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 3m0x_1_C DATA FIRST_RESID 3 DATA SEQUENCE EFRIAQDVVA RENDRRASAL KEDYEALGAN LARRGVDIEA VTAKVEKFFV DATA SEQUENCE AVPSWGVGTG GTRFARFPGT GEPRGIFDKL DDCAVIQQLT RATPNVSLHI DATA SEQUENCE PWDKADPKEL KARGDALGLG FDAMNSNTFS DAPGQAHSYK YGSLSHTNAA DATA SEQUENCE TRAQAVEHNL ECIEIGKAIG SKALTVWIGD GSNFPGQSNF TRAFERYLSA DATA SEQUENCE MAEIYKGLPD DWKLFSEHKM YEPAFYSTVV QDWGTNYLIA QTLGPKAQCL DATA SEQUENCE VDLGHHAPNT NIEMIVARLI QFGKLGGFHF NDSKYGDDDL DAGAIEPYRL DATA SEQUENCE FLVFNELVDA EARGVKGFHP AHMIDQLHNV TDPIESLINS ANEIRRAYAQ DATA SEQUENCE ALLVDRAALS GYQEDNDALM ATETLKRAYR TDVEPILAEA RRRTGGAVDP DATA SEQUENCE VATYRASGYR ARVAAERPAS VAGGGGIIGS 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.467 176.600 -0.221 0.000 1.382 3 E CA 0.000 56.372 56.400 -0.046 0.000 0.976 3 E CB 0.000 29.689 29.700 -0.019 0.000 0.812 4 F N 4.309 124.265 119.950 0.010 0.000 2.325 4 F HA 0.403 4.934 4.527 0.006 0.000 0.369 4 F C 1.452 177.264 175.800 0.019 0.000 1.095 4 F CA -0.842 57.160 58.000 0.004 0.000 1.082 4 F CB 1.031 40.032 39.000 0.002 0.000 1.289 4 F HN 0.386 nan 8.300 nan 0.000 0.462 5 R N 1.483 122.047 120.500 0.107 0.000 2.127 5 R HA -0.058 4.285 4.340 0.006 0.000 0.238 5 R C 0.193 176.574 176.300 0.135 0.000 1.134 5 R CA 0.988 57.156 56.100 0.113 0.000 0.975 5 R CB -0.339 29.942 30.300 -0.032 0.000 0.865 5 R HN 0.381 nan 8.270 nan 0.000 0.447 6 I N 0.560 121.196 120.570 0.110 0.000 2.354 6 I HA 0.235 4.409 4.170 0.006 0.000 0.292 6 I C 0.101 176.297 176.117 0.131 0.000 0.989 6 I CA -1.040 60.323 61.300 0.105 0.000 1.188 6 I CB 1.525 39.560 38.000 0.059 0.000 1.342 6 I HN -0.047 nan 8.210 nan 0.000 0.457 7 A N 5.583 128.451 122.820 0.080 0.000 2.567 7 A HA 0.036 4.359 4.320 0.006 0.000 0.240 7 A C 1.152 178.720 177.584 -0.025 0.000 1.053 7 A CA 0.190 52.240 52.037 0.021 0.000 0.755 7 A CB 0.007 19.012 19.000 0.008 0.000 0.978 7 A HN 0.869 nan 8.150 nan 0.000 0.507 8 Q N 0.843 120.562 119.800 -0.135 0.000 2.167 8 Q HA -0.185 4.159 4.340 0.006 0.000 0.202 8 Q C 1.257 177.195 176.000 -0.103 0.000 0.970 8 Q CA 1.511 57.204 55.803 -0.185 0.000 0.855 8 Q CB -0.078 28.421 28.738 -0.399 0.000 0.911 8 Q HN 0.990 nan 8.270 nan 0.000 0.438 9 D N -0.026 120.323 120.400 -0.085 0.000 2.219 9 D HA -0.119 4.524 4.640 0.006 0.000 0.205 9 D C 1.762 178.042 176.300 -0.033 0.000 0.970 9 D CA 0.841 54.808 54.000 -0.056 0.000 0.851 9 D CB -0.369 40.403 40.800 -0.047 0.000 0.943 9 D HN 0.105 nan 8.370 nan 0.000 0.488 10 V N 0.791 120.691 119.914 -0.023 0.000 2.307 10 V HA -0.193 3.930 4.120 0.006 0.000 0.245 10 V C 2.910 179.003 176.094 -0.003 0.000 1.045 10 V CA 1.172 63.467 62.300 -0.008 0.000 1.024 10 V CB -0.387 31.438 31.823 0.003 0.000 0.651 10 V HN 0.105 nan 8.190 nan 0.000 0.449 11 V N 0.549 120.463 119.914 0.000 0.000 2.295 11 V HA -0.259 3.865 4.120 0.006 0.000 0.246 11 V C 2.755 178.847 176.094 -0.003 0.000 1.049 11 V CA 2.076 64.381 62.300 0.009 0.000 1.024 11 V CB -1.249 30.588 31.823 0.024 0.000 0.648 11 V HN 0.544 nan 8.190 nan 0.000 0.447 12 A N 0.081 122.890 122.820 -0.018 0.000 1.883 12 A HA -0.280 4.044 4.320 0.006 0.000 0.217 12 A C 2.433 180.007 177.584 -0.017 0.000 1.186 12 A CA 2.221 54.245 52.037 -0.022 0.000 0.624 12 A CB -0.628 18.351 19.000 -0.035 0.000 0.822 12 A HN 0.480 nan 8.150 nan 0.000 0.444 13 R N -0.569 119.922 120.500 -0.016 0.000 2.083 13 R HA -0.164 4.180 4.340 0.006 0.000 0.237 13 R C 1.720 178.015 176.300 -0.008 0.000 1.137 13 R CA 1.744 57.837 56.100 -0.012 0.000 0.951 13 R CB -0.229 30.064 30.300 -0.012 0.000 0.851 13 R HN 0.422 nan 8.270 nan 0.000 0.434 14 E N 0.195 120.393 120.200 -0.003 0.000 2.347 14 E HA -0.104 4.249 4.350 0.006 0.000 0.196 14 E C 1.354 177.954 176.600 -0.000 0.000 1.008 14 E CA 0.845 57.246 56.400 0.001 0.000 0.852 14 E CB -0.232 29.473 29.700 0.009 0.000 0.783 14 E HN 0.536 nan 8.360 nan 0.000 0.505 15 N N 0.497 119.194 118.700 -0.004 0.000 2.220 15 N HA -0.089 4.654 4.740 0.006 0.000 0.182 15 N C 1.204 176.707 175.510 -0.011 0.000 1.023 15 N CA 0.602 53.647 53.050 -0.008 0.000 0.856 15 N CB 0.179 38.660 38.487 -0.010 0.000 0.997 15 N HN 0.031 nan 8.380 nan 0.000 0.429 16 D N 1.058 121.451 120.400 -0.012 0.000 2.149 16 D HA -0.177 4.467 4.640 0.006 0.000 0.198 16 D C 1.792 178.086 176.300 -0.010 0.000 0.990 16 D CA 0.841 54.833 54.000 -0.013 0.000 0.839 16 D CB -0.185 40.607 40.800 -0.013 0.000 0.948 16 D HN 0.233 nan 8.370 nan 0.000 0.460 17 R N 0.775 121.271 120.500 -0.008 0.000 2.152 17 R HA -0.057 4.287 4.340 0.006 0.000 0.232 17 R C 1.380 177.677 176.300 -0.005 0.000 1.117 17 R CA 1.022 57.118 56.100 -0.006 0.000 0.981 17 R CB 0.190 30.488 30.300 -0.004 0.000 0.870 17 R HN 0.096 nan 8.270 nan 0.000 0.451 18 R N -1.283 119.213 120.500 -0.005 0.000 2.476 18 R HA 0.250 4.594 4.340 0.006 0.000 0.276 18 R C 1.601 177.897 176.300 -0.007 0.000 0.941 18 R CA 0.355 56.452 56.100 -0.005 0.000 1.088 18 R CB 0.765 31.063 30.300 -0.003 0.000 1.216 18 R HN 0.102 nan 8.270 nan 0.000 0.533 19 A N 0.943 123.756 122.820 -0.011 0.000 1.902 19 A HA -0.197 4.126 4.320 0.006 0.000 0.217 19 A C 2.144 179.722 177.584 -0.010 0.000 1.181 19 A CA 2.004 54.032 52.037 -0.016 0.000 0.623 19 A CB -0.468 18.521 19.000 -0.019 0.000 0.818 19 A HN 0.257 nan 8.150 nan 0.000 0.443 20 S N -0.467 115.229 115.700 -0.006 0.000 2.356 20 S HA -0.064 4.410 4.470 0.006 0.000 0.223 20 S C 2.196 176.798 174.600 0.004 0.000 1.032 20 S CA 1.679 59.879 58.200 -0.001 0.000 1.005 20 S CB -0.492 62.707 63.200 -0.002 0.000 0.867 20 S HN 0.830 nan 8.310 nan 0.000 0.449 21 A N 1.269 124.091 122.820 0.003 0.000 1.898 21 A HA 0.019 4.343 4.320 0.006 0.000 0.216 21 A C 2.153 179.747 177.584 0.016 0.000 1.181 21 A CA 1.620 53.660 52.037 0.007 0.000 0.620 21 A CB -0.884 18.117 19.000 0.003 0.000 0.819 21 A HN 0.576 nan 8.150 nan 0.000 0.442 22 L N 0.080 121.311 121.223 0.014 0.000 2.046 22 L HA -0.135 4.208 4.340 0.006 0.000 0.208 22 L C 2.248 179.152 176.870 0.056 0.000 1.077 22 L CA 2.693 57.550 54.840 0.028 0.000 0.747 22 L CB -0.641 41.419 42.059 0.001 0.000 0.896 22 L HN 0.455 nan 8.230 nan 0.000 0.432 23 K N -0.789 119.630 120.400 0.033 0.000 2.032 23 K HA -0.209 4.115 4.320 0.006 0.000 0.209 23 K C 1.965 178.612 176.600 0.079 0.000 1.048 23 K CA 1.725 58.043 56.287 0.052 0.000 0.927 23 K CB -0.067 32.446 32.500 0.021 0.000 0.712 23 K HN 0.369 nan 8.250 nan 0.000 0.441 24 E N 1.022 121.251 120.200 0.047 0.000 2.077 24 E HA -0.181 4.173 4.350 0.006 0.000 0.193 24 E C 1.795 178.417 176.600 0.038 0.000 0.989 24 E CA 1.176 57.597 56.400 0.035 0.000 0.800 24 E CB -0.260 29.451 29.700 0.017 0.000 0.746 24 E HN 0.438 nan 8.360 nan 0.000 0.452 25 D N -0.108 120.319 120.400 0.046 0.000 2.117 25 D HA -0.142 4.501 4.640 0.006 0.000 0.198 25 D C 1.944 178.274 176.300 0.049 0.000 0.982 25 D CA 0.725 54.745 54.000 0.034 0.000 0.828 25 D CB -0.403 40.415 40.800 0.031 0.000 0.967 25 D HN 0.192 nan 8.370 nan 0.000 0.464 26 Y N 1.923 122.208 120.300 -0.024 0.000 2.181 26 Y HA -0.163 4.391 4.550 0.006 0.000 0.288 26 Y C 2.187 178.074 175.900 -0.022 0.000 1.146 26 Y CA 1.601 59.687 58.100 -0.024 0.000 1.164 26 Y CB 0.044 38.492 38.460 -0.020 0.000 0.982 26 Y HN -0.047 nan 8.280 nan 0.000 0.515 27 E N -0.505 119.750 120.200 0.092 0.000 2.106 27 E HA -0.174 4.179 4.350 0.006 0.000 0.192 27 E C 2.304 178.873 176.600 -0.052 0.000 0.984 27 E CA 0.827 57.238 56.400 0.018 0.000 0.806 27 E CB -0.243 29.490 29.700 0.056 0.000 0.750 27 E HN 0.558 nan 8.360 nan 0.000 0.458 28 A N 1.037 123.831 122.820 -0.043 0.000 1.898 28 A HA -0.138 4.185 4.320 0.006 0.000 0.216 28 A C 2.113 179.642 177.584 -0.091 0.000 1.181 28 A CA 0.857 52.861 52.037 -0.054 0.000 0.620 28 A CB -0.414 18.563 19.000 -0.038 0.000 0.819 28 A HN 0.228 nan 8.150 nan 0.000 0.442 29 L N 0.165 121.311 121.223 -0.129 0.000 2.141 29 L HA 0.044 4.387 4.340 0.006 0.000 0.209 29 L C 2.287 179.032 176.870 -0.208 0.000 1.094 29 L CA 2.056 56.797 54.840 -0.165 0.000 0.763 29 L CB -0.977 40.967 42.059 -0.192 0.000 0.908 29 L HN 0.285 nan 8.230 nan 0.000 0.437 30 G N -1.051 107.586 108.800 -0.272 0.000 2.402 30 G HA2 -0.211 3.753 3.960 0.006 0.000 0.216 30 G HA3 -0.211 3.753 3.960 0.006 0.000 0.216 30 G C 1.579 176.397 174.900 -0.137 0.000 1.162 30 G CA 0.683 45.632 45.100 -0.253 0.000 0.777 30 G HN 0.593 nan 8.290 nan 0.000 0.539 31 A N 1.018 123.776 122.820 -0.102 0.000 1.930 31 A HA -0.077 4.247 4.320 0.006 0.000 0.217 31 A C 2.191 179.736 177.584 -0.065 0.000 1.175 31 A CA 1.790 53.787 52.037 -0.067 0.000 0.627 31 A CB -0.538 18.432 19.000 -0.050 0.000 0.815 31 A HN 0.445 nan 8.150 nan 0.000 0.443 32 N N 0.463 119.118 118.700 -0.075 0.000 2.106 32 N HA -0.114 4.629 4.740 0.006 0.000 0.188 32 N C 1.767 177.237 175.510 -0.067 0.000 1.029 32 N CA 1.593 54.603 53.050 -0.067 0.000 0.848 32 N CB -0.260 38.184 38.487 -0.073 0.000 1.007 32 N HN 0.489 nan 8.380 nan 0.000 0.423 33 L N 0.862 122.034 121.223 -0.085 0.000 2.083 33 L HA -0.103 4.241 4.340 0.006 0.000 0.209 33 L C 2.767 179.601 176.870 -0.060 0.000 1.083 33 L CA 1.122 55.915 54.840 -0.078 0.000 0.752 33 L CB -0.580 41.418 42.059 -0.102 0.000 0.899 33 L HN 0.194 nan 8.230 nan 0.000 0.433 34 A N 0.308 123.091 122.820 -0.061 0.000 1.883 34 A HA -0.227 4.097 4.320 0.006 0.000 0.217 34 A C 2.368 179.931 177.584 -0.034 0.000 1.186 34 A CA 1.570 53.580 52.037 -0.045 0.000 0.624 34 A CB -0.512 18.462 19.000 -0.043 0.000 0.822 34 A HN 0.329 nan 8.150 nan 0.000 0.444 35 R N -0.863 119.615 120.500 -0.035 0.000 2.193 35 R HA -0.047 4.296 4.340 0.006 0.000 0.229 35 R C 1.655 177.940 176.300 -0.024 0.000 1.110 35 R CA 1.273 57.357 56.100 -0.027 0.000 0.988 35 R CB -0.174 30.109 30.300 -0.028 0.000 0.871 35 R HN 0.461 nan 8.270 nan 0.000 0.458 36 R N -0.448 120.035 120.500 -0.028 0.000 2.334 36 R HA 0.108 4.452 4.340 0.006 0.000 0.220 36 R C 0.687 176.976 176.300 -0.020 0.000 0.917 36 R CA 0.450 56.537 56.100 -0.022 0.000 1.073 36 R CB 0.740 31.025 30.300 -0.026 0.000 1.056 36 R HN 0.290 nan 8.270 nan 0.000 0.506 37 G N 0.777 109.564 108.800 -0.022 0.000 2.176 37 G HA2 -0.242 3.722 3.960 0.006 0.000 0.252 37 G HA3 -0.242 3.722 3.960 0.006 0.000 0.252 37 G C -0.133 174.753 174.900 -0.023 0.000 1.024 37 G CA 0.115 45.203 45.100 -0.020 0.000 0.755 37 G HN 0.162 nan 8.290 nan 0.000 0.507 38 V N 0.200 120.095 119.914 -0.031 0.000 2.540 38 V HA 0.517 4.641 4.120 0.006 0.000 0.302 38 V C -0.288 175.780 176.094 -0.043 0.000 1.035 38 V CA -0.741 61.538 62.300 -0.036 0.000 0.873 38 V CB 2.018 33.815 31.823 -0.043 0.000 0.992 38 V HN 0.338 nan 8.190 nan 0.000 0.428 39 D N 3.491 123.870 120.400 -0.034 0.000 2.365 39 D HA 0.181 4.825 4.640 0.006 0.000 0.237 39 D C 1.025 177.301 176.300 -0.040 0.000 1.190 39 D CA -0.090 53.891 54.000 -0.031 0.000 0.867 39 D CB 0.989 41.782 40.800 -0.013 0.000 1.050 39 D HN 0.541 nan 8.370 nan 0.000 0.491 40 I N 2.989 123.517 120.570 -0.071 0.000 2.315 40 I HA -0.274 3.900 4.170 0.006 0.000 0.251 40 I C 1.756 177.866 176.117 -0.012 0.000 1.125 40 I CA 1.339 62.578 61.300 -0.102 0.000 1.392 40 I CB 0.248 38.091 38.000 -0.262 0.000 1.065 40 I HN 0.431 nan 8.210 nan 0.000 0.424 41 E N 1.339 121.558 120.200 0.033 0.000 2.106 41 E HA -0.197 4.156 4.350 0.006 0.000 0.192 41 E C 1.990 178.621 176.600 0.052 0.000 0.984 41 E CA 1.669 58.119 56.400 0.083 0.000 0.806 41 E CB -0.288 29.456 29.700 0.073 0.000 0.750 41 E HN 0.544 nan 8.360 nan 0.000 0.458 42 A N 0.076 122.911 122.820 0.024 0.000 1.933 42 A HA -0.117 4.206 4.320 0.006 0.000 0.218 42 A C 2.460 180.051 177.584 0.011 0.000 1.175 42 A CA 1.647 53.694 52.037 0.018 0.000 0.628 42 A CB -0.662 18.341 19.000 0.004 0.000 0.814 42 A HN 0.200 nan 8.150 nan 0.000 0.444 43 V N -0.502 119.408 119.914 -0.007 0.000 2.307 43 V HA -0.199 3.924 4.120 0.006 0.000 0.245 43 V C 2.703 178.801 176.094 0.006 0.000 1.045 43 V CA 2.393 64.674 62.300 -0.032 0.000 1.024 43 V CB -1.407 30.378 31.823 -0.063 0.000 0.651 43 V HN 0.570 nan 8.190 nan 0.000 0.449 44 T N 0.714 115.297 114.554 0.049 0.000 2.720 44 T HA -0.202 4.152 4.350 0.006 0.000 0.268 44 T C 2.061 176.800 174.700 0.066 0.000 1.037 44 T CA 1.717 63.869 62.100 0.086 0.000 1.144 44 T CB -0.470 68.499 68.868 0.169 0.000 0.864 44 T HN 0.569 nan 8.240 nan 0.000 0.444 45 A N 1.593 124.450 122.820 0.061 0.000 1.933 45 A HA -0.124 4.200 4.320 0.006 0.000 0.218 45 A C 2.277 179.898 177.584 0.062 0.000 1.175 45 A CA 1.486 53.556 52.037 0.055 0.000 0.628 45 A CB -0.359 18.671 19.000 0.051 0.000 0.814 45 A HN 0.460 nan 8.150 nan 0.000 0.444 46 K N -0.565 119.882 120.400 0.078 0.000 2.116 46 K HA 0.011 4.334 4.320 0.006 0.000 0.203 46 K C 1.862 178.586 176.600 0.207 0.000 1.052 46 K CA 1.139 57.510 56.287 0.140 0.000 0.952 46 K CB -0.270 32.320 32.500 0.151 0.000 0.729 46 K HN 0.297 nan 8.250 nan 0.000 0.446 47 V N 2.293 122.306 119.914 0.166 0.000 2.343 47 V HA -0.234 3.890 4.120 0.006 0.000 0.247 47 V C 1.826 177.954 176.094 0.057 0.000 1.051 47 V CA 1.790 64.189 62.300 0.165 0.000 1.036 47 V CB -0.482 31.383 31.823 0.069 0.000 0.654 47 V HN 0.344 nan 8.190 nan 0.000 0.451 48 E N -0.001 120.217 120.200 0.031 0.000 2.333 48 E HA -0.210 4.143 4.350 0.006 0.000 0.198 48 E C 1.766 178.306 176.600 -0.100 0.000 1.007 48 E CA 0.866 57.272 56.400 0.010 0.000 0.845 48 E CB -0.118 29.607 29.700 0.041 0.000 0.766 48 E HN 0.601 nan 8.360 nan 0.000 0.507 49 K N 0.014 120.297 120.400 -0.196 0.000 2.358 49 K HA 0.089 4.413 4.320 0.006 0.000 0.197 49 K C -0.087 175.896 176.600 -1.028 0.000 1.025 49 K CA -0.307 55.681 56.287 -0.498 0.000 1.104 49 K CB 0.331 32.730 32.500 -0.168 0.000 0.855 49 K HN -0.029 nan 8.250 nan 0.000 0.531 50 F N 1.560 120.996 119.950 -0.857 0.000 2.424 50 F HA 0.307 4.838 4.527 0.006 0.000 0.356 50 F C -0.690 174.632 175.800 -0.797 0.000 1.110 50 F CA -0.963 56.541 58.000 -0.826 0.000 1.161 50 F CB 0.343 38.895 39.000 -0.745 0.000 1.115 50 F HN -0.224 nan 8.300 nan 0.000 0.507 51 F N 5.294 124.863 119.950 -0.636 0.000 2.546 51 F HA 0.670 5.200 4.527 0.006 0.000 0.320 51 F C -0.560 175.005 175.800 -0.392 0.000 1.076 51 F CA -1.411 56.388 58.000 -0.335 0.000 0.928 51 F CB 1.576 40.450 39.000 -0.209 0.000 1.189 51 F HN 0.246 nan 8.300 nan 0.000 0.465 52 V N 1.972 121.953 119.914 0.112 0.000 2.709 52 V HA 0.873 4.997 4.120 0.006 0.000 0.308 52 V C -0.684 175.490 176.094 0.133 0.000 1.062 52 V CA -0.763 61.641 62.300 0.172 0.000 0.901 52 V CB 1.541 33.531 31.823 0.277 0.000 1.003 52 V HN 1.052 nan 8.190 nan 0.000 0.425 53 A N 5.571 128.468 122.820 0.128 0.000 2.371 53 A HA 0.680 5.004 4.320 0.006 0.000 0.257 53 A C -0.314 177.280 177.584 0.016 0.000 1.089 53 A CA -0.198 51.871 52.037 0.052 0.000 0.794 53 A CB 0.850 19.885 19.000 0.058 0.000 1.029 53 A HN 1.080 nan 8.150 nan 0.000 0.488 54 V N 4.534 124.420 119.914 -0.048 0.000 2.472 54 V HA 0.404 4.527 4.120 0.006 0.000 0.290 54 V C -2.004 173.952 176.094 -0.230 0.000 1.037 54 V CA -1.449 60.785 62.300 -0.110 0.000 0.908 54 V CB 1.749 33.515 31.823 -0.096 0.000 0.985 54 V HN 0.870 nan 8.190 nan 0.000 0.454 55 P HA 0.146 nan 4.420 nan 0.000 0.281 55 P C 0.683 177.578 177.300 -0.676 0.000 1.252 55 P CA -0.141 62.355 63.100 -1.006 0.000 0.778 55 P CB 1.442 32.117 31.700 -1.709 0.000 0.895 56 S N 2.979 118.465 115.700 -0.356 0.000 2.382 56 S HA -0.175 4.299 4.470 0.006 0.000 0.228 56 S C 1.446 176.087 174.600 0.069 0.000 1.027 56 S CA 0.675 58.872 58.200 -0.005 0.000 0.991 56 S CB -1.416 61.915 63.200 0.219 0.000 0.823 56 S HN 0.689 nan 8.310 nan 0.000 0.469 57 W N 1.777 123.197 121.300 0.200 0.000 3.077 57 W HA 0.580 5.243 4.660 0.006 0.000 0.245 57 W C 1.538 178.105 176.519 0.080 0.000 1.316 57 W CA -0.330 57.091 57.345 0.127 0.000 1.537 57 W CB -0.674 28.920 29.460 0.224 0.000 1.131 57 W HN 0.219 nan 8.180 nan 0.000 0.695 58 G N 0.962 109.633 108.800 -0.216 0.000 2.796 58 G HA2 -0.016 3.948 3.960 0.006 0.000 0.210 58 G HA3 -0.016 3.948 3.960 0.006 0.000 0.210 58 G C 1.146 176.118 174.900 0.121 0.000 1.146 58 G CA 0.676 45.749 45.100 -0.046 0.000 0.779 58 G HN 0.391 nan 8.290 nan 0.000 0.535 59 V N -1.299 118.638 119.914 0.038 0.000 3.461 59 V HA 0.412 4.536 4.120 0.006 0.000 0.267 59 V C 1.201 177.340 176.094 0.075 0.000 1.186 59 V CA 0.242 62.565 62.300 0.039 0.000 1.154 59 V CB -0.526 31.312 31.823 0.025 0.000 0.802 59 V HN 0.189 nan 8.190 nan 0.000 0.474 60 G N 0.014 108.869 108.800 0.092 0.000 2.412 60 G HA2 0.486 4.450 3.960 0.006 0.000 0.318 60 G HA3 0.486 4.450 3.960 0.006 0.000 0.318 60 G C -0.301 174.662 174.900 0.105 0.000 1.146 60 G CA -0.335 44.814 45.100 0.081 0.000 0.882 60 G HN 0.179 nan 8.290 nan 0.000 0.501 61 T N 0.675 115.284 114.554 0.093 0.000 2.916 61 T HA 0.445 4.799 4.350 0.006 0.000 0.303 61 T C 1.018 175.769 174.700 0.086 0.000 1.025 61 T CA 0.605 62.774 62.100 0.114 0.000 1.142 61 T CB 1.085 70.020 68.868 0.111 0.000 0.947 61 T HN 0.708 nan 8.240 nan 0.000 0.544 62 G N 0.839 109.699 108.800 0.100 0.000 2.557 62 G HA2 0.749 4.712 3.960 0.006 0.000 0.302 62 G HA3 0.749 4.712 3.960 0.006 0.000 0.302 62 G C -0.086 174.851 174.900 0.061 0.000 1.311 62 G CA -0.333 44.802 45.100 0.059 0.000 1.030 62 G HN 0.988 nan 8.290 nan 0.000 0.509 63 G N -2.084 106.738 108.800 0.038 0.000 2.663 63 G HA2 0.707 4.670 3.960 0.006 0.000 0.299 63 G HA3 0.707 4.670 3.960 0.006 0.000 0.299 63 G C -0.486 174.443 174.900 0.048 0.000 1.372 63 G CA 0.432 45.556 45.100 0.040 0.000 0.781 63 G HN 1.181 nan 8.290 nan 0.000 0.491 64 T N -3.063 111.528 114.554 0.062 0.000 2.807 64 T HA 0.461 4.815 4.350 0.006 0.000 0.277 64 T C 1.435 176.139 174.700 0.006 0.000 1.006 64 T CA -0.045 62.099 62.100 0.075 0.000 1.006 64 T CB 1.678 70.655 68.868 0.182 0.000 1.274 64 T HN 0.818 nan 8.240 nan 0.000 0.569 65 R N -0.581 119.873 120.500 -0.077 0.000 2.237 65 R HA 0.103 4.447 4.340 0.006 0.000 0.219 65 R C 1.219 177.335 176.300 -0.308 0.000 1.080 65 R CA 1.166 57.133 56.100 -0.221 0.000 0.995 65 R CB -0.710 29.390 30.300 -0.334 0.000 0.875 65 R HN 0.497 nan 8.270 nan 0.000 0.462 66 F N 0.907 120.864 119.950 0.011 0.000 2.387 66 F HA 0.376 4.906 4.527 0.005 0.000 0.294 66 F C 1.136 176.908 175.800 -0.046 0.000 1.093 66 F CA 0.621 58.623 58.000 0.003 0.000 1.420 66 F CB 0.324 39.343 39.000 0.033 0.000 1.086 66 F HN 0.224 nan 8.300 nan 0.000 0.531 67 A N -0.490 122.369 122.820 0.065 0.000 2.544 67 A HA 0.662 4.986 4.320 0.006 0.000 0.291 67 A C -1.232 176.160 177.584 -0.320 0.000 1.055 67 A CA -0.841 51.078 52.037 -0.197 0.000 0.651 67 A CB 1.059 19.846 19.000 -0.356 0.000 1.296 67 A HN 0.047 nan 8.150 nan 0.000 0.431 68 R N 0.090 120.277 120.500 -0.522 0.000 2.575 68 R HA 0.704 5.047 4.340 0.006 0.000 0.293 68 R C -2.151 173.813 176.300 -0.560 0.000 0.983 68 R CA -0.477 55.402 56.100 -0.368 0.000 0.887 68 R CB 0.942 31.141 30.300 -0.167 0.000 1.184 68 R HN 0.573 nan 8.270 nan 0.000 0.445 69 F N 5.601 125.578 119.950 0.045 0.000 2.453 69 F HA 0.349 4.880 4.527 0.006 0.000 0.358 69 F C -1.804 174.021 175.800 0.042 0.000 1.129 69 F CA -2.110 55.915 58.000 0.042 0.000 1.200 69 F CB 1.275 40.302 39.000 0.045 0.000 1.431 69 F HN 0.279 nan 8.300 nan 0.000 0.503 70 P HA 0.205 nan 4.420 nan 0.000 0.271 70 P C 0.359 177.728 177.300 0.114 0.000 1.216 70 P CA 0.130 63.294 63.100 0.106 0.000 0.776 70 P CB 1.624 33.359 31.700 0.059 0.000 0.881 71 G N 1.847 110.707 108.800 0.100 0.000 2.543 71 G HA2 0.480 4.443 3.960 0.006 0.000 0.267 71 G HA3 0.480 4.443 3.960 0.006 0.000 0.267 71 G C -0.177 174.762 174.900 0.066 0.000 1.406 71 G CA -0.338 44.814 45.100 0.086 0.000 1.048 71 G HN 0.637 nan 8.290 nan 0.000 0.548 72 T N -3.524 111.064 114.554 0.056 0.000 2.874 72 T HA 0.451 4.804 4.350 0.006 0.000 0.281 72 T C 1.191 175.912 174.700 0.034 0.000 0.994 72 T CA 0.676 62.799 62.100 0.038 0.000 1.015 72 T CB 1.035 69.918 68.868 0.025 0.000 1.028 72 T HN 2.126 nan 8.240 nan 0.000 0.523 73 G N 1.310 110.119 108.800 0.016 0.000 2.356 73 G HA2 -0.193 3.771 3.960 0.006 0.000 0.296 73 G HA3 -0.193 3.771 3.960 0.006 0.000 0.296 73 G C -0.078 174.841 174.900 0.031 0.000 1.022 73 G CA -0.165 44.938 45.100 0.005 0.000 0.961 73 G HN 0.867 nan 8.290 nan 0.000 0.510 74 E N 0.962 121.186 120.200 0.039 0.000 2.344 74 E HA 0.186 4.539 4.350 0.006 0.000 0.270 74 E C -1.607 175.023 176.600 0.051 0.000 1.021 74 E CA -1.480 54.950 56.400 0.050 0.000 0.887 74 E CB 0.904 30.630 29.700 0.044 0.000 0.997 74 E HN 0.365 nan 8.360 nan 0.000 0.429 75 P HA 0.066 nan 4.420 nan 0.000 0.268 75 P C 0.281 177.622 177.300 0.067 0.000 1.204 75 P CA 0.081 63.227 63.100 0.076 0.000 0.768 75 P CB 1.018 32.773 31.700 0.091 0.000 0.842 76 R N 1.873 122.419 120.500 0.078 0.000 2.055 76 R HA 0.139 4.482 4.340 0.006 0.000 0.228 76 R C 1.480 177.830 176.300 0.083 0.000 1.143 76 R CA 1.716 57.861 56.100 0.075 0.000 0.945 76 R CB -0.351 29.999 30.300 0.084 0.000 0.841 76 R HN 0.660 nan 8.270 nan 0.000 0.429 77 G N -1.064 107.802 108.800 0.111 0.000 3.021 77 G HA2 0.229 4.192 3.960 0.006 0.000 0.290 77 G HA3 0.229 4.192 3.960 0.006 0.000 0.290 77 G C 0.021 174.969 174.900 0.080 0.000 1.291 77 G CA -0.634 44.527 45.100 0.102 0.000 0.834 77 G HN 0.060 nan 8.290 nan 0.000 0.564 78 I N -0.507 120.060 120.570 -0.005 0.000 2.248 78 I HA -0.091 4.082 4.170 0.006 0.000 0.248 78 I C 2.297 178.353 176.117 -0.103 0.000 1.107 78 I CA 1.570 62.816 61.300 -0.090 0.000 1.373 78 I CB -0.391 37.461 38.000 -0.248 0.000 1.055 78 I HN 0.379 nan 8.210 nan 0.000 0.418 79 F N 0.764 120.781 119.950 0.112 0.000 2.134 79 F HA -0.195 4.336 4.527 0.006 0.000 0.299 79 F C 2.430 178.288 175.800 0.096 0.000 1.097 79 F CA 1.705 59.766 58.000 0.101 0.000 1.264 79 F CB -1.080 37.970 39.000 0.083 0.000 1.001 79 F HN 0.120 nan 8.300 nan 0.000 0.479 80 D N 0.254 120.808 120.400 0.256 0.000 2.144 80 D HA -0.128 4.515 4.640 0.006 0.000 0.199 80 D C 2.119 178.514 176.300 0.158 0.000 0.984 80 D CA 1.090 55.200 54.000 0.183 0.000 0.834 80 D CB -0.265 40.620 40.800 0.142 0.000 0.955 80 D HN 0.281 nan 8.370 nan 0.000 0.465 81 K N 0.301 120.780 120.400 0.132 0.000 2.057 81 K HA -0.048 4.275 4.320 0.006 0.000 0.207 81 K C 2.331 178.991 176.600 0.100 0.000 1.049 81 K CA 0.540 56.892 56.287 0.108 0.000 0.931 81 K CB -0.093 32.465 32.500 0.097 0.000 0.714 81 K HN 0.145 nan 8.250 nan 0.000 0.440 82 L N 1.142 122.434 121.223 0.115 0.000 2.083 82 L HA -0.213 4.131 4.340 0.006 0.000 0.209 82 L C 1.854 178.779 176.870 0.092 0.000 1.083 82 L CA 1.047 55.949 54.840 0.104 0.000 0.752 82 L CB -0.441 41.708 42.059 0.151 0.000 0.899 82 L HN 0.192 nan 8.230 nan 0.000 0.433 83 D N 0.058 120.541 120.400 0.138 0.000 2.117 83 D HA -0.176 4.467 4.640 0.006 0.000 0.197 83 D C 1.743 178.128 176.300 0.141 0.000 0.987 83 D CA 1.225 55.312 54.000 0.146 0.000 0.829 83 D CB -0.145 40.771 40.800 0.193 0.000 0.961 83 D HN 0.299 nan 8.370 nan 0.000 0.460 84 D N -0.409 120.087 120.400 0.160 0.000 2.183 84 D HA -0.065 4.578 4.640 0.006 0.000 0.203 84 D C 2.107 178.409 176.300 0.003 0.000 0.969 84 D CA 0.375 54.460 54.000 0.142 0.000 0.842 84 D CB -0.444 40.464 40.800 0.179 0.000 0.957 84 D HN 0.212 nan 8.370 nan 0.000 0.484 85 C N 0.983 120.282 119.300 -0.003 0.000 2.432 85 C HA 0.047 4.511 4.460 0.006 0.000 0.280 85 C C 2.814 177.753 174.990 -0.085 0.000 1.353 85 C CA 0.520 59.506 59.018 -0.053 0.000 1.766 85 C CB -0.953 26.759 27.740 -0.047 0.000 1.924 85 C HN 0.344 nan 8.230 nan 0.000 0.509 86 A N 0.308 123.084 122.820 -0.073 0.000 1.972 86 A HA -0.083 4.240 4.320 0.006 0.000 0.219 86 A C 2.237 179.741 177.584 -0.133 0.000 1.169 86 A CA 1.908 53.882 52.037 -0.104 0.000 0.635 86 A CB -0.522 18.432 19.000 -0.078 0.000 0.810 86 A HN 0.390 nan 8.150 nan 0.000 0.446 87 V N 0.146 119.961 119.914 -0.165 0.000 2.379 87 V HA -0.235 3.889 4.120 0.006 0.000 0.245 87 V C 2.389 178.390 176.094 -0.154 0.000 1.044 87 V CA 1.886 64.055 62.300 -0.217 0.000 1.036 87 V CB -0.637 30.944 31.823 -0.404 0.000 0.664 87 V HN 0.585 nan 8.190 nan 0.000 0.453 88 I N 0.097 120.577 120.570 -0.149 0.000 2.179 88 I HA -0.291 3.883 4.170 0.006 0.000 0.242 88 I C 2.646 178.707 176.117 -0.094 0.000 1.088 88 I CA 1.847 63.069 61.300 -0.130 0.000 1.357 88 I CB -0.417 37.508 38.000 -0.125 0.000 1.051 88 I HN 0.353 nan 8.210 nan 0.000 0.409 89 Q N 1.149 120.889 119.800 -0.099 0.000 2.079 89 Q HA -0.253 4.090 4.340 0.006 0.000 0.200 89 Q C 2.145 178.097 176.000 -0.080 0.000 0.974 89 Q CA 1.723 57.471 55.803 -0.093 0.000 0.840 89 Q CB -0.368 28.292 28.738 -0.130 0.000 0.898 89 Q HN 0.464 nan 8.270 nan 0.000 0.430 90 Q N -0.629 119.116 119.800 -0.091 0.000 2.084 90 Q HA -0.115 4.229 4.340 0.006 0.000 0.202 90 Q C 1.888 177.879 176.000 -0.015 0.000 0.978 90 Q CA 1.504 57.269 55.803 -0.064 0.000 0.844 90 Q CB 0.014 28.713 28.738 -0.064 0.000 0.898 90 Q HN 0.517 nan 8.270 nan 0.000 0.426 91 L N -0.545 120.664 121.223 -0.023 0.000 2.249 91 L HA -0.033 4.311 4.340 0.006 0.000 0.207 91 L C 2.502 179.370 176.870 -0.003 0.000 1.090 91 L CA 1.422 56.260 54.840 -0.003 0.000 0.802 91 L CB -0.293 41.764 42.059 -0.003 0.000 0.947 91 L HN 0.329 nan 8.230 nan 0.000 0.453 92 T N -4.864 109.682 114.554 -0.013 0.000 3.040 92 T HA 0.052 4.405 4.350 0.006 0.000 0.252 92 T C 1.151 175.872 174.700 0.034 0.000 1.064 92 T CA -0.325 61.776 62.100 0.003 0.000 1.110 92 T CB 0.201 69.066 68.868 -0.006 0.000 0.921 92 T HN 0.100 nan 8.240 nan 0.000 0.480 93 R N 0.396 120.913 120.500 0.029 0.000 3.863 93 R HA -0.158 4.186 4.340 0.006 0.000 0.313 93 R C 0.846 177.251 176.300 0.175 0.000 1.202 93 R CA 0.874 57.013 56.100 0.065 0.000 0.852 93 R CB -2.410 27.937 30.300 0.079 0.000 1.292 93 R HN 0.718 nan 8.270 nan 0.000 0.519 94 A N -0.401 122.510 122.820 0.151 0.000 2.469 94 A HA 0.165 4.488 4.320 0.006 0.000 0.245 94 A C 0.853 178.568 177.584 0.219 0.000 1.221 94 A CA 0.828 53.029 52.037 0.272 0.000 0.946 94 A CB 0.522 19.621 19.000 0.166 0.000 1.049 94 A HN 0.290 nan 8.150 nan 0.000 0.529 95 T N -2.396 112.193 114.554 0.058 0.000 3.585 95 T HA 0.355 4.708 4.350 0.006 0.000 0.252 95 T C -1.930 172.695 174.700 -0.126 0.000 1.382 95 T CA -1.040 61.050 62.100 -0.016 0.000 1.584 95 T CB 1.025 69.877 68.868 -0.026 0.000 0.892 95 T HN 0.092 nan 8.240 nan 0.000 0.671 96 P HA 0.048 nan 4.420 nan 0.000 0.229 96 P C -0.223 176.910 177.300 -0.278 0.000 1.160 96 P CA 0.375 63.283 63.100 -0.321 0.000 0.777 96 P CB 0.260 31.635 31.700 -0.543 0.000 0.814 97 N N -0.105 118.466 118.700 -0.214 0.000 2.361 97 N HA 0.312 5.056 4.740 0.006 0.000 0.302 97 N C -0.788 174.649 175.510 -0.122 0.000 1.074 97 N CA -0.575 52.364 53.050 -0.186 0.000 0.850 97 N CB 2.615 41.028 38.487 -0.123 0.000 1.228 97 N HN -0.231 nan 8.380 nan 0.000 0.491 98 V N 0.505 120.347 119.914 -0.120 0.000 2.513 98 V HA 0.364 4.487 4.120 0.006 0.000 0.299 98 V C 0.320 176.495 176.094 0.134 0.000 1.035 98 V CA -0.727 61.567 62.300 -0.009 0.000 0.889 98 V CB 1.798 33.631 31.823 0.017 0.000 0.988 98 V HN 0.629 nan 8.190 nan 0.000 0.440 99 S N 4.730 120.485 115.700 0.092 0.000 2.457 99 S HA 0.678 5.152 4.470 0.006 0.000 0.289 99 S C -0.561 174.213 174.600 0.290 0.000 1.163 99 S CA -0.539 57.770 58.200 0.182 0.000 1.078 99 S CB 0.147 63.438 63.200 0.153 0.000 0.987 99 S HN 0.526 nan 8.310 nan 0.000 0.482 100 L N 4.535 125.945 121.223 0.312 0.000 2.360 100 L HA 0.532 4.876 4.340 0.006 0.000 0.271 100 L C 0.117 177.215 176.870 0.379 0.000 1.057 100 L CA -0.892 54.143 54.840 0.326 0.000 0.803 100 L CB 1.003 43.141 42.059 0.132 0.000 1.207 100 L HN 0.615 nan 8.230 nan 0.000 0.445 101 H N 3.145 122.423 119.070 0.347 0.000 2.609 101 H HA 0.464 5.024 4.556 0.006 0.000 0.344 101 H C -1.067 174.274 175.328 0.022 0.000 1.040 101 H CA -0.551 55.586 56.048 0.147 0.000 1.216 101 H CB 1.720 31.568 29.762 0.144 0.000 1.529 101 H HN 0.232 nan 8.280 nan 0.000 0.519 102 I N 6.699 127.313 120.570 0.074 0.000 2.460 102 I HA 0.204 4.377 4.170 0.006 0.000 0.298 102 I C -1.660 174.471 176.117 0.023 0.000 0.989 102 I CA -2.664 58.669 61.300 0.054 0.000 1.173 102 I CB 1.754 39.746 38.000 -0.012 0.000 1.338 102 I HN 0.453 nan 8.210 nan 0.000 0.456 103 P HA -0.022 nan 4.420 nan 0.000 0.249 103 P C 1.065 178.476 177.300 0.186 0.000 1.229 103 P CA 0.391 63.541 63.100 0.083 0.000 0.788 103 P CB 0.193 31.946 31.700 0.088 0.000 1.072 104 W N 1.891 123.254 121.300 0.105 0.000 2.321 104 W HA -0.105 4.558 4.660 0.006 0.000 0.306 104 W C 0.874 177.443 176.519 0.084 0.000 1.217 104 W CA 1.110 58.508 57.345 0.088 0.000 1.257 104 W CB -1.541 27.978 29.460 0.099 0.000 1.145 104 W HN 0.133 nan 8.180 nan 0.000 0.509 105 D N -0.541 120.047 120.400 0.314 0.000 2.463 105 D HA 0.035 4.679 4.640 0.006 0.000 0.224 105 D C 0.295 176.621 176.300 0.044 0.000 1.174 105 D CA -0.030 54.062 54.000 0.153 0.000 0.829 105 D CB -0.131 40.765 40.800 0.159 0.000 0.993 105 D HN 0.063 nan 8.370 nan 0.000 0.497 106 K N 1.337 121.779 120.400 0.069 0.000 2.451 106 K HA 0.329 4.653 4.320 0.006 0.000 0.280 106 K C -0.457 176.148 176.600 0.009 0.000 1.020 106 K CA 0.066 56.369 56.287 0.026 0.000 1.008 106 K CB 0.426 32.955 32.500 0.047 0.000 0.917 106 K HN 0.082 nan 8.250 nan 0.000 0.478 107 A N 3.580 126.393 122.820 -0.011 0.000 2.544 107 A HA 0.166 4.489 4.320 0.006 0.000 0.291 107 A C -1.625 175.983 177.584 0.041 0.000 1.055 107 A CA -0.917 51.137 52.037 0.028 0.000 0.651 107 A CB 0.623 19.596 19.000 -0.046 0.000 1.296 107 A HN 0.829 nan 8.150 nan 0.000 0.431 108 D N 0.972 121.436 120.400 0.106 0.000 2.520 108 D HA 0.272 4.916 4.640 0.006 0.000 0.243 108 D C -1.461 174.878 176.300 0.065 0.000 1.160 108 D CA -0.366 53.685 54.000 0.085 0.000 0.877 108 D CB 0.846 41.712 40.800 0.111 0.000 1.150 108 D HN 0.148 nan 8.370 nan 0.000 0.494 109 P HA -0.186 nan 4.420 nan 0.000 0.216 109 P C 0.820 178.137 177.300 0.029 0.000 1.153 109 P CA 1.397 64.488 63.100 -0.016 0.000 0.858 109 P CB 0.191 31.876 31.700 -0.025 0.000 0.789 110 K N -0.334 120.097 120.400 0.051 0.000 2.097 110 K HA -0.167 4.157 4.320 0.006 0.000 0.206 110 K C 2.062 178.726 176.600 0.108 0.000 1.049 110 K CA 1.304 57.633 56.287 0.068 0.000 0.933 110 K CB -0.261 32.271 32.500 0.053 0.000 0.717 110 K HN 0.280 nan 8.250 nan 0.000 0.442 111 E N 0.659 120.948 120.200 0.147 0.000 2.072 111 E HA -0.110 4.243 4.350 0.006 0.000 0.190 111 E C 2.065 178.868 176.600 0.338 0.000 0.982 111 E CA 0.640 57.178 56.400 0.229 0.000 0.803 111 E CB 0.036 29.923 29.700 0.313 0.000 0.755 111 E HN 0.201 nan 8.360 nan 0.000 0.453 112 L N 0.924 122.303 121.223 0.260 0.000 1.994 112 L HA -0.226 4.118 4.340 0.006 0.000 0.208 112 L C 2.573 179.636 176.870 0.323 0.000 1.071 112 L CA 1.172 56.136 54.840 0.205 0.000 0.745 112 L CB -0.422 41.567 42.059 -0.116 0.000 0.892 112 L HN 0.023 nan 8.230 nan 0.000 0.431 113 K N 0.587 121.123 120.400 0.227 0.000 2.044 113 K HA -0.190 4.133 4.320 0.006 0.000 0.210 113 K C 1.993 178.726 176.600 0.223 0.000 1.049 113 K CA 1.860 58.319 56.287 0.287 0.000 0.927 113 K CB -0.524 32.074 32.500 0.162 0.000 0.713 113 K HN 0.270 nan 8.250 nan 0.000 0.443 114 A N 0.369 123.293 122.820 0.172 0.000 1.902 114 A HA -0.149 4.175 4.320 0.006 0.000 0.217 114 A C 2.210 179.874 177.584 0.133 0.000 1.181 114 A CA 1.907 54.019 52.037 0.125 0.000 0.623 114 A CB -0.570 18.489 19.000 0.099 0.000 0.818 114 A HN 0.314 nan 8.150 nan 0.000 0.443 115 R N -0.043 120.580 120.500 0.204 0.000 2.075 115 R HA -0.020 4.324 4.340 0.006 0.000 0.232 115 R C 2.198 178.583 176.300 0.141 0.000 1.126 115 R CA 1.794 58.016 56.100 0.203 0.000 0.963 115 R CB -1.373 29.143 30.300 0.359 0.000 0.858 115 R HN 0.389 nan 8.270 nan 0.000 0.435 116 G N 0.409 109.308 108.800 0.166 0.000 2.440 116 G HA2 -0.264 3.700 3.960 0.006 0.000 0.218 116 G HA3 -0.264 3.700 3.960 0.006 0.000 0.218 116 G C 0.959 175.818 174.900 -0.069 0.000 1.154 116 G CA 1.113 46.193 45.100 -0.034 0.000 0.767 116 G HN 0.355 nan 8.290 nan 0.000 0.552 117 D N 1.185 121.583 120.400 -0.004 0.000 2.097 117 D HA -0.058 4.585 4.640 0.006 0.000 0.195 117 D C 2.838 179.117 176.300 -0.034 0.000 0.989 117 D CA 1.277 55.262 54.000 -0.025 0.000 0.827 117 D CB -0.588 40.219 40.800 0.011 0.000 0.966 117 D HN 0.319 nan 8.370 nan 0.000 0.456 118 A N 0.670 123.487 122.820 -0.006 0.000 1.978 118 A HA -0.107 4.216 4.320 0.006 0.000 0.220 118 A C 2.274 179.830 177.584 -0.048 0.000 1.170 118 A CA 0.962 52.991 52.037 -0.013 0.000 0.636 118 A CB -0.622 18.387 19.000 0.016 0.000 0.810 118 A HN 0.230 nan 8.150 nan 0.000 0.448 119 L N -1.491 119.699 121.223 -0.055 0.000 2.567 119 L HA 0.240 4.584 4.340 0.006 0.000 0.225 119 L C 1.438 178.218 176.870 -0.150 0.000 1.119 119 L CA 0.420 55.204 54.840 -0.094 0.000 0.871 119 L CB -0.155 41.868 42.059 -0.059 0.000 1.036 119 L HN 0.548 nan 8.230 nan 0.000 0.459 120 G N 1.326 110.039 108.800 -0.146 0.000 2.256 120 G HA2 -0.250 3.714 3.960 0.006 0.000 0.272 120 G HA3 -0.250 3.714 3.960 0.006 0.000 0.272 120 G C -0.282 174.493 174.900 -0.209 0.000 1.076 120 G CA -0.097 44.900 45.100 -0.172 0.000 0.882 120 G HN 0.216 nan 8.290 nan 0.000 0.497 121 L N -0.481 120.600 121.223 -0.237 0.000 2.381 121 L HA 0.820 5.163 4.340 0.006 0.000 0.268 121 L C 0.932 177.514 176.870 -0.480 0.000 0.997 121 L CA -0.555 54.084 54.840 -0.335 0.000 0.818 121 L CB 2.105 43.962 42.059 -0.336 0.000 1.310 121 L HN 0.275 nan 8.230 nan 0.000 0.416 122 G N 0.658 109.158 108.800 -0.500 0.000 2.887 122 G HA2 0.745 4.708 3.960 0.006 0.000 0.277 122 G HA3 0.745 4.708 3.960 0.006 0.000 0.277 122 G C -1.540 172.917 174.900 -0.738 0.000 1.346 122 G CA -0.381 44.409 45.100 -0.516 0.000 1.058 122 G HN 0.257 nan 8.290 nan 0.000 0.535 123 F N -0.220 119.704 119.950 -0.044 0.000 2.529 123 F HA 0.380 4.910 4.527 0.006 0.000 0.320 123 F C 0.371 176.142 175.800 -0.048 0.000 1.118 123 F CA -0.908 57.073 58.000 -0.031 0.000 0.915 123 F CB 2.225 41.220 39.000 -0.008 0.000 1.161 123 F HN 0.374 nan 8.300 nan 0.000 0.445 124 D N 1.014 121.499 120.400 0.142 0.000 2.430 124 D HA 0.524 5.168 4.640 0.006 0.000 0.285 124 D C -0.061 176.271 176.300 0.053 0.000 1.210 124 D CA -0.226 53.813 54.000 0.066 0.000 1.080 124 D CB 1.259 42.104 40.800 0.075 0.000 1.134 124 D HN 0.622 nan 8.370 nan 0.000 0.562 125 A N 0.521 123.376 122.820 0.058 0.000 2.520 125 A HA 0.184 4.508 4.320 0.006 0.000 0.235 125 A C 0.523 178.157 177.584 0.083 0.000 1.065 125 A CA 0.075 52.130 52.037 0.030 0.000 0.764 125 A CB 0.129 19.231 19.000 0.169 0.000 1.002 125 A HN 0.415 nan 8.150 nan 0.000 0.502 126 M N 2.037 121.661 119.600 0.039 0.000 2.255 126 M HA 0.227 4.710 4.480 0.006 0.000 0.336 126 M C -0.050 176.275 176.300 0.042 0.000 1.135 126 M CA 0.070 55.409 55.300 0.066 0.000 1.145 126 M CB 0.299 32.954 32.600 0.092 0.000 1.473 126 M HN 0.655 nan 8.290 nan 0.000 0.462 127 N N 0.993 119.655 118.700 -0.063 0.000 2.399 127 N HA 0.320 5.064 4.740 0.006 0.000 0.280 127 N C -0.898 174.393 175.510 -0.366 0.000 1.008 127 N CA -0.220 52.664 53.050 -0.277 0.000 0.894 127 N CB 1.816 39.911 38.487 -0.653 0.000 1.273 127 N HN 0.622 nan 8.380 nan 0.000 0.486 128 S N 1.492 117.095 115.700 -0.161 0.000 2.632 128 S HA 0.342 4.816 4.470 0.006 0.000 0.271 128 S C -0.002 174.613 174.600 0.025 0.000 1.260 128 S CA -0.740 57.471 58.200 0.019 0.000 1.010 128 S CB 1.594 64.843 63.200 0.081 0.000 0.965 128 S HN 0.538 nan 8.310 nan 0.000 0.534 129 N N 0.911 119.629 118.700 0.031 0.000 2.664 129 N HA 0.239 4.982 4.740 0.006 0.000 0.257 129 N C -0.516 174.507 175.510 -0.812 0.000 1.108 129 N CA -0.390 52.300 53.050 -0.600 0.000 0.822 129 N CB 1.172 39.182 38.487 -0.796 0.000 1.199 129 N HN 0.850 nan 8.380 nan 0.000 0.529 130 T N -0.092 114.041 114.554 -0.702 0.000 3.331 130 T HA 0.220 4.573 4.350 0.006 0.000 0.282 130 T C 0.423 174.753 174.700 -0.616 0.000 1.010 130 T CA -0.491 61.096 62.100 -0.856 0.000 0.928 130 T CB -1.166 67.102 68.868 -1.000 0.000 1.154 130 T HN 0.253 nan 8.240 nan 0.000 0.516 131 F N 0.431 120.240 119.950 -0.235 0.000 2.683 131 F HA 0.656 5.186 4.527 0.006 0.000 0.306 131 F C 0.140 175.948 175.800 0.013 0.000 1.102 131 F CA -1.179 56.730 58.000 -0.152 0.000 1.244 131 F CB -0.264 38.614 39.000 -0.205 0.000 1.029 131 F HN 0.300 nan 8.300 nan 0.000 0.545 132 S N -1.280 114.398 115.700 -0.037 0.000 2.570 132 S HA 0.520 4.993 4.470 0.006 0.000 0.270 132 S C -1.689 172.946 174.600 0.058 0.000 1.149 132 S CA -0.917 57.326 58.200 0.071 0.000 0.837 132 S CB 2.197 65.444 63.200 0.078 0.000 1.124 132 S HN 0.007 nan 8.310 nan 0.000 0.465 133 D N 1.045 121.463 120.400 0.031 0.000 2.175 133 D HA 0.734 5.378 4.640 0.006 0.000 0.248 133 D C 0.016 176.295 176.300 -0.034 0.000 1.047 133 D CA -0.031 53.940 54.000 -0.049 0.000 0.883 133 D CB 1.769 42.520 40.800 -0.082 0.000 1.180 133 D HN 0.856 nan 8.370 nan 0.000 0.438 134 A N 2.381 125.163 122.820 -0.063 0.000 2.288 134 A HA 0.713 5.037 4.320 0.006 0.000 0.328 134 A C -2.438 175.124 177.584 -0.037 0.000 1.123 134 A CA -1.460 50.561 52.037 -0.027 0.000 0.861 134 A CB 0.377 19.363 19.000 -0.023 0.000 1.272 134 A HN 0.333 nan 8.150 nan 0.000 0.490 135 P HA 0.300 nan 4.420 nan 0.000 0.265 135 P C 0.862 178.142 177.300 -0.035 0.000 1.193 135 P CA 1.892 64.981 63.100 -0.018 0.000 0.765 135 P CB 0.552 32.253 31.700 0.001 0.000 0.823 136 G N 1.596 110.367 108.800 -0.047 0.000 2.166 136 G HA2 -0.321 3.642 3.960 0.006 0.000 0.260 136 G HA3 -0.321 3.642 3.960 0.006 0.000 0.260 136 G C 0.251 175.097 174.900 -0.090 0.000 0.986 136 G CA -0.064 45.000 45.100 -0.060 0.000 0.683 136 G HN 0.666 nan 8.290 nan 0.000 0.527 137 Q N -0.147 119.585 119.800 -0.113 0.000 2.289 137 Q HA 0.587 4.930 4.340 0.006 0.000 0.273 137 Q C 1.732 177.600 176.000 -0.220 0.000 1.029 137 Q CA 0.498 56.201 55.803 -0.166 0.000 0.896 137 Q CB 0.704 29.317 28.738 -0.209 0.000 1.182 137 Q HN 0.640 nan 8.270 nan 0.000 0.385 138 A N 5.107 127.762 122.820 -0.275 0.000 1.930 138 A HA -0.087 4.237 4.320 0.006 0.000 0.217 138 A C 0.176 177.352 177.584 -0.681 0.000 1.175 138 A CA 1.081 52.837 52.037 -0.468 0.000 0.627 138 A CB 0.007 18.684 19.000 -0.539 0.000 0.815 138 A HN 0.794 nan 8.150 nan 0.000 0.443 139 H N -0.736 118.199 119.070 -0.224 0.000 2.609 139 H HA 0.400 4.960 4.556 0.006 0.000 0.344 139 H C -0.675 174.394 175.328 -0.432 0.000 1.040 139 H CA -0.583 55.305 56.048 -0.267 0.000 1.216 139 H CB 1.456 31.068 29.762 -0.250 0.000 1.529 139 H HN 0.232 nan 8.280 nan 0.000 0.519 140 S N 1.832 117.414 115.700 -0.196 0.000 2.576 140 S HA 0.060 4.533 4.470 0.006 0.000 0.276 140 S C 0.147 174.636 174.600 -0.186 0.000 1.339 140 S CA -0.306 57.748 58.200 -0.242 0.000 1.039 140 S CB 0.270 63.413 63.200 -0.095 0.000 0.902 140 S HN 0.449 nan 8.310 nan 0.000 0.516 141 Y N 2.638 122.936 120.300 -0.004 0.000 2.532 141 Y HA 0.299 4.853 4.550 0.006 0.000 0.283 141 Y C 1.780 177.688 175.900 0.014 0.000 1.181 141 Y CA -0.517 57.600 58.100 0.030 0.000 1.256 141 Y CB -0.508 37.935 38.460 -0.028 0.000 1.112 141 Y HN 0.742 nan 8.280 nan 0.000 0.521 142 K N 0.084 120.507 120.400 0.038 0.000 2.059 142 K HA -0.230 4.094 4.320 0.006 0.000 0.212 142 K C 0.220 176.654 176.600 -0.277 0.000 1.050 142 K CA 1.956 58.120 56.287 -0.206 0.000 0.927 142 K CB -0.194 32.023 32.500 -0.471 0.000 0.714 142 K HN 0.309 nan 8.250 nan 0.000 0.447 143 Y N -0.103 120.300 120.300 0.173 0.000 2.625 143 Y HA 0.350 4.903 4.550 0.006 0.000 0.285 143 Y C 0.556 176.454 175.900 -0.002 0.000 1.168 143 Y CA 0.140 58.259 58.100 0.032 0.000 1.250 143 Y CB 0.963 39.356 38.460 -0.113 0.000 1.130 143 Y HN 0.319 nan 8.280 nan 0.000 0.526 144 G N -0.641 108.307 108.800 0.247 0.000 2.381 144 G HA2 0.184 4.147 3.960 0.006 0.000 0.672 144 G HA3 0.184 4.147 3.960 0.006 0.000 0.672 144 G C 0.010 175.093 174.900 0.304 0.000 1.324 144 G CA -0.259 44.959 45.100 0.195 0.000 0.975 144 G HN 0.301 nan 8.290 nan 0.000 0.593 145 S N -1.077 114.688 115.700 0.107 0.000 3.799 145 S HA 0.364 4.837 4.470 0.006 0.000 0.170 145 S C 2.051 176.669 174.600 0.029 0.000 0.840 145 S CA 0.583 58.751 58.200 -0.055 0.000 1.025 145 S CB -0.262 62.589 63.200 -0.581 0.000 1.455 145 S HN 0.904 nan 8.310 nan 0.000 0.804 146 L N 2.799 124.005 121.223 -0.028 0.000 2.265 146 L HA 0.066 4.409 4.340 0.006 0.000 0.215 146 L C 2.148 179.072 176.870 0.090 0.000 1.117 146 L CA 1.415 56.258 54.840 0.005 0.000 0.782 146 L CB -0.496 41.534 42.059 -0.048 0.000 0.914 146 L HN 0.702 nan 8.230 nan 0.000 0.441 147 S N -3.164 112.629 115.700 0.156 0.000 2.593 147 S HA 0.047 4.520 4.470 0.006 0.000 0.236 147 S C 0.687 175.378 174.600 0.152 0.000 0.991 147 S CA -0.602 57.700 58.200 0.171 0.000 0.963 147 S CB -0.308 63.010 63.200 0.198 0.000 0.865 147 S HN 0.302 nan 8.310 nan 0.000 0.488 148 H N 2.863 121.981 119.070 0.079 0.000 2.871 148 H HA 0.073 4.633 4.556 0.006 0.000 0.355 148 H C 1.633 176.995 175.328 0.057 0.000 1.092 148 H CA 1.640 57.742 56.048 0.091 0.000 1.420 148 H CB 1.492 31.324 29.762 0.117 0.000 1.400 148 H HN 0.437 nan 8.280 nan 0.000 0.604 149 T N 1.139 115.742 114.554 0.082 0.000 2.915 149 T HA -0.169 4.185 4.350 0.006 0.000 0.269 149 T C 0.963 175.792 174.700 0.216 0.000 1.071 149 T CA 0.677 62.844 62.100 0.111 0.000 1.132 149 T CB -0.109 68.752 68.868 -0.013 0.000 0.878 149 T HN 0.454 nan 8.240 nan 0.000 0.479 150 N N 1.161 120.147 118.700 0.477 0.000 2.442 150 N HA 0.497 5.240 4.740 0.006 0.000 0.265 150 N C 1.108 176.613 175.510 -0.009 0.000 1.138 150 N CA 0.398 53.522 53.050 0.124 0.000 0.956 150 N CB 1.072 39.523 38.487 -0.059 0.000 1.067 150 N HN 0.235 nan 8.380 nan 0.000 0.474 151 A N 4.179 126.976 122.820 -0.038 0.000 1.883 151 A HA -0.122 4.201 4.320 0.006 0.000 0.217 151 A C 2.085 179.598 177.584 -0.119 0.000 1.186 151 A CA 1.927 53.931 52.037 -0.056 0.000 0.624 151 A CB -1.295 17.679 19.000 -0.043 0.000 0.822 151 A HN 0.794 nan 8.150 nan 0.000 0.444 152 A N -1.169 121.525 122.820 -0.210 0.000 1.978 152 A HA -0.092 4.231 4.320 0.006 0.000 0.220 152 A C 2.255 179.599 177.584 -0.401 0.000 1.170 152 A CA 2.312 54.162 52.037 -0.311 0.000 0.636 152 A CB -1.136 17.587 19.000 -0.462 0.000 0.810 152 A HN 0.460 nan 8.150 nan 0.000 0.448 153 T N -0.487 113.795 114.554 -0.453 0.000 2.812 153 T HA -0.083 4.270 4.350 0.006 0.000 0.264 153 T C 2.046 176.726 174.700 -0.033 0.000 1.042 153 T CA 1.295 63.215 62.100 -0.300 0.000 1.140 153 T CB -0.188 68.363 68.868 -0.528 0.000 0.870 153 T HN 0.537 nan 8.240 nan 0.000 0.445 154 R N 1.175 121.656 120.500 -0.032 0.000 2.075 154 R HA 0.075 4.419 4.340 0.006 0.000 0.232 154 R C 2.818 179.120 176.300 0.003 0.000 1.126 154 R CA 1.239 57.348 56.100 0.015 0.000 0.963 154 R CB -0.481 29.826 30.300 0.012 0.000 0.858 154 R HN 0.343 nan 8.270 nan 0.000 0.435 155 A N 1.252 124.061 122.820 -0.019 0.000 1.933 155 A HA -0.238 4.086 4.320 0.006 0.000 0.218 155 A C 2.135 179.735 177.584 0.027 0.000 1.175 155 A CA 1.373 53.404 52.037 -0.009 0.000 0.628 155 A CB -0.483 18.504 19.000 -0.022 0.000 0.814 155 A HN 0.391 nan 8.150 nan 0.000 0.444 156 Q N -0.520 119.314 119.800 0.058 0.000 2.119 156 Q HA -0.098 4.246 4.340 0.006 0.000 0.201 156 Q C 2.115 178.213 176.000 0.163 0.000 0.972 156 Q CA 1.486 57.360 55.803 0.118 0.000 0.847 156 Q CB -0.316 28.518 28.738 0.161 0.000 0.903 156 Q HN 0.587 nan 8.270 nan 0.000 0.433 157 A N -0.029 122.888 122.820 0.163 0.000 1.929 157 A HA -0.082 4.241 4.320 0.006 0.000 0.216 157 A C 2.187 179.803 177.584 0.053 0.000 1.176 157 A CA 1.249 53.338 52.037 0.086 0.000 0.628 157 A CB -0.576 18.385 19.000 -0.065 0.000 0.816 157 A HN 0.291 nan 8.150 nan 0.000 0.444 158 V N 0.118 120.044 119.914 0.020 0.000 2.295 158 V HA -0.238 3.885 4.120 0.006 0.000 0.246 158 V C 2.628 178.720 176.094 -0.003 0.000 1.049 158 V CA 2.423 64.716 62.300 -0.013 0.000 1.024 158 V CB -0.668 31.136 31.823 -0.032 0.000 0.648 158 V HN 0.687 nan 8.190 nan 0.000 0.447 159 E N -0.174 120.038 120.200 0.021 0.000 2.110 159 E HA -0.254 4.100 4.350 0.006 0.000 0.193 159 E C 2.210 178.820 176.600 0.018 0.000 0.988 159 E CA 1.639 58.046 56.400 0.010 0.000 0.804 159 E CB -0.493 29.222 29.700 0.025 0.000 0.745 159 E HN 0.750 nan 8.360 nan 0.000 0.458 160 H N 0.201 119.259 119.070 -0.020 0.000 2.321 160 H HA -0.083 4.476 4.556 0.006 0.000 0.300 160 H C 1.661 176.956 175.328 -0.056 0.000 1.087 160 H CA 1.712 57.743 56.048 -0.029 0.000 1.319 160 H CB -0.010 29.745 29.762 -0.011 0.000 1.379 160 H HN 0.192 nan 8.280 nan 0.000 0.501 161 N N 0.762 119.404 118.700 -0.096 0.000 2.166 161 N HA -0.125 4.619 4.740 0.006 0.000 0.186 161 N C 2.341 177.744 175.510 -0.179 0.000 1.019 161 N CA 0.978 53.936 53.050 -0.153 0.000 0.856 161 N CB -0.100 38.355 38.487 -0.054 0.000 0.993 161 N HN 0.399 nan 8.380 nan 0.000 0.426 162 L N 1.149 122.286 121.223 -0.144 0.000 2.141 162 L HA -0.118 4.226 4.340 0.006 0.000 0.209 162 L C 2.454 179.216 176.870 -0.181 0.000 1.094 162 L CA 0.956 55.701 54.840 -0.158 0.000 0.763 162 L CB -0.338 41.648 42.059 -0.121 0.000 0.908 162 L HN 0.245 nan 8.230 nan 0.000 0.437 163 E N -0.228 119.861 120.200 -0.184 0.000 2.152 163 E HA -0.205 4.149 4.350 0.006 0.000 0.192 163 E C 2.292 178.772 176.600 -0.199 0.000 0.983 163 E CA 1.222 57.517 56.400 -0.176 0.000 0.818 163 E CB 0.061 29.667 29.700 -0.158 0.000 0.758 163 E HN 0.527 nan 8.360 nan 0.000 0.467 164 C N 0.464 119.607 119.300 -0.260 0.000 2.440 164 C HA -0.046 4.417 4.460 0.006 0.000 0.278 164 C C 2.512 177.447 174.990 -0.091 0.000 1.295 164 C CA 0.305 59.206 59.018 -0.194 0.000 1.738 164 C CB -0.794 26.811 27.740 -0.226 0.000 1.987 164 C HN 0.498 nan 8.230 nan 0.000 0.492 165 I N 0.609 121.080 120.570 -0.165 0.000 2.315 165 I HA -0.144 4.029 4.170 0.006 0.000 0.248 165 I C 2.578 178.498 176.117 -0.329 0.000 1.117 165 I CA 1.227 62.326 61.300 -0.335 0.000 1.404 165 I CB -0.528 37.169 38.000 -0.506 0.000 1.071 165 I HN 0.313 nan 8.210 nan 0.000 0.419 166 E N 0.949 121.010 120.200 -0.232 0.000 2.077 166 E HA -0.175 4.179 4.350 0.006 0.000 0.193 166 E C 2.271 178.810 176.600 -0.101 0.000 0.989 166 E CA 1.349 57.645 56.400 -0.174 0.000 0.800 166 E CB -0.215 29.401 29.700 -0.139 0.000 0.746 166 E HN 0.531 nan 8.360 nan 0.000 0.452 167 I N 0.428 120.950 120.570 -0.080 0.000 2.252 167 I HA -0.154 4.020 4.170 0.006 0.000 0.245 167 I C 2.455 178.562 176.117 -0.017 0.000 1.102 167 I CA 1.205 62.470 61.300 -0.058 0.000 1.385 167 I CB -0.480 37.475 38.000 -0.075 0.000 1.064 167 I HN 0.096 nan 8.210 nan 0.000 0.414 168 G N 0.902 109.749 108.800 0.078 0.000 2.408 168 G HA2 -0.193 3.771 3.960 0.006 0.000 0.217 168 G HA3 -0.193 3.771 3.960 0.006 0.000 0.217 168 G C 1.717 176.817 174.900 0.334 0.000 1.150 168 G CA 0.381 45.632 45.100 0.252 0.000 0.776 168 G HN 0.304 nan 8.290 nan 0.000 0.542 169 K N 0.586 121.121 120.400 0.226 0.000 2.147 169 K HA 0.036 4.359 4.320 0.006 0.000 0.205 169 K C 2.793 179.455 176.600 0.102 0.000 1.049 169 K CA 0.978 57.365 56.287 0.167 0.000 0.936 169 K CB -0.133 32.317 32.500 -0.083 0.000 0.722 169 K HN 0.290 nan 8.250 nan 0.000 0.446 170 A N 1.608 124.455 122.820 0.045 0.000 2.016 170 A HA -0.035 4.289 4.320 0.006 0.000 0.217 170 A C 1.978 179.585 177.584 0.038 0.000 1.162 170 A CA 0.774 52.826 52.037 0.026 0.000 0.662 170 A CB -0.445 18.552 19.000 -0.005 0.000 0.812 170 A HN 0.430 nan 8.150 nan 0.000 0.450 171 I N -5.743 114.845 120.570 0.029 0.000 3.968 171 I HA 0.496 4.669 4.170 0.006 0.000 0.328 171 I C 1.163 177.391 176.117 0.186 0.000 1.290 171 I CA 0.652 61.975 61.300 0.038 0.000 1.163 171 I CB 0.356 38.188 38.000 -0.279 0.000 1.024 171 I HN 0.299 nan 8.210 nan 0.000 0.413 172 G N 1.535 110.430 108.800 0.158 0.000 2.154 172 G HA2 -0.243 3.720 3.960 0.006 0.000 0.186 172 G HA3 -0.243 3.720 3.960 0.006 0.000 0.186 172 G C 0.267 175.231 174.900 0.107 0.000 1.000 172 G CA 0.188 45.379 45.100 0.152 0.000 0.664 172 G HN 0.520 nan 8.290 nan 0.000 0.513 173 S N -0.360 115.401 115.700 0.100 0.000 2.603 173 S HA 0.634 5.108 4.470 0.006 0.000 0.268 173 S C 0.941 175.261 174.600 -0.467 0.000 1.317 173 S CA 0.149 58.293 58.200 -0.093 0.000 1.012 173 S CB 0.831 63.999 63.200 -0.054 0.000 0.926 173 S HN 0.169 nan 8.310 nan 0.000 0.539 174 K N 1.354 121.233 120.400 -0.870 0.000 2.564 174 K HA 0.486 4.809 4.320 0.006 0.000 0.201 174 K C -0.503 175.100 176.600 -1.663 0.000 1.086 174 K CA 0.003 55.435 56.287 -1.426 0.000 1.062 174 K CB 0.701 32.833 32.500 -0.613 0.000 0.849 174 K HN 0.613 nan 8.250 nan 0.000 0.529 175 A N 0.611 122.468 122.820 -1.606 0.000 2.597 175 A HA 0.651 4.975 4.320 0.006 0.000 0.292 175 A C -2.147 175.193 177.584 -0.407 0.000 1.057 175 A CA -0.738 50.782 52.037 -0.861 0.000 0.674 175 A CB 1.192 19.826 19.000 -0.610 0.000 1.278 175 A HN 0.080 nan 8.150 nan 0.000 0.416 176 L N 0.610 121.767 121.223 -0.110 0.000 2.381 176 L HA 0.798 5.142 4.340 0.006 0.000 0.274 176 L C -0.524 176.373 176.870 0.045 0.000 0.988 176 L CA 0.262 55.144 54.840 0.069 0.000 0.824 176 L CB 2.118 44.272 42.059 0.159 0.000 1.263 176 L HN 0.662 nan 8.230 nan 0.000 0.410 177 T N 4.523 119.154 114.554 0.129 0.000 2.771 177 T HA 0.603 4.957 4.350 0.006 0.000 0.281 177 T C -0.716 174.077 174.700 0.154 0.000 0.982 177 T CA -0.320 61.903 62.100 0.206 0.000 0.978 177 T CB 1.256 70.271 68.868 0.246 0.000 0.930 177 T HN 0.367 nan 8.240 nan 0.000 0.447 178 V N 4.392 124.412 119.914 0.177 0.000 2.350 178 V HA 0.470 4.594 4.120 0.006 0.000 0.285 178 V C -0.923 175.321 176.094 0.249 0.000 1.014 178 V CA -0.998 61.405 62.300 0.172 0.000 0.831 178 V CB 0.927 32.825 31.823 0.126 0.000 1.000 178 V HN 0.915 nan 8.190 nan 0.000 0.433 179 W N 8.299 129.664 121.300 0.108 0.000 2.600 179 W HA 0.815 5.478 4.660 0.005 0.000 0.325 179 W C -0.784 175.821 176.519 0.143 0.000 1.034 179 W CA -0.854 56.549 57.345 0.098 0.000 1.226 179 W CB 1.329 30.832 29.460 0.072 0.000 1.379 179 W HN 0.613 nan 8.180 nan 0.000 0.466 180 I N 2.680 122.711 120.570 -0.899 0.000 3.002 180 I HA 0.832 5.005 4.170 0.006 0.000 0.310 180 I C 0.745 176.094 176.117 -1.280 0.000 1.087 180 I CA -1.192 59.605 61.300 -0.838 0.000 1.017 180 I CB 2.139 39.940 38.000 -0.331 0.000 1.226 180 I HN 0.642 nan 8.210 nan 0.000 0.443 181 G N 0.944 109.253 108.800 -0.818 0.000 3.088 181 G HA2 0.070 4.034 3.960 0.006 0.000 0.217 181 G HA3 0.070 4.034 3.960 0.006 0.000 0.217 181 G C -0.032 174.677 174.900 -0.318 0.000 1.159 181 G CA -0.125 44.620 45.100 -0.591 0.000 0.760 181 G HN 0.717 nan 8.290 nan 0.000 0.550 182 D N 0.964 121.209 120.400 -0.258 0.000 2.752 182 D HA 0.396 5.039 4.640 0.006 0.000 0.225 182 D C 0.943 177.174 176.300 -0.115 0.000 1.104 182 D CA 1.905 55.829 54.000 -0.127 0.000 0.832 182 D CB 0.756 41.512 40.800 -0.074 0.000 1.161 182 D HN 0.402 nan 8.370 nan 0.000 0.505 183 G N 0.119 108.892 108.800 -0.046 0.000 2.360 183 G HA2 0.491 4.455 3.960 0.006 0.000 0.276 183 G HA3 0.491 4.455 3.960 0.006 0.000 0.276 183 G C -1.334 173.599 174.900 0.055 0.000 1.256 183 G CA -0.154 44.936 45.100 -0.016 0.000 0.890 183 G HN 0.780 nan 8.290 nan 0.000 0.486 184 S N -1.272 114.488 115.700 0.100 0.000 2.595 184 S HA 0.675 5.149 4.470 0.006 0.000 0.281 184 S C -0.291 174.408 174.600 0.164 0.000 1.117 184 S CA -0.711 57.597 58.200 0.180 0.000 0.873 184 S CB 2.252 65.626 63.200 0.289 0.000 1.108 184 S HN 0.432 nan 8.310 nan 0.000 0.477 185 N N -0.546 118.211 118.700 0.095 0.000 2.220 185 N HA 0.420 5.164 4.740 0.006 0.000 0.195 185 N C -1.461 173.735 175.510 -0.524 0.000 1.123 185 N CA 0.212 53.156 53.050 -0.178 0.000 0.874 185 N CB 0.056 38.329 38.487 -0.357 0.000 0.995 185 N HN 0.585 nan 8.380 nan 0.000 0.498 186 F N -0.051 119.977 119.950 0.130 0.000 2.591 186 F HA 0.437 4.967 4.527 0.005 0.000 0.309 186 F C -2.308 173.307 175.800 -0.309 0.000 1.098 186 F CA -2.468 55.467 58.000 -0.108 0.000 0.937 186 F CB 1.836 40.803 39.000 -0.055 0.000 1.250 186 F HN -0.300 nan 8.300 nan 0.000 0.447 187 P HA 0.221 nan 4.420 nan 0.000 0.264 187 P C 0.695 177.903 177.300 -0.154 0.000 1.193 187 P CA 1.264 64.045 63.100 -0.533 0.000 0.763 187 P CB 0.652 32.062 31.700 -0.484 0.000 0.810 188 G N 2.642 111.372 108.800 -0.117 0.000 2.268 188 G HA2 -0.346 3.618 3.960 0.006 0.000 0.240 188 G HA3 -0.346 3.618 3.960 0.006 0.000 0.240 188 G C 1.255 176.116 174.900 -0.066 0.000 1.010 188 G CA 0.447 45.483 45.100 -0.107 0.000 0.618 188 G HN 0.556 nan 8.290 nan 0.000 0.516 189 Q N 0.603 120.410 119.800 0.012 0.000 2.096 189 Q HA 0.085 4.429 4.340 0.006 0.000 0.204 189 Q C 0.928 176.932 176.000 0.006 0.000 0.982 189 Q CA 1.815 57.646 55.803 0.046 0.000 0.850 189 Q CB -0.082 28.765 28.738 0.182 0.000 0.901 189 Q HN 0.552 nan 8.270 nan 0.000 0.422 190 S N 0.583 116.289 115.700 0.009 0.000 2.566 190 S HA 0.304 4.778 4.470 0.006 0.000 0.298 190 S C -0.880 173.636 174.600 -0.140 0.000 1.083 190 S CA -0.905 57.288 58.200 -0.011 0.000 0.978 190 S CB 1.559 64.818 63.200 0.098 0.000 1.073 190 S HN 0.328 nan 8.310 nan 0.000 0.491 191 N N 1.815 120.459 118.700 -0.092 0.000 2.485 191 N HA 0.161 4.904 4.740 0.006 0.000 0.243 191 N C 0.317 175.830 175.510 0.004 0.000 0.987 191 N CA -0.336 52.633 53.050 -0.135 0.000 0.940 191 N CB 0.128 38.580 38.487 -0.058 0.000 1.122 191 N HN 0.374 nan 8.380 nan 0.000 0.509 192 F N 2.132 122.106 119.950 0.041 0.000 2.063 192 F HA -0.227 4.302 4.527 0.004 0.000 0.298 192 F C 2.456 178.290 175.800 0.058 0.000 1.105 192 F CA 1.333 59.346 58.000 0.022 0.000 1.215 192 F CB -1.279 37.715 39.000 -0.010 0.000 0.972 192 F HN 0.416 nan 8.300 nan 0.000 0.483 193 T N 0.313 115.025 114.554 0.263 0.000 2.701 193 T HA -0.132 4.221 4.350 0.006 0.000 0.263 193 T C 2.162 176.970 174.700 0.179 0.000 1.040 193 T CA 1.196 63.425 62.100 0.215 0.000 1.147 193 T CB -0.139 68.817 68.868 0.146 0.000 0.865 193 T HN 0.030 nan 8.240 nan 0.000 0.426 194 R N 1.426 121.995 120.500 0.114 0.000 2.105 194 R HA 0.073 4.417 4.340 0.006 0.000 0.239 194 R C 2.670 179.034 176.300 0.106 0.000 1.135 194 R CA 1.391 57.539 56.100 0.080 0.000 0.967 194 R CB -1.234 29.091 30.300 0.041 0.000 0.861 194 R HN 0.459 nan 8.270 nan 0.000 0.442 195 A N 0.543 123.446 122.820 0.139 0.000 1.902 195 A HA -0.167 4.156 4.320 0.006 0.000 0.217 195 A C 2.007 179.732 177.584 0.235 0.000 1.181 195 A CA 1.141 53.271 52.037 0.156 0.000 0.623 195 A CB -0.621 18.471 19.000 0.153 0.000 0.818 195 A HN 0.277 nan 8.150 nan 0.000 0.443 196 F N 1.121 121.110 119.950 0.064 0.000 2.186 196 F HA -0.049 4.481 4.527 0.006 0.000 0.299 196 F C 2.091 177.954 175.800 0.106 0.000 1.090 196 F CA 1.588 59.623 58.000 0.059 0.000 1.307 196 F CB -0.456 38.550 39.000 0.010 0.000 1.019 196 F HN 0.396 nan 8.300 nan 0.000 0.489 197 E N -0.117 120.100 120.200 0.027 0.000 2.077 197 E HA -0.204 4.149 4.350 0.006 0.000 0.193 197 E C 2.314 178.880 176.600 -0.057 0.000 0.989 197 E CA 1.160 57.501 56.400 -0.099 0.000 0.800 197 E CB -0.205 29.475 29.700 -0.033 0.000 0.746 197 E HN 0.419 nan 8.360 nan 0.000 0.452 198 R N -0.012 120.505 120.500 0.028 0.000 2.096 198 R HA -0.168 4.175 4.340 0.006 0.000 0.235 198 R C 2.346 178.672 176.300 0.042 0.000 1.127 198 R CA 1.411 57.531 56.100 0.033 0.000 0.968 198 R CB -0.453 29.888 30.300 0.068 0.000 0.861 198 R HN 0.288 nan 8.270 nan 0.000 0.440 199 Y N 1.731 122.016 120.300 -0.026 0.000 2.145 199 Y HA -0.184 4.370 4.550 0.007 0.000 0.286 199 Y C 2.012 177.859 175.900 -0.088 0.000 1.145 199 Y CA 1.465 59.555 58.100 -0.017 0.000 1.148 199 Y CB -0.314 38.197 38.460 0.085 0.000 0.981 199 Y HN -0.080 nan 8.280 nan 0.000 0.507 200 L N -0.747 120.423 121.223 -0.087 0.000 2.079 200 L HA -0.251 4.093 4.340 0.006 0.000 0.210 200 L C 2.831 179.562 176.870 -0.231 0.000 1.081 200 L CA 1.702 56.399 54.840 -0.239 0.000 0.752 200 L CB -0.832 41.008 42.059 -0.365 0.000 0.896 200 L HN 0.258 nan 8.230 nan 0.000 0.433 201 S N -0.590 115.005 115.700 -0.174 0.000 2.383 201 S HA -0.127 4.347 4.470 0.006 0.000 0.227 201 S C 2.094 176.610 174.600 -0.141 0.000 1.026 201 S CA 1.135 59.253 58.200 -0.137 0.000 0.981 201 S CB -0.030 63.114 63.200 -0.095 0.000 0.818 201 S HN 0.442 nan 8.310 nan 0.000 0.472 202 A N 1.691 124.412 122.820 -0.165 0.000 1.898 202 A HA 0.041 4.364 4.320 0.006 0.000 0.216 202 A C 2.214 179.674 177.584 -0.206 0.000 1.181 202 A CA 1.392 53.331 52.037 -0.164 0.000 0.620 202 A CB -0.542 18.362 19.000 -0.160 0.000 0.819 202 A HN 0.524 nan 8.150 nan 0.000 0.442 203 M N -0.306 119.095 119.600 -0.331 0.000 2.279 203 M HA -0.093 4.391 4.480 0.006 0.000 0.264 203 M C 2.425 178.653 176.300 -0.121 0.000 1.062 203 M CA 1.347 56.477 55.300 -0.283 0.000 1.099 203 M CB -1.350 30.994 32.600 -0.426 0.000 1.394 203 M HN 0.511 nan 8.290 nan 0.000 0.426 204 A N 0.202 122.941 122.820 -0.135 0.000 1.902 204 A HA -0.168 4.156 4.320 0.006 0.000 0.217 204 A C 2.068 179.639 177.584 -0.021 0.000 1.181 204 A CA 1.570 53.553 52.037 -0.091 0.000 0.623 204 A CB -0.592 18.330 19.000 -0.130 0.000 0.818 204 A HN 0.554 nan 8.150 nan 0.000 0.443 205 E N -0.420 119.749 120.200 -0.051 0.000 2.106 205 E HA -0.111 4.242 4.350 0.006 0.000 0.192 205 E C 1.842 178.424 176.600 -0.030 0.000 0.984 205 E CA 1.067 57.444 56.400 -0.039 0.000 0.806 205 E CB -0.240 29.427 29.700 -0.055 0.000 0.750 205 E HN 0.708 nan 8.360 nan 0.000 0.458 206 I N 0.195 120.742 120.570 -0.038 0.000 2.353 206 I HA -0.250 3.923 4.170 0.006 0.000 0.248 206 I C 2.320 178.421 176.117 -0.026 0.000 1.119 206 I CA 0.826 62.096 61.300 -0.050 0.000 1.417 206 I CB -0.211 37.752 38.000 -0.063 0.000 1.078 206 I HN 0.119 nan 8.210 nan 0.000 0.421 207 Y N 2.252 122.492 120.300 -0.101 0.000 2.207 207 Y HA -0.258 4.296 4.550 0.006 0.000 0.287 207 Y C 2.358 178.207 175.900 -0.085 0.000 1.156 207 Y CA 1.661 59.711 58.100 -0.085 0.000 1.182 207 Y CB -0.167 38.245 38.460 -0.080 0.000 0.979 207 Y HN -0.002 nan 8.280 nan 0.000 0.521 208 K N -0.905 119.571 120.400 0.127 0.000 2.280 208 K HA -0.081 4.242 4.320 0.006 0.000 0.202 208 K C 1.923 178.481 176.600 -0.068 0.000 1.047 208 K CA 0.945 57.260 56.287 0.047 0.000 0.942 208 K CB -0.384 32.129 32.500 0.022 0.000 0.739 208 K HN 0.435 nan 8.250 nan 0.000 0.457 209 G N 0.589 109.319 108.800 -0.117 0.000 3.042 209 G HA2 0.084 4.048 3.960 0.006 0.000 0.212 209 G HA3 0.084 4.048 3.960 0.006 0.000 0.212 209 G C 0.265 174.997 174.900 -0.280 0.000 1.166 209 G CA -0.319 44.673 45.100 -0.181 0.000 0.767 209 G HN 0.027 nan 8.290 nan 0.000 0.546 210 L N 1.495 122.539 121.223 -0.298 0.000 2.367 210 L HA 0.267 4.611 4.340 0.006 0.000 0.275 210 L C -1.956 174.724 176.870 -0.317 0.000 1.129 210 L CA -1.705 52.923 54.840 -0.354 0.000 0.839 210 L CB 1.253 43.089 42.059 -0.372 0.000 1.133 210 L HN -0.071 nan 8.230 nan 0.000 0.453 211 P HA 0.027 nan 4.420 nan 0.000 0.272 211 P C 0.112 177.368 177.300 -0.074 0.000 1.240 211 P CA -0.391 62.554 63.100 -0.258 0.000 0.791 211 P CB 0.579 32.051 31.700 -0.379 0.000 0.978 212 D N 0.651 121.031 120.400 -0.033 0.000 2.149 212 D HA -0.168 4.475 4.640 0.006 0.000 0.198 212 D C 0.757 177.082 176.300 0.042 0.000 0.990 212 D CA 1.527 55.527 54.000 -0.001 0.000 0.839 212 D CB -0.325 40.477 40.800 0.004 0.000 0.948 212 D HN 0.558 nan 8.370 nan 0.000 0.460 213 D N -1.376 119.089 120.400 0.108 0.000 2.388 213 D HA -0.023 4.621 4.640 0.006 0.000 0.221 213 D C 0.047 176.430 176.300 0.138 0.000 1.133 213 D CA -0.445 53.619 54.000 0.107 0.000 0.831 213 D CB -0.579 40.275 40.800 0.090 0.000 0.962 213 D HN 0.086 nan 8.370 nan 0.000 0.502 214 W N 1.139 122.358 121.300 -0.135 0.000 2.497 214 W HA 0.522 5.185 4.660 0.006 0.000 0.359 214 W C 0.472 176.842 176.519 -0.248 0.000 1.131 214 W CA -0.661 56.575 57.345 -0.182 0.000 1.280 214 W CB 1.222 30.564 29.460 -0.196 0.000 1.319 214 W HN -0.395 nan 8.180 nan 0.000 0.626 215 K N 1.374 121.660 120.400 -0.189 0.000 2.426 215 K HA 0.583 4.907 4.320 0.006 0.000 0.251 215 K C -1.818 174.465 176.600 -0.527 0.000 0.941 215 K CA -1.271 54.771 56.287 -0.408 0.000 0.808 215 K CB 2.370 34.482 32.500 -0.647 0.000 1.265 215 K HN 0.212 nan 8.250 nan 0.000 0.432 216 L N 3.141 124.109 121.223 -0.425 0.000 2.319 216 L HA 0.490 4.834 4.340 0.006 0.000 0.281 216 L C -1.708 175.056 176.870 -0.176 0.000 1.005 216 L CA -0.256 54.430 54.840 -0.257 0.000 0.828 216 L CB 0.491 42.509 42.059 -0.069 0.000 1.227 216 L HN 0.381 nan 8.230 nan 0.000 0.415 217 F N 3.039 123.008 119.950 0.032 0.000 2.388 217 F HA 0.530 5.060 4.527 0.006 0.000 0.358 217 F C 0.583 176.411 175.800 0.046 0.000 1.122 217 F CA -0.861 57.146 58.000 0.012 0.000 1.056 217 F CB 1.436 40.408 39.000 -0.047 0.000 1.155 217 F HN 0.516 nan 8.300 nan 0.000 0.461 218 S N 1.692 117.557 115.700 0.275 0.000 2.508 218 S HA 0.484 4.958 4.470 0.006 0.000 0.284 218 S C -0.533 174.176 174.600 0.181 0.000 1.192 218 S CA -0.900 57.446 58.200 0.244 0.000 1.070 218 S CB 1.864 65.235 63.200 0.286 0.000 1.004 218 S HN 0.687 nan 8.310 nan 0.000 0.493 219 E N 2.874 123.180 120.200 0.177 0.000 2.129 219 E HA 0.179 4.532 4.350 0.006 0.000 0.268 219 E C -0.205 176.509 176.600 0.190 0.000 0.900 219 E CA -0.769 55.682 56.400 0.085 0.000 0.755 219 E CB 0.539 30.279 29.700 0.066 0.000 1.117 219 E HN 0.918 nan 8.360 nan 0.000 0.410 220 H N 3.283 122.448 119.070 0.159 0.000 2.551 220 H HA 0.477 5.037 4.556 0.007 0.000 0.358 220 H C -0.837 174.600 175.328 0.181 0.000 1.151 220 H CA -0.641 55.479 56.048 0.120 0.000 1.374 220 H CB 1.358 31.157 29.762 0.062 0.000 1.473 220 H HN 0.374 nan 8.280 nan 0.000 0.574 221 K N 2.977 123.487 120.400 0.184 0.000 2.571 221 K HA 0.101 4.425 4.320 0.006 0.000 0.252 221 K C 0.641 177.215 176.600 -0.043 0.000 0.956 221 K CA -0.629 55.631 56.287 -0.046 0.000 0.822 221 K CB 2.625 34.986 32.500 -0.232 0.000 1.286 221 K HN 0.707 nan 8.250 nan 0.000 0.439 222 M N 3.118 122.696 119.600 -0.036 0.000 2.080 222 M HA -0.120 4.364 4.480 0.006 0.000 0.260 222 M C -0.354 176.028 176.300 0.137 0.000 1.068 222 M CA 1.772 57.115 55.300 0.073 0.000 1.109 222 M CB 0.109 32.835 32.600 0.211 0.000 1.342 222 M HN 0.627 nan 8.290 nan 0.000 0.405 223 Y N -2.474 117.787 120.300 -0.064 0.000 2.725 223 Y HA 0.524 5.078 4.550 0.007 0.000 0.333 223 Y C -1.061 174.795 175.900 -0.073 0.000 1.242 223 Y CA -1.784 56.280 58.100 -0.060 0.000 1.059 223 Y CB 0.319 38.809 38.460 0.050 0.000 1.306 223 Y HN 0.324 nan 8.280 nan 0.000 0.454 224 E N 1.553 121.662 120.200 -0.151 0.000 7.504 224 E HA -0.113 4.241 4.350 0.006 0.000 0.337 224 E C -2.396 174.101 176.600 -0.170 0.000 0.701 224 E CA 0.453 56.686 56.400 -0.277 0.000 1.302 224 E CB 0.159 29.800 29.700 -0.097 0.000 0.927 224 E HN 0.670 nan 8.360 nan 0.000 0.263 225 P HA 0.021 nan 4.420 nan 0.000 0.242 225 P C 0.098 176.887 177.300 -0.852 0.000 1.197 225 P CA 0.971 63.799 63.100 -0.453 0.000 0.765 225 P CB 0.255 31.852 31.700 -0.173 0.000 0.936 226 A N -0.167 122.289 122.820 -0.606 0.000 2.301 226 A HA 0.467 4.791 4.320 0.006 0.000 0.298 226 A C -0.105 177.175 177.584 -0.507 0.000 1.185 226 A CA -0.436 51.317 52.037 -0.473 0.000 0.830 226 A CB -0.100 18.778 19.000 -0.203 0.000 1.112 226 A HN -0.051 nan 8.150 nan 0.000 0.508 227 F N 1.086 121.063 119.950 0.045 0.000 2.639 227 F HA 0.202 4.732 4.527 0.005 0.000 0.302 227 F C 0.895 176.723 175.800 0.045 0.000 1.097 227 F CA 0.085 58.110 58.000 0.042 0.000 1.294 227 F CB -0.098 38.901 39.000 -0.001 0.000 1.027 227 F HN 0.804 nan 8.300 nan 0.000 0.550 228 Y N -0.121 120.210 120.300 0.053 0.000 2.846 228 Y HA 0.358 4.910 4.550 0.004 0.000 0.258 228 Y C 0.533 176.464 175.900 0.053 0.000 1.077 228 Y CA 0.311 58.437 58.100 0.043 0.000 1.270 228 Y CB 0.271 38.750 38.460 0.032 0.000 1.476 228 Y HN -0.137 nan 8.280 nan 0.000 0.460 229 S N -0.242 115.315 115.700 -0.238 0.000 2.564 229 S HA 0.753 5.227 4.470 0.006 0.000 0.274 229 S C -1.089 173.422 174.600 -0.148 0.000 1.124 229 S CA -0.409 57.598 58.200 -0.322 0.000 0.869 229 S CB 2.143 65.174 63.200 -0.282 0.000 1.105 229 S HN 0.096 nan 8.310 nan 0.000 0.472 230 T N 2.121 116.556 114.554 -0.199 0.000 2.886 230 T HA 0.419 4.772 4.350 0.006 0.000 0.292 230 T C 1.228 175.794 174.700 -0.224 0.000 1.012 230 T CA -0.625 61.373 62.100 -0.171 0.000 0.982 230 T CB 1.624 70.402 68.868 -0.150 0.000 1.018 230 T HN 0.535 nan 8.240 nan 0.000 0.451 231 V N 2.685 122.475 119.914 -0.205 0.000 2.255 231 V HA -0.085 4.039 4.120 0.006 0.000 0.247 231 V C 1.293 177.142 176.094 -0.407 0.000 1.051 231 V CA 1.460 63.601 62.300 -0.265 0.000 1.018 231 V CB -0.286 31.411 31.823 -0.210 0.000 0.641 231 V HN 0.723 nan 8.190 nan 0.000 0.445 232 V N 3.107 122.801 119.914 -0.367 0.000 2.184 232 V HA 0.132 4.255 4.120 0.006 0.000 0.262 232 V C 1.320 177.322 176.094 -0.153 0.000 1.209 232 V CA -0.014 62.106 62.300 -0.301 0.000 1.070 232 V CB 0.534 32.211 31.823 -0.244 0.000 1.244 232 V HN 0.625 nan 8.190 nan 0.000 0.477 233 Q N 2.101 121.777 119.800 -0.207 0.000 2.212 233 Q HA -0.022 4.321 4.340 0.006 0.000 0.199 233 Q C 0.183 176.152 176.000 -0.052 0.000 0.950 233 Q CA 1.592 57.316 55.803 -0.132 0.000 0.863 233 Q CB 0.447 29.060 28.738 -0.209 0.000 0.944 233 Q HN 0.774 nan 8.270 nan 0.000 0.465 234 D N -2.026 118.295 120.400 -0.132 0.000 2.752 234 D HA 0.039 4.683 4.640 0.006 0.000 0.313 234 D C 0.878 176.879 176.300 -0.498 0.000 1.225 234 D CA -0.484 53.388 54.000 -0.213 0.000 0.976 234 D CB -0.909 39.815 40.800 -0.127 0.000 1.443 234 D HN 0.144 nan 8.370 nan 0.000 0.515 235 W N 0.594 121.410 121.300 -0.806 0.000 2.465 235 W HA 0.102 4.765 4.660 0.005 0.000 0.268 235 W C 1.015 177.416 176.519 -0.196 0.000 1.242 235 W CA 1.130 58.123 57.345 -0.586 0.000 1.248 235 W CB -1.255 28.002 29.460 -0.339 0.000 1.118 235 W HN 0.444 nan 8.180 nan 0.000 0.587 236 G N 1.467 109.629 108.800 -1.064 0.000 2.404 236 G HA2 -0.241 3.723 3.960 0.006 0.000 0.215 236 G HA3 -0.241 3.723 3.960 0.006 0.000 0.215 236 G C 1.506 176.136 174.900 -0.451 0.000 1.174 236 G CA 1.954 46.460 45.100 -0.990 0.000 0.780 236 G HN 0.290 nan 8.290 nan 0.000 0.537 237 T N 0.926 115.249 114.554 -0.385 0.000 2.821 237 T HA -0.114 4.240 4.350 0.006 0.000 0.267 237 T C 2.341 176.973 174.700 -0.114 0.000 1.046 237 T CA 1.174 63.079 62.100 -0.325 0.000 1.139 237 T CB -0.253 68.309 68.868 -0.510 0.000 0.871 237 T HN 0.219 nan 8.240 nan 0.000 0.454 238 N N 0.516 119.174 118.700 -0.071 0.000 2.120 238 N HA -0.114 4.630 4.740 0.006 0.000 0.188 238 N C 1.577 177.161 175.510 0.122 0.000 1.024 238 N CA 1.150 54.261 53.050 0.101 0.000 0.852 238 N CB -0.431 38.197 38.487 0.235 0.000 1.003 238 N HN 0.483 nan 8.380 nan 0.000 0.424 239 Y N 1.238 121.524 120.300 -0.024 0.000 2.145 239 Y HA -0.064 4.489 4.550 0.006 0.000 0.286 239 Y C 2.186 178.092 175.900 0.009 0.000 1.145 239 Y CA 1.410 59.508 58.100 -0.003 0.000 1.148 239 Y CB -0.507 37.873 38.460 -0.133 0.000 0.981 239 Y HN 0.034 nan 8.280 nan 0.000 0.507 240 L N -0.407 120.778 121.223 -0.063 0.000 2.079 240 L HA -0.269 4.074 4.340 0.006 0.000 0.210 240 L C 2.406 179.263 176.870 -0.022 0.000 1.081 240 L CA 1.546 56.359 54.840 -0.046 0.000 0.752 240 L CB -0.624 41.522 42.059 0.145 0.000 0.896 240 L HN 0.303 nan 8.230 nan 0.000 0.433 241 I N -0.221 120.412 120.570 0.105 0.000 2.090 241 I HA -0.293 3.880 4.170 0.006 0.000 0.236 241 I C 2.850 178.971 176.117 0.006 0.000 1.064 241 I CA 1.303 62.687 61.300 0.141 0.000 1.324 241 I CB -0.527 37.653 38.000 0.300 0.000 1.044 241 I HN 0.188 nan 8.210 nan 0.000 0.399 242 A N 0.119 122.933 122.820 -0.010 0.000 1.892 242 A HA -0.339 3.984 4.320 0.006 0.000 0.218 242 A C 2.231 179.734 177.584 -0.134 0.000 1.188 242 A CA 2.356 54.379 52.037 -0.024 0.000 0.631 242 A CB -0.835 18.178 19.000 0.023 0.000 0.822 242 A HN 0.489 nan 8.150 nan 0.000 0.447 243 Q N -0.617 118.978 119.800 -0.342 0.000 2.124 243 Q HA -0.125 4.219 4.340 0.006 0.000 0.202 243 Q C 2.002 177.885 176.000 -0.194 0.000 0.977 243 Q CA 2.543 58.138 55.803 -0.347 0.000 0.850 243 Q CB -0.692 27.661 28.738 -0.642 0.000 0.901 243 Q HN 0.596 nan 8.270 nan 0.000 0.429 244 T N 0.442 114.888 114.554 -0.179 0.000 2.812 244 T HA -0.014 4.340 4.350 0.006 0.000 0.264 244 T C 1.650 176.225 174.700 -0.208 0.000 1.042 244 T CA 1.143 63.147 62.100 -0.160 0.000 1.140 244 T CB -0.140 68.639 68.868 -0.149 0.000 0.870 244 T HN 0.211 nan 8.240 nan 0.000 0.445 245 L N 0.167 121.258 121.223 -0.219 0.000 2.056 245 L HA 0.223 4.567 4.340 0.006 0.000 0.207 245 L C 1.513 177.993 176.870 -0.650 0.000 1.078 245 L CA 0.825 55.424 54.840 -0.402 0.000 0.749 245 L CB -0.615 41.319 42.059 -0.209 0.000 0.901 245 L HN 0.516 nan 8.230 nan 0.000 0.433 246 G N -2.378 106.256 108.800 -0.277 0.000 2.361 246 G HA2 -0.038 3.925 3.960 0.006 0.000 0.331 246 G HA3 -0.038 3.925 3.960 0.006 0.000 0.331 246 G C -2.584 172.393 174.900 0.129 0.000 1.324 246 G CA -0.563 44.460 45.100 -0.129 0.000 0.984 246 G HN -0.242 nan 8.290 nan 0.000 0.586 247 P HA -0.053 nan 4.420 nan 0.000 0.217 247 P C 1.504 178.902 177.300 0.163 0.000 1.148 247 P CA 1.550 64.742 63.100 0.153 0.000 0.828 247 P CB 0.079 31.855 31.700 0.127 0.000 0.783 248 K N -1.328 119.202 120.400 0.216 0.000 2.426 248 K HA 0.229 4.553 4.320 0.006 0.000 0.193 248 K C 0.679 177.320 176.600 0.068 0.000 1.028 248 K CA -0.087 56.233 56.287 0.054 0.000 1.047 248 K CB 0.175 32.571 32.500 -0.172 0.000 0.821 248 K HN 0.068 nan 8.250 nan 0.000 0.513 249 A N 1.759 124.720 122.820 0.236 0.000 2.274 249 A HA 0.338 4.661 4.320 0.006 0.000 0.309 249 A C -0.528 177.161 177.584 0.175 0.000 1.226 249 A CA -0.383 51.772 52.037 0.198 0.000 0.853 249 A CB 0.574 19.726 19.000 0.254 0.000 1.146 249 A HN 0.112 nan 8.150 nan 0.000 0.518 250 Q N 0.429 120.368 119.800 0.232 0.000 2.544 250 Q HA 0.456 4.800 4.340 0.006 0.000 0.291 250 Q C -1.388 174.783 176.000 0.286 0.000 1.068 250 Q CA -0.821 55.145 55.803 0.271 0.000 0.785 250 Q CB 2.242 31.176 28.738 0.326 0.000 1.481 250 Q HN 0.769 nan 8.270 nan 0.000 0.430 251 C N 1.473 120.879 119.300 0.177 0.000 2.388 251 C HA 0.579 5.042 4.460 0.006 0.000 0.362 251 C C -0.136 174.795 174.990 -0.098 0.000 1.266 251 C CA -0.627 58.467 59.018 0.125 0.000 2.028 251 C CB -0.464 27.403 27.740 0.211 0.000 2.440 251 C HN 0.628 nan 8.230 nan 0.000 0.547 252 L N 3.710 124.840 121.223 -0.156 0.000 2.307 252 L HA 0.681 5.025 4.340 0.006 0.000 0.284 252 L C -0.731 175.892 176.870 -0.412 0.000 1.023 252 L CA -0.104 54.474 54.840 -0.436 0.000 0.810 252 L CB 1.053 42.822 42.059 -0.482 0.000 1.231 252 L HN 0.537 nan 8.230 nan 0.000 0.423 253 V N 4.250 123.870 119.914 -0.489 0.000 2.347 253 V HA 0.309 4.433 4.120 0.006 0.000 0.280 253 V C -0.425 175.502 176.094 -0.279 0.000 1.021 253 V CA -0.591 61.524 62.300 -0.308 0.000 0.847 253 V CB 1.280 33.007 31.823 -0.159 0.000 0.990 253 V HN 0.660 nan 8.190 nan 0.000 0.444 254 D N 4.226 124.397 120.400 -0.381 0.000 2.280 254 D HA 0.314 4.957 4.640 0.006 0.000 0.236 254 D C 1.090 177.294 176.300 -0.161 0.000 1.082 254 D CA -0.390 53.369 54.000 -0.401 0.000 0.834 254 D CB 1.856 42.039 40.800 -1.029 0.000 1.100 254 D HN 0.379 nan 8.370 nan 0.000 0.486 255 L N 2.865 124.101 121.223 0.021 0.000 2.081 255 L HA -0.122 4.221 4.340 0.006 0.000 0.212 255 L C 2.036 179.046 176.870 0.234 0.000 1.080 255 L CA 1.520 56.466 54.840 0.177 0.000 0.754 255 L CB -0.280 41.875 42.059 0.160 0.000 0.893 255 L HN 0.478 nan 8.230 nan 0.000 0.433 256 G N -2.487 106.385 108.800 0.120 0.000 3.314 256 G HA2 -0.015 3.949 3.960 0.006 0.000 0.238 256 G HA3 -0.015 3.949 3.960 0.006 0.000 0.238 256 G C 0.729 175.763 174.900 0.222 0.000 1.184 256 G CA -0.280 44.922 45.100 0.171 0.000 0.806 256 G HN 0.520 nan 8.290 nan 0.000 0.536 257 H N -0.193 118.804 119.070 -0.123 0.000 2.487 257 H HA 0.187 4.747 4.556 0.006 0.000 0.290 257 H C -0.080 175.014 175.328 -0.391 0.000 1.081 257 H CA -0.483 55.385 56.048 -0.300 0.000 1.116 257 H CB 0.488 30.009 29.762 -0.401 0.000 1.560 257 H HN 0.336 nan 8.280 nan 0.000 0.548 258 H N -0.029 119.176 119.070 0.224 0.000 2.670 258 H HA 0.420 4.979 4.556 0.005 0.000 0.361 258 H C 0.059 175.496 175.328 0.182 0.000 1.169 258 H CA -0.791 55.380 56.048 0.205 0.000 1.198 258 H CB 1.636 31.503 29.762 0.175 0.000 1.700 258 H HN 0.233 nan 8.280 nan 0.000 0.542 259 A N 2.547 125.534 122.820 0.279 0.000 2.466 259 A HA 0.203 4.527 4.320 0.006 0.000 0.238 259 A C -2.128 175.563 177.584 0.179 0.000 1.074 259 A CA -0.963 51.199 52.037 0.207 0.000 0.774 259 A CB -0.675 18.414 19.000 0.149 0.000 1.015 259 A HN 0.410 nan 8.150 nan 0.000 0.498 260 P HA 0.049 nan 4.420 nan 0.000 0.264 260 P C 0.033 177.385 177.300 0.086 0.000 1.183 260 P CA 0.673 63.841 63.100 0.112 0.000 0.763 260 P CB 0.210 31.968 31.700 0.095 0.000 0.807 261 N N -1.220 117.521 118.700 0.070 0.000 2.936 261 N HA -0.133 4.610 4.740 0.006 0.000 0.236 261 N C -0.352 175.183 175.510 0.041 0.000 0.930 261 N CA 1.163 54.242 53.050 0.048 0.000 0.966 261 N CB -2.306 36.205 38.487 0.040 0.000 1.090 261 N HN 0.382 nan 8.380 nan 0.000 0.592 262 T N 1.651 116.241 114.554 0.060 0.000 2.946 262 T HA -0.020 4.333 4.350 0.006 0.000 0.311 262 T C 0.778 175.463 174.700 -0.026 0.000 1.063 262 T CA -0.028 62.093 62.100 0.035 0.000 1.139 262 T CB 0.578 69.492 68.868 0.077 0.000 0.994 262 T HN 0.160 nan 8.240 nan 0.000 0.547 263 N N 2.925 121.591 118.700 -0.056 0.000 2.521 263 N HA 0.134 4.878 4.740 0.006 0.000 0.236 263 N C 0.971 176.379 175.510 -0.170 0.000 1.067 263 N CA -0.208 52.788 53.050 -0.090 0.000 0.939 263 N CB 0.091 38.532 38.487 -0.075 0.000 1.201 263 N HN 0.551 nan 8.380 nan 0.000 0.511 264 I N 1.968 122.420 120.570 -0.197 0.000 2.353 264 I HA -0.213 3.961 4.170 0.006 0.000 0.248 264 I C 2.200 178.185 176.117 -0.219 0.000 1.119 264 I CA 0.684 61.804 61.300 -0.298 0.000 1.417 264 I CB -0.010 37.819 38.000 -0.286 0.000 1.078 264 I HN 0.540 nan 8.210 nan 0.000 0.421 265 E N 1.581 121.688 120.200 -0.156 0.000 2.204 265 E HA -0.304 4.049 4.350 0.006 0.000 0.195 265 E C 2.095 178.602 176.600 -0.155 0.000 0.990 265 E CA 1.413 57.733 56.400 -0.132 0.000 0.821 265 E CB -0.667 28.954 29.700 -0.133 0.000 0.750 265 E HN 0.576 nan 8.360 nan 0.000 0.477 266 M N 0.773 120.261 119.600 -0.187 0.000 2.175 266 M HA -0.049 4.434 4.480 0.006 0.000 0.264 266 M C 2.235 178.325 176.300 -0.350 0.000 1.063 266 M CA 1.187 56.359 55.300 -0.212 0.000 1.119 266 M CB -0.035 32.456 32.600 -0.181 0.000 1.377 266 M HN 0.012 nan 8.290 nan 0.000 0.415 267 I N -0.324 119.958 120.570 -0.480 0.000 2.226 267 I HA -0.272 3.902 4.170 0.006 0.000 0.245 267 I C 2.231 178.064 176.117 -0.474 0.000 1.100 267 I CA 1.076 61.895 61.300 -0.801 0.000 1.374 267 I CB -0.511 37.031 38.000 -0.763 0.000 1.057 267 I HN 0.153 nan 8.210 nan 0.000 0.413 268 V N 1.200 120.977 119.914 -0.228 0.000 2.287 268 V HA -0.348 3.776 4.120 0.006 0.000 0.248 268 V C 2.751 178.815 176.094 -0.050 0.000 1.053 268 V CA 2.166 64.433 62.300 -0.055 0.000 1.027 268 V CB -1.109 30.775 31.823 0.101 0.000 0.646 268 V HN 0.521 nan 8.190 nan 0.000 0.447 269 A N -0.235 122.529 122.820 -0.093 0.000 1.902 269 A HA -0.208 4.116 4.320 0.006 0.000 0.217 269 A C 2.362 179.921 177.584 -0.043 0.000 1.181 269 A CA 1.594 53.592 52.037 -0.066 0.000 0.623 269 A CB -0.470 18.479 19.000 -0.084 0.000 0.818 269 A HN 0.421 nan 8.150 nan 0.000 0.443 270 R N -0.416 120.009 120.500 -0.126 0.000 2.081 270 R HA -0.034 4.309 4.340 0.006 0.000 0.235 270 R C 2.076 178.452 176.300 0.128 0.000 1.131 270 R CA 1.226 57.306 56.100 -0.034 0.000 0.960 270 R CB -0.919 29.177 30.300 -0.339 0.000 0.856 270 R HN 0.587 nan 8.270 nan 0.000 0.436 271 L N 0.279 121.520 121.223 0.029 0.000 2.141 271 L HA -0.113 4.230 4.340 0.006 0.000 0.209 271 L C 2.425 179.417 176.870 0.204 0.000 1.094 271 L CA 0.964 55.910 54.840 0.176 0.000 0.763 271 L CB -0.336 41.782 42.059 0.099 0.000 0.908 271 L HN 0.115 nan 8.230 nan 0.000 0.437 272 I N -0.588 120.071 120.570 0.147 0.000 2.202 272 I HA -0.308 3.866 4.170 0.006 0.000 0.242 272 I C 2.690 178.871 176.117 0.107 0.000 1.091 272 I CA 1.195 62.594 61.300 0.164 0.000 1.368 272 I CB -0.304 37.760 38.000 0.107 0.000 1.058 272 I HN 0.362 nan 8.210 nan 0.000 0.410 273 Q N 0.905 120.746 119.800 0.067 0.000 2.152 273 Q HA -0.221 4.122 4.340 0.006 0.000 0.206 273 Q C 1.506 177.382 176.000 -0.207 0.000 0.985 273 Q CA 1.964 57.722 55.803 -0.074 0.000 0.863 273 Q CB -0.013 28.685 28.738 -0.067 0.000 0.904 273 Q HN 0.470 nan 8.270 nan 0.000 0.422 274 F N -0.932 119.067 119.950 0.082 0.000 2.641 274 F HA 0.313 4.844 4.527 0.007 0.000 0.302 274 F C 1.211 177.125 175.800 0.189 0.000 1.098 274 F CA 0.336 58.417 58.000 0.136 0.000 1.318 274 F CB 0.852 39.932 39.000 0.133 0.000 1.035 274 F HN 0.201 nan 8.300 nan 0.000 0.551 275 G N 0.783 109.732 108.800 0.249 0.000 2.225 275 G HA2 -0.315 3.649 3.960 0.006 0.000 0.267 275 G HA3 -0.315 3.649 3.960 0.006 0.000 0.267 275 G C 0.915 175.956 174.900 0.235 0.000 1.024 275 G CA 0.155 45.385 45.100 0.217 0.000 0.784 275 G HN 0.227 nan 8.290 nan 0.000 0.507 276 K N -0.765 119.802 120.400 0.277 0.000 2.618 276 K HA 0.290 4.614 4.320 0.006 0.000 0.207 276 K C 0.487 177.183 176.600 0.160 0.000 1.058 276 K CA -0.568 55.868 56.287 0.248 0.000 1.086 276 K CB 0.625 33.335 32.500 0.351 0.000 0.827 276 K HN 0.393 nan 8.250 nan 0.000 0.481 277 L N 1.112 122.389 121.223 0.090 0.000 2.356 277 L HA 0.277 4.621 4.340 0.006 0.000 0.282 277 L C 1.168 177.917 176.870 -0.203 0.000 1.132 277 L CA 0.181 54.973 54.840 -0.081 0.000 0.923 277 L CB 0.585 42.612 42.059 -0.053 0.000 1.278 277 L HN 0.236 nan 8.230 nan 0.000 0.436 278 G N 2.914 111.561 108.800 -0.255 0.000 2.404 278 G HA2 0.367 4.330 3.960 0.006 0.000 0.215 278 G HA3 0.367 4.330 3.960 0.006 0.000 0.215 278 G C 0.579 174.940 174.900 -0.898 0.000 1.174 278 G CA 0.708 45.561 45.100 -0.412 0.000 0.780 278 G HN 0.953 nan 8.290 nan 0.000 0.537 279 G N -2.043 106.156 108.800 -1.001 0.000 2.341 279 G HA2 0.472 4.435 3.960 0.006 0.000 0.299 279 G HA3 0.472 4.435 3.960 0.006 0.000 0.299 279 G C -1.891 172.377 174.900 -1.054 0.000 1.274 279 G CA -1.009 43.522 45.100 -0.948 0.000 0.853 279 G HN 0.092 nan 8.290 nan 0.000 0.493 280 F N -0.518 119.105 119.950 -0.545 0.000 2.588 280 F HA 0.608 5.138 4.527 0.006 0.000 0.314 280 F C 0.033 175.593 175.800 -0.400 0.000 1.069 280 F CA -0.603 57.022 58.000 -0.624 0.000 0.931 280 F CB 2.610 40.925 39.000 -1.142 0.000 1.260 280 F HN 0.377 nan 8.300 nan 0.000 0.465 281 H N 2.037 120.912 119.070 -0.324 0.000 2.786 281 H HA 0.327 4.886 4.556 0.006 0.000 0.284 281 H C -1.157 174.062 175.328 -0.181 0.000 1.104 281 H CA -0.731 55.205 56.048 -0.187 0.000 1.339 281 H CB 0.852 30.501 29.762 -0.188 0.000 1.427 281 H HN 0.325 nan 8.280 nan 0.000 0.497 282 F N 3.102 123.165 119.950 0.188 0.000 2.399 282 F HA 0.151 4.681 4.527 0.006 0.000 0.342 282 F C 0.636 176.487 175.800 0.085 0.000 1.106 282 F CA -0.112 57.967 58.000 0.132 0.000 1.196 282 F CB 0.871 39.959 39.000 0.148 0.000 1.163 282 F HN 0.710 nan 8.300 nan 0.000 0.547 283 N N -0.685 118.193 118.700 0.297 0.000 3.717 283 N HA 0.276 5.019 4.740 0.006 0.000 0.239 283 N C -2.243 173.366 175.510 0.164 0.000 1.388 283 N CA -0.990 52.167 53.050 0.179 0.000 0.828 283 N CB 0.843 39.397 38.487 0.111 0.000 1.468 283 N HN 0.316 nan 8.380 nan 0.000 0.445 284 D N -1.515 118.961 120.400 0.125 0.000 2.493 284 D HA 0.830 5.473 4.640 0.006 0.000 0.239 284 D C -1.198 175.161 176.300 0.098 0.000 1.049 284 D CA -0.046 54.022 54.000 0.113 0.000 1.008 284 D CB 2.085 42.945 40.800 0.101 0.000 1.398 284 D HN 0.827 nan 8.370 nan 0.000 0.513 285 S N -0.294 115.457 115.700 0.084 0.000 2.615 285 S HA 0.385 4.859 4.470 0.006 0.000 0.268 285 S C -0.082 174.527 174.600 0.014 0.000 1.146 285 S CA -0.796 57.451 58.200 0.078 0.000 0.818 285 S CB 2.361 65.624 63.200 0.105 0.000 1.111 285 S HN 0.471 nan 8.310 nan 0.000 0.465 286 K N -0.976 119.390 120.400 -0.057 0.000 2.548 286 K HA 0.337 4.660 4.320 0.006 0.000 0.209 286 K C 0.136 176.449 176.600 -0.480 0.000 1.420 286 K CA 0.004 56.097 56.287 -0.323 0.000 0.985 286 K CB 0.193 32.365 32.500 -0.546 0.000 1.249 286 K HN 0.672 nan 8.250 nan 0.000 0.557 287 Y N -0.713 119.649 120.300 0.103 0.000 2.569 287 Y HA 0.398 4.952 4.550 0.005 0.000 0.278 287 Y C 1.450 177.444 175.900 0.157 0.000 1.130 287 Y CA 0.295 58.464 58.100 0.116 0.000 1.280 287 Y CB 0.360 38.884 38.460 0.106 0.000 1.379 287 Y HN 0.095 nan 8.280 nan 0.000 0.508 288 G N -1.007 107.989 108.800 0.327 0.000 3.253 288 G HA2 0.163 4.127 3.960 0.006 0.000 0.175 288 G HA3 0.163 4.127 3.960 0.006 0.000 0.175 288 G C -1.283 173.709 174.900 0.154 0.000 1.098 288 G CA -0.296 44.969 45.100 0.275 0.000 0.790 288 G HN -0.055 nan 8.290 nan 0.000 0.648 289 D N 0.793 121.223 120.400 0.049 0.000 2.713 289 D HA 0.220 4.863 4.640 0.006 0.000 0.229 289 D C 0.579 176.917 176.300 0.064 0.000 1.136 289 D CA -0.316 53.705 54.000 0.034 0.000 1.010 289 D CB -0.035 40.706 40.800 -0.099 0.000 1.084 289 D HN 0.155 nan 8.370 nan 0.000 0.495 290 D N 0.920 121.386 120.400 0.110 0.000 2.264 290 D HA -0.137 4.506 4.640 0.006 0.000 0.208 290 D C 0.269 176.617 176.300 0.080 0.000 0.966 290 D CA 0.495 54.566 54.000 0.118 0.000 0.864 290 D CB -0.003 40.892 40.800 0.159 0.000 0.933 290 D HN 0.410 nan 8.370 nan 0.000 0.499 291 D N 0.018 120.457 120.400 0.066 0.000 2.708 291 D HA -0.180 4.464 4.640 0.006 0.000 0.236 291 D C 0.036 176.348 176.300 0.020 0.000 1.146 291 D CA 0.394 54.416 54.000 0.037 0.000 0.662 291 D CB -1.250 39.557 40.800 0.012 0.000 1.059 291 D HN 0.331 nan 8.370 nan 0.000 0.428 292 L N 0.000 121.259 121.223 0.059 0.000 2.454 292 L HA 0.236 4.580 4.340 0.006 0.000 0.256 292 L C 0.942 177.863 176.870 0.085 0.000 1.136 292 L CA -0.733 54.148 54.840 0.070 0.000 0.804 292 L CB 0.447 42.560 42.059 0.091 0.000 1.181 292 L HN -0.198 nan 8.230 nan 0.000 0.469 293 D N 1.386 121.853 120.400 0.111 0.000 2.531 293 D HA 0.181 4.824 4.640 0.006 0.000 0.239 293 D C 0.175 176.538 176.300 0.105 0.000 1.144 293 D CA 0.281 54.356 54.000 0.126 0.000 0.869 293 D CB 0.651 41.522 40.800 0.118 0.000 1.160 293 D HN 0.577 nan 8.370 nan 0.000 0.484 294 A N 2.339 125.225 122.820 0.110 0.000 2.567 294 A HA 0.413 4.737 4.320 0.006 0.000 0.240 294 A C 1.695 179.325 177.584 0.077 0.000 1.053 294 A CA 0.466 52.567 52.037 0.107 0.000 0.755 294 A CB -0.341 18.718 19.000 0.098 0.000 0.978 294 A HN 0.999 nan 8.150 nan 0.000 0.507 295 G N 1.011 109.866 108.800 0.091 0.000 2.189 295 G HA2 -0.088 3.875 3.960 0.006 0.000 0.267 295 G HA3 -0.088 3.875 3.960 0.006 0.000 0.267 295 G C 1.112 176.058 174.900 0.078 0.000 0.975 295 G CA 1.189 46.341 45.100 0.087 0.000 0.644 295 G HN 2.085 nan 8.290 nan 0.000 0.537 296 A N -0.642 122.221 122.820 0.072 0.000 2.119 296 A HA 0.461 4.785 4.320 0.006 0.000 0.217 296 A C 2.156 179.778 177.584 0.062 0.000 1.153 296 A CA 1.787 53.862 52.037 0.063 0.000 0.692 296 A CB -0.131 18.909 19.000 0.067 0.000 0.799 296 A HN 0.522 nan 8.150 nan 0.000 0.458 297 I N -1.621 118.989 120.570 0.066 0.000 3.443 297 I HA 0.157 4.331 4.170 0.006 0.000 0.277 297 I C 0.236 176.387 176.117 0.057 0.000 1.169 297 I CA 0.738 62.069 61.300 0.052 0.000 1.419 297 I CB -0.594 37.430 38.000 0.039 0.000 1.331 297 I HN 0.213 nan 8.210 nan 0.000 0.458 298 E N 2.433 122.678 120.200 0.075 0.000 3.108 298 E HA 0.193 4.547 4.350 0.006 0.000 0.228 298 E C -1.820 174.856 176.600 0.128 0.000 1.176 298 E CA -1.382 55.073 56.400 0.091 0.000 0.881 298 E CB 1.853 31.597 29.700 0.072 0.000 1.354 298 E HN 0.107 nan 8.360 nan 0.000 0.400 299 P HA -0.209 nan 4.420 nan 0.000 0.218 299 P C 1.219 178.694 177.300 0.292 0.000 1.149 299 P CA 0.969 64.207 63.100 0.229 0.000 0.817 299 P CB 0.257 32.109 31.700 0.253 0.000 0.785 300 Y N 1.886 122.188 120.300 0.003 0.000 2.200 300 Y HA -0.122 4.432 4.550 0.006 0.000 0.290 300 Y C 2.905 178.775 175.900 -0.050 0.000 1.137 300 Y CA 1.304 59.213 58.100 -0.317 0.000 1.163 300 Y CB -0.890 37.291 38.460 -0.466 0.000 0.988 300 Y HN -0.220 nan 8.280 nan 0.000 0.518 301 R N -0.337 120.171 120.500 0.014 0.000 2.105 301 R HA -0.197 4.147 4.340 0.006 0.000 0.239 301 R C 2.155 178.455 176.300 -0.000 0.000 1.135 301 R CA 1.697 57.774 56.100 -0.038 0.000 0.967 301 R CB -0.617 29.696 30.300 0.022 0.000 0.861 301 R HN 0.422 nan 8.270 nan 0.000 0.442 302 L N 0.349 121.629 121.223 0.095 0.000 2.056 302 L HA -0.099 4.244 4.340 0.006 0.000 0.207 302 L C 1.988 178.981 176.870 0.206 0.000 1.078 302 L CA 1.645 56.579 54.840 0.157 0.000 0.749 302 L CB -0.721 41.442 42.059 0.172 0.000 0.901 302 L HN 0.255 nan 8.230 nan 0.000 0.433 303 F N -0.351 119.617 119.950 0.030 0.000 2.102 303 F HA -0.218 4.313 4.527 0.006 0.000 0.298 303 F C 2.014 177.770 175.800 -0.073 0.000 1.105 303 F CA 1.790 59.806 58.000 0.025 0.000 1.239 303 F CB -0.349 38.666 39.000 0.026 0.000 0.991 303 F HN 0.034 nan 8.300 nan 0.000 0.474 304 L N -0.381 120.689 121.223 -0.256 0.000 2.131 304 L HA -0.200 4.144 4.340 0.006 0.000 0.210 304 L C 2.329 179.031 176.870 -0.280 0.000 1.092 304 L CA 0.778 55.391 54.840 -0.379 0.000 0.759 304 L CB -0.759 41.093 42.059 -0.344 0.000 0.903 304 L HN 0.098 nan 8.230 nan 0.000 0.435 305 V N -1.009 118.794 119.914 -0.185 0.000 2.453 305 V HA -0.233 3.890 4.120 0.006 0.000 0.247 305 V C 2.135 178.067 176.094 -0.270 0.000 1.048 305 V CA 1.623 63.807 62.300 -0.193 0.000 1.049 305 V CB -0.470 31.243 31.823 -0.182 0.000 0.672 305 V HN 0.230 nan 8.190 nan 0.000 0.457 306 F N 0.867 120.689 119.950 -0.214 0.000 2.325 306 F HA -0.079 4.451 4.527 0.006 0.000 0.299 306 F C 2.254 177.911 175.800 -0.239 0.000 1.090 306 F CA 1.523 59.419 58.000 -0.173 0.000 1.392 306 F CB -0.489 38.398 39.000 -0.188 0.000 1.053 306 F HN 0.237 nan 8.300 nan 0.000 0.521 307 N N 0.334 118.850 118.700 -0.307 0.000 2.166 307 N HA -0.183 4.561 4.740 0.006 0.000 0.186 307 N C 1.735 177.140 175.510 -0.175 0.000 1.019 307 N CA 1.475 54.311 53.050 -0.357 0.000 0.856 307 N CB -0.084 38.082 38.487 -0.534 0.000 0.993 307 N HN 0.076 nan 8.380 nan 0.000 0.426 308 E N 0.310 120.422 120.200 -0.147 0.000 2.072 308 E HA -0.084 4.270 4.350 0.006 0.000 0.191 308 E C 2.127 178.694 176.600 -0.055 0.000 0.985 308 E CA 0.582 56.925 56.400 -0.095 0.000 0.801 308 E CB -0.325 29.332 29.700 -0.072 0.000 0.750 308 E HN 0.478 nan 8.360 nan 0.000 0.452 309 L N 0.384 121.621 121.223 0.022 0.000 2.046 309 L HA -0.147 4.197 4.340 0.006 0.000 0.208 309 L C 2.536 179.481 176.870 0.125 0.000 1.077 309 L CA 0.814 55.761 54.840 0.178 0.000 0.747 309 L CB -0.574 41.661 42.059 0.293 0.000 0.896 309 L HN -0.022 nan 8.230 nan 0.000 0.432 310 V N -0.067 119.919 119.914 0.120 0.000 2.427 310 V HA -0.289 3.835 4.120 0.006 0.000 0.248 310 V C 2.338 178.422 176.094 -0.017 0.000 1.051 310 V CA 1.977 64.332 62.300 0.091 0.000 1.048 310 V CB -0.590 31.254 31.823 0.036 0.000 0.666 310 V HN 0.580 nan 8.190 nan 0.000 0.456 311 D N 0.635 120.994 120.400 -0.068 0.000 2.144 311 D HA -0.177 4.467 4.640 0.006 0.000 0.199 311 D C 2.081 178.293 176.300 -0.147 0.000 0.984 311 D CA 1.697 55.640 54.000 -0.094 0.000 0.834 311 D CB 0.278 41.019 40.800 -0.098 0.000 0.955 311 D HN 0.423 nan 8.370 nan 0.000 0.465 312 A N 0.884 123.555 122.820 -0.250 0.000 1.897 312 A HA -0.130 4.194 4.320 0.006 0.000 0.215 312 A C 2.160 179.516 177.584 -0.380 0.000 1.181 312 A CA 1.403 53.170 52.037 -0.450 0.000 0.620 312 A CB -0.566 17.873 19.000 -0.935 0.000 0.821 312 A HN 0.380 nan 8.150 nan 0.000 0.443 313 E N 0.083 120.150 120.200 -0.222 0.000 2.110 313 E HA -0.120 4.234 4.350 0.006 0.000 0.193 313 E C 2.030 178.631 176.600 0.002 0.000 0.988 313 E CA 0.962 57.364 56.400 0.005 0.000 0.804 313 E CB -0.219 29.600 29.700 0.199 0.000 0.745 313 E HN 0.544 nan 8.360 nan 0.000 0.458 314 A N 2.292 125.096 122.820 -0.027 0.000 1.821 314 A HA -0.167 4.157 4.320 0.006 0.000 0.215 314 A C 1.690 179.253 177.584 -0.035 0.000 1.214 314 A CA 1.461 53.486 52.037 -0.020 0.000 0.608 314 A CB -0.656 18.325 19.000 -0.031 0.000 0.862 314 A HN 0.369 nan 8.150 nan 0.000 0.448 315 R N 0.985 121.447 120.500 -0.064 0.000 4.559 315 R HA 0.300 4.644 4.340 0.006 0.000 0.177 315 R C 0.516 176.774 176.300 -0.070 0.000 1.875 315 R CA 0.152 56.215 56.100 -0.062 0.000 1.509 315 R CB -1.590 28.667 30.300 -0.073 0.000 1.395 315 R HN 0.487 nan 8.270 nan 0.000 0.830 316 G N 1.315 110.090 108.800 -0.042 0.000 2.938 316 G HA2 -0.182 3.782 3.960 0.006 0.000 0.324 316 G HA3 -0.182 3.782 3.960 0.006 0.000 0.324 316 G C -0.177 174.697 174.900 -0.044 0.000 0.220 316 G CA -0.100 44.984 45.100 -0.026 0.000 1.222 316 G HN 0.369 nan 8.290 nan 0.000 0.274 317 V N 4.110 123.994 119.914 -0.051 0.000 2.919 317 V HA 0.402 4.525 4.120 0.006 0.000 0.316 317 V C 0.832 176.963 176.094 0.061 0.000 1.077 317 V CA -0.830 61.449 62.300 -0.036 0.000 0.977 317 V CB 2.143 33.864 31.823 -0.170 0.000 1.039 317 V HN 1.014 nan 8.190 nan 0.000 0.441 318 K N 2.233 122.675 120.400 0.069 0.000 2.110 318 K HA -0.083 4.241 4.320 0.006 0.000 0.246 318 K C 0.890 177.561 176.600 0.118 0.000 1.338 318 K CA 0.873 57.215 56.287 0.091 0.000 1.363 318 K CB -1.362 31.193 32.500 0.091 0.000 0.786 318 K HN 1.294 nan 8.250 nan 0.000 0.466 319 G N 3.417 112.277 108.800 0.099 0.000 2.439 319 G HA2 -0.348 3.615 3.960 0.006 0.000 0.305 319 G HA3 -0.348 3.615 3.960 0.006 0.000 0.305 319 G C -0.058 174.853 174.900 0.019 0.000 0.966 319 G CA 0.318 45.489 45.100 0.119 0.000 0.890 319 G HN 0.826 nan 8.290 nan 0.000 0.513 320 F N 1.886 121.720 119.950 -0.193 0.000 2.408 320 F HA 0.177 4.707 4.527 0.006 0.000 0.361 320 F C 0.660 176.204 175.800 -0.427 0.000 1.108 320 F CA 0.326 58.205 58.000 -0.201 0.000 0.982 320 F CB 0.168 39.089 39.000 -0.132 0.000 0.980 320 F HN 0.299 nan 8.300 nan 0.000 0.557 321 H N 6.582 125.449 119.070 -0.338 0.000 2.514 321 H HA 0.206 4.765 4.556 0.006 0.000 0.226 321 H C -2.247 172.863 175.328 -0.363 0.000 1.421 321 H CA -1.341 54.537 56.048 -0.284 0.000 1.394 321 H CB 0.129 29.843 29.762 -0.080 0.000 1.701 321 H HN 0.467 nan 8.280 nan 0.000 0.515 322 P HA 0.168 nan 4.420 nan 0.000 0.269 322 P C -0.018 177.015 177.300 -0.445 0.000 1.209 322 P CA -0.306 62.486 63.100 -0.514 0.000 0.776 322 P CB 1.312 32.641 31.700 -0.619 0.000 0.876 323 A N 2.778 125.354 122.820 -0.406 0.000 2.328 323 A HA 0.340 4.663 4.320 0.006 0.000 0.284 323 A C -0.406 177.012 177.584 -0.275 0.000 1.160 323 A CA -0.406 51.482 52.037 -0.248 0.000 0.818 323 A CB -0.376 18.551 19.000 -0.122 0.000 1.087 323 A HN 0.647 nan 8.150 nan 0.000 0.504 324 H N 1.378 120.509 119.070 0.102 0.000 2.488 324 H HA 0.630 5.190 4.556 0.006 0.000 0.322 324 H C -0.186 175.292 175.328 0.249 0.000 1.078 324 H CA 0.068 56.290 56.048 0.290 0.000 1.260 324 H CB 1.213 31.207 29.762 0.386 0.000 1.425 324 H HN 0.673 nan 8.280 nan 0.000 0.471 325 M N 2.773 122.603 119.600 0.383 0.000 2.531 325 M HA 0.438 4.922 4.480 0.006 0.000 0.286 325 M C -0.974 175.504 176.300 0.296 0.000 1.232 325 M CA -0.564 54.898 55.300 0.269 0.000 0.877 325 M CB 2.802 35.521 32.600 0.199 0.000 1.726 325 M HN 0.372 nan 8.290 nan 0.000 0.463 326 I N 1.185 121.850 120.570 0.160 0.000 2.359 326 I HA 0.307 4.481 4.170 0.006 0.000 0.294 326 I C -0.812 175.272 176.117 -0.056 0.000 0.987 326 I CA -0.241 61.142 61.300 0.138 0.000 1.225 326 I CB 1.343 39.407 38.000 0.106 0.000 1.366 326 I HN 0.567 nan 8.210 nan 0.000 0.466 327 D N 6.821 127.205 120.400 -0.028 0.000 2.389 327 D HA 0.364 5.008 4.640 0.006 0.000 0.256 327 D C -0.940 175.388 176.300 0.047 0.000 1.239 327 D CA -0.190 53.794 54.000 -0.026 0.000 0.925 327 D CB 0.832 41.532 40.800 -0.167 0.000 1.145 327 D HN 0.486 nan 8.370 nan 0.000 0.542 328 Q N 1.477 121.280 119.800 0.006 0.000 2.495 328 Q HA 0.653 4.996 4.340 0.006 0.000 0.287 328 Q C -0.852 175.010 176.000 -0.231 0.000 1.078 328 Q CA -0.999 54.744 55.803 -0.099 0.000 0.793 328 Q CB 2.825 31.484 28.738 -0.132 0.000 1.459 328 Q HN 0.326 nan 8.270 nan 0.000 0.422 329 L N 1.115 122.127 121.223 -0.352 0.000 2.408 329 L HA 0.518 4.861 4.340 0.006 0.000 0.268 329 L C -1.380 175.197 176.870 -0.488 0.000 0.986 329 L CA -0.724 53.933 54.840 -0.305 0.000 0.820 329 L CB 1.795 43.822 42.059 -0.055 0.000 1.303 329 L HN 0.666 nan 8.230 nan 0.000 0.411 330 H N 2.118 121.231 119.070 0.072 0.000 2.685 330 H HA 0.330 4.890 4.556 0.006 0.000 0.307 330 H C -0.051 175.327 175.328 0.083 0.000 1.017 330 H CA -0.681 55.407 56.048 0.066 0.000 1.237 330 H CB 0.801 30.589 29.762 0.043 0.000 1.409 330 H HN 0.415 nan 8.280 nan 0.000 0.488 331 N N 2.000 120.799 118.700 0.165 0.000 2.322 331 N HA -0.023 4.720 4.740 0.006 0.000 0.181 331 N C 0.835 176.448 175.510 0.171 0.000 1.088 331 N CA 0.552 53.707 53.050 0.175 0.000 0.885 331 N CB 1.280 39.871 38.487 0.174 0.000 1.013 331 N HN 0.479 nan 8.380 nan 0.000 0.472 332 V N -2.096 117.901 119.914 0.138 0.000 3.111 332 V HA 0.438 4.561 4.120 0.006 0.000 0.343 332 V C 0.055 176.198 176.094 0.081 0.000 1.417 332 V CA -0.209 62.146 62.300 0.091 0.000 1.142 332 V CB -0.107 31.752 31.823 0.060 0.000 1.114 332 V HN 0.148 nan 8.190 nan 0.000 0.520 333 T N -3.825 110.790 114.554 0.102 0.000 2.787 333 T HA 0.455 4.808 4.350 0.006 0.000 0.297 333 T C -1.333 173.401 174.700 0.056 0.000 1.221 333 T CA -0.295 61.847 62.100 0.070 0.000 1.006 333 T CB 2.037 70.939 68.868 0.057 0.000 1.328 333 T HN 0.157 nan 8.240 nan 0.000 0.509 334 D N 1.321 121.736 120.400 0.024 0.000 2.339 334 D HA 0.275 4.919 4.640 0.006 0.000 0.256 334 D C -1.531 174.700 176.300 -0.115 0.000 1.214 334 D CA -1.980 52.029 54.000 0.015 0.000 0.877 334 D CB 1.410 42.255 40.800 0.075 0.000 1.111 334 D HN 0.116 nan 8.370 nan 0.000 0.478 335 P HA -0.172 nan 4.420 nan 0.000 0.216 335 P C 1.627 178.679 177.300 -0.414 0.000 1.154 335 P CA 1.145 64.048 63.100 -0.329 0.000 0.865 335 P CB 0.236 31.902 31.700 -0.057 0.000 0.789 336 I N -0.725 119.679 120.570 -0.276 0.000 2.226 336 I HA -0.225 3.948 4.170 0.006 0.000 0.245 336 I C 2.235 178.059 176.117 -0.488 0.000 1.100 336 I CA 1.526 62.601 61.300 -0.376 0.000 1.374 336 I CB -0.648 37.091 38.000 -0.434 0.000 1.057 336 I HN 0.035 nan 8.210 nan 0.000 0.413 337 E N 0.363 120.276 120.200 -0.478 0.000 2.072 337 E HA -0.142 4.212 4.350 0.006 0.000 0.191 337 E C 2.357 178.813 176.600 -0.240 0.000 0.985 337 E CA 1.247 57.434 56.400 -0.355 0.000 0.801 337 E CB -0.047 29.535 29.700 -0.197 0.000 0.750 337 E HN 0.314 nan 8.360 nan 0.000 0.452 338 S N 0.974 116.510 115.700 -0.274 0.000 2.368 338 S HA -0.077 4.397 4.470 0.006 0.000 0.224 338 S C 2.010 176.504 174.600 -0.176 0.000 1.029 338 S CA 0.703 58.779 58.200 -0.207 0.000 0.988 338 S CB -0.116 62.937 63.200 -0.244 0.000 0.838 338 S HN 0.171 nan 8.310 nan 0.000 0.462 339 L N 0.874 121.926 121.223 -0.285 0.000 2.083 339 L HA -0.095 4.248 4.340 0.006 0.000 0.209 339 L C 2.128 178.934 176.870 -0.106 0.000 1.083 339 L CA 0.973 55.730 54.840 -0.139 0.000 0.752 339 L CB -0.510 41.452 42.059 -0.160 0.000 0.899 339 L HN 0.320 nan 8.230 nan 0.000 0.433 340 I N 0.009 120.487 120.570 -0.153 0.000 2.142 340 I HA -0.307 3.867 4.170 0.006 0.000 0.240 340 I C 2.069 178.142 176.117 -0.074 0.000 1.078 340 I CA 1.344 62.573 61.300 -0.119 0.000 1.343 340 I CB -0.338 37.568 38.000 -0.157 0.000 1.046 340 I HN 0.339 nan 8.210 nan 0.000 0.405 341 N N 0.322 118.980 118.700 -0.071 0.000 2.396 341 N HA -0.092 4.652 4.740 0.006 0.000 0.180 341 N C 1.928 177.422 175.510 -0.027 0.000 1.028 341 N CA 0.948 53.973 53.050 -0.042 0.000 0.893 341 N CB -0.174 38.293 38.487 -0.032 0.000 0.967 341 N HN 0.197 nan 8.380 nan 0.000 0.440 342 S N 0.479 116.171 115.700 -0.014 0.000 2.371 342 S HA 0.036 4.509 4.470 0.006 0.000 0.224 342 S C 2.063 176.655 174.600 -0.013 0.000 1.029 342 S CA 0.875 59.082 58.200 0.012 0.000 0.978 342 S CB -0.192 63.046 63.200 0.062 0.000 0.833 342 S HN 0.471 nan 8.310 nan 0.000 0.466 343 A N 2.307 125.120 122.820 -0.013 0.000 1.933 343 A HA -0.150 4.173 4.320 0.006 0.000 0.218 343 A C 1.842 179.400 177.584 -0.044 0.000 1.175 343 A CA 1.608 53.640 52.037 -0.008 0.000 0.628 343 A CB -0.835 18.169 19.000 0.007 0.000 0.814 343 A HN 0.615 nan 8.150 nan 0.000 0.444 344 N N -0.604 118.066 118.700 -0.049 0.000 2.120 344 N HA -0.151 4.593 4.740 0.006 0.000 0.188 344 N C 1.648 177.096 175.510 -0.104 0.000 1.024 344 N CA 1.104 54.115 53.050 -0.065 0.000 0.852 344 N CB -0.135 38.323 38.487 -0.049 0.000 1.003 344 N HN 0.355 nan 8.380 nan 0.000 0.424 345 E N 1.163 121.308 120.200 -0.091 0.000 2.110 345 E HA -0.126 4.227 4.350 0.006 0.000 0.193 345 E C 2.025 178.505 176.600 -0.200 0.000 0.988 345 E CA 0.717 57.055 56.400 -0.104 0.000 0.804 345 E CB -0.166 29.504 29.700 -0.049 0.000 0.745 345 E HN 0.474 nan 8.360 nan 0.000 0.458 346 I N 0.316 120.736 120.570 -0.251 0.000 2.252 346 I HA -0.241 3.932 4.170 0.006 0.000 0.245 346 I C 2.558 178.231 176.117 -0.740 0.000 1.102 346 I CA 0.939 61.959 61.300 -0.467 0.000 1.385 346 I CB -0.193 37.582 38.000 -0.375 0.000 1.064 346 I HN -0.018 nan 8.210 nan 0.000 0.414 347 R N 0.199 120.407 120.500 -0.486 0.000 2.115 347 R HA -0.115 4.229 4.340 0.006 0.000 0.230 347 R C 2.431 178.499 176.300 -0.386 0.000 1.111 347 R CA 0.833 56.642 56.100 -0.486 0.000 0.976 347 R CB -0.219 29.953 30.300 -0.212 0.000 0.870 347 R HN 0.312 nan 8.270 nan 0.000 0.445 348 R N 0.507 120.830 120.500 -0.295 0.000 2.073 348 R HA -0.104 4.240 4.340 0.006 0.000 0.234 348 R C 2.102 178.269 176.300 -0.221 0.000 1.134 348 R CA 1.567 57.543 56.100 -0.207 0.000 0.952 348 R CB -0.201 30.016 30.300 -0.138 0.000 0.850 348 R HN 0.178 nan 8.270 nan 0.000 0.433 349 A N 0.068 122.711 122.820 -0.295 0.000 1.902 349 A HA -0.221 4.103 4.320 0.006 0.000 0.217 349 A C 2.000 179.326 177.584 -0.430 0.000 1.181 349 A CA 1.341 53.256 52.037 -0.204 0.000 0.623 349 A CB -0.864 18.019 19.000 -0.195 0.000 0.818 349 A HN 0.614 nan 8.150 nan 0.000 0.443 350 Y N 0.768 120.391 120.300 -1.128 0.000 2.114 350 Y HA -0.110 4.444 4.550 0.006 0.000 0.284 350 Y C 2.653 178.293 175.900 -0.435 0.000 1.143 350 Y CA 1.304 58.789 58.100 -1.025 0.000 1.135 350 Y CB -0.798 36.771 38.460 -1.485 0.000 0.980 350 Y HN 0.296 nan 8.280 nan 0.000 0.499 351 A N 0.298 122.820 122.820 -0.497 0.000 1.908 351 A HA -0.272 4.051 4.320 0.006 0.000 0.218 351 A C 2.131 179.568 177.584 -0.244 0.000 1.181 351 A CA 2.070 53.870 52.037 -0.395 0.000 0.627 351 A CB -0.839 18.030 19.000 -0.218 0.000 0.818 351 A HN 0.700 nan 8.150 nan 0.000 0.445 352 Q N -0.744 118.993 119.800 -0.104 0.000 2.084 352 Q HA -0.097 4.246 4.340 0.006 0.000 0.202 352 Q C 2.409 178.536 176.000 0.212 0.000 0.978 352 Q CA 1.357 57.217 55.803 0.095 0.000 0.844 352 Q CB -0.408 28.474 28.738 0.240 0.000 0.898 352 Q HN 0.692 nan 8.270 nan 0.000 0.426 353 A N 0.905 123.766 122.820 0.069 0.000 1.972 353 A HA -0.153 4.171 4.320 0.006 0.000 0.219 353 A C 2.028 179.545 177.584 -0.111 0.000 1.169 353 A CA 1.045 53.028 52.037 -0.091 0.000 0.635 353 A CB -0.618 18.262 19.000 -0.199 0.000 0.810 353 A HN 0.300 nan 8.150 nan 0.000 0.446 354 L N -0.752 120.329 121.223 -0.236 0.000 2.201 354 L HA -0.113 4.230 4.340 0.006 0.000 0.212 354 L C 2.090 178.895 176.870 -0.108 0.000 1.105 354 L CA 0.707 55.408 54.840 -0.232 0.000 0.775 354 L CB -0.396 41.437 42.059 -0.377 0.000 0.913 354 L HN 0.379 nan 8.230 nan 0.000 0.440 355 L N -0.826 120.362 121.223 -0.059 0.000 2.478 355 L HA 0.015 4.358 4.340 0.006 0.000 0.223 355 L C 0.779 177.664 176.870 0.025 0.000 1.140 355 L CA -0.273 54.555 54.840 -0.020 0.000 0.842 355 L CB -0.151 41.898 42.059 -0.015 0.000 0.953 355 L HN -0.040 nan 8.230 nan 0.000 0.452 356 V N 1.063 121.011 119.914 0.057 0.000 2.599 356 V HA -0.106 4.017 4.120 0.006 0.000 0.300 356 V C 0.474 176.593 176.094 0.042 0.000 1.034 356 V CA 0.053 62.402 62.300 0.083 0.000 1.115 356 V CB 0.777 32.659 31.823 0.099 0.000 0.934 356 V HN 0.134 nan 8.190 nan 0.000 0.485 357 D N 5.388 125.819 120.400 0.052 0.000 2.435 357 D HA 0.085 4.728 4.640 0.006 0.000 0.230 357 D C 1.350 177.665 176.300 0.026 0.000 1.215 357 D CA -0.312 53.707 54.000 0.031 0.000 0.947 357 D CB 0.496 41.320 40.800 0.040 0.000 1.048 357 D HN 0.344 nan 8.370 nan 0.000 0.512 358 R N 2.841 123.345 120.500 0.006 0.000 2.091 358 R HA -0.141 4.202 4.340 0.006 0.000 0.238 358 R C 1.826 178.115 176.300 -0.019 0.000 1.136 358 R CA 1.292 57.389 56.100 -0.004 0.000 0.959 358 R CB -0.965 29.325 30.300 -0.017 0.000 0.856 358 R HN 0.489 nan 8.270 nan 0.000 0.437 359 A N 1.264 124.066 122.820 -0.030 0.000 1.877 359 A HA -0.073 4.251 4.320 0.006 0.000 0.216 359 A C 2.435 179.963 177.584 -0.092 0.000 1.186 359 A CA 1.944 53.948 52.037 -0.054 0.000 0.620 359 A CB -0.634 18.335 19.000 -0.051 0.000 0.822 359 A HN 0.355 nan 8.150 nan 0.000 0.443 360 A N -0.554 122.216 122.820 -0.084 0.000 1.877 360 A HA -0.022 4.302 4.320 0.006 0.000 0.216 360 A C 2.144 179.634 177.584 -0.157 0.000 1.186 360 A CA 1.742 53.676 52.037 -0.171 0.000 0.620 360 A CB -0.680 18.305 19.000 -0.026 0.000 0.822 360 A HN 0.684 nan 8.150 nan 0.000 0.443 361 L N 0.109 121.350 121.223 0.029 0.000 1.989 361 L HA -0.152 4.191 4.340 0.006 0.000 0.211 361 L C 2.643 179.539 176.870 0.043 0.000 1.071 361 L CA 2.750 57.657 54.840 0.111 0.000 0.749 361 L CB -0.927 41.184 42.059 0.087 0.000 0.890 361 L HN 0.385 nan 8.230 nan 0.000 0.431 362 S N -0.595 115.096 115.700 -0.015 0.000 2.374 362 S HA -0.176 4.298 4.470 0.006 0.000 0.227 362 S C 2.098 176.666 174.600 -0.053 0.000 1.037 362 S CA 1.492 59.675 58.200 -0.028 0.000 1.024 362 S CB -1.042 62.134 63.200 -0.041 0.000 0.861 362 S HN 0.678 nan 8.310 nan 0.000 0.456 363 G N -0.476 108.242 108.800 -0.136 0.000 2.446 363 G HA2 -0.176 3.788 3.960 0.006 0.000 0.217 363 G HA3 -0.176 3.788 3.960 0.006 0.000 0.217 363 G C 1.175 175.988 174.900 -0.145 0.000 1.168 363 G CA 1.039 46.021 45.100 -0.198 0.000 0.771 363 G HN 0.607 nan 8.290 nan 0.000 0.551 364 Y N 1.029 121.329 120.300 0.001 0.000 2.293 364 Y HA -0.044 4.509 4.550 0.006 0.000 0.291 364 Y C 3.107 179.008 175.900 0.002 0.000 1.137 364 Y CA 1.108 59.210 58.100 0.003 0.000 1.202 364 Y CB -0.457 38.007 38.460 0.007 0.000 0.990 364 Y HN 0.313 nan 8.280 nan 0.000 0.537 365 Q N -0.242 119.639 119.800 0.135 0.000 2.046 365 Q HA -0.155 4.189 4.340 0.006 0.000 0.200 365 Q C 1.951 177.979 176.000 0.047 0.000 0.975 365 Q CA 1.259 57.108 55.803 0.077 0.000 0.836 365 Q CB -0.108 28.658 28.738 0.046 0.000 0.896 365 Q HN 0.365 nan 8.270 nan 0.000 0.428 366 E N 0.920 121.135 120.200 0.026 0.000 2.204 366 E HA -0.151 4.203 4.350 0.006 0.000 0.195 366 E C 1.191 177.805 176.600 0.023 0.000 0.990 366 E CA 0.919 57.326 56.400 0.013 0.000 0.821 366 E CB -0.058 29.638 29.700 -0.007 0.000 0.750 366 E HN 0.334 nan 8.360 nan 0.000 0.477 367 D N 0.140 120.566 120.400 0.043 0.000 2.323 367 D HA -0.029 4.614 4.640 0.006 0.000 0.209 367 D C -0.035 176.302 176.300 0.061 0.000 0.973 367 D CA 0.193 54.228 54.000 0.058 0.000 0.874 367 D CB -0.191 40.669 40.800 0.101 0.000 0.930 367 D HN 0.179 nan 8.370 nan 0.000 0.521 368 N N 0.523 119.261 118.700 0.063 0.000 2.780 368 N HA -0.177 4.567 4.740 0.006 0.000 0.248 368 N C -0.868 174.672 175.510 0.050 0.000 1.102 368 N CA 0.438 53.516 53.050 0.048 0.000 0.697 368 N CB -0.670 37.836 38.487 0.031 0.000 1.028 368 N HN 0.044 nan 8.380 nan 0.000 0.554 369 D N 0.137 120.585 120.400 0.081 0.000 2.564 369 D HA 0.477 5.121 4.640 0.006 0.000 0.226 369 D C 1.125 177.423 176.300 -0.003 0.000 1.149 369 D CA 0.323 54.353 54.000 0.050 0.000 0.994 369 D CB 0.150 41.026 40.800 0.127 0.000 1.029 369 D HN 0.369 nan 8.370 nan 0.000 0.517 370 A N 3.294 126.111 122.820 -0.005 0.000 1.892 370 A HA -0.205 4.119 4.320 0.006 0.000 0.218 370 A C 2.109 179.662 177.584 -0.051 0.000 1.188 370 A CA 1.185 53.214 52.037 -0.013 0.000 0.631 370 A CB -0.600 18.397 19.000 -0.005 0.000 0.822 370 A HN 0.602 nan 8.150 nan 0.000 0.447 371 L N -1.459 119.719 121.223 -0.075 0.000 2.017 371 L HA -0.192 4.152 4.340 0.006 0.000 0.208 371 L C 2.495 179.258 176.870 -0.178 0.000 1.073 371 L CA 1.859 56.639 54.840 -0.100 0.000 0.745 371 L CB -0.212 41.794 42.059 -0.088 0.000 0.894 371 L HN 0.295 nan 8.230 nan 0.000 0.432 372 M N -0.625 118.780 119.600 -0.326 0.000 2.254 372 M HA -0.072 4.411 4.480 0.006 0.000 0.265 372 M C 2.425 178.396 176.300 -0.547 0.000 1.066 372 M CA 1.528 56.446 55.300 -0.637 0.000 1.123 372 M CB -1.457 30.343 32.600 -1.333 0.000 1.388 372 M HN 0.467 nan 8.290 nan 0.000 0.425 373 A N -0.775 121.877 122.820 -0.281 0.000 1.902 373 A HA -0.153 4.171 4.320 0.006 0.000 0.217 373 A C 2.386 179.982 177.584 0.019 0.000 1.181 373 A CA 2.329 54.366 52.037 0.001 0.000 0.623 373 A CB -1.128 17.917 19.000 0.076 0.000 0.818 373 A HN 0.430 nan 8.150 nan 0.000 0.443 374 T N -1.055 113.494 114.554 -0.009 0.000 2.904 374 T HA -0.105 4.249 4.350 0.006 0.000 0.267 374 T C 1.893 176.614 174.700 0.034 0.000 1.059 374 T CA 1.745 63.868 62.100 0.038 0.000 1.137 374 T CB -0.203 68.681 68.868 0.028 0.000 0.879 374 T HN 0.594 nan 8.240 nan 0.000 0.467 375 E N 0.419 120.599 120.200 -0.033 0.000 2.204 375 E HA -0.055 4.299 4.350 0.006 0.000 0.194 375 E C 2.110 178.717 176.600 0.011 0.000 0.989 375 E CA 1.382 57.762 56.400 -0.034 0.000 0.824 375 E CB -0.574 29.073 29.700 -0.089 0.000 0.756 375 E HN 0.383 nan 8.360 nan 0.000 0.477 376 T N 0.769 115.343 114.554 0.033 0.000 2.821 376 T HA -0.060 4.294 4.350 0.006 0.000 0.267 376 T C 1.718 176.502 174.700 0.141 0.000 1.046 376 T CA 1.204 63.368 62.100 0.107 0.000 1.139 376 T CB -0.153 68.828 68.868 0.188 0.000 0.871 376 T HN 0.143 nan 8.240 nan 0.000 0.454 377 L N 0.358 121.687 121.223 0.176 0.000 2.072 377 L HA -0.036 4.308 4.340 0.006 0.000 0.205 377 L C 2.751 179.753 176.870 0.219 0.000 1.079 377 L CA 0.966 55.987 54.840 0.303 0.000 0.752 377 L CB -0.415 41.870 42.059 0.377 0.000 0.906 377 L HN 0.058 nan 8.230 nan 0.000 0.436 378 K N 0.507 120.987 120.400 0.133 0.000 2.147 378 K HA -0.142 4.182 4.320 0.006 0.000 0.205 378 K C 2.125 178.734 176.600 0.015 0.000 1.049 378 K CA 1.214 57.532 56.287 0.053 0.000 0.936 378 K CB -0.283 32.213 32.500 -0.007 0.000 0.722 378 K HN 0.327 nan 8.250 nan 0.000 0.446 379 R N 0.078 120.594 120.500 0.026 0.000 2.120 379 R HA -0.069 4.275 4.340 0.006 0.000 0.234 379 R C 2.265 178.560 176.300 -0.008 0.000 1.123 379 R CA 1.264 57.365 56.100 0.001 0.000 0.975 379 R CB -0.234 30.077 30.300 0.018 0.000 0.866 379 R HN 0.157 nan 8.270 nan 0.000 0.446 380 A N 0.120 122.964 122.820 0.040 0.000 1.874 380 A HA -0.160 4.163 4.320 0.006 0.000 0.214 380 A C 1.926 179.479 177.584 -0.051 0.000 1.189 380 A CA 0.761 52.829 52.037 0.051 0.000 0.615 380 A CB -0.640 18.485 19.000 0.209 0.000 0.830 380 A HN 0.400 nan 8.150 nan 0.000 0.443 381 Y N 0.890 120.970 120.300 -0.367 0.000 2.224 381 Y HA -0.152 4.402 4.550 0.007 0.000 0.289 381 Y C 2.322 178.035 175.900 -0.311 0.000 1.146 381 Y CA 1.856 59.585 58.100 -0.617 0.000 1.182 381 Y CB -0.198 37.681 38.460 -0.968 0.000 0.983 381 Y HN 0.231 nan 8.280 nan 0.000 0.524 382 R N -0.420 119.881 120.500 -0.332 0.000 2.235 382 R HA -0.003 4.341 4.340 0.006 0.000 0.213 382 R C 0.401 176.533 176.300 -0.281 0.000 1.059 382 R CA 0.872 56.769 56.100 -0.338 0.000 0.997 382 R CB -0.476 29.720 30.300 -0.174 0.000 0.884 382 R HN 0.144 nan 8.270 nan 0.000 0.462 383 T N 1.793 116.212 114.554 -0.225 0.000 2.817 383 T HA -0.040 4.313 4.350 0.006 0.000 0.295 383 T C -0.179 174.408 174.700 -0.190 0.000 0.958 383 T CA 0.005 62.003 62.100 -0.169 0.000 1.157 383 T CB 0.768 69.564 68.868 -0.121 0.000 0.898 383 T HN 0.006 nan 8.240 nan 0.000 0.536 384 D N 3.419 123.723 120.400 -0.159 0.000 2.359 384 D HA 0.089 4.733 4.640 0.006 0.000 0.250 384 D C 1.064 177.295 176.300 -0.115 0.000 1.264 384 D CA -0.663 53.251 54.000 -0.144 0.000 0.911 384 D CB 0.451 41.182 40.800 -0.116 0.000 1.056 384 D HN 0.345 nan 8.370 nan 0.000 0.499 385 V N 1.670 121.515 119.914 -0.115 0.000 3.514 385 V HA 0.161 4.285 4.120 0.006 0.000 0.301 385 V C 1.636 177.695 176.094 -0.058 0.000 1.346 385 V CA -0.035 62.211 62.300 -0.090 0.000 1.156 385 V CB 0.087 31.850 31.823 -0.100 0.000 1.029 385 V HN 0.294 nan 8.190 nan 0.000 0.428 386 E N 2.609 122.775 120.200 -0.056 0.000 2.130 386 E HA -0.106 4.247 4.350 0.006 0.000 0.196 386 E C -0.246 176.358 176.600 0.007 0.000 0.998 386 E CA 2.219 58.599 56.400 -0.032 0.000 0.806 386 E CB -1.362 28.317 29.700 -0.036 0.000 0.738 386 E HN 0.522 nan 8.360 nan 0.000 0.459 387 P HA -0.078 nan 4.420 nan 0.000 0.218 387 P C 1.177 178.605 177.300 0.214 0.000 1.149 387 P CA 1.163 64.333 63.100 0.116 0.000 0.817 387 P CB 0.007 31.775 31.700 0.114 0.000 0.785 388 I N -1.730 118.929 120.570 0.149 0.000 2.202 388 I HA -0.204 3.970 4.170 0.006 0.000 0.242 388 I C 1.924 178.096 176.117 0.092 0.000 1.091 388 I CA 1.125 62.534 61.300 0.182 0.000 1.368 388 I CB -0.653 37.384 38.000 0.062 0.000 1.058 388 I HN -0.115 nan 8.210 nan 0.000 0.410 389 L N 0.884 122.125 121.223 0.031 0.000 2.042 389 L HA -0.195 4.149 4.340 0.006 0.000 0.210 389 L C 2.686 179.561 176.870 0.009 0.000 1.076 389 L CA 2.215 57.057 54.840 0.004 0.000 0.749 389 L CB -1.174 40.869 42.059 -0.026 0.000 0.893 389 L HN 0.207 nan 8.230 nan 0.000 0.432 390 A N -0.936 121.892 122.820 0.013 0.000 1.898 390 A HA -0.211 4.112 4.320 0.006 0.000 0.216 390 A C 2.315 179.886 177.584 -0.020 0.000 1.181 390 A CA 1.592 53.630 52.037 0.001 0.000 0.620 390 A CB -0.523 18.480 19.000 0.005 0.000 0.819 390 A HN 0.385 nan 8.150 nan 0.000 0.442 391 E N 0.440 120.620 120.200 -0.033 0.000 2.110 391 E HA -0.047 4.306 4.350 0.006 0.000 0.193 391 E C 1.934 178.482 176.600 -0.087 0.000 0.988 391 E CA 1.491 57.806 56.400 -0.142 0.000 0.804 391 E CB -0.465 29.006 29.700 -0.381 0.000 0.745 391 E HN 0.457 nan 8.360 nan 0.000 0.458 392 A N 0.719 123.528 122.820 -0.019 0.000 1.902 392 A HA -0.164 4.159 4.320 0.006 0.000 0.217 392 A C 2.227 179.816 177.584 0.007 0.000 1.181 392 A CA 1.600 53.639 52.037 0.004 0.000 0.623 392 A CB -0.421 18.596 19.000 0.028 0.000 0.818 392 A HN 0.206 nan 8.150 nan 0.000 0.443 393 R N -1.113 119.390 120.500 0.005 0.000 2.075 393 R HA -0.068 4.276 4.340 0.006 0.000 0.232 393 R C 2.534 178.836 176.300 0.003 0.000 1.126 393 R CA 1.334 57.442 56.100 0.012 0.000 0.963 393 R CB -0.319 29.986 30.300 0.009 0.000 0.858 393 R HN 0.539 nan 8.270 nan 0.000 0.435 394 R N 1.193 121.682 120.500 -0.018 0.000 2.081 394 R HA -0.112 4.231 4.340 0.006 0.000 0.235 394 R C 1.986 178.272 176.300 -0.024 0.000 1.131 394 R CA 1.498 57.582 56.100 -0.027 0.000 0.960 394 R CB 0.010 30.277 30.300 -0.054 0.000 0.856 394 R HN 0.145 nan 8.270 nan 0.000 0.436 395 R N -0.635 119.845 120.500 -0.033 0.000 2.235 395 R HA -0.026 4.318 4.340 0.006 0.000 0.213 395 R C 1.334 177.638 176.300 0.006 0.000 1.059 395 R CA 1.495 57.581 56.100 -0.023 0.000 0.997 395 R CB 0.182 30.462 30.300 -0.035 0.000 0.884 395 R HN 0.349 nan 8.270 nan 0.000 0.462 396 T N -4.016 110.550 114.554 0.020 0.000 3.129 396 T HA 0.304 4.658 4.350 0.006 0.000 0.267 396 T C 1.106 175.831 174.700 0.043 0.000 1.018 396 T CA 0.237 62.360 62.100 0.039 0.000 0.903 396 T CB 1.221 70.125 68.868 0.060 0.000 1.067 396 T HN 0.292 nan 8.240 nan 0.000 0.549 397 G N 0.092 108.916 108.800 0.040 0.000 2.159 397 G HA2 -0.017 3.946 3.960 0.006 0.000 0.227 397 G HA3 -0.017 3.946 3.960 0.006 0.000 0.227 397 G C 0.435 175.371 174.900 0.060 0.000 0.986 397 G CA -0.284 44.853 45.100 0.062 0.000 0.651 397 G HN 0.986 nan 8.290 nan 0.000 0.523 398 G N -0.426 108.397 108.800 0.039 0.000 2.583 398 G HA2 0.848 4.812 3.960 0.006 0.000 0.280 398 G HA3 0.848 4.812 3.960 0.006 0.000 0.280 398 G C 0.199 175.113 174.900 0.024 0.000 1.376 398 G CA 0.225 45.344 45.100 0.032 0.000 1.043 398 G HN 1.495 nan 8.290 nan 0.000 0.538 399 A N -1.433 121.399 122.820 0.019 0.000 2.312 399 A HA 0.578 4.901 4.320 0.006 0.000 0.328 399 A C 1.141 178.729 177.584 0.006 0.000 1.158 399 A CA -0.490 51.556 52.037 0.015 0.000 0.821 399 A CB 1.650 20.665 19.000 0.024 0.000 1.170 399 A HN 0.663 nan 8.150 nan 0.000 0.490 400 V N 0.952 120.867 119.914 0.001 0.000 2.343 400 V HA -0.091 4.033 4.120 0.006 0.000 0.247 400 V C 0.765 176.860 176.094 0.000 0.000 1.051 400 V CA 2.342 64.640 62.300 -0.004 0.000 1.036 400 V CB -0.300 31.519 31.823 -0.007 0.000 0.654 400 V HN 0.874 nan 8.190 nan 0.000 0.451 401 D N -1.314 119.089 120.400 0.006 0.000 2.432 401 D HA 0.241 4.885 4.640 0.006 0.000 0.265 401 D C -1.974 174.338 176.300 0.020 0.000 1.160 401 D CA -2.021 51.985 54.000 0.009 0.000 0.911 401 D CB 1.918 42.725 40.800 0.011 0.000 1.052 401 D HN 0.065 nan 8.370 nan 0.000 0.508 402 P HA -0.180 nan 4.420 nan 0.000 0.215 402 P C 1.664 178.995 177.300 0.051 0.000 1.163 402 P CA 0.721 63.833 63.100 0.020 0.000 0.894 402 P CB 0.498 32.193 31.700 -0.010 0.000 0.791 403 V N -0.199 119.737 119.914 0.036 0.000 2.407 403 V HA -0.245 3.878 4.120 0.006 0.000 0.248 403 V C 2.458 178.628 176.094 0.126 0.000 1.055 403 V CA 2.151 64.497 62.300 0.077 0.000 1.049 403 V CB -1.751 30.092 31.823 0.033 0.000 0.662 403 V HN 0.108 nan 8.190 nan 0.000 0.455 404 A N -0.150 122.714 122.820 0.074 0.000 1.902 404 A HA -0.229 4.095 4.320 0.006 0.000 0.217 404 A C 2.407 180.030 177.584 0.065 0.000 1.181 404 A CA 2.567 54.640 52.037 0.060 0.000 0.623 404 A CB -0.947 18.074 19.000 0.034 0.000 0.818 404 A HN 0.504 nan 8.150 nan 0.000 0.443 405 T N -1.641 112.956 114.554 0.071 0.000 2.777 405 T HA -0.138 4.215 4.350 0.006 0.000 0.266 405 T C 1.791 176.544 174.700 0.088 0.000 1.040 405 T CA 1.515 63.652 62.100 0.063 0.000 1.141 405 T CB -0.445 68.457 68.868 0.056 0.000 0.868 405 T HN 0.561 nan 8.240 nan 0.000 0.444 406 Y N 2.451 122.751 120.300 0.001 0.000 2.114 406 Y HA -0.200 4.354 4.550 0.006 0.000 0.282 406 Y C 2.434 178.359 175.900 0.041 0.000 1.165 406 Y CA 1.404 59.510 58.100 0.009 0.000 1.148 406 Y CB -0.195 38.262 38.460 -0.005 0.000 0.972 406 Y HN 0.026 nan 8.280 nan 0.000 0.504 407 R N -0.213 120.297 120.500 0.016 0.000 2.092 407 R HA -0.063 4.281 4.340 0.006 0.000 0.231 407 R C 2.506 178.758 176.300 -0.079 0.000 1.119 407 R CA 0.993 57.048 56.100 -0.074 0.000 0.970 407 R CB -0.625 29.700 30.300 0.041 0.000 0.864 407 R HN 0.431 nan 8.270 nan 0.000 0.440 408 A N 1.274 124.076 122.820 -0.030 0.000 1.972 408 A HA -0.165 4.158 4.320 0.006 0.000 0.219 408 A C 2.200 179.762 177.584 -0.036 0.000 1.169 408 A CA 1.798 53.821 52.037 -0.024 0.000 0.635 408 A CB -0.430 18.568 19.000 -0.003 0.000 0.810 408 A HN 0.427 nan 8.150 nan 0.000 0.446 409 S N -1.439 114.230 115.700 -0.051 0.000 2.453 409 S HA 0.275 4.749 4.470 0.006 0.000 0.231 409 S C 1.570 176.142 174.600 -0.047 0.000 1.005 409 S CA 1.200 59.380 58.200 -0.033 0.000 0.949 409 S CB -0.714 62.481 63.200 -0.009 0.000 0.774 409 S HN 1.954 nan 8.310 nan 0.000 0.510 410 G N 0.455 109.187 108.800 -0.112 0.000 2.179 410 G HA2 -0.385 3.579 3.960 0.006 0.000 0.257 410 G HA3 -0.385 3.579 3.960 0.006 0.000 0.257 410 G C 0.207 175.044 174.900 -0.105 0.000 1.010 410 G CA 0.497 45.532 45.100 -0.110 0.000 0.736 410 G HN 0.629 nan 8.290 nan 0.000 0.513 411 Y N 0.796 120.927 120.300 -0.281 0.000 2.165 411 Y HA -0.188 4.366 4.550 0.006 0.000 0.286 411 Y C 2.749 178.572 175.900 -0.128 0.000 1.155 411 Y CA 2.723 60.709 58.100 -0.190 0.000 1.164 411 Y CB -0.162 38.184 38.460 -0.189 0.000 0.978 411 Y HN 0.346 nan 8.280 nan 0.000 0.513 412 R N 0.875 121.274 120.500 -0.168 0.000 2.081 412 R HA -0.104 4.239 4.340 0.006 0.000 0.235 412 R C 2.278 178.502 176.300 -0.126 0.000 1.131 412 R CA 1.734 57.781 56.100 -0.088 0.000 0.960 412 R CB -1.205 29.116 30.300 0.036 0.000 0.856 412 R HN 0.385 nan 8.270 nan 0.000 0.436 413 A N 0.932 123.683 122.820 -0.114 0.000 1.933 413 A HA -0.169 4.155 4.320 0.006 0.000 0.218 413 A C 2.269 179.788 177.584 -0.109 0.000 1.175 413 A CA 1.611 53.597 52.037 -0.085 0.000 0.628 413 A CB -0.659 18.302 19.000 -0.066 0.000 0.814 413 A HN 0.443 nan 8.150 nan 0.000 0.444 414 R N 0.278 120.683 120.500 -0.158 0.000 2.070 414 R HA -0.124 4.219 4.340 0.006 0.000 0.233 414 R C 2.043 178.221 176.300 -0.202 0.000 1.137 414 R CA 2.320 58.319 56.100 -0.168 0.000 0.945 414 R CB -0.635 29.553 30.300 -0.186 0.000 0.845 414 R HN 0.495 nan 8.270 nan 0.000 0.430 415 V N -1.359 118.357 119.914 -0.330 0.000 2.626 415 V HA 0.036 4.159 4.120 0.006 0.000 0.252 415 V C 2.381 178.400 176.094 -0.125 0.000 1.067 415 V CA 1.466 63.610 62.300 -0.259 0.000 1.081 415 V CB -0.969 30.641 31.823 -0.354 0.000 0.686 415 V HN 0.385 nan 8.190 nan 0.000 0.468 416 A N 0.871 123.628 122.820 -0.106 0.000 1.933 416 A HA 0.104 4.428 4.320 0.006 0.000 0.218 416 A C 2.439 179.999 177.584 -0.039 0.000 1.175 416 A CA 2.137 54.144 52.037 -0.050 0.000 0.628 416 A CB -0.909 18.069 19.000 -0.037 0.000 0.814 416 A HN 0.921 nan 8.150 nan 0.000 0.444 417 A N -0.321 122.468 122.820 -0.051 0.000 2.014 417 A HA -0.050 4.274 4.320 0.006 0.000 0.218 417 A C 1.844 179.410 177.584 -0.029 0.000 1.163 417 A CA 1.351 53.367 52.037 -0.035 0.000 0.652 417 A CB -0.312 18.666 19.000 -0.038 0.000 0.808 417 A HN 0.639 nan 8.150 nan 0.000 0.449 418 E N -0.431 119.746 120.200 -0.039 0.000 2.250 418 E HA 0.016 4.370 4.350 0.006 0.000 0.192 418 E C 0.422 177.016 176.600 -0.011 0.000 0.986 418 E CA 0.110 56.494 56.400 -0.025 0.000 0.849 418 E CB 0.134 29.814 29.700 -0.033 0.000 0.797 418 E HN 0.478 nan 8.360 nan 0.000 0.482 419 R N 1.962 122.455 120.500 -0.013 0.000 2.536 419 R HA 0.269 4.612 4.340 0.006 0.000 0.279 419 R C -2.320 173.985 176.300 0.008 0.000 1.001 419 R CA -2.022 54.080 56.100 0.004 0.000 1.027 419 R CB 0.383 30.688 30.300 0.008 0.000 1.096 419 R HN -0.030 nan 8.270 nan 0.000 0.502 420 P HA 0.009 nan 4.420 nan 0.000 0.269 420 P C -0.710 176.600 177.300 0.017 0.000 1.209 420 P CA -0.118 62.991 63.100 0.016 0.000 0.776 420 P CB 0.693 32.404 31.700 0.020 0.000 0.876 421 A N 2.931 125.761 122.820 0.016 0.000 2.406 421 A HA 0.363 4.686 4.320 0.006 0.000 0.243 421 A C 0.601 178.198 177.584 0.022 0.000 1.082 421 A CA 0.082 52.130 52.037 0.019 0.000 0.786 421 A CB -0.269 18.742 19.000 0.018 0.000 1.029 421 A HN 0.572 nan 8.150 nan 0.000 0.495 422 S N -1.520 114.197 115.700 0.027 0.000 2.747 422 S HA 0.700 5.174 4.470 0.006 0.000 0.300 422 S C -0.392 174.226 174.600 0.030 0.000 1.121 422 S CA -0.028 58.189 58.200 0.028 0.000 0.995 422 S CB 1.610 64.830 63.200 0.033 0.000 1.113 422 S HN 1.552 nan 8.310 nan 0.000 0.547 423 V N -1.027 118.901 119.914 0.024 0.000 2.686 423 V HA 0.944 5.067 4.120 0.006 0.000 0.306 423 V C -0.210 175.891 176.094 0.013 0.000 1.065 423 V CA -1.186 61.129 62.300 0.024 0.000 0.894 423 V CB 0.874 32.708 31.823 0.017 0.000 1.004 423 V HN 0.986 nan 8.190 nan 0.000 0.424 424 A N 2.905 125.739 122.820 0.024 0.000 2.304 424 A HA 1.016 5.340 4.320 0.006 0.000 0.271 424 A C 0.694 178.245 177.584 -0.056 0.000 1.091 424 A CA 0.377 52.402 52.037 -0.021 0.000 0.812 424 A CB 0.826 19.860 19.000 0.058 0.000 1.056 424 A HN 2.414 nan 8.150 nan 0.000 0.489 425 G N -1.079 107.638 108.800 -0.138 0.000 2.494 425 G HA2 0.586 4.550 3.960 0.006 0.000 0.308 425 G HA3 0.586 4.550 3.960 0.006 0.000 0.308 425 G C 0.070 174.882 174.900 -0.146 0.000 1.263 425 G CA 0.062 45.100 45.100 -0.103 0.000 0.840 425 G HN 1.362 nan 8.290 nan 0.000 0.479 426 G N -1.478 107.274 108.800 -0.080 0.000 2.631 426 G HA2 0.489 4.452 3.960 0.006 0.000 0.271 426 G HA3 0.489 4.452 3.960 0.006 0.000 0.271 426 G C 0.929 175.781 174.900 -0.080 0.000 1.302 426 G CA 0.604 45.666 45.100 -0.064 0.000 1.002 426 G HN 1.641 nan 8.290 nan 0.000 0.519 427 G N -2.589 106.174 108.800 -0.061 0.000 3.441 427 G HA2 0.482 4.445 3.960 0.006 0.000 0.263 427 G HA3 0.482 4.445 3.960 0.006 0.000 0.263 427 G C 0.907 175.775 174.900 -0.053 0.000 1.014 427 G CA 0.732 45.793 45.100 -0.064 0.000 0.833 427 G HN 2.025 nan 8.290 nan 0.000 0.514 428 G N 0.480 109.253 108.800 -0.044 0.000 2.163 428 G HA2 -0.274 3.689 3.960 0.006 0.000 0.213 428 G HA3 -0.274 3.689 3.960 0.006 0.000 0.213 428 G C 1.146 176.020 174.900 -0.043 0.000 0.991 428 G CA 0.317 45.400 45.100 -0.029 0.000 0.653 428 G HN 0.603 nan 8.290 nan 0.000 0.518 429 I N 0.584 121.104 120.570 -0.083 0.000 2.361 429 I HA 0.121 4.294 4.170 0.006 0.000 0.251 429 I C 1.119 177.213 176.117 -0.039 0.000 1.133 429 I CA 1.535 62.770 61.300 -0.110 0.000 1.413 429 I CB -0.072 37.806 38.000 -0.202 0.000 1.073 429 I HN 0.420 nan 8.210 nan 0.000 0.424 430 I N -2.074 118.486 120.570 -0.016 0.000 3.191 430 I HA 0.594 4.767 4.170 0.006 0.000 0.313 430 I C 0.221 176.342 176.117 0.006 0.000 1.193 430 I CA -0.622 60.681 61.300 0.005 0.000 0.968 430 I CB 0.610 38.620 38.000 0.017 0.000 1.262 430 I HN -0.081 nan 8.210 nan 0.000 0.456 431 G N 1.374 110.181 108.800 0.012 0.000 2.543 431 G HA2 0.475 4.439 3.960 0.006 0.000 0.290 431 G HA3 0.475 4.439 3.960 0.006 0.000 0.290 431 G C -0.161 174.745 174.900 0.011 0.000 1.310 431 G CA -0.423 44.684 45.100 0.011 0.000 1.025 431 G HN 0.800 nan 8.290 nan 0.000 0.502 432 S N 0.000 115.706 115.700 0.010 0.000 2.498 432 S HA 0.000 4.474 4.470 0.006 0.000 0.327 432 S CA 0.000 58.206 58.200 0.010 0.000 1.107 432 S CB 0.000 63.205 63.200 0.009 0.000 0.593 432 S HN 0.000 nan 8.310 nan 0.000 0.517