058 nan 8.370 nan 0.000 0.521 28 P HA -0.118 nan 4.420 nan 0.000 0.227 28 P C 1.153 178.192 177.300 -0.435 0.000 1.161 28 P CA 0.513 62.992 63.100 -1.035 0.000 0.788 28 P CB 0.190 30.962 31.700 -1.546 0.000 0.822 29 Y N 1.185 121.466 120.300 -0.032 0.000 2.132 29 Y HA -0.189 4.386 4.550 0.040 0.000 0.280 29 Y C -0.141 175.832 175.900 0.123 0.000 1.193 29 Y CA 1.567 59.761 58.100 0.158 0.000 1.157 29 Y CB -2.638 35.890 38.460 0.115 0.000 0.966 29 Y HN 0.193 nan 8.280 nan 0.000 0.511 30 P HA -0.107 nan 4.420 nan 0.000 0.217 30 P C 1.452 178.790 177.300 0.063 0.000 1.150 30 P CA 1.980 65.131 63.100 0.084 0.000 0.832 30 P CB -0.007 31.704 31.700 0.019 0.000 0.787 31 T N -1.855 112.702 114.554 0.007 0.000 2.812 31 T HA -0.112 4.256 4.350 0.030 0.000 0.264 31 T C 1.518 176.223 174.700 0.009 0.000 1.042 31 T CA 1.185 63.265 62.100 -0.034 0.000 1.140 31 T CB -0.973 67.855 68.868 -0.068 0.000 0.870 31 T HN 0.129 nan 8.240 nan 0.000 0.445 32 Y N 1.530 121.917 120.300 0.145 0.000 2.089 32 Y HA -0.125 4.448 4.550 0.037 0.000 0.282 32 Y C 2.917 178.898 175.900 0.134 0.000 1.139 32 Y CA 0.715 58.902 58.100 0.145 0.000 1.123 32 Y CB -0.517 38.040 38.460 0.161 0.000 0.980 32 Y HN 0.174 nan 8.280 nan 0.000 0.493 33 A N 0.430 123.442 122.820 0.320 0.000 1.948 33 A HA -0.282 4.057 4.320 0.030 0.000 0.220 33 A C 2.151 179.832 177.584 0.162 0.000 1.177 33 A CA 1.985 54.160 52.037 0.229 0.000 0.636 33 A CB -0.758 18.372 19.000 0.218 0.000 0.815 33 A HN 0.434 nan 8.150 nan 0.000 0.449 34 R N -0.858 119.712 120.500 0.117 0.000 2.117 34 R HA -0.138 4.220 4.340 0.030 0.000 0.243 34 R C 2.042 178.364 176.300 0.037 0.000 1.143 34 R CA 1.672 57.804 56.100 0.054 0.000 0.968 34 R CB -0.471 29.832 30.300 0.006 0.000 0.863 34 R HN 0.595 nan 8.270 nan 0.000 0.444 35 L N -0.319 120.936 121.223 0.052 0.000 1.973 35 L HA -0.141 4.217 4.340 0.030 0.000 0.208 35 L C 2.715 179.772 176.870 0.312 0.000 1.073 35 L CA 1.190 56.046 54.840 0.026 0.000 0.746 35 L CB -0.655 41.484 42.059 0.133 0.000 0.891 35 L HN 0.147 nan 8.230 nan 0.000 0.433 36 R N 0.614 121.283 120.500 0.281 0.000 2.174 36 R HA -0.279 4.080 4.340 0.030 0.000 0.253 36 R C 2.044 178.455 176.300 0.185 0.000 1.165 36 R CA 1.789 58.025 56.100 0.227 0.000 0.984 36 R CB -0.282 30.129 30.300 0.185 0.000 0.873 36 R HN 0.444 nan 8.270 nan 0.000 0.456 37 A N 0.769 123.687 122.820 0.162 0.000 1.872 37 A HA -0.132 4.206 4.320 0.030 0.000 0.214 37 A C 1.907 179.569 177.584 0.130 0.000 1.187 37 A CA 1.377 53.489 52.037 0.124 0.000 0.614 37 A CB -0.275 18.783 19.000 0.097 0.000 0.826 37 A HN 0.521 nan 8.150 nan 0.000 0.442 38 E N -0.884 119.412 120.200 0.161 0.000 2.072 38 E HA 0.228 4.596 4.350 0.030 0.000 0.190 38 E C 1.005 177.743 176.600 0.229 0.000 0.982 38 E CA 0.552 57.059 56.400 0.177 0.000 0.803 38 E CB -0.022 29.770 29.700 0.154 0.000 0.755 38 E HN 0.550 nan 8.360 nan 0.000 0.453 39 G N -0.258 108.732 108.800 0.317 0.000 2.608 39 G HA2 0.215 4.193 3.960 0.030 0.000 0.291 39 G HA3 0.215 4.193 3.960 0.030 0.000 0.291 39 G C -2.640 172.245 174.900 -0.025 0.000 1.425 39 G CA -0.824 44.331 45.100 0.092 0.000 0.787 39 G HN -0.240 nan 8.290 nan 0.000 0.484 40 P HA 0.306 nan 4.420 nan 0.000 0.252 40 P C 0.268 177.494 177.300 -0.124 0.000 1.218 40 P CA 0.580 63.642 63.100 -0.064 0.000 0.807 40 P CB 1.190 32.871 31.700 -0.031 0.000 1.072 41 A N 0.588 123.258 122.820 -0.250 0.000 2.381 41 A HA 0.679 5.017 4.320 0.030 0.000 0.299 41 A C -1.025 176.471 177.584 -0.148 0.000 1.049 41 A CA -0.448 51.562 52.037 -0.045 0.000 0.715 41 A CB 0.964 20.007 19.000 0.072 0.000 1.222 41 A HN 0.041 nan 8.150 nan 0.000 0.428 42 H N 1.357 120.636 119.070 0.347 0.000 2.806 42 H HA 0.374 4.949 4.556 0.031 0.000 0.367 42 H C -0.595 174.537 175.328 -0.327 0.000 1.136 42 H CA -0.572 55.503 56.048 0.045 0.000 1.178 42 H CB 1.682 31.459 29.762 0.024 0.000 1.718 42 H HN 0.715 nan 8.280 nan 0.000 0.540 43 R N 1.506 121.647 120.500 -0.598 0.000 2.298 43 R HA 0.381 4.739 4.340 0.030 0.000 0.310 43 R C 0.252 176.319 176.300 -0.389 0.000 1.068 43 R CA -0.496 55.080 56.100 -0.872 0.000 0.957 43 R CB 0.852 30.631 30.300 -0.869 0.000 1.003 43 R HN 0.384 nan 8.270 nan 0.000 0.454 44 V N 0.292 120.018 119.914 -0.314 0.000 3.158 44 V HA 0.700 4.839 4.120 0.030 0.000 0.315 44 V C -0.758 175.236 176.094 -0.167 0.000 1.148 44 V CA -1.269 60.915 62.300 -0.194 0.000 1.042 44 V CB 2.141 33.888 31.823 -0.127 0.000 1.101 44 V HN 0.640 nan 8.190 nan 0.000 0.448 45 R N 1.866 122.280 120.500 -0.142 0.000 2.371 45 R HA 0.542 4.900 4.340 0.030 0.000 0.312 45 R C 0.046 176.293 176.300 -0.087 0.000 0.980 45 R CA 0.445 56.483 56.100 -0.104 0.000 0.867 45 R CB 0.543 30.782 30.300 -0.102 0.000 1.163 45 R HN 1.236 nan 8.270 nan 0.000 0.492 46 T N 1.951 116.482 114.554 -0.039 0.000 2.903 46 T HA 0.153 4.521 4.350 0.030 0.000 0.314 46 T C -1.608 173.091 174.700 -0.003 0.000 1.078 46 T CA -1.086 61.012 62.100 -0.003 0.000 1.114 46 T CB 0.909 69.811 68.868 0.058 0.000 0.987 46 T HN 0.386 nan 8.240 nan 0.000 0.548 47 P HA -0.047 nan 4.420 nan 0.000 0.219 47 P C 1.120 178.443 177.300 0.037 0.000 1.146 47 P CA 0.873 63.985 63.100 0.021 0.000 0.808 47 P CB 0.074 31.808 31.700 0.057 0.000 0.779 48 E N -1.061 119.172 120.200 0.055 0.000 2.502 48 E HA 0.048 4.416 4.350 0.030 0.000 0.194 48 E C 1.042 177.672 176.600 0.051 0.000 1.062 48 E CA 0.570 57.007 56.400 0.062 0.000 0.867 48 E CB -0.530 29.222 29.700 0.087 0.000 0.888 48 E HN 0.152 nan 8.360 nan 0.000 0.510 49 G N 1.179 110.000 108.800 0.034 0.000 2.176 49 G HA2 -0.190 3.788 3.960 0.030 0.000 0.232 49 G HA3 -0.190 3.788 3.960 0.030 0.000 0.232 49 G C -0.331 174.587 174.900 0.030 0.000 0.986 49 G CA 0.122 45.237 45.100 0.024 0.000 0.643 49 G HN 0.300 nan 8.290 nan 0.000 0.522 50 D N 1.825 122.255 120.400 0.051 0.000 2.350 50 D HA 0.533 5.191 4.640 0.030 0.000 0.249 50 D C 0.679 176.994 176.300 0.024 0.000 1.119 50 D CA 0.867 54.906 54.000 0.065 0.000 0.886 50 D CB 1.051 41.926 40.800 0.126 0.000 1.195 50 D HN 0.745 nan 8.370 nan 0.000 0.437 51 E N 0.809 121.018 120.200 0.015 0.000 2.229 51 E HA 0.551 4.919 4.350 0.030 0.000 0.283 51 E C 0.073 176.653 176.600 -0.034 0.000 1.030 51 E CA -0.732 55.647 56.400 -0.035 0.000 0.836 51 E CB 0.953 30.634 29.700 -0.032 0.000 1.068 51 E HN 0.409 nan 8.360 nan 0.000 0.401 52 V N -1.916 117.941 119.914 -0.094 0.000 3.181 52 V HA 0.872 5.010 4.120 0.030 0.000 0.307 52 V C -1.501 174.519 176.094 -0.123 0.000 1.310 52 V CA -1.453 60.813 62.300 -0.056 0.000 1.067 52 V CB 1.402 33.179 31.823 -0.078 0.000 1.081 52 V HN 0.765 nan 8.190 nan 0.000 0.453 53 W N 0.647 121.913 121.300 -0.056 0.000 2.587 53 W HA 0.829 5.511 4.660 0.037 0.000 0.324 53 W C -0.665 175.840 176.519 -0.024 0.000 1.040 53 W CA -0.484 56.848 57.345 -0.022 0.000 1.222 53 W CB 1.822 31.271 29.460 -0.017 0.000 1.381 53 W HN 0.542 nan 8.180 nan 0.000 0.483 54 L N 4.212 125.571 121.223 0.227 0.000 2.282 54 L HA 0.576 4.934 4.340 0.030 0.000 0.288 54 L C -0.382 176.591 176.870 0.172 0.000 1.033 54 L CA -1.175 53.771 54.840 0.178 0.000 0.807 54 L CB 1.039 43.227 42.059 0.214 0.000 1.209 54 L HN 0.024 nan 8.230 nan 0.000 0.423 55 V N 4.473 124.429 119.914 0.070 0.000 2.370 55 V HA 0.396 4.534 4.120 0.030 0.000 0.283 55 V C 0.153 176.247 176.094 -0.001 0.000 1.023 55 V CA -0.573 61.732 62.300 0.009 0.000 0.857 55 V CB 1.952 33.718 31.823 -0.094 0.000 0.985 55 V HN 0.553 nan 8.190 nan 0.000 0.443 56 V N 1.930 121.869 119.914 0.041 0.000 2.994 56 V HA 1.106 5.245 4.120 0.030 0.000 0.318 56 V C 0.231 176.356 176.094 0.052 0.000 1.085 56 V CA -0.338 61.997 62.300 0.058 0.000 0.998 56 V CB 1.245 33.167 31.823 0.166 0.000 1.063 56 V HN 1.670 nan 8.190 nan 0.000 0.447 57 G N 0.271 109.116 108.800 0.076 0.000 3.039 57 G HA2 -0.201 3.777 3.960 0.030 0.000 0.686 57 G HA3 -0.201 3.777 3.960 0.030 0.000 0.686 57 G C -0.656 174.301 174.900 0.096 0.000 1.066 57 G CA 0.235 45.395 45.100 0.099 0.000 0.774 57 G HN 1.806 nan 8.290 nan 0.000 0.591 58 Y N 1.534 121.869 120.300 0.059 0.000 2.097 58 Y HA -0.141 4.427 4.550 0.029 0.000 0.282 58 Y C 2.433 178.356 175.900 0.039 0.000 1.152 58 Y CA 2.706 60.849 58.100 0.072 0.000 1.136 58 Y CB -0.005 38.523 38.460 0.114 0.000 0.975 58 Y HN 0.642 nan 8.280 nan 0.000 0.498 59 D N -0.210 120.148 120.400 -0.069 0.000 2.092 59 D HA -0.211 4.447 4.640 0.030 0.000 0.193 59 D C 2.257 178.449 176.300 -0.179 0.000 0.994 59 D CA 1.768 55.675 54.000 -0.155 0.000 0.828 59 D CB -0.342 40.454 40.800 -0.008 0.000 0.963 59 D HN 0.197 nan 8.370 nan 0.000 0.450 60 R N 1.134 121.570 120.500 -0.107 0.000 2.115 60 R HA 0.025 4.383 4.340 0.030 0.000 0.230 60 R C 1.893 178.101 176.300 -0.154 0.000 1.111 60 R CA 1.562 57.599 56.100 -0.105 0.000 0.976 60 R CB -0.732 29.528 30.300 -0.066 0.000 0.870 60 R HN 0.081 nan 8.270 nan 0.000 0.445 61 A N 0.622 123.341 122.820 -0.169 0.000 1.877 61 A HA -0.152 4.186 4.320 0.030 0.000 0.216 61 A C 2.273 179.750 177.584 -0.179 0.000 1.186 61 A CA 1.592 53.526 52.037 -0.172 0.000 0.620 61 A CB -0.627 18.294 19.000 -0.132 0.000 0.822 61 A HN 0.402 nan 8.150 nan 0.000 0.443 62 R N -0.467 119.870 120.500 -0.271 0.000 2.120 62 R HA -0.087 4.271 4.340 0.030 0.000 0.234 62 R C 2.218 178.517 176.300 -0.001 0.000 1.123 62 R CA 1.265 57.266 56.100 -0.165 0.000 0.975 62 R CB -0.356 29.690 30.300 -0.423 0.000 0.866 62 R HN 0.488 nan 8.270 nan 0.000 0.446 63 A N 0.268 123.034 122.820 -0.090 0.000 1.825 63 A HA -0.113 4.225 4.320 0.030 0.000 0.214 63 A C 2.189 179.721 177.584 -0.086 0.000 1.206 63 A CA 1.552 53.557 52.037 -0.052 0.000 0.609 63 A CB -0.952 18.010 19.000 -0.064 0.000 0.851 63 A HN 0.176 nan 8.150 nan 0.000 0.445 64 V N 0.449 120.240 119.914 -0.204 0.000 2.370 64 V HA -0.326 3.812 4.120 0.030 0.000 0.252 64 V C 2.592 178.485 176.094 -0.335 0.000 1.068 64 V CA 2.136 64.164 62.300 -0.453 0.000 1.061 64 V CB -0.912 30.466 31.823 -0.742 0.000 0.656 64 V HN 0.543 nan 8.190 nan 0.000 0.455 65 L N -0.252 120.857 121.223 -0.190 0.000 2.042 65 L HA -0.199 4.159 4.340 0.030 0.000 0.210 65 L C 2.366 179.188 176.870 -0.080 0.000 1.076 65 L CA 1.869 56.650 54.840 -0.099 0.000 0.749 65 L CB -0.521 41.549 42.059 0.018 0.000 0.893 65 L HN 0.418 nan 8.230 nan 0.000 0.432 66 A N -1.931 120.818 122.820 -0.118 0.000 2.308 66 A HA -0.014 4.325 4.320 0.030 0.000 0.217 66 A C 0.492 178.033 177.584 -0.072 0.000 1.216 66 A CA -0.206 51.721 52.037 -0.182 0.000 0.864 66 A CB -0.180 18.567 19.000 -0.421 0.000 0.902 66 A HN 0.247 nan 8.150 nan 0.000 0.499 67 D N 0.485 120.887 120.400 0.003 0.000 2.358 67 D HA 0.239 4.897 4.640 0.030 0.000 0.258 67 D C -1.719 174.661 176.300 0.133 0.000 1.223 67 D CA -1.946 52.114 54.000 0.100 0.000 0.886 67 D CB 1.229 42.171 40.800 0.237 0.000 1.120 67 D HN -0.002 nan 8.370 nan 0.000 0.482 68 P HA -0.089 nan 4.420 nan 0.000 0.219 68 P C 1.136 178.439 177.300 0.004 0.000 1.146 68 P CA 0.889 64.003 63.100 0.023 0.000 0.808 68 P CB 0.218 31.915 31.700 -0.006 0.000 0.779 69 R N -1.536 118.950 120.500 -0.024 0.000 2.159 69 R HA -0.077 4.281 4.340 0.030 0.000 0.237 69 R C 0.173 176.258 176.300 -0.358 0.000 1.131 69 R CA 0.802 56.778 56.100 -0.206 0.000 0.982 69 R CB -0.551 29.564 30.300 -0.309 0.000 0.868 69 R HN 0.253 nan 8.270 nan 0.000 0.453 70 F N 0.473 120.379 119.950 -0.074 0.000 2.334 70 F HA 0.190 4.735 4.527 0.030 0.000 0.367 70 F C 0.576 176.325 175.800 -0.085 0.000 1.115 70 F CA -0.526 57.417 58.000 -0.096 0.000 1.116 70 F CB 1.334 40.257 39.000 -0.129 0.000 1.230 70 F HN -0.197 nan 8.300 nan 0.000 0.484 71 S N 2.667 118.398 115.700 0.052 0.000 2.610 71 S HA 0.347 4.835 4.470 0.030 0.000 0.273 71 S C 0.734 175.333 174.600 -0.002 0.000 1.274 71 S CA -0.583 57.653 58.200 0.059 0.000 1.023 71 S CB 0.865 64.119 63.200 0.090 0.000 0.962 71 S HN 0.737 nan 8.310 nan 0.000 0.523 72 K N 1.333 121.735 120.400 0.003 0.000 2.387 72 K HA 0.181 4.520 4.320 0.030 0.000 0.203 72 K C -0.496 176.167 176.600 0.105 0.000 1.030 72 K CA -0.283 55.941 56.287 -0.105 0.000 1.099 72 K CB 0.335 32.697 32.500 -0.230 0.000 0.863 72 K HN 0.547 nan 8.250 nan 0.000 0.529 73 D N -0.368 120.142 120.400 0.184 0.000 2.249 73 D HA 0.021 4.680 4.640 0.030 0.000 0.246 73 D C 0.137 176.558 176.300 0.201 0.000 1.114 73 D CA -0.460 53.665 54.000 0.208 0.000 0.854 73 D CB 0.638 41.524 40.800 0.143 0.000 1.132 73 D HN 0.042 nan 8.370 nan 0.000 0.461 74 W N 3.313 124.671 121.300 0.097 0.000 2.848 74 W HA -0.034 4.642 4.660 0.026 0.000 0.241 74 W C 2.240 178.658 176.519 -0.169 0.000 1.289 74 W CA 0.028 57.304 57.345 -0.115 0.000 1.396 74 W CB -0.092 29.316 29.460 -0.087 0.000 1.138 74 W HN 0.524 nan 8.180 nan 0.000 0.677 75 R N 0.032 120.587 120.500 0.091 0.000 2.280 75 R HA -0.007 4.351 4.340 0.030 0.000 0.207 75 R C 0.738 177.022 176.300 -0.027 0.000 1.043 75 R CA 1.113 57.234 56.100 0.035 0.000 1.006 75 R CB -0.524 29.802 30.300 0.044 0.000 0.885 75 R HN 0.114 nan 8.270 nan 0.000 0.467 76 N N 0.537 119.189 118.700 -0.080 0.000 2.203 76 N HA 0.016 4.774 4.740 0.030 0.000 0.207 76 N C -0.584 174.760 175.510 -0.277 0.000 1.130 76 N CA 0.115 53.102 53.050 -0.106 0.000 0.861 76 N CB 1.234 39.718 38.487 -0.003 0.000 1.005 76 N HN 0.109 nan 8.380 nan 0.000 0.507 77 S N 0.110 115.484 115.700 -0.543 0.000 2.525 77 S HA 0.298 4.786 4.470 0.030 0.000 0.290 77 S C 1.176 175.606 174.600 -0.283 0.000 1.152 77 S CA -0.499 57.236 58.200 -0.774 0.000 1.072 77 S CB 1.011 63.225 63.200 -1.643 0.000 1.027 77 S HN 0.293 nan 8.310 nan 0.000 0.500 78 T N 0.483 114.935 114.554 -0.170 0.000 3.086 78 T HA 0.196 4.564 4.350 0.030 0.000 0.250 78 T C 0.441 175.148 174.700 0.011 0.000 1.074 78 T CA -0.100 61.971 62.100 -0.048 0.000 0.988 78 T CB -0.246 68.613 68.868 -0.016 0.000 0.988 78 T HN 0.479 nan 8.240 nan 0.000 0.530 79 T N 4.836 119.408 114.554 0.030 0.000 2.727 79 T HA 0.392 4.760 4.350 0.030 0.000 0.298 79 T C -2.579 172.260 174.700 0.231 0.000 0.942 79 T CA -1.124 61.075 62.100 0.164 0.000 0.997 79 T CB 0.895 69.934 68.868 0.285 0.000 0.917 79 T HN 0.132 nan 8.240 nan 0.000 0.487 80 P HA 0.028 nan 4.420 nan 0.000 0.261 80 P C -0.542 176.775 177.300 0.029 0.000 1.173 80 P CA -0.089 63.055 63.100 0.073 0.000 0.760 80 P CB 0.427 32.151 31.700 0.040 0.000 0.783 81 L N 4.006 125.182 121.223 -0.078 0.000 2.257 81 L HA 0.269 4.628 4.340 0.030 0.000 0.290 81 L C 0.688 177.423 176.870 -0.226 0.000 1.044 81 L CA -0.562 54.081 54.840 -0.329 0.000 0.810 81 L CB 0.765 42.509 42.059 -0.524 0.000 1.193 81 L HN 0.433 nan 8.230 nan 0.000 0.425 82 T N 0.519 114.946 114.554 -0.211 0.000 2.903 82 T HA 0.091 4.459 4.350 0.030 0.000 0.314 82 T C 1.361 175.968 174.700 -0.155 0.000 1.078 82 T CA 0.326 62.341 62.100 -0.142 0.000 1.114 82 T CB 1.212 70.011 68.868 -0.115 0.000 0.987 82 T HN 0.768 nan 8.240 nan 0.000 0.548 83 E N 1.607 121.744 120.200 -0.106 0.000 2.118 83 E HA -0.042 4.326 4.350 0.030 0.000 0.195 83 E C 2.470 179.003 176.600 -0.111 0.000 0.992 83 E CA 1.938 58.282 56.400 -0.094 0.000 0.804 83 E CB -1.215 28.448 29.700 -0.063 0.000 0.741 83 E HN 1.024 nan 8.360 nan 0.000 0.458 84 A N 0.936 123.688 122.820 -0.114 0.000 1.873 84 A HA -0.181 4.157 4.320 0.030 0.000 0.215 84 A C 2.215 179.689 177.584 -0.182 0.000 1.186 84 A CA 1.729 53.692 52.037 -0.124 0.000 0.616 84 A CB -0.286 18.656 19.000 -0.096 0.000 0.823 84 A HN 0.583 nan 8.150 nan 0.000 0.442 85 E N -0.155 119.910 120.200 -0.225 0.000 2.150 85 E HA -0.049 4.319 4.350 0.030 0.000 0.193 85 E C 2.218 178.615 176.600 -0.339 0.000 0.985 85 E CA 0.792 57.000 56.400 -0.320 0.000 0.814 85 E CB -0.272 29.195 29.700 -0.389 0.000 0.752 85 E HN 0.613 nan 8.360 nan 0.000 0.466 86 A N 1.652 124.303 122.820 -0.281 0.000 1.930 86 A HA -0.042 4.297 4.320 0.030 0.000 0.217 86 A C 2.408 179.929 177.584 -0.105 0.000 1.175 86 A CA 1.350 53.256 52.037 -0.219 0.000 0.627 86 A CB -0.538 18.368 19.000 -0.157 0.000 0.815 86 A HN 0.274 nan 8.150 nan 0.000 0.443 87 A N -0.738 122.018 122.820 -0.107 0.000 2.131 87 A HA 0.046 4.384 4.320 0.030 0.000 0.220 87 A C 1.793 179.333 177.584 -0.072 0.000 1.158 87 A CA 1.458 53.455 52.037 -0.067 0.000 0.665 87 A CB -0.439 18.506 19.000 -0.092 0.000 0.795 87 A HN 0.499 nan 8.150 nan 0.000 0.460 88 L N -0.428 120.696 121.223 -0.164 0.000 2.731 88 L HA 0.083 4.441 4.340 0.030 0.000 0.240 88 L C 1.776 178.557 176.870 -0.148 0.000 1.120 88 L CA 0.387 55.076 54.840 -0.251 0.000 0.913 88 L CB -0.119 41.566 42.059 -0.623 0.000 1.213 88 L HN 0.511 nan 8.230 nan 0.000 0.515 89 N N -0.753 117.880 118.700 -0.111 0.000 2.461 89 N HA -0.140 4.618 4.740 0.030 0.000 0.188 89 N C 0.483 175.969 175.510 -0.041 0.000 1.134 89 N CA 0.353 53.354 53.050 -0.081 0.000 0.878 89 N CB -0.188 38.187 38.487 -0.187 0.000 0.972 89 N HN 0.406 nan 8.380 nan 0.000 0.456 90 H N 1.179 120.271 119.070 0.037 0.000 2.970 90 H HA 0.121 4.695 4.556 0.031 0.000 0.226 90 H C -0.301 175.081 175.328 0.089 0.000 1.909 90 H CA -0.065 56.023 56.048 0.066 0.000 1.388 90 H CB -0.520 29.265 29.762 0.039 0.000 1.773 90 H HN 0.559 nan 8.280 nan 0.000 0.559 91 N N -0.273 118.527 118.700 0.167 0.000 2.357 91 N HA 0.092 4.850 4.740 0.030 0.000 0.284 91 N C 1.209 176.820 175.510 0.169 0.000 1.236 91 N CA -0.924 52.226 53.050 0.166 0.000 0.774 91 N CB 1.010 39.611 38.487 0.190 0.000 1.534 91 N HN 0.100 nan 8.380 nan 0.000 0.478 92 M N -0.540 119.154 119.600 0.157 0.000 2.106 92 M HA -0.104 4.394 4.480 0.030 0.000 0.259 92 M C 0.969 177.503 176.300 0.390 0.000 1.068 92 M CA 1.695 57.133 55.300 0.229 0.000 1.100 92 M CB -0.480 32.187 32.600 0.113 0.000 1.351 92 M HN 0.513 nan 8.290 nan 0.000 0.404 93 L N 1.017 122.387 121.223 0.245 0.000 2.376 93 L HA 0.053 4.411 4.340 0.030 0.000 0.219 93 L C 0.855 177.730 176.870 0.007 0.000 1.133 93 L CA 1.631 56.541 54.840 0.116 0.000 0.816 93 L CB -0.411 41.680 42.059 0.053 0.000 0.933 93 L HN 0.408 nan 8.230 nan 0.000 0.449 94 E N -0.698 119.583 120.200 0.134 0.000 2.723 94 E HA 0.236 4.604 4.350 0.030 0.000 0.219 94 E C -0.287 176.430 176.600 0.195 0.000 1.060 94 E CA -0.074 56.433 56.400 0.177 0.000 1.291 94 E CB 0.236 30.101 29.700 0.276 0.000 1.265 94 E HN 0.420 nan 8.360 nan 0.000 0.438 95 S N -0.699 115.131 115.700 0.217 0.000 2.607 95 S HA 0.556 5.044 4.470 0.030 0.000 0.273 95 S C -1.082 173.691 174.600 0.287 0.000 1.148 95 S CA -1.087 57.259 58.200 0.243 0.000 0.833 95 S CB 2.500 65.853 63.200 0.256 0.000 1.130 95 S HN -0.104 nan 8.310 nan 0.000 0.470 96 D N 0.956 121.483 120.400 0.212 0.000 2.450 96 D HA 0.657 5.315 4.640 0.030 0.000 0.238 96 D C -2.772 173.619 176.300 0.152 0.000 1.020 96 D CA -1.412 52.680 54.000 0.153 0.000 1.010 96 D CB 1.583 42.445 40.800 0.103 0.000 1.342 96 D HN 0.361 nan 8.370 nan 0.000 0.530 97 P HA 0.177 nan 4.420 nan 0.000 0.274 97 P C -1.687 175.659 177.300 0.077 0.000 1.237 97 P CA -0.919 62.245 63.100 0.107 0.000 0.793 97 P CB 0.483 32.227 31.700 0.073 0.000 0.977 98 P HA -0.068 nan 4.420 nan 0.000 0.221 98 P C 1.653 179.003 177.300 0.084 0.000 1.150 98 P CA 0.937 64.079 63.100 0.069 0.000 0.800 98 P CB 0.262 31.992 31.700 0.050 0.000 0.787 99 R N -0.041 120.519 120.500 0.100 0.000 2.097 99 R HA -0.227 4.131 4.340 0.030 0.000 0.236 99 R C 2.605 178.975 176.300 0.117 0.000 1.135 99 R CA 1.817 57.981 56.100 0.107 0.000 0.934 99 R CB -1.186 29.189 30.300 0.125 0.000 0.846 99 R HN 0.290 nan 8.270 nan 0.000 0.431 100 H N -0.012 119.102 119.070 0.073 0.000 2.357 100 H HA -0.118 4.456 4.556 0.030 0.000 0.296 100 H C 1.399 176.747 175.328 0.033 0.000 1.108 100 H CA 2.278 58.367 56.048 0.069 0.000 1.273 100 H CB -0.077 29.717 29.762 0.052 0.000 1.367 100 H HN 0.270 nan 8.280 nan 0.000 0.498 101 T N 0.914 115.487 114.554 0.031 0.000 2.708 101 T HA -0.159 4.210 4.350 0.030 0.000 0.266 101 T C 2.165 176.826 174.700 -0.065 0.000 1.037 101 T CA 1.596 63.680 62.100 -0.026 0.000 1.146 101 T CB -0.220 68.679 68.868 0.050 0.000 0.865 101 T HN 0.400 nan 8.240 nan 0.000 0.435 102 R N 0.792 121.280 120.500 -0.020 0.000 2.073 102 R HA 0.009 4.367 4.340 0.030 0.000 0.234 102 R C 2.349 178.634 176.300 -0.025 0.000 1.134 102 R CA 1.173 57.268 56.100 -0.009 0.000 0.952 102 R CB -0.418 29.892 30.300 0.017 0.000 0.850 102 R HN 0.360 nan 8.270 nan 0.000 0.433 103 L N -0.033 121.168 121.223 -0.037 0.000 2.072 103 L HA -0.056 4.302 4.340 0.030 0.000 0.205 103 L C 2.865 179.698 176.870 -0.061 0.000 1.079 103 L CA 1.381 56.205 54.840 -0.027 0.000 0.752 103 L CB -0.493 41.570 42.059 0.007 0.000 0.906 103 L HN 0.223 nan 8.230 nan 0.000 0.436 104 R N 0.841 121.239 120.500 -0.170 0.000 2.120 104 R HA -0.170 4.188 4.340 0.030 0.000 0.234 104 R C 2.252 178.522 176.300 -0.050 0.000 1.123 104 R CA 1.344 57.357 56.100 -0.145 0.000 0.975 104 R CB -0.019 30.102 30.300 -0.299 0.000 0.866 104 R HN 0.226 nan 8.270 nan 0.000 0.446 105 K N -0.093 120.275 120.400 -0.052 0.000 2.103 105 K HA -0.147 4.192 4.320 0.030 0.000 0.207 105 K C 1.815 178.421 176.600 0.010 0.000 1.048 105 K CA 1.254 57.533 56.287 -0.013 0.000 0.930 105 K CB -0.106 32.385 32.500 -0.014 0.000 0.716 105 K HN 0.101 nan 8.250 nan 0.000 0.444 106 L N 0.006 121.236 121.223 0.013 0.000 2.187 106 L HA -0.155 4.203 4.340 0.030 0.000 0.213 106 L C 2.021 178.920 176.870 0.048 0.000 1.100 106 L CA 1.453 56.309 54.840 0.027 0.000 0.765 106 L CB -0.479 41.597 42.059 0.028 0.000 0.904 106 L HN 0.135 nan 8.230 nan 0.000 0.437 107 V N -5.861 114.102 119.914 0.080 0.000 3.502 107 V HA 0.451 4.589 4.120 0.030 0.000 0.288 107 V C 2.101 178.314 176.094 0.199 0.000 1.461 107 V CA 0.323 62.713 62.300 0.150 0.000 1.029 107 V CB -0.360 31.629 31.823 0.276 0.000 0.843 107 V HN 0.098 nan 8.190 nan 0.000 0.438 108 A N 1.559 124.459 122.820 0.134 0.000 1.958 108 A HA -0.229 4.109 4.320 0.030 0.000 0.221 108 A C 2.411 180.068 177.584 0.121 0.000 1.178 108 A CA 3.165 55.284 52.037 0.136 0.000 0.642 108 A CB -0.781 18.260 19.000 0.069 0.000 0.816 108 A HN 0.977 nan 8.150 nan 0.000 0.453 109 R N -0.099 120.437 120.500 0.059 0.000 2.323 109 R HA 0.082 4.440 4.340 0.030 0.000 0.198 109 R C 1.426 177.698 176.300 -0.048 0.000 0.988 109 R CA 1.335 57.442 56.100 0.012 0.000 1.041 109 R CB -0.743 29.555 30.300 -0.003 0.000 0.926 109 R HN 0.698 nan 8.270 nan 0.000 0.476 110 E N -0.778 119.366 120.200 -0.094 0.000 2.276 110 E HA 0.081 4.449 4.350 0.030 0.000 0.193 110 E C 0.095 176.317 176.600 -0.631 0.000 0.983 110 E CA 0.574 56.737 56.400 -0.396 0.000 0.861 110 E CB 0.168 29.514 29.700 -0.590 0.000 0.817 110 E HN 0.678 nan 8.360 nan 0.000 0.485 111 F N 1.491 121.441 119.950 -0.001 0.000 2.708 111 F HA 0.125 4.670 4.527 0.031 0.000 0.300 111 F C 0.832 176.631 175.800 -0.001 0.000 1.118 111 F CA -0.477 57.522 58.000 -0.002 0.000 1.307 111 F CB 0.020 39.020 39.000 0.000 0.000 0.986 111 F HN -0.258 nan 8.300 nan 0.000 0.522 112 T N -2.865 111.738 114.554 0.082 0.000 2.898 112 T HA 0.162 4.530 4.350 0.030 0.000 0.301 112 T C 1.472 176.194 174.700 0.038 0.000 1.049 112 T CA -0.531 61.605 62.100 0.059 0.000 1.095 112 T CB 1.176 70.060 68.868 0.027 0.000 0.976 112 T HN 0.218 nan 8.240 nan 0.000 0.539 113 M N 0.897 120.518 119.600 0.035 0.000 2.088 113 M HA -0.165 4.333 4.480 0.030 0.000 0.256 113 M C 2.773 179.080 176.300 0.011 0.000 1.071 113 M CA 2.032 57.347 55.300 0.026 0.000 1.097 113 M CB -0.489 32.125 32.600 0.022 0.000 1.315 113 M HN 0.664 nan 8.290 nan 0.000 0.406 114 R N -0.488 120.014 120.500 0.005 0.000 2.094 114 R HA -0.195 4.163 4.340 0.030 0.000 0.239 114 R C 2.313 178.605 176.300 -0.015 0.000 1.137 114 R CA 1.734 57.832 56.100 -0.004 0.000 0.943 114 R CB -0.533 29.764 30.300 -0.006 0.000 0.850 114 R HN 0.182 nan 8.270 nan 0.000 0.433 115 R N 0.912 121.397 120.500 -0.025 0.000 2.127 115 R HA -0.112 4.246 4.340 0.030 0.000 0.238 115 R C 2.140 178.405 176.300 -0.057 0.000 1.134 115 R CA 1.627 57.696 56.100 -0.051 0.000 0.975 115 R CB -0.433 29.820 30.300 -0.079 0.000 0.865 115 R HN 0.343 nan 8.270 nan 0.000 0.447 116 V N -2.051 117.843 119.914 -0.034 0.000 3.052 116 V HA 0.111 4.249 4.120 0.030 0.000 0.254 116 V C 1.588 177.678 176.094 -0.006 0.000 1.100 116 V CA 1.421 63.709 62.300 -0.020 0.000 1.112 116 V CB -0.136 31.701 31.823 0.024 0.000 0.738 116 V HN 0.142 nan 8.190 nan 0.000 0.469 117 E N 0.640 120.839 120.200 -0.003 0.000 2.515 117 E HA 0.043 4.411 4.350 0.030 0.000 0.201 117 E C 1.516 178.113 176.600 -0.005 0.000 1.071 117 E CA 0.873 57.274 56.400 0.002 0.000 0.880 117 E CB -0.582 29.120 29.700 0.004 0.000 0.828 117 E HN 0.750 nan 8.360 nan 0.000 0.540 118 L N -0.499 120.716 121.223 -0.015 0.000 2.616 118 L HA 0.137 4.495 4.340 0.030 0.000 0.229 118 L C 1.350 178.209 176.870 -0.019 0.000 1.110 118 L CA 0.085 54.914 54.840 -0.018 0.000 0.884 118 L CB 0.055 42.099 42.059 -0.026 0.000 1.115 118 L HN 0.182 nan 8.230 nan 0.000 0.481 119 L N -0.994 120.218 121.223 -0.018 0.000 2.529 119 L HA 0.072 4.430 4.340 0.030 0.000 0.223 119 L C 2.472 179.337 176.870 -0.008 0.000 1.113 119 L CA 0.154 54.984 54.840 -0.017 0.000 0.861 119 L CB -0.488 41.560 42.059 -0.017 0.000 1.012 119 L HN 0.193 nan 8.230 nan 0.000 0.461 120 R N 1.526 122.024 120.500 -0.003 0.000 2.168 120 R HA -0.229 4.129 4.340 0.030 0.000 0.242 120 R C -0.426 175.873 176.300 -0.001 0.000 1.123 120 R CA 2.615 58.717 56.100 0.002 0.000 0.928 120 R CB -1.409 28.894 30.300 0.004 0.000 0.873 120 R HN 0.166 nan 8.270 nan 0.000 0.434 121 P HA -0.235 nan 4.420 nan 0.000 0.216 121 P C 0.844 178.139 177.300 -0.007 0.000 1.167 121 P CA 1.789 64.886 63.100 -0.005 0.000 0.914 121 P CB -0.177 31.519 31.700 -0.007 0.000 0.793 122 R N -0.016 120.478 120.500 -0.009 0.000 2.073 122 R HA -0.102 4.256 4.340 0.030 0.000 0.234 122 R C 1.962 178.255 176.300 -0.011 0.000 1.134 122 R CA 1.738 57.831 56.100 -0.012 0.000 0.952 122 R CB -1.580 28.711 30.300 -0.015 0.000 0.850 122 R HN 0.009 nan 8.270 nan 0.000 0.433 123 V N 0.809 120.717 119.914 -0.009 0.000 2.407 123 V HA -0.226 3.912 4.120 0.030 0.000 0.248 123 V C 2.368 178.459 176.094 -0.005 0.000 1.055 123 V CA 2.095 64.391 62.300 -0.007 0.000 1.049 123 V CB -0.656 31.168 31.823 0.000 0.000 0.662 123 V HN 0.387 nan 8.190 nan 0.000 0.455 124 Q N 0.673 120.471 119.800 -0.004 0.000 2.079 124 Q HA -0.231 4.127 4.340 0.030 0.000 0.200 124 Q C 2.210 178.206 176.000 -0.007 0.000 0.974 124 Q CA 2.302 58.103 55.803 -0.003 0.000 0.840 124 Q CB -0.335 28.402 28.738 -0.002 0.000 0.898 124 Q HN 0.737 nan 8.270 nan 0.000 0.430 125 E N -0.414 119.781 120.200 -0.008 0.000 2.051 125 E HA -0.185 4.183 4.350 0.030 0.000 0.192 125 E C 1.885 178.479 176.600 -0.009 0.000 0.991 125 E CA 1.440 57.835 56.400 -0.008 0.000 0.799 125 E CB -0.227 29.468 29.700 -0.008 0.000 0.748 125 E HN 0.518 nan 8.360 nan 0.000 0.449 126 I N 0.357 120.921 120.570 -0.011 0.000 2.226 126 I HA -0.255 3.933 4.170 0.030 0.000 0.245 126 I C 2.349 178.460 176.117 -0.010 0.000 1.100 126 I CA 0.739 62.032 61.300 -0.012 0.000 1.374 126 I CB -0.151 37.837 38.000 -0.021 0.000 1.057 126 I HN 0.095 nan 8.210 nan 0.000 0.413 127 V N 0.504 120.412 119.914 -0.010 0.000 2.358 127 V HA -0.263 3.875 4.120 0.030 0.000 0.246 127 V C 2.046 178.131 176.094 -0.015 0.000 1.047 127 V CA 1.830 64.125 62.300 -0.008 0.000 1.035 127 V CB -0.600 31.220 31.823 -0.005 0.000 0.658 127 V HN 0.389 nan 8.190 nan 0.000 0.452 128 D N 0.538 120.929 120.400 -0.016 0.000 2.178 128 D HA -0.106 4.552 4.640 0.030 0.000 0.201 128 D C 2.169 178.454 176.300 -0.024 0.000 0.980 128 D CA 1.581 55.567 54.000 -0.023 0.000 0.842 128 D CB -0.345 40.443 40.800 -0.019 0.000 0.948 128 D HN 0.484 nan 8.370 nan 0.000 0.472 129 G N 0.724 109.516 108.800 -0.014 0.000 2.402 129 G HA2 -0.159 3.819 3.960 0.030 0.000 0.216 129 G HA3 -0.159 3.819 3.960 0.030 0.000 0.216 129 G C 1.808 176.704 174.900 -0.007 0.000 1.162 129 G CA 0.147 45.241 45.100 -0.009 0.000 0.777 129 G HN 0.250 nan 8.290 nan 0.000 0.539 130 L N 0.327 121.548 121.223 -0.002 0.000 2.131 130 L HA -0.054 4.304 4.340 0.030 0.000 0.210 130 L C 2.886 179.745 176.870 -0.018 0.000 1.092 130 L CA 0.287 55.132 54.840 0.008 0.000 0.759 130 L CB -0.422 41.649 42.059 0.021 0.000 0.903 130 L HN 0.082 nan 8.230 nan 0.000 0.435 131 V N -0.501 119.386 119.914 -0.046 0.000 2.379 131 V HA -0.222 3.916 4.120 0.030 0.000 0.245 131 V C 2.094 178.110 176.094 -0.129 0.000 1.044 131 V CA 1.631 63.870 62.300 -0.102 0.000 1.036 131 V CB -0.403 31.356 31.823 -0.106 0.000 0.664 131 V HN 0.414 nan 8.190 nan 0.000 0.453 132 D N 0.535 120.885 120.400 -0.084 0.000 2.144 132 D HA -0.129 4.529 4.640 0.030 0.000 0.199 132 D C 2.219 178.491 176.300 -0.046 0.000 0.984 132 D CA 1.607 55.564 54.000 -0.072 0.000 0.834 132 D CB -0.063 40.712 40.800 -0.041 0.000 0.955 132 D HN 0.447 nan 8.370 nan 0.000 0.465 133 A N 1.109 123.916 122.820 -0.023 0.000 1.898 133 A HA -0.141 4.197 4.320 0.030 0.000 0.216 133 A C 2.196 179.791 177.584 0.017 0.000 1.181 133 A CA 1.293 53.335 52.037 0.007 0.000 0.620 133 A CB -0.572 18.442 19.000 0.023 0.000 0.819 133 A HN 0.186 nan 8.150 nan 0.000 0.442 134 M N -0.436 119.157 119.600 -0.012 0.000 2.175 134 M HA 0.033 4.531 4.480 0.030 0.000 0.264 134 M C 0.518 176.805 176.300 -0.021 0.000 1.063 134 M CA 1.250 56.557 55.300 0.013 0.000 1.119 134 M CB -0.197 32.370 32.600 -0.054 0.000 1.377 134 M HN 0.296 nan 8.290 nan 0.000 0.415 135 L N 0.793 121.914 121.223 -0.171 0.000 2.994 135 L HA 0.051 4.409 4.340 0.030 0.000 0.256 135 L C 1.107 178.000 176.870 0.039 0.000 1.315 135 L CA -0.217 54.505 54.840 -0.197 0.000 1.143 135 L CB -0.772 41.125 42.059 -0.270 0.000 1.530 135 L HN 0.352 nan 8.230 nan 0.000 0.422 136 A N -0.508 122.396 122.820 0.140 0.000 2.390 136 A HA 0.448 4.787 4.320 0.030 0.000 0.225 136 A C 1.161 178.851 177.584 0.176 0.000 1.232 136 A CA 0.118 52.232 52.037 0.128 0.000 0.964 136 A CB 0.329 19.378 19.000 0.080 0.000 1.064 136 A HN 0.314 nan 8.150 nan 0.000 0.525 137 A N 1.432 124.427 122.820 0.291 0.000 2.484 137 A HA 0.496 4.834 4.320 0.030 0.000 0.268 137 A C -1.130 176.544 177.584 0.149 0.000 1.114 137 A CA -0.729 51.435 52.037 0.213 0.000 0.780 137 A CB -0.108 19.028 19.000 0.226 0.000 1.061 137 A HN 0.185 nan 8.150 nan 0.000 0.505 138 P HA -0.134 nan 4.420 nan 0.000 0.218 138 P C 0.558 177.845 177.300 -0.022 0.000 1.149 138 P CA 1.502 64.623 63.100 0.035 0.000 0.817 138 P CB 0.171 31.882 31.700 0.019 0.000 0.785 139 D N -2.030 118.321 120.400 -0.083 0.000 2.339 139 D HA 0.113 4.771 4.640 0.030 0.000 0.217 139 D C 1.122 177.229 176.300 -0.322 0.000 1.050 139 D CA 0.275 54.184 54.000 -0.152 0.000 0.856 139 D CB -1.004 39.716 40.800 -0.133 0.000 0.922 139 D HN 0.122 nan 8.370 nan 0.000 0.518 140 G N 0.921 109.447 108.800 -0.457 0.000 2.295 140 G HA2 -0.316 3.662 3.960 0.030 0.000 0.287 140 G HA3 -0.316 3.662 3.960 0.030 0.000 0.287 140 G C -0.160 173.794 174.900 -1.575 0.000 1.055 140 G CA -0.031 44.308 45.100 -1.268 0.000 0.922 140 G HN 0.462 nan 8.290 nan 0.000 0.503 141 R N -0.684 119.209 120.500 -1.011 0.000 2.686 141 R HA 0.851 5.209 4.340 0.030 0.000 0.283 141 R C -0.051 176.072 176.300 -0.295 0.000 0.978 141 R CA -0.031 55.705 56.100 -0.608 0.000 0.897 141 R CB 2.226 32.344 30.300 -0.304 0.000 1.192 141 R HN 0.967 nan 8.270 nan 0.000 0.457 142 A N 1.081 123.859 122.820 -0.070 0.000 2.564 142 A HA 0.396 4.734 4.320 0.030 0.000 0.291 142 A C -1.974 175.669 177.584 0.099 0.000 1.102 142 A CA -0.725 51.389 52.037 0.128 0.000 0.660 142 A CB 1.871 21.113 19.000 0.403 0.000 1.283 142 A HN 0.618 nan 8.150 nan 0.000 0.430 143 D N 0.299 120.755 120.400 0.092 0.000 2.414 143 D HA 0.404 5.062 4.640 0.030 0.000 0.232 143 D C 0.743 177.092 176.300 0.082 0.000 1.070 143 D CA -0.538 53.495 54.000 0.055 0.000 0.839 143 D CB 1.282 42.094 40.800 0.019 0.000 1.079 143 D HN 0.345 nan 8.370 nan 0.000 0.521 144 L N 4.698 125.970 121.223 0.082 0.000 2.127 144 L HA -0.066 4.292 4.340 0.030 0.000 0.211 144 L C 1.759 178.680 176.870 0.084 0.000 1.089 144 L CA 1.727 56.620 54.840 0.088 0.000 0.757 144 L CB -0.840 41.267 42.059 0.079 0.000 0.899 144 L HN 0.652 nan 8.230 nan 0.000 0.434 145 M N -0.153 119.485 119.600 0.064 0.000 2.066 145 M HA -0.217 4.281 4.480 0.030 0.000 0.259 145 M C 2.268 178.658 176.300 0.149 0.000 1.074 145 M CA 2.245 57.600 55.300 0.091 0.000 1.114 145 M CB -0.835 31.795 32.600 0.050 0.000 1.306 145 M HN 0.423 nan 8.290 nan 0.000 0.411 146 E N -1.020 119.242 120.200 0.103 0.000 2.077 146 E HA -0.168 4.200 4.350 0.030 0.000 0.193 146 E C 1.759 178.449 176.600 0.151 0.000 0.989 146 E CA 1.688 58.148 56.400 0.100 0.000 0.800 146 E CB -0.119 29.595 29.700 0.023 0.000 0.746 146 E HN 0.586 nan 8.360 nan 0.000 0.452 147 S N -0.295 115.480 115.700 0.125 0.000 2.461 147 S HA -0.015 4.473 4.470 0.030 0.000 0.228 147 S C 1.420 176.091 174.600 0.118 0.000 1.005 147 S CA 0.674 58.946 58.200 0.119 0.000 0.942 147 S CB 0.221 63.485 63.200 0.107 0.000 0.776 147 S HN 0.249 nan 8.310 nan 0.000 0.514 148 L N -0.796 120.503 121.223 0.128 0.000 2.230 148 L HA 0.485 4.843 4.340 0.030 0.000 0.164 148 L C 1.936 178.870 176.870 0.107 0.000 1.237 148 L CA 0.873 55.771 54.840 0.098 0.000 1.030 148 L CB -1.029 41.068 42.059 0.062 0.000 2.103 148 L HN 0.038 nan 8.230 nan 0.000 0.490 149 A N -0.315 122.574 122.820 0.115 0.000 1.927 149 A HA -0.318 4.020 4.320 0.030 0.000 0.220 149 A C 1.958 179.630 177.584 0.145 0.000 1.185 149 A CA 2.579 54.684 52.037 0.113 0.000 0.639 149 A CB -1.307 17.758 19.000 0.109 0.000 0.820 149 A HN 0.722 nan 8.150 nan 0.000 0.451 150 W N 0.489 121.829 121.300 0.067 0.000 2.463 150 W HA 0.041 4.718 4.660 0.029 0.000 0.316 150 W C -1.053 175.534 176.519 0.113 0.000 1.170 150 W CA 1.774 59.181 57.345 0.105 0.000 1.355 150 W CB -1.095 28.415 29.460 0.083 0.000 1.159 150 W HN 0.206 nan 8.180 nan 0.000 0.487 151 P HA -0.279 nan 4.420 nan 0.000 0.218 151 P C 1.795 178.941 177.300 -0.257 0.000 1.154 151 P CA 2.262 65.298 63.100 -0.106 0.000 0.872 151 P CB -0.425 31.408 31.700 0.220 0.000 0.790 152 L N -0.043 121.105 121.223 -0.124 0.000 1.955 152 L HA -0.104 4.254 4.340 0.030 0.000 0.213 152 L C -0.813 175.962 176.870 -0.158 0.000 1.072 152 L CA 2.858 57.635 54.840 -0.104 0.000 0.755 152 L CB -2.369 39.669 42.059 -0.035 0.000 0.888 152 L HN 0.018 nan 8.230 nan 0.000 0.432 153 P HA -0.170 nan 4.420 nan 0.000 0.215 153 P C 1.992 179.114 177.300 -0.296 0.000 1.157 153 P CA 1.460 64.470 63.100 -0.151 0.000 0.868 153 P CB -0.139 31.545 31.700 -0.027 0.000 0.788 154 I N -1.206 119.035 120.570 -0.549 0.000 2.546 154 I HA -0.134 4.054 4.170 0.030 0.000 0.255 154 I C 1.543 177.405 176.117 -0.425 0.000 1.163 154 I CA 1.872 62.774 61.300 -0.663 0.000 1.457 154 I CB -1.110 36.312 38.000 -0.963 0.000 1.092 154 I HN -0.115 nan 8.210 nan 0.000 0.434 155 T N -0.506 113.841 114.554 -0.345 0.000 2.812 155 T HA -0.066 4.302 4.350 0.030 0.000 0.264 155 T C 2.042 176.656 174.700 -0.142 0.000 1.042 155 T CA 1.539 63.519 62.100 -0.200 0.000 1.140 155 T CB -0.370 68.413 68.868 -0.142 0.000 0.870 155 T HN 0.163 nan 8.240 nan 0.000 0.445 156 V N 1.380 121.214 119.914 -0.133 0.000 2.261 156 V HA -0.098 4.040 4.120 0.030 0.000 0.246 156 V C 2.354 178.402 176.094 -0.078 0.000 1.047 156 V CA 1.271 63.522 62.300 -0.082 0.000 1.015 156 V CB -0.511 31.279 31.823 -0.055 0.000 0.642 156 V HN 0.338 nan 8.190 nan 0.000 0.446 157 I N -0.047 120.459 120.570 -0.108 0.000 2.756 157 I HA -0.133 4.055 4.170 0.030 0.000 0.262 157 I C 2.279 178.326 176.117 -0.116 0.000 1.225 157 I CA 1.277 62.524 61.300 -0.089 0.000 1.472 157 I CB -0.241 37.688 38.000 -0.119 0.000 1.094 157 I HN 0.187 nan 8.210 nan 0.000 0.454 158 S N -0.336 115.271 115.700 -0.155 0.000 2.446 158 S HA -0.035 4.453 4.470 0.030 0.000 0.225 158 S C 1.794 176.356 174.600 -0.063 0.000 1.016 158 S CA 0.662 58.782 58.200 -0.133 0.000 0.943 158 S CB -0.091 63.019 63.200 -0.150 0.000 0.786 158 S HN 0.520 nan 8.310 nan 0.000 0.508 159 E N 0.892 121.057 120.200 -0.058 0.000 2.086 159 E HA 0.114 4.482 4.350 0.030 0.000 0.190 159 E C 0.681 177.262 176.600 -0.031 0.000 0.975 159 E CA 0.529 56.907 56.400 -0.035 0.000 0.813 159 E CB -0.020 29.658 29.700 -0.036 0.000 0.768 159 E HN 0.332 nan 8.360 nan 0.000 0.457 160 L N 1.335 122.538 121.223 -0.034 0.000 2.862 160 L HA 0.135 4.493 4.340 0.030 0.000 0.240 160 L C 0.937 177.797 176.870 -0.016 0.000 1.283 160 L CA 0.153 54.973 54.840 -0.034 0.000 1.117 160 L CB 0.214 42.256 42.059 -0.030 0.000 1.444 160 L HN 0.180 nan 8.230 nan 0.000 0.456 161 L N -1.504 119.711 121.223 -0.012 0.000 2.726 161 L HA 0.243 4.601 4.340 0.030 0.000 0.287 161 L C 0.849 177.724 176.870 0.009 0.000 1.047 161 L CA 0.425 55.269 54.840 0.006 0.000 1.304 161 L CB 0.644 42.707 42.059 0.007 0.000 2.440 161 L HN 0.211 nan 8.230 nan 0.000 0.569 162 G N 1.609 110.412 108.800 0.006 0.000 2.427 162 G HA2 -0.139 3.839 3.960 0.030 0.000 0.193 162 G HA3 -0.139 3.839 3.960 0.030 0.000 0.193 162 G C -0.500 174.432 174.900 0.053 0.000 1.086 162 G CA -0.117 44.996 45.100 0.022 0.000 0.818 162 G HN 0.014 nan 8.290 nan 0.000 0.490 163 V N 1.418 121.365 119.914 0.055 0.000 2.334 163 V HA 0.347 4.485 4.120 0.030 0.000 0.267 163 V C -1.334 174.840 176.094 0.133 0.000 1.040 163 V CA -1.589 60.790 62.300 0.131 0.000 0.866 163 V CB 1.299 33.162 31.823 0.067 0.000 1.019 163 V HN 0.241 nan 8.190 nan 0.000 0.468 164 P HA -0.084 nan 4.420 nan 0.000 0.264 164 P C 1.052 178.424 177.300 0.121 0.000 1.173 164 P CA 0.400 63.581 63.100 0.134 0.000 0.761 164 P CB 0.673 32.470 31.700 0.161 0.000 0.794 165 E N 5.578 125.826 120.200 0.080 0.000 2.070 165 E HA -0.196 4.173 4.350 0.030 0.000 0.197 165 E C -0.890 175.755 176.600 0.074 0.000 1.004 165 E CA 2.275 58.716 56.400 0.068 0.000 0.805 165 E CB -1.862 27.868 29.700 0.050 0.000 0.744 165 E HN 0.350 nan 8.360 nan 0.000 0.451 166 P HA -0.089 nan 4.420 nan 0.000 0.222 166 P C 0.224 177.548 177.300 0.041 0.000 1.142 166 P CA 1.446 64.577 63.100 0.052 0.000 0.788 166 P CB -0.042 31.692 31.700 0.057 0.000 0.767 167 D N -2.342 118.106 120.400 0.080 0.000 2.392 167 D HA 0.083 4.741 4.640 0.030 0.000 0.206 167 D C 1.850 178.183 176.300 0.055 0.000 1.046 167 D CA 0.204 54.219 54.000 0.024 0.000 0.865 167 D CB -0.218 40.682 40.800 0.167 0.000 0.969 167 D HN 0.107 nan 8.370 nan 0.000 0.509 168 R N 1.375 121.969 120.500 0.157 0.000 2.080 168 R HA -0.061 4.297 4.340 0.030 0.000 0.236 168 R C 2.254 178.700 176.300 0.242 0.000 1.137 168 R CA 1.528 57.774 56.100 0.243 0.000 0.943 168 R CB -0.503 29.885 30.300 0.147 0.000 0.846 168 R HN 0.081 nan 8.270 nan 0.000 0.431 169 A N 1.512 124.414 122.820 0.137 0.000 2.054 169 A HA -0.267 4.071 4.320 0.030 0.000 0.223 169 A C 2.377 179.877 177.584 -0.140 0.000 1.169 169 A CA 1.976 54.044 52.037 0.051 0.000 0.655 169 A CB -0.788 18.175 19.000 -0.061 0.000 0.812 169 A HN 0.487 nan 8.150 nan 0.000 0.462 170 A N -0.757 121.856 122.820 -0.345 0.000 1.851 170 A HA -0.056 4.282 4.320 0.030 0.000 0.216 170 A C 1.894 178.841 177.584 -1.061 0.000 1.195 170 A CA 1.660 53.133 52.037 -0.939 0.000 0.622 170 A CB -0.963 17.224 19.000 -1.355 0.000 0.831 170 A HN 0.509 nan 8.150 nan 0.000 0.444 171 F N -0.124 119.503 119.950 -0.538 0.000 2.147 171 F HA -0.266 4.279 4.527 0.029 0.000 0.301 171 F C 2.436 178.318 175.800 0.138 0.000 1.084 171 F CA 2.004 60.023 58.000 0.032 0.000 1.268 171 F CB -0.435 38.694 39.000 0.215 0.000 1.009 171 F HN 0.237 nan 8.300 nan 0.000 0.486 172 R N 0.631 121.364 120.500 0.389 0.000 2.094 172 R HA -0.194 4.164 4.340 0.030 0.000 0.239 172 R C 2.133 178.469 176.300 0.061 0.000 1.137 172 R CA 2.204 58.566 56.100 0.437 0.000 0.943 172 R CB -0.702 29.677 30.300 0.132 0.000 0.850 172 R HN 0.190 nan 8.270 nan 0.000 0.433 173 V N 0.024 119.827 119.914 -0.186 0.000 2.255 173 V HA -0.279 3.859 4.120 0.030 0.000 0.247 173 V C 2.279 178.254 176.094 -0.197 0.000 1.051 173 V CA 1.923 64.072 62.300 -0.251 0.000 1.018 173 V CB -0.765 30.827 31.823 -0.385 0.000 0.641 173 V HN 0.476 nan 8.190 nan 0.000 0.445 174 W N 0.558 121.692 121.300 -0.277 0.000 2.321 174 W HA -0.169 4.507 4.660 0.027 0.000 0.306 174 W C 2.619 178.618 176.519 -0.867 0.000 1.217 174 W CA 1.809 58.757 57.345 -0.662 0.000 1.257 174 W CB -1.973 27.126 29.460 -0.603 0.000 1.145 174 W HN 0.286 nan 8.180 nan 0.000 0.509 175 T N 0.604 115.145 114.554 -0.023 0.000 2.555 175 T HA -0.214 4.154 4.350 0.030 0.000 0.264 175 T C 1.358 176.063 174.700 0.008 0.000 1.083 175 T CA 2.050 64.230 62.100 0.134 0.000 1.179 175 T CB -0.734 68.284 68.868 0.250 0.000 0.863 175 T HN 0.047 nan 8.240 nan 0.000 0.412 176 D N 1.364 121.740 120.400 -0.039 0.000 2.133 176 D HA -0.134 4.524 4.640 0.030 0.000 0.192 176 D C 2.372 178.618 176.300 -0.089 0.000 1.001 176 D CA 1.462 55.403 54.000 -0.099 0.000 0.844 176 D CB -0.400 40.341 40.800 -0.098 0.000 0.944 176 D HN 0.421 nan 8.370 nan 0.000 0.447 177 A N 0.492 123.248 122.820 -0.107 0.000 1.940 177 A HA -0.161 4.177 4.320 0.030 0.000 0.219 177 A C 2.161 179.784 177.584 0.065 0.000 1.176 177 A CA 1.032 53.029 52.037 -0.067 0.000 0.631 177 A CB -1.084 17.845 19.000 -0.119 0.000 0.814 177 A HN 0.248 nan 8.150 nan 0.000 0.446 178 F N -0.919 119.073 119.950 0.071 0.000 2.325 178 F HA -0.110 4.433 4.527 0.026 0.000 0.299 178 F C 2.212 178.022 175.800 0.017 0.000 1.090 178 F CA 0.625 58.658 58.000 0.056 0.000 1.392 178 F CB 0.080 39.137 39.000 0.096 0.000 1.053 178 F HN 0.065 nan 8.300 nan 0.000 0.521 179 V N -0.528 119.472 119.914 0.143 0.000 2.403 179 V HA 0.006 4.144 4.120 0.030 0.000 0.239 179 V C 0.477 176.546 176.094 -0.040 0.000 1.041 179 V CA 1.521 63.826 62.300 0.009 0.000 1.051 179 V CB -0.411 31.328 31.823 -0.139 0.000 0.704 179 V HN 0.127 nan 8.190 nan 0.000 0.472 180 F N 2.379 122.268 119.950 -0.102 0.000 3.094 180 F HA 0.741 5.286 4.527 0.030 0.000 0.385 180 F C -3.046 172.748 175.800 -0.008 0.000 1.231 180 F CA -2.034 55.938 58.000 -0.046 0.000 1.207 180 F CB 0.193 39.145 39.000 -0.080 0.000 1.703 180 F HN 0.054 nan 8.300 nan 0.000 0.610 181 P HA 0.272 nan 4.420 nan 0.000 0.281 181 P C 0.162 177.483 177.300 0.035 0.000 1.264 181 P CA 0.073 63.189 63.100 0.027 0.000 0.824 181 P CB 1.610 33.337 31.700 0.045 0.000 1.092 182 D N 0.057 120.473 120.400 0.027 0.000 2.389 182 D HA -0.131 4.527 4.640 0.030 0.000 0.221 182 D C -0.328 175.991 176.300 0.032 0.000 0.974 182 D CA 0.878 54.895 54.000 0.028 0.000 0.923 182 D CB -0.414 40.396 40.800 0.017 0.000 0.892 182 D HN 0.576 nan 8.370 nan 0.000 0.518 183 D N -3.841 116.580 120.400 0.036 0.000 2.751 183 D HA 0.110 4.768 4.640 0.030 0.000 0.236 183 D C -2.735 173.593 176.300 0.047 0.000 1.196 183 D CA -1.333 52.690 54.000 0.039 0.000 0.741 183 D CB 0.733 41.551 40.800 0.031 0.000 1.474 183 D HN -0.370 nan 8.370 nan 0.000 0.452 184 P HA -0.155 nan 4.420 nan 0.000 0.218 184 P C 1.296 178.629 177.300 0.054 0.000 1.146 184 P CA 2.287 65.423 63.100 0.060 0.000 0.813 184 P CB 0.095 31.830 31.700 0.057 0.000 0.778 185 A N -0.428 122.417 122.820 0.042 0.000 1.940 185 A HA -0.288 4.050 4.320 0.030 0.000 0.219 185 A C 2.377 179.986 177.584 0.041 0.000 1.176 185 A CA 1.766 53.824 52.037 0.035 0.000 0.631 185 A CB -1.305 17.711 19.000 0.026 0.000 0.814 185 A HN 0.210 nan 8.150 nan 0.000 0.446 186 Q N -0.502 119.325 119.800 0.045 0.000 2.020 186 Q HA -0.154 4.205 4.340 0.030 0.000 0.202 186 Q C 2.258 178.301 176.000 0.073 0.000 0.982 186 Q CA 1.779 57.610 55.803 0.048 0.000 0.838 186 Q CB -0.411 28.350 28.738 0.038 0.000 0.899 186 Q HN 0.594 nan 8.270 nan 0.000 0.423 187 A N 0.819 123.700 122.820 0.101 0.000 1.903 187 A HA -0.291 4.047 4.320 0.030 0.000 0.219 187 A C 2.040 179.728 177.584 0.173 0.000 1.191 187 A CA 1.918 54.068 52.037 0.187 0.000 0.638 187 A CB -0.782 18.336 19.000 0.196 0.000 0.823 187 A HN 0.500 nan 8.150 nan 0.000 0.451 188 Q N -0.812 119.040 119.800 0.087 0.000 2.124 188 Q HA -0.124 4.235 4.340 0.030 0.000 0.202 188 Q C 2.131 178.150 176.000 0.031 0.000 0.977 188 Q CA 1.987 57.814 55.803 0.040 0.000 0.850 188 Q CB -1.090 27.655 28.738 0.013 0.000 0.901 188 Q HN 0.690 nan 8.270 nan 0.000 0.429 189 T N 1.088 115.665 114.554 0.039 0.000 2.951 189 T HA 0.014 4.383 4.350 0.030 0.000 0.268 189 T C 1.796 176.507 174.700 0.019 0.000 1.073 189 T CA 0.988 63.104 62.100 0.026 0.000 1.134 189 T CB -0.061 68.829 68.868 0.037 0.000 0.884 189 T HN 0.385 nan 8.240 nan 0.000 0.479 190 A N 1.088 123.937 122.820 0.050 0.000 1.929 190 A HA 0.070 4.409 4.320 0.030 0.000 0.216 190 A C 2.257 179.742 177.584 -0.165 0.000 1.176 190 A CA 1.076 53.091 52.037 -0.037 0.000 0.628 190 A CB -0.516 18.458 19.000 -0.044 0.000 0.816 190 A HN 0.419 nan 8.150 nan 0.000 0.444 191 M N -0.559 119.096 119.600 0.091 0.000 2.099 191 M HA -0.100 4.398 4.480 0.030 0.000 0.262 191 M C 2.557 178.756 176.300 -0.168 0.000 1.067 191 M CA 1.460 56.754 55.300 -0.011 0.000 1.124 191 M CB -0.359 32.202 32.600 -0.066 0.000 1.353 191 M HN 0.450 nan 8.290 nan 0.000 0.410 192 A N 0.139 122.884 122.820 -0.125 0.000 1.940 192 A HA -0.204 4.134 4.320 0.030 0.000 0.219 192 A C 1.909 179.399 177.584 -0.156 0.000 1.176 192 A CA 1.878 53.844 52.037 -0.117 0.000 0.631 192 A CB -0.741 18.219 19.000 -0.066 0.000 0.814 192 A HN 0.542 nan 8.150 nan 0.000 0.446 193 E N -1.126 118.949 120.200 -0.208 0.000 2.031 193 E HA -0.210 4.158 4.350 0.030 0.000 0.193 193 E C 2.091 178.370 176.600 -0.536 0.000 0.994 193 E CA 1.487 57.756 56.400 -0.218 0.000 0.800 193 E CB -0.246 29.436 29.700 -0.031 0.000 0.752 193 E HN 0.726 nan 8.360 nan 0.000 0.447 194 M N 0.462 119.394 119.600 -1.113 0.000 2.175 194 M HA -0.172 4.327 4.480 0.030 0.000 0.264 194 M C 2.412 178.489 176.300 -0.371 0.000 1.063 194 M CA 1.345 55.920 55.300 -1.207 0.000 1.119 194 M CB 0.015 31.988 32.600 -1.044 0.000 1.377 194 M HN 0.021 nan 8.290 nan 0.000 0.415 195 S N -0.002 115.543 115.700 -0.259 0.000 2.356 195 S HA -0.097 4.391 4.470 0.030 0.000 0.223 195 S C 1.953 176.509 174.600 -0.074 0.000 1.032 195 S CA 1.701 59.822 58.200 -0.131 0.000 1.005 195 S CB -0.922 62.199 63.200 -0.133 0.000 0.867 195 S HN 0.694 nan 8.310 nan 0.000 0.449 196 G N -0.192 108.568 108.800 -0.067 0.000 2.440 196 G HA2 -0.230 3.749 3.960 0.030 0.000 0.218 196 G HA3 -0.230 3.749 3.960 0.030 0.000 0.218 196 G C 1.321 176.248 174.900 0.045 0.000 1.154 196 G CA 1.110 46.205 45.100 -0.008 0.000 0.767 196 G HN 0.628 nan 8.290 nan 0.000 0.552 197 Y N 1.442 121.712 120.300 -0.049 0.000 2.070 197 Y HA -0.099 4.469 4.550 0.031 0.000 0.280 197 Y C 2.662 178.600 175.900 0.065 0.000 1.148 197 Y CA 1.569 59.689 58.100 0.034 0.000 1.125 197 Y CB -0.600 37.907 38.460 0.077 0.000 0.975 197 Y HN 0.113 nan 8.280 nan 0.000 0.492 198 L N -0.732 120.423 121.223 -0.114 0.000 2.081 198 L HA -0.303 4.055 4.340 0.030 0.000 0.212 198 L C 2.559 179.344 176.870 -0.141 0.000 1.080 198 L CA 1.697 56.451 54.840 -0.144 0.000 0.754 198 L CB -0.955 41.136 42.059 0.054 0.000 0.893 198 L HN 0.171 nan 8.230 nan 0.000 0.433 199 S N -0.658 114.990 115.700 -0.085 0.000 2.382 199 S HA -0.145 4.343 4.470 0.030 0.000 0.228 199 S C 2.084 176.639 174.600 -0.075 0.000 1.027 199 S CA 1.191 59.353 58.200 -0.062 0.000 0.991 199 S CB -0.132 63.044 63.200 -0.039 0.000 0.823 199 S HN 0.385 nan 8.310 nan 0.000 0.469 200 R N 0.205 120.644 120.500 -0.102 0.000 2.062 200 R HA 0.077 4.436 4.340 0.030 0.000 0.226 200 R C 2.308 178.531 176.300 -0.127 0.000 1.125 200 R CA 0.883 56.934 56.100 -0.082 0.000 0.966 200 R CB -0.649 29.633 30.300 -0.030 0.000 0.861 200 R HN 0.262 nan 8.270 nan 0.000 0.433 201 L N 1.465 122.519 121.223 -0.281 0.000 2.081 201 L HA -0.166 4.192 4.340 0.030 0.000 0.212 201 L C 1.984 178.787 176.870 -0.111 0.000 1.080 201 L CA 1.628 56.321 54.840 -0.245 0.000 0.754 201 L CB -0.224 41.571 42.059 -0.440 0.000 0.893 201 L HN 0.143 nan 8.230 nan 0.000 0.433 202 I N -0.743 119.767 120.570 -0.099 0.000 2.202 202 I HA -0.268 3.920 4.170 0.030 0.000 0.242 202 I C 1.906 178.004 176.117 -0.033 0.000 1.091 202 I CA 1.432 62.704 61.300 -0.047 0.000 1.368 202 I CB -0.396 37.582 38.000 -0.036 0.000 1.058 202 I HN 0.227 nan 8.210 nan 0.000 0.410 203 D N 0.116 120.494 120.400 -0.036 0.000 2.178 203 D HA -0.151 4.507 4.640 0.030 0.000 0.202 203 D C 2.324 178.616 176.300 -0.014 0.000 0.974 203 D CA 1.454 55.441 54.000 -0.021 0.000 0.841 203 D CB -0.082 40.706 40.800 -0.019 0.000 0.953 203 D HN 0.295 nan 8.370 nan 0.000 0.478 204 S N -0.449 115.239 115.700 -0.019 0.000 2.481 204 S HA -0.050 4.438 4.470 0.030 0.000 0.231 204 S C 1.607 176.207 174.600 0.000 0.000 0.996 204 S CA 0.530 58.727 58.200 -0.005 0.000 0.942 204 S CB 0.045 63.245 63.200 -0.001 0.000 0.768 204 S HN 0.011 nan 8.310 nan 0.000 0.520 205 K N 0.986 121.383 120.400 -0.005 0.000 2.323 205 K HA 0.202 4.540 4.320 0.030 0.000 0.197 205 K C 0.907 177.507 176.600 -0.000 0.000 1.043 205 K CA -0.022 56.265 56.287 0.000 0.000 0.997 205 K CB -0.192 32.308 32.500 -0.000 0.000 0.807 205 K HN 0.435 nan 8.250 nan 0.000 0.497 206 R N 0.577 121.075 120.500 -0.002 0.000 2.449 206 R HA 0.100 4.458 4.340 0.030 0.000 0.296 206 R C 0.675 176.975 176.300 -0.000 0.000 1.047 206 R CA 1.189 57.288 56.100 -0.002 0.000 1.018 206 R CB -0.016 30.281 30.300 -0.004 0.000 0.962 206 R HN 0.417 nan 8.270 nan 0.000 0.428 207 G N 2.379 111.179 108.800 0.000 0.000 2.199 207 G HA2 -0.243 3.735 3.960 0.030 0.000 0.254 207 G HA3 -0.243 3.735 3.960 0.030 0.000 0.254 207 G C -0.037 174.865 174.900 0.002 0.000 0.982 207 G CA 0.095 45.195 45.100 0.001 0.000 0.632 207 G HN 0.565 nan 8.290 nan 0.000 0.529 208 Q N 0.275 120.077 119.800 0.003 0.000 2.222 208 Q HA 0.527 4.885 4.340 0.030 0.000 0.211 208 Q C -0.460 175.541 176.000 0.002 0.000 1.013 208 Q CA -0.279 55.526 55.803 0.004 0.000 0.993 208 Q CB 0.596 29.337 28.738 0.006 0.000 1.151 208 Q HN 0.243 nan 8.270 nan 0.000 0.544 209 D N 0.290 120.691 120.400 0.002 0.000 3.010 209 D HA 0.249 4.907 4.640 0.030 0.000 0.347 209 D C -0.047 176.253 176.300 -0.001 0.000 1.340 209 D CA -0.068 53.932 54.000 -0.000 0.000 0.858 209 D CB 0.277 41.077 40.800 -0.000 0.000 1.111 209 D HN 0.549 nan 8.370 nan 0.000 0.482 210 G N 0.234 109.034 108.800 0.000 0.000 2.483 210 G HA2 0.105 4.083 3.960 0.030 0.000 0.248 210 G HA3 0.105 4.083 3.960 0.030 0.000 0.248 210 G C 0.635 175.532 174.900 -0.005 0.000 1.248 210 G CA -0.082 45.018 45.100 -0.000 0.000 0.838 210 G HN -0.053 nan 8.290 nan 0.000 0.566 211 E N -0.050 120.145 120.200 -0.008 0.000 2.496 211 E HA 0.138 4.507 4.350 0.030 0.000 0.200 211 E C 0.249 176.837 176.600 -0.019 0.000 1.016 211 E CA -0.330 56.062 56.400 -0.014 0.000 0.962 211 E CB -0.074 29.617 29.700 -0.016 0.000 1.071 211 E HN 0.731 nan 8.360 nan 0.000 0.457 212 D N -1.646 118.745 120.400 -0.014 0.000 2.383 212 D HA 0.024 4.682 4.640 0.030 0.000 0.248 212 D C 1.223 177.512 176.300 -0.019 0.000 1.170 212 D CA -0.632 53.358 54.000 -0.017 0.000 0.977 212 D CB 0.882 41.678 40.800 -0.006 0.000 1.120 212 D HN -0.050 nan 8.370 nan 0.000 0.481 213 L N 0.731 121.939 121.223 -0.024 0.000 2.017 213 L HA -0.099 4.259 4.340 0.030 0.000 0.208 213 L C 1.749 178.623 176.870 0.007 0.000 1.073 213 L CA 1.526 56.354 54.840 -0.019 0.000 0.745 213 L CB -0.830 41.215 42.059 -0.022 0.000 0.894 213 L HN 0.659 nan 8.230 nan 0.000 0.432 214 L N -0.921 120.311 121.223 0.016 0.000 2.012 214 L HA -0.223 4.135 4.340 0.030 0.000 0.210 214 L C 2.442 179.319 176.870 0.013 0.000 1.073 214 L CA 2.193 57.047 54.840 0.022 0.000 0.748 214 L CB -0.961 41.112 42.059 0.025 0.000 0.891 214 L HN 0.411 nan 8.230 nan 0.000 0.431 215 S N 0.212 115.916 115.700 0.006 0.000 2.359 215 S HA -0.194 4.294 4.470 0.030 0.000 0.224 215 S C 2.114 176.715 174.600 0.001 0.000 1.035 215 S CA 1.373 59.574 58.200 0.002 0.000 1.018 215 S CB -0.413 62.787 63.200 -0.000 0.000 0.876 215 S HN 0.657 nan 8.310 nan 0.000 0.448 216 A N 1.413 124.231 122.820 -0.002 0.000 1.883 216 A HA -0.072 4.266 4.320 0.030 0.000 0.217 216 A C 2.159 179.745 177.584 0.003 0.000 1.186 216 A CA 1.362 53.397 52.037 -0.004 0.000 0.624 216 A CB -0.832 18.160 19.000 -0.012 0.000 0.822 216 A HN 0.455 nan 8.150 nan 0.000 0.444 217 L N -0.544 120.686 121.223 0.011 0.000 2.046 217 L HA -0.173 4.185 4.340 0.030 0.000 0.208 217 L C 2.537 179.416 176.870 0.014 0.000 1.077 217 L CA 1.143 55.994 54.840 0.019 0.000 0.747 217 L CB -0.548 41.529 42.059 0.032 0.000 0.896 217 L HN 0.265 nan 8.230 nan 0.000 0.432 218 V N -0.335 119.586 119.914 0.010 0.000 2.343 218 V HA -0.290 3.848 4.120 0.030 0.000 0.247 218 V C 2.578 178.674 176.094 0.004 0.000 1.051 218 V CA 1.739 64.042 62.300 0.006 0.000 1.036 218 V CB -0.609 31.215 31.823 0.002 0.000 0.654 218 V HN 0.369 nan 8.190 nan 0.000 0.451 219 R N -0.267 120.235 120.500 0.003 0.000 2.115 219 R HA -0.103 4.256 4.340 0.030 0.000 0.230 219 R C 2.431 178.733 176.300 0.002 0.000 1.111 219 R CA 1.813 57.914 56.100 0.001 0.000 0.976 219 R CB -0.652 29.648 30.300 -0.000 0.000 0.870 219 R HN 0.526 nan 8.270 nan 0.000 0.445 220 T N -0.708 113.849 114.554 0.005 0.000 2.737 220 T HA -0.142 4.226 4.350 0.030 0.000 0.265 220 T C 1.834 176.538 174.700 0.006 0.000 1.038 220 T CA 1.620 63.723 62.100 0.006 0.000 1.144 220 T CB -0.337 68.537 68.868 0.010 0.000 0.866 220 T HN 0.197 nan 8.240 nan 0.000 0.434 221 S N 0.741 116.446 115.700 0.007 0.000 2.419 221 S HA -0.157 4.331 4.470 0.030 0.000 0.235 221 S C 1.542 176.143 174.600 0.002 0.000 1.019 221 S CA 1.166 59.370 58.200 0.005 0.000 0.982 221 S CB -0.466 62.737 63.200 0.005 0.000 0.789 221 S HN 0.394 nan 8.310 nan 0.000 0.490 222 D N 0.517 120.918 120.400 0.001 0.000 2.305 222 D HA 0.041 4.699 4.640 0.030 0.000 0.206 222 D C 1.640 177.940 176.300 0.000 0.000 0.974 222 D CA 0.484 54.484 54.000 -0.000 0.000 0.871 222 D CB -0.146 40.653 40.800 -0.001 0.000 0.947 222 D HN 0.583 nan 8.370 nan 0.000 0.516 223 E N 0.245 120.446 120.200 0.001 0.000 2.358 223 E HA -0.014 4.354 4.350 0.030 0.000 0.195 223 E C -0.303 176.298 176.600 0.002 0.000 1.010 223 E CA 0.590 56.991 56.400 0.001 0.000 0.856 223 E CB 0.471 30.172 29.700 0.002 0.000 0.795 223 E HN 0.080 nan 8.360 nan 0.000 0.504 224 D N -0.788 119.614 120.400 0.002 0.000 2.419 224 D HA 0.065 4.723 4.640 0.030 0.000 0.219 224 D C -0.421 175.881 176.300 0.003 0.000 1.349 224 D CA -0.141 53.861 54.000 0.003 0.000 0.964 224 D CB 1.424 42.227 40.800 0.005 0.000 1.463 224 D HN 0.083 nan 8.370 nan 0.000 0.573 225 G N 0.524 109.325 108.800 0.001 0.000 3.352 225 G HA2 0.089 4.067 3.960 0.030 0.000 0.236 225 G HA3 0.089 4.067 3.960 0.030 0.000 0.236 225 G C 0.931 175.832 174.900 0.001 0.000 1.324 225 G CA 0.474 45.573 45.100 -0.001 0.000 1.404 225 G HN 0.314 nan 8.290 nan 0.000 0.542 226 S N -0.670 115.033 115.700 0.005 0.000 3.171 226 S HA 0.082 4.570 4.470 0.030 0.000 0.258 226 S C 2.119 176.727 174.600 0.013 0.000 1.083 226 S CA -0.117 58.088 58.200 0.009 0.000 0.801 226 S CB -0.011 63.195 63.200 0.009 0.000 0.831 226 S HN 0.325 nan 8.310 nan 0.000 0.462 227 R N -0.038 120.470 120.500 0.012 0.000 2.115 227 R HA 0.160 4.518 4.340 0.030 0.000 0.230 227 R C -0.479 175.832 176.300 0.019 0.000 1.111 227 R CA 0.926 57.035 56.100 0.015 0.000 0.976 227 R CB -0.087 30.220 30.300 0.012 0.000 0.870 227 R HN 0.347 nan 8.270 nan 0.000 0.445 228 L N 0.641 121.873 121.223 0.016 0.000 2.753 228 L HA 0.132 4.490 4.340 0.030 0.000 0.259 228 L C -0.202 176.673 176.870 0.008 0.000 0.958 228 L CA -0.290 54.561 54.840 0.018 0.000 0.955 228 L CB 1.583 43.654 42.059 0.021 0.000 1.317 228 L HN 0.053 nan 8.230 nan 0.000 0.436 229 T N 0.132 114.686 114.554 0.000 0.000 2.833 229 T HA 0.409 4.777 4.350 0.030 0.000 0.292 229 T C 1.367 176.050 174.700 -0.029 0.000 1.031 229 T CA 0.234 62.322 62.100 -0.020 0.000 0.937 229 T CB 0.736 69.581 68.868 -0.039 0.000 1.256 229 T HN 0.734 nan 8.240 nan 0.000 0.551 230 S N 0.914 116.587 115.700 -0.046 0.000 2.359 230 S HA -0.229 4.259 4.470 0.030 0.000 0.222 230 S C 1.750 176.314 174.600 -0.059 0.000 1.038 230 S CA 1.657 59.828 58.200 -0.049 0.000 1.051 230 S CB -1.084 62.082 63.200 -0.056 0.000 0.944 230 S HN 0.827 nan 8.310 nan 0.000 0.433 231 E N 1.642 121.772 120.200 -0.116 0.000 2.150 231 E HA -0.043 4.325 4.350 0.030 0.000 0.193 231 E C 2.112 178.692 176.600 -0.034 0.000 0.985 231 E CA 1.286 57.605 56.400 -0.135 0.000 0.814 231 E CB -0.308 29.160 29.700 -0.387 0.000 0.752 231 E HN 0.739 nan 8.360 nan 0.000 0.466 232 E N 0.157 120.346 120.200 -0.017 0.000 2.107 232 E HA -0.129 4.239 4.350 0.030 0.000 0.191 232 E C 1.902 178.539 176.600 0.062 0.000 0.982 232 E CA 0.544 56.984 56.400 0.066 0.000 0.809 232 E CB -0.054 29.683 29.700 0.063 0.000 0.756 232 E HN 0.126 nan 8.360 nan 0.000 0.459 233 L N 1.067 122.310 121.223 0.033 0.000 2.056 233 L HA -0.107 4.251 4.340 0.030 0.000 0.207 233 L C 2.099 178.999 176.870 0.050 0.000 1.078 233 L CA 1.308 56.170 54.840 0.037 0.000 0.749 233 L CB -0.392 41.677 42.059 0.018 0.000 0.901 233 L HN 0.141 nan 8.230 nan 0.000 0.433 234 L N -0.166 121.081 121.223 0.039 0.000 2.141 234 L HA 0.090 4.448 4.340 0.030 0.000 0.209 234 L C 2.191 179.122 176.870 0.102 0.000 1.094 234 L CA 1.915 56.786 54.840 0.051 0.000 0.763 234 L CB -1.337 40.730 42.059 0.014 0.000 0.908 234 L HN 0.279 nan 8.230 nan 0.000 0.437 235 G N -0.805 108.062 108.800 0.111 0.000 2.403 235 G HA2 -0.254 3.724 3.960 0.030 0.000 0.216 235 G HA3 -0.254 3.724 3.960 0.030 0.000 0.216 235 G C 1.568 176.578 174.900 0.183 0.000 1.154 235 G CA 0.803 46.005 45.100 0.170 0.000 0.784 235 G HN 0.402 nan 8.290 nan 0.000 0.538 236 M N 0.626 120.302 119.600 0.127 0.000 2.254 236 M HA 0.242 4.740 4.480 0.030 0.000 0.265 236 M C 2.753 179.112 176.300 0.098 0.000 1.066 236 M CA 1.214 56.574 55.300 0.101 0.000 1.123 236 M CB 0.054 32.704 32.600 0.084 0.000 1.388 236 M HN 0.272 nan 8.290 nan 0.000 0.425 237 A N -0.514 122.375 122.820 0.115 0.000 1.858 237 A HA -0.250 4.088 4.320 0.030 0.000 0.216 237 A C 2.092 179.766 177.584 0.149 0.000 1.190 237 A CA 2.025 54.135 52.037 0.121 0.000 0.617 237 A CB -1.380 17.693 19.000 0.122 0.000 0.827 237 A HN 0.706 nan 8.150 nan 0.000 0.443 238 H N -0.760 118.378 119.070 0.113 0.000 2.289 238 H HA -0.168 4.405 4.556 0.029 0.000 0.296 238 H C 2.008 177.402 175.328 0.110 0.000 1.091 238 H CA 2.145 58.272 56.048 0.132 0.000 1.274 238 H CB -0.243 29.567 29.762 0.079 0.000 1.364 238 H HN 0.345 nan 8.280 nan 0.000 0.490 239 I N 1.131 121.534 120.570 -0.279 0.000 2.394 239 I HA -0.179 4.009 4.170 0.030 0.000 0.251 239 I C 2.415 178.429 176.117 -0.172 0.000 1.136 239 I CA 0.819 61.925 61.300 -0.324 0.000 1.425 239 I CB -0.350 37.601 38.000 -0.082 0.000 1.079 239 I HN 0.274 nan 8.210 nan 0.000 0.425 240 L N -0.922 120.253 121.223 -0.080 0.000 2.395 240 L HA -0.075 4.283 4.340 0.030 0.000 0.218 240 L C 2.052 178.894 176.870 -0.048 0.000 1.130 240 L CA 0.680 55.481 54.840 -0.065 0.000 0.826 240 L CB -0.316 41.762 42.059 0.032 0.000 0.941 240 L HN 0.242 nan 8.230 nan 0.000 0.451 241 L N -1.971 119.226 121.223 -0.043 0.000 2.408 241 L HA 0.009 4.367 4.340 0.030 0.000 0.215 241 L C 2.088 178.968 176.870 0.017 0.000 1.081 241 L CA 0.046 54.857 54.840 -0.049 0.000 0.840 241 L CB 0.196 42.228 42.059 -0.045 0.000 1.002 241 L HN -0.030 nan 8.230 nan 0.000 0.468 242 V N -0.406 119.509 119.914 0.001 0.000 2.436 242 V HA 0.015 4.154 4.120 0.030 0.000 0.240 242 V C 2.616 178.741 176.094 0.052 0.000 1.040 242 V CA 1.337 63.687 62.300 0.083 0.000 1.052 242 V CB -0.314 31.471 31.823 -0.063 0.000 0.707 242 V HN 0.344 nan 8.190 nan 0.000 0.469 243 A N 0.572 123.360 122.820 -0.054 0.000 1.958 243 A HA -0.153 4.185 4.320 0.030 0.000 0.221 243 A C 1.996 179.589 177.584 0.016 0.000 1.178 243 A CA 2.131 54.151 52.037 -0.027 0.000 0.642 243 A CB -0.851 18.109 19.000 -0.066 0.000 0.816 243 A HN 0.621 nan 8.150 nan 0.000 0.453 244 G N -3.080 105.732 108.800 0.021 0.000 3.605 244 G HA2 0.324 4.302 3.960 0.030 0.000 0.277 244 G HA3 0.324 4.302 3.960 0.030 0.000 0.277 244 G C 0.709 175.675 174.900 0.110 0.000 1.093 244 G CA 0.549 45.677 45.100 0.047 0.000 0.821 244 G HN 0.744 nan 8.290 nan 0.000 0.532 245 H N 0.684 119.761 119.070 0.010 0.000 2.276 245 H HA -0.006 4.569 4.556 0.033 0.000 0.324 245 H C 2.378 177.726 175.328 0.033 0.000 1.093 245 H CA 0.768 56.821 56.048 0.008 0.000 1.539 245 H CB 0.429 30.222 29.762 0.051 0.000 1.479 245 H HN 0.268 nan 8.280 nan 0.000 0.582 246 E N 0.959 121.121 120.200 -0.063 0.000 2.265 246 E HA -0.135 4.234 4.350 0.030 0.000 0.196 246 E C 1.975 178.581 176.600 0.010 0.000 0.996 246 E CA 1.496 57.831 56.400 -0.107 0.000 0.832 246 E CB -0.675 28.977 29.700 -0.080 0.000 0.756 246 E HN 0.622 nan 8.360 nan 0.000 0.491 247 T N -0.236 114.344 114.554 0.044 0.000 2.668 247 T HA -0.135 4.234 4.350 0.030 0.000 0.262 247 T C 2.125 176.856 174.700 0.051 0.000 1.045 247 T CA 1.941 64.069 62.100 0.046 0.000 1.152 247 T CB -1.029 67.867 68.868 0.047 0.000 0.864 247 T HN 0.120 nan 8.240 nan 0.000 0.419 248 T N 1.955 116.551 114.554 0.070 0.000 2.746 248 T HA -0.047 4.321 4.350 0.030 0.000 0.267 248 T C 2.190 176.929 174.700 0.065 0.000 1.039 248 T CA 1.183 63.327 62.100 0.074 0.000 1.142 248 T CB -0.744 68.172 68.868 0.079 0.000 0.866 248 T HN 0.220 nan 8.240 nan 0.000 0.444 249 V N 2.778 122.730 119.914 0.065 0.000 2.252 249 V HA -0.224 3.914 4.120 0.030 0.000 0.249 249 V C 2.330 178.464 176.094 0.067 0.000 1.056 249 V CA 1.718 64.057 62.300 0.064 0.000 1.022 249 V CB -0.548 31.303 31.823 0.046 0.000 0.641 249 V HN 0.507 nan 8.190 nan 0.000 0.445 250 N N -0.262 118.476 118.700 0.064 0.000 2.512 250 N HA -0.059 4.699 4.740 0.030 0.000 0.183 250 N C 1.554 177.110 175.510 0.076 0.000 1.073 250 N CA 0.762 53.858 53.050 0.077 0.000 0.911 250 N CB -0.035 38.508 38.487 0.095 0.000 0.964 250 N HN 0.418 nan 8.380 nan 0.000 0.447 251 L N 0.922 122.180 121.223 0.059 0.000 2.095 251 L HA 0.125 4.483 4.340 0.030 0.000 0.204 251 L C 1.854 178.761 176.870 0.062 0.000 1.080 251 L CA 1.170 56.038 54.840 0.047 0.000 0.759 251 L CB -0.465 41.611 42.059 0.027 0.000 0.914 251 L HN -0.030 nan 8.230 nan 0.000 0.439 252 I N -0.078 120.531 120.570 0.064 0.000 2.252 252 I HA -0.245 3.944 4.170 0.030 0.000 0.245 252 I C 2.597 178.757 176.117 0.072 0.000 1.102 252 I CA 1.133 62.473 61.300 0.067 0.000 1.385 252 I CB -0.740 37.298 38.000 0.062 0.000 1.064 252 I HN 0.359 nan 8.210 nan 0.000 0.414 253 A N 1.184 124.045 122.820 0.069 0.000 1.841 253 A HA -0.209 4.130 4.320 0.030 0.000 0.214 253 A C 2.065 179.706 177.584 0.095 0.000 1.195 253 A CA 2.053 54.125 52.037 0.059 0.000 0.611 253 A CB -0.822 18.189 19.000 0.019 0.000 0.835 253 A HN 0.364 nan 8.150 nan 0.000 0.443 254 N N 0.242 119.011 118.700 0.116 0.000 2.137 254 N HA -0.119 4.639 4.740 0.030 0.000 0.190 254 N C 1.707 177.315 175.510 0.163 0.000 1.017 254 N CA 1.617 54.790 53.050 0.206 0.000 0.859 254 N CB -0.692 37.916 38.487 0.203 0.000 1.002 254 N HN 0.495 nan 8.380 nan 0.000 0.428 255 G N 0.012 108.869 108.800 0.094 0.000 2.403 255 G HA2 -0.154 3.824 3.960 0.030 0.000 0.216 255 G HA3 -0.154 3.824 3.960 0.030 0.000 0.216 255 G C 1.422 176.341 174.900 0.033 0.000 1.154 255 G CA 0.425 45.553 45.100 0.047 0.000 0.784 255 G HN 0.110 nan 8.290 nan 0.000 0.538 256 M N -0.345 119.302 119.600 0.080 0.000 2.175 256 M HA 0.052 4.550 4.480 0.030 0.000 0.264 256 M C 2.283 178.646 176.300 0.104 0.000 1.063 256 M CA 0.550 55.902 55.300 0.087 0.000 1.119 256 M CB -1.155 31.502 32.600 0.095 0.000 1.377 256 M HN 0.386 nan 8.290 nan 0.000 0.415 257 Y N 1.358 121.664 120.300 0.011 0.000 2.145 257 Y HA -0.154 4.417 4.550 0.034 0.000 0.286 257 Y C 2.350 178.272 175.900 0.036 0.000 1.145 257 Y CA 1.866 59.985 58.100 0.031 0.000 1.148 257 Y CB -0.797 37.692 38.460 0.048 0.000 0.981 257 Y HN 0.177 nan 8.280 nan 0.000 0.507 258 A N 0.291 122.933 122.820 -0.297 0.000 1.883 258 A HA -0.203 4.135 4.320 0.030 0.000 0.217 258 A C 2.308 179.565 177.584 -0.545 0.000 1.186 258 A CA 1.950 53.623 52.037 -0.608 0.000 0.624 258 A CB -1.325 17.114 19.000 -0.935 0.000 0.822 258 A HN 0.571 nan 8.150 nan 0.000 0.444 259 L N -0.375 120.672 121.223 -0.294 0.000 2.005 259 L HA -0.047 4.311 4.340 0.030 0.000 0.207 259 L C 2.312 179.237 176.870 0.093 0.000 1.072 259 L CA 1.625 56.516 54.840 0.084 0.000 0.744 259 L CB -0.380 41.771 42.059 0.154 0.000 0.895 259 L HN 0.394 nan 8.230 nan 0.000 0.433 260 L N -0.575 120.676 121.223 0.047 0.000 2.191 260 L HA -0.160 4.198 4.340 0.030 0.000 0.212 260 L C 2.357 179.242 176.870 0.026 0.000 1.103 260 L CA 1.293 56.170 54.840 0.061 0.000 0.769 260 L CB -0.712 41.400 42.059 0.090 0.000 0.908 260 L HN 0.494 nan 8.230 nan 0.000 0.438 261 S N -2.771 112.897 115.700 -0.054 0.000 2.528 261 S HA -0.017 4.471 4.470 0.030 0.000 0.219 261 S C 0.420 174.890 174.600 -0.216 0.000 0.985 261 S CA -0.121 57.989 58.200 -0.150 0.000 0.914 261 S CB -0.237 62.721 63.200 -0.402 0.000 0.776 261 S HN 0.403 nan 8.310 nan 0.000 0.526 262 H N 1.680 120.721 119.070 -0.047 0.000 2.539 262 H HA 0.427 5.001 4.556 0.029 0.000 0.247 262 H C -2.209 173.153 175.328 0.056 0.000 1.363 262 H CA -1.857 54.212 56.048 0.035 0.000 1.371 262 H CB 1.002 30.862 29.762 0.164 0.000 1.438 262 H HN 0.114 nan 8.280 nan 0.000 0.523 263 P HA -0.240 nan 4.420 nan 0.000 0.217 263 P C 1.125 178.466 177.300 0.070 0.000 1.158 263 P CA 1.406 64.546 63.100 0.065 0.000 0.887 263 P CB 0.464 32.182 31.700 0.031 0.000 0.792 264 D N -1.287 119.152 120.400 0.064 0.000 2.149 264 D HA -0.170 4.488 4.640 0.030 0.000 0.198 264 D C 2.007 178.327 176.300 0.034 0.000 0.990 264 D CA 1.079 55.103 54.000 0.040 0.000 0.839 264 D CB -0.315 40.501 40.800 0.027 0.000 0.948 264 D HN 0.235 nan 8.370 nan 0.000 0.460 265 Q N 0.181 120.020 119.800 0.066 0.000 2.096 265 Q HA -0.032 4.327 4.340 0.030 0.000 0.197 265 Q C 2.337 178.376 176.000 0.065 0.000 0.964 265 Q CA 0.240 56.057 55.803 0.024 0.000 0.838 265 Q CB -0.612 28.140 28.738 0.024 0.000 0.906 265 Q HN 0.272 nan 8.270 nan 0.000 0.444 266 L N 0.564 121.857 121.223 0.116 0.000 2.191 266 L HA -0.000 4.358 4.340 0.030 0.000 0.212 266 L C 1.824 178.731 176.870 0.061 0.000 1.103 266 L CA 1.810 56.710 54.840 0.099 0.000 0.769 266 L CB -0.561 41.560 42.059 0.104 0.000 0.908 266 L HN 0.102 nan 8.230 nan 0.000 0.438 267 A N -0.957 121.891 122.820 0.047 0.000 1.984 267 A HA 0.260 4.598 4.320 0.030 0.000 0.214 267 A C 2.385 179.980 177.584 0.018 0.000 1.173 267 A CA 0.945 53.000 52.037 0.031 0.000 0.673 267 A CB -0.739 18.277 19.000 0.027 0.000 0.830 267 A HN 0.499 nan 8.150 nan 0.000 0.453 268 A N -0.008 122.817 122.820 0.008 0.000 1.841 268 A HA -0.023 4.315 4.320 0.030 0.000 0.214 268 A C 2.074 179.655 177.584 -0.005 0.000 1.195 268 A CA 1.674 53.707 52.037 -0.008 0.000 0.611 268 A CB -0.815 18.166 19.000 -0.031 0.000 0.835 268 A HN 0.583 nan 8.150 nan 0.000 0.443 269 L N 0.054 121.276 121.223 -0.000 0.000 2.043 269 L HA -0.195 4.163 4.340 0.030 0.000 0.212 269 L C 2.517 179.396 176.870 0.014 0.000 1.075 269 L CA 2.020 56.864 54.840 0.006 0.000 0.752 269 L CB -0.603 41.469 42.059 0.022 0.000 0.891 269 L HN 0.363 nan 8.230 nan 0.000 0.432 270 R N -0.863 119.650 120.500 0.022 0.000 2.103 270 R HA -0.152 4.206 4.340 0.030 0.000 0.242 270 R C 1.705 178.014 176.300 0.015 0.000 1.142 270 R CA 1.473 57.586 56.100 0.022 0.000 0.960 270 R CB -0.512 29.804 30.300 0.027 0.000 0.858 270 R HN 0.514 nan 8.270 nan 0.000 0.439 271 A N -0.523 122.304 122.820 0.010 0.000 2.423 271 A HA 0.049 4.387 4.320 0.030 0.000 0.246 271 A C 0.202 177.788 177.584 0.003 0.000 1.278 271 A CA -0.027 52.014 52.037 0.007 0.000 0.903 271 A CB 0.544 19.548 19.000 0.006 0.000 0.997 271 A HN 0.079 nan 8.150 nan 0.000 0.510 272 D N -0.307 120.094 120.400 0.002 0.000 3.078 272 D HA 0.134 4.792 4.640 0.030 0.000 0.363 272 D C 0.832 177.132 176.300 0.000 0.000 1.391 272 D CA -0.191 53.808 54.000 -0.002 0.000 0.754 272 D CB 0.224 41.019 40.800 -0.009 0.000 1.238 272 D HN 0.044 nan 8.370 nan 0.000 0.500 273 M N 0.167 119.770 119.600 0.005 0.000 2.514 273 M HA -0.120 4.379 4.480 0.030 0.000 0.259 273 M C 2.035 178.340 176.300 0.008 0.000 1.073 273 M CA 1.194 56.499 55.300 0.009 0.000 1.049 273 M CB -1.416 31.191 32.600 0.010 0.000 1.392 273 M HN 0.216 nan 8.290 nan 0.000 0.466 274 T N -2.734 111.822 114.554 0.004 0.000 2.995 274 T HA -0.035 4.333 4.350 0.030 0.000 0.269 274 T C 1.688 176.389 174.700 0.002 0.000 1.091 274 T CA 0.571 62.673 62.100 0.004 0.000 1.128 274 T CB -0.481 68.388 68.868 0.001 0.000 0.891 274 T HN 0.448 nan 8.240 nan 0.000 0.492 275 L N 0.641 121.862 121.223 -0.003 0.000 2.610 275 L HA 0.150 4.508 4.340 0.030 0.000 0.232 275 L C 2.491 179.359 176.870 -0.004 0.000 1.149 275 L CA -0.116 54.717 54.840 -0.012 0.000 0.872 275 L CB -0.761 41.282 42.059 -0.026 0.000 0.992 275 L HN 0.236 nan 8.230 nan 0.000 0.447 276 L N 0.929 122.158 121.223 0.009 0.000 1.957 276 L HA -0.329 4.029 4.340 0.030 0.000 0.228 276 L C 2.143 179.030 176.870 0.029 0.000 1.086 276 L CA 2.341 57.194 54.840 0.022 0.000 0.796 276 L CB -0.865 41.210 42.059 0.026 0.000 0.900 276 L HN 0.428 nan 8.230 nan 0.000 0.439 277 D N -0.448 119.971 120.400 0.033 0.000 2.191 277 D HA -0.236 4.422 4.640 0.030 0.000 0.190 277 D C 1.888 178.214 176.300 0.043 0.000 1.007 277 D CA 1.855 55.882 54.000 0.046 0.000 0.865 277 D CB -0.331 40.495 40.800 0.043 0.000 0.929 277 D HN 0.634 nan 8.370 nan 0.000 0.447 278 G N 0.715 109.526 108.800 0.018 0.000 2.422 278 G HA2 -0.063 3.915 3.960 0.030 0.000 0.218 278 G HA3 -0.063 3.915 3.960 0.030 0.000 0.218 278 G C 1.762 176.647 174.900 -0.025 0.000 1.140 278 G CA 1.040 46.139 45.100 -0.002 0.000 0.775 278 G HN 0.404 nan 8.290 nan 0.000 0.545 279 A N 0.222 123.031 122.820 -0.017 0.000 1.898 279 A HA 0.095 4.433 4.320 0.030 0.000 0.216 279 A C 2.547 180.166 177.584 0.057 0.000 1.181 279 A CA 1.687 53.719 52.037 -0.009 0.000 0.620 279 A CB -0.602 18.412 19.000 0.023 0.000 0.819 279 A HN 0.228 nan 8.150 nan 0.000 0.442 280 V N 0.227 120.178 119.914 0.063 0.000 2.515 280 V HA -0.154 3.984 4.120 0.030 0.000 0.250 280 V C 2.483 178.602 176.094 0.043 0.000 1.058 280 V CA 1.929 64.274 62.300 0.075 0.000 1.064 280 V CB -0.596 31.279 31.823 0.086 0.000 0.675 280 V HN 0.483 nan 8.190 nan 0.000 0.461 281 E N 0.028 120.249 120.200 0.035 0.000 2.150 281 E HA -0.210 4.158 4.350 0.030 0.000 0.193 281 E C 2.180 178.707 176.600 -0.121 0.000 0.985 281 E CA 1.194 57.591 56.400 -0.006 0.000 0.814 281 E CB -0.073 29.678 29.700 0.085 0.000 0.752 281 E HN 0.705 nan 8.360 nan 0.000 0.466 282 E N 0.246 120.411 120.200 -0.059 0.000 2.285 282 E HA -0.023 4.346 4.350 0.030 0.000 0.194 282 E C 1.948 178.601 176.600 0.088 0.000 0.997 282 E CA 0.577 56.939 56.400 -0.064 0.000 0.845 282 E CB -0.064 29.543 29.700 -0.156 0.000 0.782 282 E HN 0.152 nan 8.360 nan 0.000 0.491 283 M N -0.245 119.438 119.600 0.139 0.000 2.132 283 M HA -0.101 4.397 4.480 0.030 0.000 0.263 283 M C 1.997 178.290 176.300 -0.012 0.000 1.065 283 M CA 1.213 56.608 55.300 0.157 0.000 1.122 283 M CB -0.200 32.471 32.600 0.118 0.000 1.365 283 M HN 0.182 nan 8.290 nan 0.000 0.411 284 L N -0.656 120.468 121.223 -0.164 0.000 2.017 284 L HA -0.216 4.142 4.340 0.030 0.000 0.208 284 L C 2.823 179.442 176.870 -0.418 0.000 1.073 284 L CA 1.213 55.848 54.840 -0.341 0.000 0.745 284 L CB -0.748 40.942 42.059 -0.615 0.000 0.894 284 L HN 0.306 nan 8.230 nan 0.000 0.432 285 R N -0.543 119.629 120.500 -0.546 0.000 2.073 285 R HA -0.210 4.148 4.340 0.030 0.000 0.229 285 R C 2.386 178.459 176.300 -0.379 0.000 1.120 285 R CA 1.719 57.373 56.100 -0.742 0.000 0.967 285 R CB -0.557 29.335 30.300 -0.679 0.000 0.862 285 R HN 0.285 nan 8.270 nan 0.000 0.436 286 Y N 1.094 121.237 120.300 -0.262 0.000 2.184 286 Y HA -0.017 4.554 4.550 0.034 0.000 0.290 286 Y C 0.340 176.200 175.900 -0.068 0.000 1.129 286 Y CA 1.318 59.329 58.100 -0.149 0.000 1.144 286 Y CB 0.465 38.933 38.460 0.013 0.000 0.995 286 Y HN 0.011 nan 8.280 nan 0.000 0.513 287 E N 0.486 120.603 120.200 -0.139 0.000 3.909 287 E HA 0.249 4.617 4.350 0.030 0.000 0.236 287 E C -0.171 176.438 176.600 0.015 0.000 1.222 287 E CA 0.038 56.372 56.400 -0.110 0.000 1.205 287 E CB 0.320 29.960 29.700 -0.101 0.000 1.249 287 E HN 0.379 nan 8.360 nan 0.000 0.411 288 G N 2.176 110.990 108.800 0.022 0.000 2.594 288 G HA2 0.174 4.153 3.960 0.030 0.000 0.243 288 G HA3 0.174 4.153 3.960 0.030 0.000 0.243 288 G C -1.105 173.814 174.900 0.031 0.000 1.229 288 G CA -0.742 44.357 45.100 -0.001 0.000 0.843 288 G HN 0.018 nan 8.290 nan 0.000 0.578 289 P HA -0.066 nan 4.420 nan 0.000 0.217 289 P C 0.668 177.990 177.300 0.038 0.000 1.151 289 P CA 0.511 63.637 63.100 0.044 0.000 0.828 289 P CB 0.114 31.831 31.700 0.029 0.000 0.788 290 V N 2.270 122.188 119.914 0.006 0.000 2.405 290 V HA 0.056 4.194 4.120 0.030 0.000 0.264 290 V C 1.982 178.069 176.094 -0.012 0.000 1.048 290 V CA 0.348 62.651 62.300 0.006 0.000 0.966 290 V CB 0.224 32.042 31.823 -0.007 0.000 1.015 290 V HN 0.102 nan 8.190 nan 0.000 0.477 291 E N 3.246 123.444 120.200 -0.002 0.000 2.086 291 E HA 0.007 4.375 4.350 0.030 0.000 0.190 291 E C 0.473 177.027 176.600 -0.077 0.000 0.975 291 E CA 0.571 56.945 56.400 -0.043 0.000 0.813 291 E CB 0.402 30.099 29.700 -0.004 0.000 0.768 291 E HN 0.668 nan 8.360 nan 0.000 0.457 292 S N -0.155 115.534 115.700 -0.018 0.000 2.571 292 S HA 0.588 5.076 4.470 0.030 0.000 0.284 292 S C -0.701 173.902 174.600 0.005 0.000 1.128 292 S CA -0.560 57.629 58.200 -0.019 0.000 0.970 292 S CB 1.749 64.969 63.200 0.035 0.000 1.039 292 S HN 0.439 nan 8.310 nan 0.000 0.485 293 A N 2.455 125.261 122.820 -0.024 0.000 2.504 293 A HA 0.445 4.783 4.320 0.030 0.000 0.242 293 A C 0.942 178.540 177.584 0.023 0.000 1.100 293 A CA 0.177 52.204 52.037 -0.017 0.000 0.786 293 A CB -0.432 18.534 19.000 -0.057 0.000 1.050 293 A HN 0.885 nan 8.150 nan 0.000 0.512 294 T N -1.704 112.857 114.554 0.011 0.000 2.882 294 T HA 0.434 4.803 4.350 0.030 0.000 0.287 294 T C -0.152 174.578 174.700 0.051 0.000 1.014 294 T CA -0.412 61.725 62.100 0.062 0.000 1.049 294 T CB 0.070 68.936 68.868 -0.003 0.000 1.001 294 T HN 0.338 nan 8.240 nan 0.000 0.525 295 Y N 1.438 121.615 120.300 -0.206 0.000 2.944 295 Y HA 0.118 4.683 4.550 0.026 0.000 0.340 295 Y C 1.341 176.725 175.900 -0.860 0.000 1.275 295 Y CA 0.128 57.935 58.100 -0.488 0.000 1.590 295 Y CB -0.278 37.903 38.460 -0.466 0.000 1.218 295 Y HN 0.528 nan 8.280 nan 0.000 0.576 296 R N 3.394 123.419 120.500 -0.791 0.000 2.621 296 R HA 0.567 4.926 4.340 0.030 0.000 0.292 296 R C -1.701 174.156 176.300 -0.738 0.000 0.969 296 R CA -0.837 54.855 56.100 -0.680 0.000 0.887 296 R CB 1.540 31.689 30.300 -0.251 0.000 1.180 296 R HN 0.474 nan 8.270 nan 0.000 0.450 297 F N 3.351 123.265 119.950 -0.059 0.000 2.496 297 F HA 0.339 4.883 4.527 0.028 0.000 0.341 297 F C -1.925 173.794 175.800 -0.134 0.000 1.134 297 F CA -2.447 55.484 58.000 -0.115 0.000 0.968 297 F CB 1.868 40.748 39.000 -0.199 0.000 1.205 297 F HN 0.218 nan 8.300 nan 0.000 0.436 298 P HA -0.008 nan 4.420 nan 0.000 0.266 298 P C 0.702 177.886 177.300 -0.193 0.000 1.215 298 P CA 0.159 63.045 63.100 -0.357 0.000 0.763 298 P CB 1.753 33.167 31.700 -0.477 0.000 0.806 299 V N 1.219 121.018 119.914 -0.193 0.000 3.078 299 V HA -0.046 4.092 4.120 0.030 0.000 0.265 299 V C 1.340 177.358 176.094 -0.126 0.000 1.122 299 V CA 2.370 64.601 62.300 -0.115 0.000 1.141 299 V CB -1.548 30.219 31.823 -0.093 0.000 0.735 299 V HN 0.835 nan 8.190 nan 0.000 0.498 300 E N -1.216 118.876 120.200 -0.180 0.000 2.416 300 E HA 0.542 4.910 4.350 0.030 0.000 0.280 300 E C -3.121 173.358 176.600 -0.202 0.000 1.055 300 E CA -1.755 54.553 56.400 -0.154 0.000 0.825 300 E CB 0.593 30.217 29.700 -0.128 0.000 1.312 300 E HN 0.051 nan 8.360 nan 0.000 0.452 301 P HA 0.221 nan 4.420 nan 0.000 0.258 301 P C -0.627 176.550 177.300 -0.206 0.000 1.172 301 P CA 0.050 63.047 63.100 -0.173 0.000 0.762 301 P CB 0.485 32.115 31.700 -0.115 0.000 0.764 302 V N 4.238 123.996 119.914 -0.260 0.000 2.378 302 V HA 0.210 4.348 4.120 0.030 0.000 0.288 302 V C 0.161 176.158 176.094 -0.162 0.000 1.016 302 V CA -0.573 61.583 62.300 -0.241 0.000 0.840 302 V CB 1.608 33.199 31.823 -0.386 0.000 0.994 302 V HN 0.479 nan 8.190 nan 0.000 0.431 303 D N 5.558 125.894 120.400 -0.106 0.000 2.295 303 D HA 0.378 5.036 4.640 0.030 0.000 0.248 303 D C -0.834 175.440 176.300 -0.043 0.000 1.154 303 D CA -0.062 53.893 54.000 -0.075 0.000 0.857 303 D CB 1.225 41.993 40.800 -0.053 0.000 1.117 303 D HN 0.419 nan 8.370 nan 0.000 0.468 304 L N 3.926 125.123 121.223 -0.044 0.000 2.372 304 L HA 0.182 4.540 4.340 0.030 0.000 0.274 304 L C 0.571 177.430 176.870 -0.019 0.000 0.988 304 L CA -0.675 54.152 54.840 -0.022 0.000 0.833 304 L CB 1.633 43.678 42.059 -0.024 0.000 1.236 304 L HN 0.469 nan 8.230 nan 0.000 0.410 305 D N 2.562 122.957 120.400 -0.008 0.000 2.955 305 D HA -0.244 4.414 4.640 0.030 0.000 0.205 305 D C 1.057 177.361 176.300 0.006 0.000 1.104 305 D CA 2.296 56.297 54.000 0.002 0.000 1.005 305 D CB -0.316 40.487 40.800 0.005 0.000 1.123 305 D HN 1.062 nan 8.370 nan 0.000 0.407 306 G N -3.125 105.675 108.800 -0.001 0.000 2.901 306 G HA2 -0.144 3.834 3.960 0.030 0.000 0.194 306 G HA3 -0.144 3.834 3.960 0.030 0.000 0.194 306 G C 0.275 175.180 174.900 0.007 0.000 1.020 306 G CA 0.114 45.217 45.100 0.006 0.000 0.787 306 G HN 0.399 nan 8.290 nan 0.000 0.477 307 T N 1.900 116.459 114.554 0.007 0.000 2.869 307 T HA 0.534 4.902 4.350 0.030 0.000 0.295 307 T C 0.130 174.801 174.700 -0.049 0.000 0.987 307 T CA -0.045 62.069 62.100 0.024 0.000 1.109 307 T CB 2.452 71.361 68.868 0.068 0.000 0.932 307 T HN 0.410 nan 8.240 nan 0.000 0.518 308 V N 4.882 124.766 119.914 -0.051 0.000 2.394 308 V HA 0.381 4.519 4.120 0.030 0.000 0.282 308 V C 0.216 176.130 176.094 -0.300 0.000 1.031 308 V CA -0.793 61.424 62.300 -0.137 0.000 0.881 308 V CB 1.074 32.854 31.823 -0.071 0.000 0.982 308 V HN 0.780 nan 8.190 nan 0.000 0.451 309 I N 8.092 128.373 120.570 -0.482 0.000 2.304 309 I HA 0.308 4.496 4.170 0.030 0.000 0.291 309 I C -1.953 173.928 176.117 -0.394 0.000 1.018 309 I CA -1.856 58.974 61.300 -0.783 0.000 1.260 309 I CB 1.728 39.204 38.000 -0.873 0.000 1.390 309 I HN 0.419 nan 8.210 nan 0.000 0.475 310 P HA 0.064 nan 4.420 nan 0.000 0.269 310 P C -0.332 176.902 177.300 -0.111 0.000 1.209 310 P CA -0.302 62.738 63.100 -0.099 0.000 0.776 310 P CB 0.790 32.501 31.700 0.019 0.000 0.876 311 A N 2.310 125.073 122.820 -0.096 0.000 2.531 311 A HA 0.376 4.715 4.320 0.030 0.000 0.236 311 A C 1.598 179.152 177.584 -0.051 0.000 1.062 311 A CA 0.826 52.807 52.037 -0.093 0.000 0.760 311 A CB -1.454 17.497 19.000 -0.081 0.000 0.995 311 A HN 0.904 nan 8.150 nan 0.000 0.501 312 G N 1.645 110.418 108.800 -0.044 0.000 2.212 312 G HA2 -0.230 3.748 3.960 0.030 0.000 0.266 312 G HA3 -0.230 3.748 3.960 0.030 0.000 0.266 312 G C 0.076 174.988 174.900 0.020 0.000 0.978 312 G CA 0.625 45.705 45.100 -0.033 0.000 0.632 312 G HN 0.894 nan 8.290 nan 0.000 0.537 313 D N 0.742 121.180 120.400 0.062 0.000 2.357 313 D HA 0.522 5.180 4.640 0.030 0.000 0.242 313 D C 0.755 177.187 176.300 0.218 0.000 1.153 313 D CA 0.494 54.582 54.000 0.147 0.000 0.918 313 D CB 0.674 41.583 40.800 0.183 0.000 1.181 313 D HN 0.054 nan 8.370 nan 0.000 0.435 314 T N 0.808 115.490 114.554 0.214 0.000 2.817 314 T HA 0.428 4.796 4.350 0.030 0.000 0.293 314 T C -0.298 174.413 174.700 0.018 0.000 0.964 314 T CA -0.468 61.667 62.100 0.058 0.000 1.085 314 T CB 0.641 69.403 68.868 -0.176 0.000 0.921 314 T HN -0.018 nan 8.240 nan 0.000 0.502 315 V N 5.226 125.063 119.914 -0.129 0.000 2.531 315 V HA 0.473 4.611 4.120 0.030 0.000 0.301 315 V C -0.398 175.608 176.094 -0.147 0.000 1.034 315 V CA -0.889 61.386 62.300 -0.041 0.000 0.865 315 V CB 1.733 33.563 31.823 0.012 0.000 0.995 315 V HN 0.719 nan 8.190 nan 0.000 0.424 316 L N 4.668 125.850 121.223 -0.068 0.000 2.313 316 L HA 0.584 4.942 4.340 0.030 0.000 0.283 316 L C -0.506 176.323 176.870 -0.069 0.000 1.013 316 L CA -0.880 53.920 54.840 -0.066 0.000 0.816 316 L CB 2.053 44.106 42.059 -0.009 0.000 1.236 316 L HN 0.369 nan 8.230 nan 0.000 0.419 317 V N 4.432 124.281 119.914 -0.108 0.000 2.368 317 V HA 0.087 4.226 4.120 0.030 0.000 0.266 317 V C 0.461 176.487 176.094 -0.113 0.000 1.045 317 V CA -0.514 61.709 62.300 -0.128 0.000 0.899 317 V CB 1.426 33.158 31.823 -0.153 0.000 1.006 317 V HN 0.449 nan 8.190 nan 0.000 0.470 318 V N 7.496 127.330 119.914 -0.133 0.000 2.229 318 V HA 0.072 4.210 4.120 0.030 0.000 0.245 318 V C 1.523 177.467 176.094 -0.250 0.000 1.243 318 V CA 0.088 62.253 62.300 -0.226 0.000 1.176 318 V CB -0.437 31.162 31.823 -0.373 0.000 1.323 318 V HN 0.786 nan 8.190 nan 0.000 0.499 319 L N 2.679 123.761 121.223 -0.235 0.000 2.081 319 L HA -0.227 4.131 4.340 0.030 0.000 0.212 319 L C 2.673 179.186 176.870 -0.595 0.000 1.080 319 L CA 1.800 56.427 54.840 -0.356 0.000 0.754 319 L CB -0.717 41.173 42.059 -0.281 0.000 0.893 319 L HN 0.640 nan 8.230 nan 0.000 0.433 320 A N 0.105 122.700 122.820 -0.375 0.000 1.940 320 A HA -0.288 4.050 4.320 0.030 0.000 0.219 320 A C 2.001 179.543 177.584 -0.069 0.000 1.176 320 A CA 2.256 54.183 52.037 -0.184 0.000 0.631 320 A CB -0.574 18.360 19.000 -0.110 0.000 0.814 320 A HN 0.473 nan 8.150 nan 0.000 0.446 321 D N -1.002 119.291 120.400 -0.178 0.000 2.249 321 D HA 0.181 4.839 4.640 0.030 0.000 0.205 321 D C 1.948 178.284 176.300 0.059 0.000 0.962 321 D CA 1.018 55.007 54.000 -0.019 0.000 0.860 321 D CB -0.106 40.658 40.800 -0.060 0.000 0.955 321 D HN 0.312 nan 8.370 nan 0.000 0.505 322 A N -0.397 122.445 122.820 0.037 0.000 1.898 322 A HA -0.173 4.165 4.320 0.030 0.000 0.216 322 A C 1.784 179.604 177.584 0.393 0.000 1.181 322 A CA 1.363 53.570 52.037 0.284 0.000 0.620 322 A CB -1.016 18.189 19.000 0.342 0.000 0.819 322 A HN 0.483 nan 8.150 nan 0.000 0.442 323 H N -1.489 117.645 119.070 0.107 0.000 2.545 323 H HA 0.050 4.624 4.556 0.031 0.000 0.282 323 H C 0.684 175.863 175.328 -0.248 0.000 1.020 323 H CA 0.297 56.237 56.048 -0.179 0.000 1.243 323 H CB 0.285 29.908 29.762 -0.232 0.000 1.377 323 H HN 0.161 nan 8.280 nan 0.000 0.581 324 R N 0.760 121.262 120.500 0.005 0.000 2.700 324 R HA 0.160 4.518 4.340 0.030 0.000 0.377 324 R C -0.360 175.939 176.300 -0.001 0.000 1.130 324 R CA -0.057 55.961 56.100 -0.138 0.000 1.055 324 R CB 0.154 30.337 30.300 -0.196 0.000 1.387 324 R HN -0.001 nan 8.270 nan 0.000 0.580 325 T N 2.624 117.260 114.554 0.136 0.000 2.811 325 T HA 0.192 4.560 4.350 0.030 0.000 0.309 325 T C -1.734 173.041 174.700 0.125 0.000 1.005 325 T CA -1.512 60.683 62.100 0.159 0.000 0.955 325 T CB 1.776 70.788 68.868 0.241 0.000 0.970 325 T HN -0.061 nan 8.240 nan 0.000 0.496 326 P HA -0.215 nan 4.420 nan 0.000 0.218 326 P C 1.378 178.693 177.300 0.025 0.000 1.165 326 P CA 1.282 64.411 63.100 0.048 0.000 0.922 326 P CB 0.236 31.966 31.700 0.050 0.000 0.794 327 E N -1.192 119.022 120.200 0.023 0.000 2.136 327 E HA -0.250 4.118 4.350 0.030 0.000 0.202 327 E C 2.093 178.639 176.600 -0.089 0.000 1.019 327 E CA 1.507 57.901 56.400 -0.009 0.000 0.819 327 E CB -0.585 29.128 29.700 0.023 0.000 0.739 327 E HN 0.103 nan 8.360 nan 0.000 0.458 328 R N -0.368 120.039 120.500 -0.154 0.000 2.051 328 R HA 0.091 4.449 4.340 0.030 0.000 0.225 328 R C -0.133 175.803 176.300 -0.606 0.000 1.155 328 R CA 0.956 56.755 56.100 -0.501 0.000 0.945 328 R CB -0.108 29.667 30.300 -0.875 0.000 0.840 328 R HN 0.109 nan 8.270 nan 0.000 0.432 329 F N 1.508 121.359 119.950 -0.165 0.000 2.347 329 F HA 0.476 5.022 4.527 0.032 0.000 0.366 329 F C -2.019 173.721 175.800 -0.100 0.000 1.107 329 F CA -3.141 54.779 58.000 -0.133 0.000 1.058 329 F CB 1.386 40.301 39.000 -0.142 0.000 1.236 329 F HN -0.025 nan 8.300 nan 0.000 0.456 330 P HA -0.026 nan 4.420 nan 0.000 0.270 330 P C 0.032 177.347 177.300 0.026 0.000 1.223 330 P CA 0.236 63.352 63.100 0.027 0.000 0.785 330 P CB 0.453 32.155 31.700 0.003 0.000 0.923 331 D N 1.583 121.994 120.400 0.017 0.000 2.704 331 D HA -0.157 4.501 4.640 0.030 0.000 0.232 331 D C -1.408 174.880 176.300 -0.019 0.000 1.183 331 D CA 0.229 54.238 54.000 0.015 0.000 0.647 331 D CB -0.921 39.884 40.800 0.009 0.000 1.013 331 D HN 0.208 nan 8.370 nan 0.000 0.415 332 P HA -0.185 nan 4.420 nan 0.000 0.218 332 P C 0.961 178.109 177.300 -0.254 0.000 1.154 332 P CA 1.325 64.297 63.100 -0.214 0.000 0.872 332 P CB -0.052 31.431 31.700 -0.362 0.000 0.790 333 H N -1.842 117.254 119.070 0.044 0.000 2.547 333 H HA 0.156 4.730 4.556 0.030 0.000 0.274 333 H C 0.766 176.160 175.328 0.109 0.000 1.024 333 H CA 0.288 56.400 56.048 0.108 0.000 1.155 333 H CB -0.232 29.573 29.762 0.071 0.000 1.344 333 H HN 0.028 nan 8.280 nan 0.000 0.598 334 R N 0.746 121.271 120.500 0.042 0.000 2.338 334 R HA 0.138 4.497 4.340 0.030 0.000 0.317 334 R C -1.294 174.810 176.300 -0.326 0.000 0.968 334 R CA -0.738 55.318 56.100 -0.073 0.000 0.849 334 R CB 0.094 30.369 30.300 -0.041 0.000 1.128 334 R HN -0.100 nan 8.270 nan 0.000 0.448 335 F N 4.666 124.151 119.950 -0.775 0.000 2.405 335 F HA 0.299 4.845 4.527 0.033 0.000 0.358 335 F C -0.798 174.683 175.800 -0.532 0.000 1.151 335 F CA -0.715 56.647 58.000 -1.063 0.000 1.161 335 F CB 0.464 38.396 39.000 -1.780 0.000 1.245 335 F HN 0.501 nan 8.300 nan 0.000 0.545 336 D N 6.865 126.802 120.400 -0.771 0.000 2.440 336 D HA 0.144 4.802 4.640 0.030 0.000 0.252 336 D C 1.215 177.160 176.300 -0.591 0.000 1.180 336 D CA -0.356 53.292 54.000 -0.585 0.000 0.894 336 D CB 0.579 41.197 40.800 -0.304 0.000 1.111 336 D HN 0.593 nan 8.370 nan 0.000 0.544 337 I N 0.497 120.654 120.570 -0.688 0.000 2.700 337 I HA -0.057 4.131 4.170 0.030 0.000 0.261 337 I C 1.068 177.040 176.117 -0.241 0.000 1.219 337 I CA 0.656 61.687 61.300 -0.449 0.000 1.463 337 I CB 0.011 37.797 38.000 -0.357 0.000 1.092 337 I HN 0.016 nan 8.210 nan 0.000 0.452 338 R N 1.923 122.294 120.500 -0.215 0.000 2.568 338 R HA 0.267 4.625 4.340 0.030 0.000 0.288 338 R C 0.479 176.715 176.300 -0.108 0.000 1.077 338 R CA -0.224 55.798 56.100 -0.130 0.000 1.102 338 R CB -0.113 30.122 30.300 -0.108 0.000 1.278 338 R HN 0.432 nan 8.270 nan 0.000 0.560 339 R N 1.237 121.662 120.500 -0.124 0.000 2.573 339 R HA 0.072 4.430 4.340 0.030 0.000 0.272 339 R C -0.799 175.486 176.300 -0.025 0.000 1.009 339 R CA -0.527 55.527 56.100 -0.077 0.000 1.059 339 R CB 1.042 31.283 30.300 -0.097 0.000 1.112 339 R HN -0.153 nan 8.270 nan 0.000 0.517 340 D N 1.537 121.944 120.400 0.013 0.000 2.365 340 D HA 0.013 4.671 4.640 0.030 0.000 0.237 340 D C 0.390 176.763 176.300 0.121 0.000 1.190 340 D CA 0.003 54.026 54.000 0.040 0.000 0.867 340 D CB 1.249 42.055 40.800 0.010 0.000 1.050 340 D HN 0.611 nan 8.370 nan 0.000 0.491 341 T N 0.646 115.285 114.554 0.142 0.000 3.145 341 T HA 0.294 4.663 4.350 0.030 0.000 0.255 341 T C 0.909 175.794 174.700 0.307 0.000 1.039 341 T CA -0.282 61.977 62.100 0.264 0.000 0.928 341 T CB 0.017 68.988 68.868 0.171 0.000 1.029 341 T HN 0.318 nan 8.240 nan 0.000 0.554 342 A N 0.989 123.903 122.820 0.157 0.000 2.993 342 A HA 0.583 4.921 4.320 0.030 0.000 0.281 342 A C 1.395 179.002 177.584 0.040 0.000 1.847 342 A CA 0.013 52.101 52.037 0.084 0.000 1.470 342 A CB -1.467 17.550 19.000 0.028 0.000 1.028 342 A HN 1.194 nan 8.150 nan 0.000 0.604 343 G N 1.298 110.154 108.800 0.092 0.000 3.698 343 G HA2 0.009 3.987 3.960 0.030 0.000 0.222 343 G HA3 0.009 3.987 3.960 0.030 0.000 0.222 343 G C -0.114 174.962 174.900 0.295 0.000 0.908 343 G CA -0.081 45.070 45.100 0.085 0.000 1.077 343 G HN 1.102 nan 8.290 nan 0.000 0.709 344 H N -0.283 118.984 119.070 0.328 0.000 2.505 344 H HA 0.595 5.169 4.556 0.030 0.000 0.355 344 H C 0.091 175.667 175.328 0.414 0.000 1.179 344 H CA -0.658 55.587 56.048 0.330 0.000 1.343 344 H CB 1.574 31.308 29.762 -0.047 0.000 1.501 344 H HN 0.060 nan 8.280 nan 0.000 0.569 345 L N 1.935 123.595 121.223 0.728 0.000 3.017 345 L HA 0.275 4.633 4.340 0.030 0.000 0.255 345 L C 1.966 179.115 176.870 0.465 0.000 1.247 345 L CA -0.039 55.115 54.840 0.523 0.000 1.038 345 L CB 0.210 42.502 42.059 0.388 0.000 1.380 345 L HN 0.743 nan 8.230 nan 0.000 0.548 346 A N 0.160 123.319 122.820 0.565 0.000 2.019 346 A HA -0.078 4.260 4.320 0.030 0.000 0.219 346 A C 1.634 179.153 177.584 -0.108 0.000 1.164 346 A CA 1.514 53.652 52.037 0.167 0.000 0.644 346 A CB -0.422 18.482 19.000 -0.160 0.000 0.805 346 A HN 0.476 nan 8.150 nan 0.000 0.449 347 F N -1.057 118.956 119.950 0.106 0.000 2.653 347 F HA 0.422 4.968 4.527 0.032 0.000 0.304 347 F C 1.522 177.115 175.800 -0.346 0.000 1.092 347 F CA 0.428 58.278 58.000 -0.249 0.000 1.279 347 F CB 0.372 39.010 39.000 -0.604 0.000 1.044 347 F HN 0.479 nan 8.300 nan 0.000 0.564 348 G N 0.633 109.513 108.800 0.133 0.000 2.568 348 G HA2 -0.115 3.863 3.960 0.030 0.000 0.222 348 G HA3 -0.115 3.863 3.960 0.030 0.000 0.222 348 G C -1.408 173.781 174.900 0.482 0.000 1.321 348 G CA -0.312 44.911 45.100 0.205 0.000 0.893 348 G HN 0.574 nan 8.290 nan 0.000 0.569 349 H N -0.822 118.440 119.070 0.320 0.000 3.114 349 H HA 0.679 5.252 4.556 0.030 0.000 0.325 349 H C 0.401 175.845 175.328 0.193 0.000 1.206 349 H CA 1.902 58.143 56.048 0.322 0.000 1.316 349 H CB 1.054 30.920 29.762 0.174 0.000 1.981 349 H HN 2.747 nan 8.280 nan 0.000 0.527 350 G N 2.224 110.859 108.800 -0.276 0.000 2.472 350 G HA2 -0.176 3.802 3.960 0.030 0.000 0.205 350 G HA3 -0.176 3.802 3.960 0.030 0.000 0.205 350 G C 1.213 176.053 174.900 -0.099 0.000 1.270 350 G CA 0.068 44.960 45.100 -0.347 0.000 0.974 350 G HN 1.306 nan 8.290 nan 0.000 0.542 351 I N -2.466 117.990 120.570 -0.190 0.000 2.567 351 I HA 0.036 4.224 4.170 0.030 0.000 0.257 351 I C 1.666 177.630 176.117 -0.255 0.000 1.184 351 I CA 1.865 63.017 61.300 -0.246 0.000 1.451 351 I CB -0.301 37.407 38.000 -0.487 0.000 1.089 351 I HN 0.462 nan 8.210 nan 0.000 0.441 352 H N 0.632 119.696 119.070 -0.010 0.000 2.539 352 H HA 0.197 4.772 4.556 0.032 0.000 0.269 352 H C 0.215 175.635 175.328 0.153 0.000 0.980 352 H CA -0.505 55.588 56.048 0.076 0.000 1.152 352 H CB -0.225 29.530 29.762 -0.012 0.000 1.407 352 H HN 0.345 nan 8.280 nan 0.000 0.564 353 F N 2.132 122.159 119.950 0.128 0.000 2.604 353 F HA -0.143 4.404 4.527 0.032 0.000 0.390 353 F C 0.936 176.806 175.800 0.117 0.000 1.053 353 F CA -0.333 57.748 58.000 0.136 0.000 1.256 353 F CB 0.384 39.449 39.000 0.109 0.000 0.996 353 F HN 0.137 nan 8.300 nan 0.000 0.564 354 C N 9.196 128.183 119.300 -0.521 0.000 2.067 354 C HA -0.103 4.375 4.460 0.030 0.000 0.408 354 C C 1.915 176.805 174.990 -0.166 0.000 1.539 354 C CA 0.150 58.979 59.018 -0.315 0.000 1.434 354 C CB -2.068 25.499 27.740 -0.288 0.000 2.621 354 C HN 0.961 nan 8.230 nan 0.000 0.610 355 I N 4.700 125.215 120.570 -0.092 0.000 2.761 355 I HA 0.104 4.292 4.170 0.030 0.000 0.261 355 I C 1.927 177.934 176.117 -0.183 0.000 1.198 355 I CA 1.578 62.825 61.300 -0.088 0.000 1.482 355 I CB -0.093 37.815 38.000 -0.154 0.000 1.100 355 I HN 0.869 nan 8.210 nan 0.000 0.445 356 G N -0.317 108.330 108.800 -0.255 0.000 3.448 356 G HA2 0.254 4.232 3.960 0.030 0.000 0.261 356 G HA3 0.254 4.232 3.960 0.030 0.000 0.261 356 G C 1.389 176.231 174.900 -0.097 0.000 1.173 356 G CA 0.445 45.431 45.100 -0.190 0.000 0.835 356 G HN 0.445 nan 8.290 nan 0.000 0.534 357 A N 2.166 124.831 122.820 -0.258 0.000 1.865 357 A HA 0.003 4.341 4.320 0.030 0.000 0.217 357 A C 0.652 178.106 177.584 -0.216 0.000 1.191 357 A CA 1.740 53.434 52.037 -0.572 0.000 0.623 357 A CB -1.045 17.305 19.000 -1.084 0.000 0.826 357 A HN 0.348 nan 8.150 nan 0.000 0.444 358 P HA -0.173 nan 4.420 nan 0.000 0.215 358 P C 1.669 179.001 177.300 0.054 0.000 1.157 358 P CA 1.200 64.306 63.100 0.010 0.000 0.874 358 P CB -0.110 31.617 31.700 0.045 0.000 0.790 359 L N -0.680 120.595 121.223 0.087 0.000 2.093 359 L HA -0.011 4.347 4.340 0.030 0.000 0.208 359 L C 2.156 179.085 176.870 0.100 0.000 1.085 359 L CA 1.917 56.820 54.840 0.105 0.000 0.755 359 L CB -1.571 40.589 42.059 0.169 0.000 0.904 359 L HN -0.127 nan 8.230 nan 0.000 0.435 360 A N -0.330 122.560 122.820 0.117 0.000 1.873 360 A HA -0.188 4.151 4.320 0.030 0.000 0.215 360 A C 2.449 180.142 177.584 0.181 0.000 1.186 360 A CA 1.639 53.779 52.037 0.172 0.000 0.616 360 A CB -0.507 18.676 19.000 0.304 0.000 0.823 360 A HN 0.466 nan 8.150 nan 0.000 0.442 361 R N -1.130 119.483 120.500 0.189 0.000 2.081 361 R HA -0.102 4.256 4.340 0.030 0.000 0.235 361 R C 2.118 178.486 176.300 0.113 0.000 1.131 361 R CA 1.422 57.628 56.100 0.177 0.000 0.960 361 R CB -0.501 29.898 30.300 0.164 0.000 0.856 361 R HN 0.512 nan 8.270 nan 0.000 0.436 362 L N 1.497 122.772 121.223 0.087 0.000 1.994 362 L HA -0.184 4.175 4.340 0.030 0.000 0.208 362 L C 1.724 178.629 176.870 0.058 0.000 1.071 362 L CA 1.884 56.762 54.840 0.063 0.000 0.745 362 L CB -0.394 41.695 42.059 0.050 0.000 0.892 362 L HN 0.145 nan 8.230 nan 0.000 0.431 363 E N -0.298 119.939 120.200 0.061 0.000 2.097 363 E HA -0.284 4.084 4.350 0.030 0.000 0.196 363 E C 2.129 178.762 176.600 0.055 0.000 1.000 363 E CA 1.312 57.741 56.400 0.049 0.000 0.804 363 E CB -0.392 29.337 29.700 0.048 0.000 0.740 363 E HN 0.693 nan 8.360 nan 0.000 0.454 364 A N 1.535 124.399 122.820 0.074 0.000 1.858 364 A HA -0.216 4.122 4.320 0.030 0.000 0.216 364 A C 2.101 179.724 177.584 0.066 0.000 1.190 364 A CA 1.563 53.645 52.037 0.075 0.000 0.617 364 A CB -0.469 18.589 19.000 0.096 0.000 0.827 364 A HN 0.081 nan 8.150 nan 0.000 0.443 365 R N -0.451 120.089 120.500 0.067 0.000 2.080 365 R HA -0.088 4.270 4.340 0.030 0.000 0.236 365 R C 2.056 178.381 176.300 0.042 0.000 1.137 365 R CA 1.800 57.934 56.100 0.056 0.000 0.943 365 R CB -0.574 29.760 30.300 0.056 0.000 0.846 365 R HN 0.566 nan 8.270 nan 0.000 0.431 366 I N 0.466 121.058 120.570 0.037 0.000 2.286 366 I HA -0.275 3.914 4.170 0.030 0.000 0.248 366 I C 2.548 178.678 176.117 0.021 0.000 1.115 366 I CA 1.252 62.566 61.300 0.025 0.000 1.392 366 I CB -0.400 37.612 38.000 0.020 0.000 1.065 366 I HN 0.265 nan 8.210 nan 0.000 0.418 367 A N 0.383 123.220 122.820 0.028 0.000 1.872 367 A HA -0.106 4.232 4.320 0.030 0.000 0.214 367 A C 2.418 180.020 177.584 0.029 0.000 1.187 367 A CA 1.292 53.345 52.037 0.025 0.000 0.614 367 A CB -0.886 18.134 19.000 0.033 0.000 0.826 367 A HN 0.192 nan 8.150 nan 0.000 0.442 368 V N 0.565 120.503 119.914 0.041 0.000 2.255 368 V HA -0.309 3.829 4.120 0.030 0.000 0.247 368 V C 2.703 178.818 176.094 0.036 0.000 1.051 368 V CA 2.475 64.803 62.300 0.047 0.000 1.018 368 V CB -0.874 30.985 31.823 0.060 0.000 0.641 368 V HN 0.720 nan 8.190 nan 0.000 0.445 369 R N 0.387 120.905 120.500 0.030 0.000 2.083 369 R HA -0.215 4.143 4.340 0.030 0.000 0.237 369 R C 2.299 178.605 176.300 0.010 0.000 1.137 369 R CA 1.976 58.089 56.100 0.021 0.000 0.951 369 R CB -0.575 29.736 30.300 0.019 0.000 0.851 369 R HN 0.463 nan 8.270 nan 0.000 0.434 370 A N 1.464 124.286 122.820 0.003 0.000 1.892 370 A HA -0.175 4.163 4.320 0.030 0.000 0.218 370 A C 2.309 179.879 177.584 -0.024 0.000 1.188 370 A CA 1.655 53.684 52.037 -0.013 0.000 0.631 370 A CB -0.721 18.269 19.000 -0.016 0.000 0.822 370 A HN 0.393 nan 8.150 nan 0.000 0.447 371 L N -0.744 120.471 121.223 -0.013 0.000 2.012 371 L HA -0.217 4.141 4.340 0.030 0.000 0.210 371 L C 2.649 179.515 176.870 -0.006 0.000 1.073 371 L CA 1.368 56.198 54.840 -0.017 0.000 0.748 371 L CB -0.638 41.429 42.059 0.014 0.000 0.891 371 L HN 0.402 nan 8.230 nan 0.000 0.431 372 L N -0.671 120.560 121.223 0.013 0.000 2.093 372 L HA -0.192 4.166 4.340 0.030 0.000 0.208 372 L C 2.314 179.189 176.870 0.008 0.000 1.085 372 L CA 1.168 56.021 54.840 0.021 0.000 0.755 372 L CB -0.370 41.707 42.059 0.030 0.000 0.904 372 L HN 0.234 nan 8.230 nan 0.000 0.435 373 E N -0.526 119.672 120.200 -0.002 0.000 2.318 373 E HA -0.026 4.342 4.350 0.030 0.000 0.193 373 E C 2.042 178.627 176.600 -0.025 0.000 0.998 373 E CA 0.444 56.840 56.400 -0.008 0.000 0.859 373 E CB 0.228 29.924 29.700 -0.006 0.000 0.812 373 E HN 0.297 nan 8.360 nan 0.000 0.492 374 R N -1.066 119.406 120.500 -0.047 0.000 2.282 374 R HA 0.274 4.633 4.340 0.030 0.000 0.195 374 R C -0.088 176.133 176.300 -0.132 0.000 0.909 374 R CA 0.103 56.152 56.100 -0.084 0.000 1.039 374 R CB 0.519 30.757 30.300 -0.103 0.000 1.015 374 R HN 0.040 nan 8.270 nan 0.000 0.513 375 C N 4.111 123.347 119.300 -0.108 0.000 2.273 375 C HA 0.333 4.811 4.460 0.030 0.000 0.328 375 C C -2.094 172.911 174.990 0.025 0.000 1.275 375 C CA -1.770 57.177 59.018 -0.119 0.000 1.704 375 C CB 1.457 29.136 27.740 -0.101 0.000 2.326 375 C HN 0.204 nan 8.230 nan 0.000 0.517 376 P HA 0.209 nan 4.420 nan 0.000 0.269 376 P C 0.176 177.579 177.300 0.172 0.000 1.252 376 P CA 1.291 64.472 63.100 0.134 0.000 0.780 376 P CB 0.066 31.867 31.700 0.169 0.000 0.829 377 D N 1.302 121.770 120.400 0.113 0.000 2.704 377 D HA -0.209 4.449 4.640 0.030 0.000 0.232 377 D C 0.149 176.527 176.300 0.130 0.000 1.183 377 D CA 0.717 54.777 54.000 0.100 0.000 0.647 377 D CB -1.855 38.995 40.800 0.083 0.000 1.013 377 D HN 0.510 nan 8.370 nan 0.000 0.415 378 L N -0.592 120.717 121.223 0.143 0.000 2.513 378 L HA 0.538 4.896 4.340 0.030 0.000 0.272 378 L C 0.605 177.549 176.870 0.124 0.000 1.187 378 L CA 0.698 55.641 54.840 0.171 0.000 0.895 378 L CB 0.585 42.732 42.059 0.147 0.000 1.147 378 L HN 1.128 nan 8.230 nan 0.000 0.483 379 A N 5.093 127.984 122.820 0.119 0.000 2.566 379 A HA 0.647 4.985 4.320 0.030 0.000 0.292 379 A C -1.065 176.568 177.584 0.082 0.000 1.112 379 A CA -0.885 51.203 52.037 0.085 0.000 0.707 379 A CB 0.769 19.805 19.000 0.059 0.000 1.302 379 A HN 0.679 nan 8.150 nan 0.000 0.409 380 L N 1.201 122.470 121.223 0.076 0.000 2.455 380 L HA 0.131 4.489 4.340 0.030 0.000 0.272 380 L C 0.416 177.311 176.870 0.042 0.000 1.174 380 L CA -0.022 54.865 54.840 0.078 0.000 0.869 380 L CB 0.487 42.608 42.059 0.102 0.000 1.130 380 L HN 0.755 nan 8.230 nan 0.000 0.474 381 D N 3.057 123.471 120.400 0.023 0.000 2.706 381 D HA 0.269 4.927 4.640 0.030 0.000 0.236 381 D C -0.381 175.910 176.300 -0.015 0.000 1.231 381 D CA 0.237 54.231 54.000 -0.011 0.000 0.828 381 D CB 0.386 41.164 40.800 -0.037 0.000 1.015 381 D HN 0.243 nan 8.370 nan 0.000 0.484 382 V N -0.811 119.105 119.914 0.003 0.000 3.256 382 V HA 0.297 4.435 4.120 0.030 0.000 0.292 382 V C -1.399 174.709 176.094 0.022 0.000 1.736 382 V CA -0.359 61.940 62.300 -0.002 0.000 1.009 382 V CB 1.562 33.372 31.823 -0.022 0.000 1.130 382 V HN 0.191 nan 8.190 nan 0.000 0.484 383 S N 0.483 116.194 115.700 0.019 0.000 2.704 383 S HA 0.707 5.195 4.470 0.030 0.000 0.305 383 S C -2.413 172.220 174.600 0.056 0.000 1.107 383 S CA -1.065 57.160 58.200 0.042 0.000 0.993 383 S CB 1.726 64.943 63.200 0.027 0.000 1.110 383 S HN 0.605 nan 8.310 nan 0.000 0.534 384 P HA 0.134 nan 4.420 nan 0.000 0.228 384 P C 1.224 178.574 177.300 0.083 0.000 1.151 384 P CA 0.843 64.021 63.100 0.130 0.000 0.770 384 P CB -0.332 31.475 31.700 0.179 0.000 0.786 385 G N -0.461 108.368 108.800 0.048 0.000 2.813 385 G HA2 -0.132 3.847 3.960 0.030 0.000 0.209 385 G HA3 -0.132 3.847 3.960 0.030 0.000 0.209 385 G C 1.250 176.155 174.900 0.008 0.000 1.150 385 G CA 0.150 45.269 45.100 0.030 0.000 0.785 385 G HN 0.313 nan 8.290 nan 0.000 0.535 386 E N -0.546 119.648 120.200 -0.010 0.000 2.539 386 E HA 0.217 4.585 4.350 0.030 0.000 0.215 386 E C 0.343 176.890 176.600 -0.088 0.000 0.965 386 E CA -0.361 56.014 56.400 -0.042 0.000 1.019 386 E CB 0.167 29.840 29.700 -0.046 0.000 1.059 386 E HN 0.182 nan 8.360 nan 0.000 0.496 387 L N 2.545 123.709 121.223 -0.098 0.000 2.433 387 L HA 0.194 4.552 4.340 0.030 0.000 0.275 387 L C -0.511 176.239 176.870 -0.201 0.000 1.128 387 L CA -0.376 54.319 54.840 -0.242 0.000 0.875 387 L CB 1.076 42.948 42.059 -0.311 0.000 1.171 387 L HN -0.074 nan 8.230 nan 0.000 0.463 388 V N 2.742 122.465 119.914 -0.318 0.000 2.483 388 V HA 0.380 4.518 4.120 0.030 0.000 0.295 388 V C -0.570 175.278 176.094 -0.411 0.000 1.035 388 V CA -0.572 61.600 62.300 -0.212 0.000 0.896 388 V CB 1.467 33.168 31.823 -0.203 0.000 0.986 388 V HN 0.564 nan 8.190 nan 0.000 0.447 389 W N 2.233 123.376 121.300 -0.262 0.000 2.689 389 W HA 0.636 5.305 4.660 0.015 0.000 0.340 389 W C -0.441 175.937 176.519 -0.236 0.000 1.060 389 W CA -1.057 56.128 57.345 -0.266 0.000 1.218 389 W CB 0.621 29.979 29.460 -0.170 0.000 1.410 389 W HN 0.460 nan 8.180 nan 0.000 0.528 390 Y N 2.573 122.991 120.300 0.197 0.000 2.497 390 Y HA 0.041 4.602 4.550 0.017 0.000 0.334 390 Y C -1.023 174.964 175.900 0.146 0.000 1.199 390 Y CA -1.025 57.155 58.100 0.134 0.000 1.425 390 Y CB 0.152 38.675 38.460 0.104 0.000 1.291 390 Y HN 0.249 nan 8.280 nan 0.000 0.562 391 P HA -0.193 nan 4.420 nan 0.000 0.214 391 P C -0.068 177.382 177.300 0.251 0.000 1.162 391 P CA 1.002 64.248 63.100 0.243 0.000 0.879 391 P CB 0.088 31.907 31.700 0.198 0.000 0.786 392 N N 0.728 119.561 118.700 0.223 0.000 1.920 392 N HA -0.124 4.634 4.740 0.030 0.000 0.307 392 N C -1.289 174.349 175.510 0.213 0.000 1.305 392 N CA 0.071 53.237 53.050 0.194 0.000 0.800 392 N CB 0.449 39.031 38.487 0.157 0.000 1.035 392 N HN 0.118 nan 8.380 nan 0.000 0.498 393 P HA -0.101 nan 4.420 nan 0.000 0.230 393 P C 1.120 178.533 177.300 0.188 0.000 1.158 393 P CA 1.028 64.283 63.100 0.258 0.000 0.769 393 P CB 0.286 32.133 31.700 0.244 0.000 0.807 394 M N -1.309 118.387 119.600 0.160 0.000 2.486 394 M HA 0.089 4.588 4.480 0.030 0.000 0.264 394 M C 0.246 176.604 176.300 0.097 0.000 1.125 394 M CA 0.771 56.146 55.300 0.124 0.000 1.144 394 M CB 0.126 32.809 32.600 0.138 0.000 1.353 394 M HN -0.162 nan 8.290 nan 0.000 0.466 395 I N -0.444 120.193 120.570 0.113 0.000 2.433 395 I HA 0.275 4.463 4.170 0.030 0.000 0.292 395 I C 0.003 176.204 176.117 0.140 0.000 1.001 395 I CA -0.494 60.872 61.300 0.110 0.000 1.119 395 I CB 1.614 39.678 38.000 0.106 0.000 1.289 395 I HN -0.105 nan 8.210 nan 0.000 0.438 396 R N 4.162 124.742 120.500 0.133 0.000 2.666 396 R HA 0.746 5.104 4.340 0.030 0.000 0.275 396 R C -0.604 175.879 176.300 0.304 0.000 1.266 396 R CA -0.241 55.962 56.100 0.172 0.000 1.401 396 R CB 0.334 30.677 30.300 0.072 0.000 1.145 396 R HN 0.856 nan 8.270 nan 0.000 0.581 397 G N 2.325 111.351 108.800 0.377 0.000 2.619 397 G HA2 0.503 4.481 3.960 0.030 0.000 0.296 397 G HA3 0.503 4.481 3.960 0.030 0.000 0.296 397 G C -1.299 173.711 174.900 0.184 0.000 1.334 397 G CA -0.787 44.493 45.100 0.300 0.000 0.934 397 G HN 0.355 nan 8.290 nan 0.000 0.476 398 L N 0.416 121.527 121.223 -0.186 0.000 2.399 398 L HA 0.413 4.771 4.340 0.030 0.000 0.265 398 L C 1.760 178.430 176.870 -0.334 0.000 1.089 398 L CA -0.664 53.825 54.840 -0.585 0.000 0.802 398 L CB 1.933 43.523 42.059 -0.783 0.000 1.180 398 L HN 0.737 nan 8.230 nan 0.000 0.454 399 K N 1.180 121.250 120.400 -0.550 0.000 2.314 399 K HA 0.259 4.597 4.320 0.030 0.000 0.198 399 K C 0.056 176.548 176.600 -0.181 0.000 1.045 399 K CA 0.642 56.691 56.287 -0.398 0.000 0.988 399 K CB 0.431 32.593 32.500 -0.563 0.000 0.783 399 K HN 0.701 nan 8.250 nan 0.000 0.484 400 A N 0.548 123.216 122.820 -0.254 0.000 2.605 400 A HA 0.516 4.854 4.320 0.030 0.000 0.294 400 A C -2.074 175.378 177.584 -0.221 0.000 1.062 400 A CA -0.747 51.187 52.037 -0.172 0.000 0.682 400 A CB 1.426 20.343 19.000 -0.139 0.000 1.278 400 A HN 0.115 nan 8.150 nan 0.000 0.410 401 L N 1.702 122.843 121.223 -0.135 0.000 2.480 401 L HA 0.500 4.858 4.340 0.030 0.000 0.253 401 L C -2.805 174.038 176.870 -0.046 0.000 1.324 401 L CA -1.546 53.220 54.840 -0.123 0.000 0.916 401 L CB 1.158 43.164 42.059 -0.088 0.000 1.160 401 L HN 0.314 nan 8.230 nan 0.000 0.503 402 P HA 0.208 nan 4.420 nan 0.000 0.263 402 P C -0.607 176.699 177.300 0.010 0.000 1.195 402 P CA 0.578 63.663 63.100 -0.025 0.000 0.762 402 P CB 0.366 32.038 31.700 -0.047 0.000 0.799 403 I N 0.837 121.430 120.570 0.040 0.000 3.174 403 I HA 0.874 5.062 4.170 0.030 0.000 0.313 403 I C -0.697 175.440 176.117 0.033 0.000 1.155 403 I CA -1.749 59.599 61.300 0.080 0.000 0.977 403 I CB 2.884 40.982 38.000 0.163 0.000 1.248 403 I HN 0.217 nan 8.210 nan 0.000 0.453 404 R N 1.872 122.399 120.500 0.045 0.000 2.643 404 R HA 0.543 4.902 4.340 0.030 0.000 0.269 404 R C -1.949 174.391 176.300 0.066 0.000 1.037 404 R CA -0.772 55.249 56.100 -0.133 0.000 0.894 404 R CB 0.950 31.140 30.300 -0.183 0.000 1.238 404 R HN 0.961 nan 8.270 nan 0.000 0.459 405 W N 0.106 121.414 121.300 0.014 0.000 2.128 405 W HA 0.769 5.446 4.660 0.029 0.000 0.356 405 W C -0.183 176.344 176.519 0.012 0.000 0.891 405 W CA 0.036 57.389 57.345 0.015 0.000 2.408 405 W CB 0.267 29.737 29.460 0.016 0.000 1.234 405 W HN 0.988 nan 8.180 nan 0.000 0.597 406 R N 0.000 120.423 120.500 -0.128 0.000 2.786 406 R HA 0.000 4.358 4.340 0.030 0.000 0.208 406 R CA 0.000 nan 56.100 nan 0.000 0.921 406 R CB 0.000 nan 30.300 nan 0.000 0.687 406 R HN 0.000 nan 8.270 nan 0.000 0.535