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 1on9_1_F DATA FIRST_RESID 9 DATA SEQUENCE LASTMEGRVE QLAEQRQVIE AGGGERRVEK QHSQGKQTAR ERLNNLLDPH DATA SEQUENCE SFDEVGAFRK HRTTLFGMDK AVVPADGVVT GRGTILGRPV HAASQDFTVM DATA SEQUENCE GGSAGETQST KVVETMEQAL LTGTPFLFFY DSGGARIQEG IDSLSGYGKM DATA SEQUENCE FFANVKLSGV VPQIAIIAGP CAGGASYSPA LTDFIIMTKK AHMFITGPQV DATA SEQUENCE IKSVTGEDVT ADELGGAEAH MAISGNIHFV AEDDDAAELI AKKLLSFLPQ DATA SEQUENCE NNTEEASFVN PNNDVSPNTE LRDIVPIDGK KGYDVRDVIA KIVDWGDYLE DATA SEQUENCE VKAGYATNLV TAFARVNGRS VGIVANQPSV MSGCLDINAS DKAAEFVNFC DATA SEQUENCE DSFNIPLVQL VDVPGFLPGV QQEYGGIIRH GAKMLYAYSE ATVPKITVVL DATA SEQUENCE RKAYGGSYLA MCNRDLGADA VYAWPSAEIA VMGAEGAANV IFRKEIKAAD DATA SEQUENCE DPDAMRAEKI EEYQNAFNTP YVAAARGQVD DVIDPADTRR KIASALEMYA DATA SEQUENCE TKRQTRPAKK HGNFPC 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 9 L HA 0.000 nan 4.340 nan 0.000 0.249 9 L C 0.000 176.857 176.870 -0.021 0.000 1.165 9 L CA 0.000 54.823 54.840 -0.028 0.000 0.813 9 L CB 0.000 42.038 42.059 -0.035 0.000 0.961 10 A N 1.047 123.855 122.820 -0.019 0.000 2.482 10 A HA 0.217 4.538 4.320 0.001 0.000 0.249 10 A C 1.313 178.888 177.584 -0.014 0.000 1.114 10 A CA 0.983 53.012 52.037 -0.014 0.000 0.797 10 A CB 0.337 19.330 19.000 -0.012 0.000 1.067 10 A HN 0.859 nan 8.150 nan 0.000 0.514 11 S N -1.573 114.120 115.700 -0.011 0.000 2.458 11 S HA 0.067 4.537 4.470 0.001 0.000 0.223 11 S C 0.932 175.525 174.600 -0.011 0.000 1.019 11 S CA 1.204 59.398 58.200 -0.011 0.000 0.937 11 S CB -0.499 62.696 63.200 -0.009 0.000 0.788 11 S HN 1.282 nan 8.310 nan 0.000 0.511 12 T N -1.298 113.249 114.554 -0.011 0.000 2.940 12 T HA 0.516 4.866 4.350 0.001 0.000 0.288 12 T C 0.754 175.447 174.700 -0.012 0.000 1.033 12 T CA -0.656 61.437 62.100 -0.011 0.000 1.033 12 T CB 1.288 70.151 68.868 -0.008 0.000 1.079 12 T HN 0.056 nan 8.240 nan 0.000 0.496 13 M N 0.815 120.408 119.600 -0.013 0.000 2.117 13 M HA 0.023 4.504 4.480 0.001 0.000 0.262 13 M C 1.852 178.144 176.300 -0.012 0.000 1.065 13 M CA 1.806 57.097 55.300 -0.014 0.000 1.114 13 M CB -1.035 31.557 32.600 -0.014 0.000 1.361 13 M HN 0.813 nan 8.290 nan 0.000 0.408 14 E N -0.349 119.846 120.200 -0.009 0.000 2.085 14 E HA -0.087 4.263 4.350 0.001 0.000 0.194 14 E C 1.996 178.593 176.600 -0.006 0.000 0.994 14 E CA 1.614 58.010 56.400 -0.007 0.000 0.801 14 E CB -0.948 28.749 29.700 -0.005 0.000 0.743 14 E HN 0.678 nan 8.360 nan 0.000 0.453 15 G N 0.284 109.080 108.800 -0.007 0.000 2.408 15 G HA2 -0.252 3.709 3.960 0.001 0.000 0.217 15 G HA3 -0.252 3.709 3.960 0.001 0.000 0.217 15 G C 1.470 176.365 174.900 -0.008 0.000 1.150 15 G CA 0.427 45.523 45.100 -0.006 0.000 0.776 15 G HN 0.105 nan 8.290 nan 0.000 0.542 16 R N -0.168 120.324 120.500 -0.013 0.000 2.092 16 R HA -0.004 4.337 4.340 0.001 0.000 0.231 16 R C 2.601 178.891 176.300 -0.017 0.000 1.119 16 R CA 0.983 57.071 56.100 -0.020 0.000 0.970 16 R CB -0.467 29.816 30.300 -0.028 0.000 0.864 16 R HN 0.303 nan 8.270 nan 0.000 0.440 17 V N 1.370 121.278 119.914 -0.011 0.000 2.343 17 V HA -0.227 3.893 4.120 0.001 0.000 0.247 17 V C 1.949 178.048 176.094 0.008 0.000 1.051 17 V CA 1.822 64.120 62.300 -0.003 0.000 1.036 17 V CB -0.396 31.426 31.823 -0.002 0.000 0.654 17 V HN 0.342 nan 8.190 nan 0.000 0.451 18 E N -0.337 119.867 120.200 0.007 0.000 2.110 18 E HA -0.289 4.061 4.350 0.001 0.000 0.193 18 E C 2.274 178.885 176.600 0.018 0.000 0.988 18 E CA 1.372 57.779 56.400 0.013 0.000 0.804 18 E CB -0.147 29.558 29.700 0.008 0.000 0.745 18 E HN 0.642 nan 8.360 nan 0.000 0.458 19 Q N 0.632 120.439 119.800 0.010 0.000 2.050 19 Q HA -0.203 4.137 4.340 0.001 0.000 0.202 19 Q C 2.303 178.318 176.000 0.026 0.000 0.980 19 Q CA 1.084 56.894 55.803 0.012 0.000 0.840 19 Q CB -0.060 28.675 28.738 -0.005 0.000 0.898 19 Q HN 0.235 nan 8.270 nan 0.000 0.424 20 L N 0.762 121.995 121.223 0.016 0.000 2.012 20 L HA -0.130 4.211 4.340 0.001 0.000 0.210 20 L C 2.236 179.174 176.870 0.112 0.000 1.073 20 L CA 2.327 57.191 54.840 0.040 0.000 0.748 20 L CB -0.962 41.103 42.059 0.011 0.000 0.891 20 L HN 0.261 nan 8.230 nan 0.000 0.431 21 A N -0.817 122.048 122.820 0.075 0.000 1.908 21 A HA -0.253 4.067 4.320 0.001 0.000 0.218 21 A C 2.169 179.800 177.584 0.079 0.000 1.181 21 A CA 1.971 54.053 52.037 0.075 0.000 0.627 21 A CB -0.667 18.361 19.000 0.046 0.000 0.818 21 A HN 0.647 nan 8.150 nan 0.000 0.445 22 E N -0.513 119.727 120.200 0.068 0.000 2.051 22 E HA -0.196 4.154 4.350 0.001 0.000 0.192 22 E C 2.347 179.000 176.600 0.088 0.000 0.991 22 E CA 1.217 57.654 56.400 0.062 0.000 0.799 22 E CB -0.180 29.548 29.700 0.046 0.000 0.748 22 E HN 0.614 nan 8.360 nan 0.000 0.449 23 Q N 0.454 120.333 119.800 0.132 0.000 2.061 23 Q HA -0.196 4.145 4.340 0.001 0.000 0.204 23 Q C 2.217 178.347 176.000 0.217 0.000 0.984 23 Q CA 1.146 57.077 55.803 0.214 0.000 0.846 23 Q CB -0.388 28.538 28.738 0.313 0.000 0.902 23 Q HN 0.223 nan 8.270 nan 0.000 0.421 24 R N 0.485 121.120 120.500 0.226 0.000 2.083 24 R HA -0.158 4.182 4.340 0.001 0.000 0.237 24 R C 2.240 178.536 176.300 -0.006 0.000 1.137 24 R CA 1.255 57.387 56.100 0.054 0.000 0.951 24 R CB 0.142 30.507 30.300 0.108 0.000 0.851 24 R HN 0.225 nan 8.270 nan 0.000 0.434 25 Q N -0.008 119.812 119.800 0.033 0.000 2.096 25 Q HA -0.133 4.207 4.340 0.001 0.000 0.204 25 Q C 2.248 178.251 176.000 0.006 0.000 0.982 25 Q CA 1.453 57.266 55.803 0.018 0.000 0.850 25 Q CB -0.459 28.296 28.738 0.028 0.000 0.901 25 Q HN 0.266 nan 8.270 nan 0.000 0.422 26 V N 1.330 121.255 119.914 0.018 0.000 2.295 26 V HA -0.241 3.880 4.120 0.001 0.000 0.246 26 V C 2.359 178.444 176.094 -0.015 0.000 1.049 26 V CA 1.329 63.637 62.300 0.013 0.000 1.024 26 V CB -0.544 31.302 31.823 0.038 0.000 0.648 26 V HN 0.240 nan 8.190 nan 0.000 0.447 27 I N 0.292 120.832 120.570 -0.051 0.000 2.142 27 I HA -0.211 3.959 4.170 0.001 0.000 0.240 27 I C 2.508 178.576 176.117 -0.081 0.000 1.078 27 I CA 1.647 62.885 61.300 -0.104 0.000 1.343 27 I CB -1.349 36.489 38.000 -0.269 0.000 1.046 27 I HN 0.463 nan 8.210 nan 0.000 0.405 28 E N 0.780 120.936 120.200 -0.073 0.000 2.401 28 E HA -0.132 4.218 4.350 0.001 0.000 0.199 28 E C 2.038 178.620 176.600 -0.030 0.000 1.023 28 E CA 0.906 57.280 56.400 -0.043 0.000 0.859 28 E CB -0.078 29.608 29.700 -0.023 0.000 0.780 28 E HN 0.476 nan 8.360 nan 0.000 0.523 29 A N 1.090 123.894 122.820 -0.027 0.000 2.167 29 A HA 0.183 4.504 4.320 0.001 0.000 0.214 29 A C 1.570 179.136 177.584 -0.030 0.000 1.151 29 A CA 0.920 52.945 52.037 -0.021 0.000 0.735 29 A CB -0.560 18.433 19.000 -0.012 0.000 0.802 29 A HN 0.324 nan 8.150 nan 0.000 0.467 30 G N -0.743 108.036 108.800 -0.034 0.000 2.611 30 G HA2 -0.204 3.757 3.960 0.001 0.000 0.301 30 G HA3 -0.204 3.757 3.960 0.001 0.000 0.301 30 G C 1.222 176.100 174.900 -0.037 0.000 1.233 30 G CA 0.352 45.429 45.100 -0.038 0.000 0.993 30 G HN 1.366 nan 8.290 nan 0.000 0.553 31 G N 0.700 109.473 108.800 -0.045 0.000 2.882 31 G HA2 0.535 4.495 3.960 0.001 0.000 0.206 31 G HA3 0.535 4.495 3.960 0.001 0.000 0.206 31 G C 1.343 176.221 174.900 -0.036 0.000 1.155 31 G CA 1.534 46.605 45.100 -0.048 0.000 0.800 31 G HN 2.556 nan 8.290 nan 0.000 0.524 32 G N -0.470 108.312 108.800 -0.030 0.000 2.690 32 G HA2 -0.126 3.834 3.960 0.001 0.000 0.686 32 G HA3 -0.126 3.834 3.960 0.001 0.000 0.686 32 G C 0.290 175.175 174.900 -0.024 0.000 1.277 32 G CA 0.274 45.361 45.100 -0.022 0.000 0.799 32 G HN 0.247 nan 8.290 nan 0.000 0.613 33 E N 0.126 120.317 120.200 -0.014 0.000 2.136 33 E HA -0.250 4.101 4.350 0.001 0.000 0.202 33 E C 2.476 179.069 176.600 -0.011 0.000 1.019 33 E CA 2.583 58.977 56.400 -0.009 0.000 0.819 33 E CB -0.123 29.579 29.700 0.004 0.000 0.739 33 E HN 0.653 nan 8.360 nan 0.000 0.458 34 R N -0.300 120.196 120.500 -0.007 0.000 2.073 34 R HA -0.123 4.218 4.340 0.001 0.000 0.234 34 R C 2.230 178.525 176.300 -0.007 0.000 1.134 34 R CA 1.446 57.545 56.100 -0.002 0.000 0.952 34 R CB -0.122 30.179 30.300 0.001 0.000 0.850 34 R HN 0.073 nan 8.270 nan 0.000 0.433 35 R N 0.378 120.868 120.500 -0.016 0.000 2.081 35 R HA -0.079 4.261 4.340 0.001 0.000 0.235 35 R C 2.353 178.630 176.300 -0.039 0.000 1.131 35 R CA 1.334 57.426 56.100 -0.012 0.000 0.960 35 R CB -0.900 29.384 30.300 -0.026 0.000 0.856 35 R HN 0.198 nan 8.270 nan 0.000 0.436 36 V N 1.677 121.540 119.914 -0.085 0.000 2.343 36 V HA -0.227 3.894 4.120 0.001 0.000 0.247 36 V C 2.223 178.158 176.094 -0.265 0.000 1.051 36 V CA 1.818 63.993 62.300 -0.209 0.000 1.036 36 V CB -0.422 31.290 31.823 -0.184 0.000 0.654 36 V HN 0.362 nan 8.190 nan 0.000 0.451 37 E N -0.329 119.822 120.200 -0.083 0.000 2.106 37 E HA -0.240 4.111 4.350 0.001 0.000 0.192 37 E C 2.287 178.904 176.600 0.029 0.000 0.984 37 E CA 1.166 57.577 56.400 0.018 0.000 0.806 37 E CB -0.117 29.610 29.700 0.045 0.000 0.750 37 E HN 0.519 nan 8.360 nan 0.000 0.458 38 K N 1.013 121.420 120.400 0.011 0.000 2.026 38 K HA -0.276 4.045 4.320 0.001 0.000 0.208 38 K C 2.287 178.909 176.600 0.036 0.000 1.048 38 K CA 1.621 57.929 56.287 0.036 0.000 0.929 38 K CB 0.019 32.549 32.500 0.050 0.000 0.713 38 K HN -0.079 nan 8.250 nan 0.000 0.439 39 Q N 0.427 120.228 119.800 0.001 0.000 2.045 39 Q HA -0.222 4.119 4.340 0.001 0.000 0.206 39 Q C 1.681 177.702 176.000 0.036 0.000 0.991 39 Q CA 2.264 58.061 55.803 -0.009 0.000 0.851 39 Q CB -0.315 28.375 28.738 -0.080 0.000 0.911 39 Q HN 0.604 nan 8.270 nan 0.000 0.418 40 H N -0.911 118.164 119.070 0.010 0.000 2.353 40 H HA -0.086 4.470 4.556 0.001 0.000 0.300 40 H C 2.222 177.549 175.328 -0.001 0.000 1.090 40 H CA 1.151 57.198 56.048 -0.002 0.000 1.327 40 H CB 0.025 29.785 29.762 -0.003 0.000 1.383 40 H HN 0.502 nan 8.280 nan 0.000 0.508 41 S N 0.684 116.464 115.700 0.134 0.000 2.447 41 S HA -0.161 4.310 4.470 0.001 0.000 0.233 41 S C 1.646 176.276 174.600 0.051 0.000 1.006 41 S CA 0.906 59.150 58.200 0.074 0.000 0.957 41 S CB -0.067 63.166 63.200 0.056 0.000 0.773 41 S HN 0.498 nan 8.310 nan 0.000 0.507 42 Q N 0.712 120.542 119.800 0.049 0.000 2.403 42 Q HA 0.300 4.640 4.340 0.001 0.000 0.203 42 Q C 1.011 177.026 176.000 0.025 0.000 0.932 42 Q CA 0.178 55.996 55.803 0.026 0.000 0.945 42 Q CB 0.016 28.756 28.738 0.002 0.000 1.045 42 Q HN 0.776 nan 8.270 nan 0.000 0.511 43 G N 1.811 110.636 108.800 0.042 0.000 2.182 43 G HA2 -0.273 3.687 3.960 0.001 0.000 0.248 43 G HA3 -0.273 3.687 3.960 0.001 0.000 0.248 43 G C -0.367 174.553 174.900 0.033 0.000 1.042 43 G CA 0.110 45.228 45.100 0.030 0.000 0.775 43 G HN 0.205 nan 8.290 nan 0.000 0.501 44 K N -0.420 120.017 120.400 0.062 0.000 2.318 44 K HA 0.560 4.880 4.320 0.001 0.000 0.249 44 K C 0.360 177.037 176.600 0.128 0.000 0.942 44 K CA -0.806 55.512 56.287 0.052 0.000 0.808 44 K CB 1.772 34.276 32.500 0.007 0.000 1.189 44 K HN 0.303 nan 8.250 nan 0.000 0.428 45 Q N 0.545 120.382 119.800 0.063 0.000 2.249 45 Q HA 0.211 4.552 4.340 0.001 0.000 0.226 45 Q C 0.148 176.151 176.000 0.005 0.000 0.983 45 Q CA -0.576 55.277 55.803 0.084 0.000 0.930 45 Q CB 1.130 29.847 28.738 -0.036 0.000 1.193 45 Q HN 0.696 nan 8.270 nan 0.000 0.508 46 T N -2.559 111.988 114.554 -0.012 0.000 2.788 46 T HA 0.396 4.746 4.350 0.001 0.000 0.280 46 T C 1.069 175.691 174.700 -0.130 0.000 0.984 46 T CA -0.203 61.847 62.100 -0.083 0.000 0.972 46 T CB 0.863 69.674 68.868 -0.095 0.000 1.039 46 T HN 0.642 nan 8.240 nan 0.000 0.530 47 A N 0.668 123.422 122.820 -0.110 0.000 1.908 47 A HA -0.091 4.229 4.320 0.001 0.000 0.218 47 A C 2.548 179.994 177.584 -0.229 0.000 1.181 47 A CA 1.399 53.344 52.037 -0.153 0.000 0.627 47 A CB -0.765 18.199 19.000 -0.061 0.000 0.818 47 A HN 0.882 nan 8.150 nan 0.000 0.445 48 R N -0.739 119.660 120.500 -0.169 0.000 2.153 48 R HA -0.025 4.315 4.340 0.001 0.000 0.218 48 R C 2.041 178.220 176.300 -0.202 0.000 1.072 48 R CA 1.212 57.200 56.100 -0.187 0.000 0.990 48 R CB -0.174 30.066 30.300 -0.100 0.000 0.889 48 R HN 0.668 nan 8.270 nan 0.000 0.452 49 E N 0.308 120.410 120.200 -0.163 0.000 2.106 49 E HA -0.139 4.212 4.350 0.001 0.000 0.192 49 E C 1.988 178.447 176.600 -0.235 0.000 0.984 49 E CA 0.889 57.204 56.400 -0.142 0.000 0.806 49 E CB 0.115 29.779 29.700 -0.059 0.000 0.750 49 E HN 0.220 nan 8.360 nan 0.000 0.458 50 R N 0.409 120.679 120.500 -0.383 0.000 2.083 50 R HA -0.123 4.217 4.340 0.001 0.000 0.237 50 R C 2.424 178.395 176.300 -0.547 0.000 1.137 50 R CA 1.140 56.840 56.100 -0.667 0.000 0.951 50 R CB -0.313 29.168 30.300 -1.366 0.000 0.851 50 R HN 0.166 nan 8.270 nan 0.000 0.434 51 L N 0.701 121.635 121.223 -0.482 0.000 2.056 51 L HA -0.171 4.169 4.340 0.001 0.000 0.207 51 L C 1.816 178.529 176.870 -0.261 0.000 1.078 51 L CA 0.975 55.603 54.840 -0.354 0.000 0.749 51 L CB -0.489 41.206 42.059 -0.607 0.000 0.901 51 L HN 0.235 nan 8.230 nan 0.000 0.433 52 N N 0.046 118.604 118.700 -0.237 0.000 2.244 52 N HA -0.138 4.602 4.740 0.001 0.000 0.183 52 N C 1.511 176.949 175.510 -0.121 0.000 1.016 52 N CA 0.949 53.908 53.050 -0.152 0.000 0.866 52 N CB -0.349 38.067 38.487 -0.119 0.000 0.980 52 N HN 0.353 nan 8.380 nan 0.000 0.430 53 N N 0.543 119.170 118.700 -0.121 0.000 2.376 53 N HA -0.020 4.720 4.740 0.001 0.000 0.177 53 N C 1.697 177.180 175.510 -0.045 0.000 1.024 53 N CA 0.134 53.135 53.050 -0.082 0.000 0.893 53 N CB 0.044 38.482 38.487 -0.081 0.000 0.980 53 N HN 0.193 nan 8.380 nan 0.000 0.439 54 L N 0.769 121.979 121.223 -0.021 0.000 2.102 54 L HA 0.183 4.523 4.340 0.001 0.000 0.202 54 L C 0.539 177.407 176.870 -0.003 0.000 1.076 54 L CA 0.934 55.796 54.840 0.038 0.000 0.761 54 L CB -0.222 41.940 42.059 0.171 0.000 0.921 54 L HN -0.064 nan 8.230 nan 0.000 0.444 55 L N 0.573 121.782 121.223 -0.023 0.000 2.439 55 L HA 0.190 4.531 4.340 0.001 0.000 0.261 55 L C -0.087 176.765 176.870 -0.029 0.000 1.153 55 L CA -0.935 53.898 54.840 -0.012 0.000 0.808 55 L CB 0.055 42.122 42.059 0.013 0.000 1.126 55 L HN 0.089 nan 8.230 nan 0.000 0.460 56 D N 1.301 121.690 120.400 -0.018 0.000 2.400 56 D HA 0.107 4.747 4.640 0.001 0.000 0.238 56 D C -2.195 174.065 176.300 -0.067 0.000 1.157 56 D CA -0.887 53.093 54.000 -0.035 0.000 0.889 56 D CB 0.202 40.994 40.800 -0.013 0.000 1.199 56 D HN 0.226 nan 8.370 nan 0.000 0.436 57 P HA -0.050 nan 4.420 nan 0.000 0.261 57 P C -0.368 176.765 177.300 -0.278 0.000 1.173 57 P CA 0.617 63.515 63.100 -0.337 0.000 0.760 57 P CB 0.027 31.521 31.700 -0.344 0.000 0.783 58 H N 0.015 119.108 119.070 0.040 0.000 3.010 58 H HA -0.206 4.351 4.556 0.001 0.000 0.272 58 H C 1.208 176.567 175.328 0.053 0.000 1.151 58 H CA 0.941 57.017 56.048 0.047 0.000 1.159 58 H CB -2.070 27.708 29.762 0.026 0.000 1.295 58 H HN 0.489 nan 8.280 nan 0.000 0.344 59 S N -0.831 114.933 115.700 0.108 0.000 2.478 59 S HA -0.017 4.453 4.470 0.001 0.000 0.222 59 S C 0.651 175.331 174.600 0.132 0.000 1.008 59 S CA -0.172 58.086 58.200 0.096 0.000 0.928 59 S CB 0.178 63.416 63.200 0.063 0.000 0.781 59 S HN 0.315 nan 8.310 nan 0.000 0.518 60 F N 3.774 123.722 119.950 -0.004 0.000 2.578 60 F HA 0.324 4.852 4.527 0.001 0.000 0.381 60 F C 0.094 175.894 175.800 0.001 0.000 1.069 60 F CA -0.987 57.008 58.000 -0.008 0.000 1.231 60 F CB 0.304 39.297 39.000 -0.011 0.000 1.086 60 F HN 0.116 nan 8.300 nan 0.000 0.564 61 D N 6.088 126.099 120.400 -0.649 0.000 2.440 61 D HA 0.071 4.711 4.640 0.001 0.000 0.252 61 D C -0.777 174.968 176.300 -0.925 0.000 1.180 61 D CA -0.302 53.351 54.000 -0.577 0.000 0.894 61 D CB 0.717 41.358 40.800 -0.265 0.000 1.111 61 D HN 0.698 nan 8.370 nan 0.000 0.544 62 E N 2.098 121.681 120.200 -1.028 0.000 2.354 62 E HA 0.267 4.617 4.350 0.001 0.000 0.269 62 E C -0.944 175.499 176.600 -0.262 0.000 1.036 62 E CA -0.473 55.486 56.400 -0.735 0.000 0.876 62 E CB 1.236 30.706 29.700 -0.383 0.000 1.009 62 E HN 0.102 nan 8.360 nan 0.000 0.416 63 V N 3.738 123.581 119.914 -0.119 0.000 2.448 63 V HA 0.465 4.585 4.120 0.001 0.000 0.295 63 V C 0.705 176.807 176.094 0.013 0.000 1.025 63 V CA 0.278 62.561 62.300 -0.028 0.000 0.859 63 V CB 1.263 33.090 31.823 0.007 0.000 0.988 63 V HN 1.015 nan 8.190 nan 0.000 0.431 64 G N 4.087 112.905 108.800 0.031 0.000 2.160 64 G HA2 -0.172 3.789 3.960 0.001 0.000 0.244 64 G HA3 -0.172 3.789 3.960 0.001 0.000 0.244 64 G C 0.933 175.838 174.900 0.008 0.000 1.022 64 G CA 0.469 45.595 45.100 0.042 0.000 0.741 64 G HN 1.330 nan 8.290 nan 0.000 0.508 65 A N -0.526 122.261 122.820 -0.056 0.000 1.933 65 A HA 0.285 4.605 4.320 0.001 0.000 0.218 65 A C 1.730 179.122 177.584 -0.321 0.000 1.175 65 A CA 1.934 53.835 52.037 -0.227 0.000 0.628 65 A CB -0.322 18.436 19.000 -0.403 0.000 0.814 65 A HN 0.807 nan 8.150 nan 0.000 0.444 66 F N -0.681 119.279 119.950 0.017 0.000 2.692 66 F HA 0.267 4.794 4.527 0.001 0.000 0.303 66 F C 0.962 176.769 175.800 0.012 0.000 1.114 66 F CA -0.292 57.716 58.000 0.013 0.000 1.361 66 F CB 0.026 39.028 39.000 0.004 0.000 1.063 66 F HN 0.005 nan 8.300 nan 0.000 0.550 67 R N 2.345 122.922 120.500 0.128 0.000 2.491 67 R HA 0.267 4.607 4.340 0.001 0.000 0.283 67 R C -0.785 175.564 176.300 0.082 0.000 1.072 67 R CA 0.233 56.386 56.100 0.089 0.000 1.048 67 R CB 0.307 30.642 30.300 0.058 0.000 0.983 67 R HN 0.108 nan 8.270 nan 0.000 0.450 68 K N 3.114 123.554 120.400 0.067 0.000 2.385 68 K HA 0.261 4.582 4.320 0.001 0.000 0.248 68 K C -0.709 175.916 176.600 0.043 0.000 0.955 68 K CA -1.096 55.235 56.287 0.072 0.000 0.816 68 K CB 1.364 33.870 32.500 0.010 0.000 1.250 68 K HN 0.776 nan 8.250 nan 0.000 0.434 69 H N 1.069 120.145 119.070 0.009 0.000 2.836 69 H HA 0.140 4.697 4.556 0.001 0.000 0.368 69 H C -0.105 175.226 175.328 0.004 0.000 1.164 69 H CA 0.226 56.276 56.048 0.003 0.000 1.425 69 H CB 0.852 30.615 29.762 0.001 0.000 1.414 69 H HN 0.607 nan 8.280 nan 0.000 0.614 70 R N 0.223 120.703 120.500 -0.033 0.000 2.404 70 R HA 0.074 4.415 4.340 0.001 0.000 0.237 70 R C 0.260 176.548 176.300 -0.020 0.000 0.907 70 R CA 0.366 56.415 56.100 -0.086 0.000 1.063 70 R CB 0.401 30.679 30.300 -0.036 0.000 1.134 70 R HN 0.794 nan 8.270 nan 0.000 0.529 71 T N -0.639 113.975 114.554 0.100 0.000 2.855 71 T HA 0.050 4.401 4.350 0.001 0.000 0.314 71 T C 1.235 176.012 174.700 0.128 0.000 1.077 71 T CA 0.370 62.547 62.100 0.128 0.000 1.095 71 T CB 1.405 70.374 68.868 0.168 0.000 0.987 71 T HN 0.220 nan 8.240 nan 0.000 0.546 72 T N -1.825 112.771 114.554 0.069 0.000 3.029 72 T HA 0.266 4.616 4.350 0.001 0.000 0.256 72 T C 0.636 175.330 174.700 -0.010 0.000 0.914 72 T CA -0.522 61.598 62.100 0.034 0.000 0.880 72 T CB -0.169 68.693 68.868 -0.011 0.000 1.246 72 T HN 0.502 nan 8.240 nan 0.000 0.523 73 L N 1.759 122.961 121.223 -0.036 0.000 2.467 73 L HA 0.355 4.695 4.340 0.001 0.000 0.270 73 L C 0.109 176.936 176.870 -0.072 0.000 1.205 73 L CA -0.538 54.183 54.840 -0.197 0.000 0.828 73 L CB -0.455 41.466 42.059 -0.231 0.000 1.101 73 L HN 0.238 nan 8.230 nan 0.000 0.479 74 F N 1.521 121.483 119.950 0.020 0.000 2.943 74 F HA -0.214 4.313 4.527 0.001 0.000 0.258 74 F C 1.344 177.152 175.800 0.013 0.000 0.995 74 F CA 0.951 58.960 58.000 0.015 0.000 0.896 74 F CB -2.169 36.839 39.000 0.013 0.000 0.821 74 F HN 0.823 nan 8.300 nan 0.000 0.828 75 G N -1.770 107.083 108.800 0.089 0.000 2.199 75 G HA2 -0.370 3.591 3.960 0.001 0.000 0.254 75 G HA3 -0.370 3.591 3.960 0.001 0.000 0.254 75 G C 0.937 175.881 174.900 0.074 0.000 0.982 75 G CA 0.274 45.419 45.100 0.074 0.000 0.632 75 G HN 0.338 nan 8.290 nan 0.000 0.529 76 M N 1.674 121.329 119.600 0.093 0.000 2.296 76 M HA 0.024 4.505 4.480 0.001 0.000 0.265 76 M C 2.288 178.732 176.300 0.240 0.000 1.064 76 M CA 1.992 57.373 55.300 0.133 0.000 1.109 76 M CB -0.990 31.699 32.600 0.148 0.000 1.396 76 M HN 0.569 nan 8.290 nan 0.000 0.430 77 D N 0.243 120.715 120.400 0.120 0.000 2.218 77 D HA -0.189 4.451 4.640 0.001 0.000 0.204 77 D C 1.260 177.607 176.300 0.077 0.000 0.976 77 D CA 1.284 55.329 54.000 0.074 0.000 0.853 77 D CB -0.428 40.382 40.800 0.017 0.000 0.939 77 D HN 0.362 nan 8.370 nan 0.000 0.481 78 K N -0.286 120.162 120.400 0.080 0.000 2.358 78 K HA 0.386 4.707 4.320 0.001 0.000 0.200 78 K C 0.351 176.997 176.600 0.078 0.000 1.030 78 K CA -0.067 56.258 56.287 0.063 0.000 1.097 78 K CB 1.226 33.748 32.500 0.037 0.000 0.862 78 K HN 0.103 nan 8.250 nan 0.000 0.534 79 A N 1.596 124.481 122.820 0.108 0.000 2.409 79 A HA 0.300 4.620 4.320 0.001 0.000 0.262 79 A C 0.090 177.745 177.584 0.118 0.000 1.113 79 A CA -0.316 51.760 52.037 0.065 0.000 0.790 79 A CB 0.421 19.408 19.000 -0.021 0.000 1.046 79 A HN -0.005 nan 8.150 nan 0.000 0.496 80 V N 3.805 123.757 119.914 0.065 0.000 2.348 80 V HA 0.332 4.453 4.120 0.001 0.000 0.270 80 V C -0.276 175.839 176.094 0.035 0.000 1.037 80 V CA -0.223 62.124 62.300 0.078 0.000 0.872 80 V CB 0.986 32.837 31.823 0.046 0.000 1.002 80 V HN 0.572 nan 8.190 nan 0.000 0.464 81 V N 7.061 127.010 119.914 0.059 0.000 2.320 81 V HA 0.294 4.415 4.120 0.001 0.000 0.268 81 V C -2.480 173.632 176.094 0.030 0.000 1.021 81 V CA -1.875 60.419 62.300 -0.011 0.000 0.813 81 V CB 1.259 32.997 31.823 -0.142 0.000 1.054 81 V HN 0.694 nan 8.190 nan 0.000 0.444 82 P HA 0.079 nan 4.420 nan 0.000 0.258 82 P C 0.902 178.195 177.300 -0.012 0.000 1.172 82 P CA 1.085 64.181 63.100 -0.006 0.000 0.762 82 P CB 0.581 32.265 31.700 -0.027 0.000 0.764 83 A N 4.311 127.123 122.820 -0.014 0.000 2.799 83 A HA -0.293 4.027 4.320 0.001 0.000 0.274 83 A C 1.254 178.847 177.584 0.016 0.000 1.393 83 A CA 1.411 53.443 52.037 -0.009 0.000 0.909 83 A CB -2.585 16.398 19.000 -0.028 0.000 1.012 83 A HN 0.624 nan 8.150 nan 0.000 0.653 84 D N -4.035 116.382 120.400 0.029 0.000 2.955 84 D HA -0.054 4.587 4.640 0.001 0.000 0.226 84 D C 1.624 177.921 176.300 -0.005 0.000 1.178 84 D CA 3.182 57.194 54.000 0.020 0.000 0.808 84 D CB -1.312 39.514 40.800 0.044 0.000 1.099 84 D HN 2.433 nan 8.370 nan 0.000 0.421 85 G N -2.562 106.235 108.800 -0.005 0.000 2.157 85 G HA2 -0.103 3.858 3.960 0.001 0.000 0.239 85 G HA3 -0.103 3.858 3.960 0.001 0.000 0.239 85 G C 0.162 175.083 174.900 0.035 0.000 0.982 85 G CA 0.342 45.443 45.100 0.002 0.000 0.650 85 G HN 1.220 nan 8.290 nan 0.000 0.527 86 V N 0.133 120.066 119.914 0.032 0.000 2.808 86 V HA 0.699 4.819 4.120 0.001 0.000 0.308 86 V C -0.535 175.579 176.094 0.033 0.000 1.099 86 V CA -0.626 61.701 62.300 0.046 0.000 0.920 86 V CB 2.337 34.184 31.823 0.039 0.000 1.014 86 V HN 0.581 nan 8.190 nan 0.000 0.425 87 V N 5.820 125.758 119.914 0.039 0.000 2.370 87 V HA 0.674 4.794 4.120 0.001 0.000 0.279 87 V C 0.280 176.447 176.094 0.122 0.000 1.029 87 V CA -0.000 62.345 62.300 0.076 0.000 0.870 87 V CB 1.510 33.347 31.823 0.023 0.000 0.984 87 V HN 1.050 nan 8.190 nan 0.000 0.451 88 T N 1.476 116.153 114.554 0.204 0.000 2.893 88 T HA 0.968 5.318 4.350 0.001 0.000 0.291 88 T C -0.043 174.854 174.700 0.329 0.000 1.028 88 T CA -0.109 62.126 62.100 0.226 0.000 0.995 88 T CB 2.272 71.202 68.868 0.104 0.000 1.051 88 T HN 1.237 nan 8.240 nan 0.000 0.470 89 G N 1.319 110.337 108.800 0.364 0.000 2.335 89 G HA2 0.549 4.509 3.960 0.001 0.000 0.291 89 G HA3 0.549 4.509 3.960 0.001 0.000 0.291 89 G C -1.757 173.260 174.900 0.195 0.000 1.261 89 G CA -0.939 44.266 45.100 0.174 0.000 0.871 89 G HN 0.989 nan 8.290 nan 0.000 0.491 90 R N -0.866 119.617 120.500 -0.029 0.000 2.888 90 R HA 0.917 5.257 4.340 0.001 0.000 0.266 90 R C 0.099 176.413 176.300 0.023 0.000 1.020 90 R CA -0.416 55.598 56.100 -0.143 0.000 0.963 90 R CB 1.987 32.038 30.300 -0.415 0.000 1.197 90 R HN 1.727 nan 8.270 nan 0.000 0.481 91 G N -0.204 108.609 108.800 0.022 0.000 2.500 91 G HA2 0.483 4.443 3.960 0.001 0.000 0.299 91 G HA3 0.483 4.443 3.960 0.001 0.000 0.299 91 G C -1.372 173.546 174.900 0.028 0.000 1.242 91 G CA -0.206 44.944 45.100 0.083 0.000 0.859 91 G HN 0.842 nan 8.290 nan 0.000 0.481 92 T N -2.016 112.560 114.554 0.037 0.000 2.903 92 T HA 0.754 5.105 4.350 0.001 0.000 0.299 92 T C -0.977 173.730 174.700 0.011 0.000 1.093 92 T CA -0.642 61.468 62.100 0.017 0.000 1.002 92 T CB 1.976 70.851 68.868 0.012 0.000 1.127 92 T HN 0.607 nan 8.240 nan 0.000 0.488 93 I N 2.863 123.432 120.570 -0.000 0.000 2.439 93 I HA 0.319 4.490 4.170 0.001 0.000 0.283 93 I C -0.567 175.538 176.117 -0.021 0.000 1.023 93 I CA -0.991 60.301 61.300 -0.015 0.000 1.100 93 I CB 1.552 39.538 38.000 -0.022 0.000 1.238 93 I HN 0.651 nan 8.210 nan 0.000 0.445 94 L N 6.770 127.978 121.223 -0.025 0.000 3.678 94 L HA -0.259 4.081 4.340 0.001 0.000 0.425 94 L C 1.273 178.134 176.870 -0.016 0.000 1.240 94 L CA 1.422 56.245 54.840 -0.027 0.000 0.876 94 L CB -1.779 40.255 42.059 -0.041 0.000 1.766 94 L HN 1.078 nan 8.230 nan 0.000 0.917 95 G N -1.690 107.106 108.800 -0.007 0.000 2.234 95 G HA2 -0.354 3.606 3.960 0.001 0.000 0.260 95 G HA3 -0.354 3.606 3.960 0.001 0.000 0.260 95 G C 0.596 175.499 174.900 0.004 0.000 0.987 95 G CA 0.367 45.467 45.100 -0.000 0.000 0.625 95 G HN 0.516 nan 8.290 nan 0.000 0.532 96 R N 1.366 121.867 120.500 0.002 0.000 2.298 96 R HA 0.435 4.775 4.340 0.001 0.000 0.310 96 R C -2.599 173.711 176.300 0.015 0.000 1.068 96 R CA -1.691 54.415 56.100 0.010 0.000 0.957 96 R CB 0.736 31.041 30.300 0.007 0.000 1.003 96 R HN 0.133 nan 8.270 nan 0.000 0.454 97 P HA -0.021 nan 4.420 nan 0.000 0.267 97 P C -0.737 176.584 177.300 0.035 0.000 1.205 97 P CA -0.102 63.006 63.100 0.013 0.000 0.765 97 P CB 0.896 32.609 31.700 0.022 0.000 0.828 98 V N 0.972 120.892 119.914 0.009 0.000 3.181 98 V HA 0.636 4.757 4.120 0.001 0.000 0.308 98 V C -1.053 175.044 176.094 0.005 0.000 1.214 98 V CA -0.870 61.474 62.300 0.074 0.000 1.053 98 V CB 2.161 34.022 31.823 0.062 0.000 1.069 98 V HN 0.404 nan 8.190 nan 0.000 0.441 99 H N 0.365 119.538 119.070 0.171 0.000 2.569 99 H HA 0.966 5.522 4.556 0.001 0.000 0.357 99 H C 0.045 175.509 175.328 0.227 0.000 1.153 99 H CA 0.552 56.744 56.048 0.239 0.000 1.193 99 H CB 1.961 31.902 29.762 0.298 0.000 1.602 99 H HN 1.296 nan 8.280 nan 0.000 0.523 100 A N 1.111 124.113 122.820 0.303 0.000 2.587 100 A HA 0.876 5.196 4.320 0.001 0.000 0.293 100 A C -1.512 176.129 177.584 0.095 0.000 1.087 100 A CA -0.167 51.911 52.037 0.068 0.000 0.692 100 A CB 1.378 20.400 19.000 0.037 0.000 1.291 100 A HN 0.824 nan 8.150 nan 0.000 0.407 101 A N -0.136 122.621 122.820 -0.104 0.000 2.515 101 A HA 0.879 5.199 4.320 0.001 0.000 0.298 101 A C -0.593 177.017 177.584 0.044 0.000 1.059 101 A CA -0.077 51.861 52.037 -0.164 0.000 0.698 101 A CB 1.634 20.215 19.000 -0.698 0.000 1.289 101 A HN 1.902 nan 8.150 nan 0.000 0.404 102 S N 1.004 116.762 115.700 0.096 0.000 2.737 102 S HA 0.335 4.805 4.470 0.001 0.000 0.269 102 S C -0.958 173.745 174.600 0.172 0.000 1.150 102 S CA -0.357 57.968 58.200 0.209 0.000 1.077 102 S CB 0.615 63.821 63.200 0.010 0.000 1.075 102 S HN 0.702 nan 8.310 nan 0.000 0.476 103 Q N 2.325 122.294 119.800 0.283 0.000 2.311 103 Q HA 0.132 4.472 4.340 0.001 0.000 0.272 103 Q C -0.729 175.359 176.000 0.146 0.000 1.012 103 Q CA 0.088 56.025 55.803 0.223 0.000 0.891 103 Q CB 0.620 29.513 28.738 0.258 0.000 1.201 103 Q HN 0.527 nan 8.270 nan 0.000 0.391 104 D N 2.536 122.998 120.400 0.102 0.000 2.428 104 D HA 0.029 4.669 4.640 0.001 0.000 0.221 104 D C -0.121 176.232 176.300 0.089 0.000 1.123 104 D CA -0.318 53.724 54.000 0.070 0.000 0.869 104 D CB 0.303 41.113 40.800 0.016 0.000 1.032 104 D HN 0.475 nan 8.370 nan 0.000 0.506 105 F N 2.671 122.624 119.950 0.005 0.000 2.365 105 F HA -0.148 4.379 4.527 0.001 0.000 0.300 105 F C 2.302 178.097 175.800 -0.008 0.000 1.090 105 F CA 1.626 59.631 58.000 0.008 0.000 1.408 105 F CB 0.009 39.016 39.000 0.010 0.000 1.060 105 F HN 0.400 nan 8.300 nan 0.000 0.534 106 T N -2.321 112.220 114.554 -0.022 0.000 3.113 106 T HA 0.043 4.393 4.350 0.001 0.000 0.263 106 T C 0.607 175.219 174.700 -0.146 0.000 1.143 106 T CA 0.530 62.576 62.100 -0.090 0.000 1.090 106 T CB -0.825 68.022 68.868 -0.036 0.000 0.922 106 T HN -0.088 nan 8.240 nan 0.000 0.521 107 V N 2.727 122.553 119.914 -0.147 0.000 2.311 107 V HA 0.397 4.518 4.120 0.001 0.000 0.275 107 V C 0.460 176.451 176.094 -0.171 0.000 1.022 107 V CA -0.703 61.521 62.300 -0.127 0.000 0.830 107 V CB 0.401 32.179 31.823 -0.075 0.000 1.012 107 V HN 0.564 nan 8.190 nan 0.000 0.452 108 M N 3.700 123.191 119.600 -0.182 0.000 2.253 108 M HA -0.236 4.244 4.480 0.001 0.000 0.199 108 M C 1.267 177.414 176.300 -0.254 0.000 0.342 108 M CA 1.080 56.271 55.300 -0.181 0.000 0.417 108 M CB -1.159 31.360 32.600 -0.134 0.000 1.338 108 M HN 1.166 nan 8.290 nan 0.000 0.920 109 G N -0.673 107.837 108.800 -0.484 0.000 2.258 109 G HA2 -0.101 3.860 3.960 0.001 0.000 0.274 109 G HA3 -0.101 3.860 3.960 0.001 0.000 0.274 109 G C 0.940 175.565 174.900 -0.459 0.000 1.021 109 G CA 0.909 45.493 45.100 -0.861 0.000 0.798 109 G HN 1.892 nan 8.290 nan 0.000 0.507 110 G N -1.280 107.372 108.800 -0.247 0.000 2.203 110 G HA2 0.017 3.977 3.960 0.001 0.000 0.263 110 G HA3 0.017 3.977 3.960 0.001 0.000 0.263 110 G C 0.883 175.813 174.900 0.050 0.000 1.012 110 G CA 1.338 46.441 45.100 0.004 0.000 0.749 110 G HN 2.416 nan 8.290 nan 0.000 0.512 111 S N -0.681 115.013 115.700 -0.010 0.000 2.558 111 S HA 0.456 4.927 4.470 0.001 0.000 0.287 111 S C 0.933 175.543 174.600 0.016 0.000 1.321 111 S CA 0.303 58.519 58.200 0.027 0.000 1.048 111 S CB 1.688 64.881 63.200 -0.010 0.000 0.844 111 S HN 1.898 nan 8.310 nan 0.000 0.512 112 A N 3.275 126.103 122.820 0.014 0.000 2.899 112 A HA 0.520 4.840 4.320 0.001 0.000 0.287 112 A C 1.049 178.526 177.584 -0.178 0.000 1.715 112 A CA -0.217 51.744 52.037 -0.127 0.000 1.393 112 A CB -1.336 17.406 19.000 -0.430 0.000 1.070 112 A HN 1.201 nan 8.150 nan 0.000 0.587 113 G N 0.258 108.999 108.800 -0.098 0.000 2.594 113 G HA2 0.225 4.185 3.960 0.001 0.000 0.243 113 G HA3 0.225 4.185 3.960 0.001 0.000 0.243 113 G C 0.749 175.593 174.900 -0.094 0.000 1.229 113 G CA 0.183 45.234 45.100 -0.082 0.000 0.843 113 G HN 0.775 nan 8.290 nan 0.000 0.578 114 E N 0.313 120.477 120.200 -0.060 0.000 2.051 114 E HA -0.164 4.187 4.350 0.001 0.000 0.192 114 E C 2.295 178.875 176.600 -0.033 0.000 0.991 114 E CA 1.740 58.107 56.400 -0.054 0.000 0.799 114 E CB -0.113 29.579 29.700 -0.014 0.000 0.748 114 E HN 0.500 nan 8.360 nan 0.000 0.449 115 T N 0.963 115.520 114.554 0.005 0.000 2.867 115 T HA -0.178 4.172 4.350 0.001 0.000 0.268 115 T C 1.779 176.480 174.700 0.001 0.000 1.057 115 T CA 1.274 63.383 62.100 0.016 0.000 1.136 115 T CB -0.161 68.742 68.868 0.058 0.000 0.874 115 T HN 0.272 nan 8.240 nan 0.000 0.466 116 Q N 0.814 120.609 119.800 -0.007 0.000 2.030 116 Q HA -0.130 4.210 4.340 0.001 0.000 0.204 116 Q C 2.447 178.436 176.000 -0.019 0.000 0.986 116 Q CA 1.681 57.480 55.803 -0.007 0.000 0.843 116 Q CB -0.196 28.538 28.738 -0.007 0.000 0.904 116 Q HN 0.403 nan 8.270 nan 0.000 0.420 117 S N -0.088 115.583 115.700 -0.048 0.000 2.399 117 S HA -0.122 4.348 4.470 0.001 0.000 0.231 117 S C 1.896 176.473 174.600 -0.038 0.000 1.022 117 S CA 1.542 59.712 58.200 -0.048 0.000 0.983 117 S CB -0.313 62.812 63.200 -0.126 0.000 0.803 117 S HN 0.473 nan 8.310 nan 0.000 0.480 118 T N 1.978 116.510 114.554 -0.037 0.000 2.821 118 T HA -0.019 4.331 4.350 0.001 0.000 0.267 118 T C 1.772 176.454 174.700 -0.030 0.000 1.046 118 T CA 0.997 63.080 62.100 -0.029 0.000 1.139 118 T CB -0.110 68.746 68.868 -0.019 0.000 0.871 118 T HN 0.396 nan 8.240 nan 0.000 0.454 119 K N 0.521 120.907 120.400 -0.024 0.000 2.057 119 K HA -0.028 4.292 4.320 0.001 0.000 0.206 119 K C 2.298 178.868 176.600 -0.051 0.000 1.050 119 K CA 0.889 57.163 56.287 -0.021 0.000 0.935 119 K CB -0.339 32.157 32.500 -0.007 0.000 0.715 119 K HN 0.142 nan 8.250 nan 0.000 0.439 120 V N 0.969 120.835 119.914 -0.080 0.000 2.295 120 V HA -0.225 3.896 4.120 0.001 0.000 0.246 120 V C 2.270 178.260 176.094 -0.173 0.000 1.049 120 V CA 1.500 63.710 62.300 -0.150 0.000 1.024 120 V CB -0.326 31.398 31.823 -0.165 0.000 0.648 120 V HN 0.082 nan 8.190 nan 0.000 0.447 121 V N 0.080 119.930 119.914 -0.107 0.000 2.332 121 V HA -0.289 3.831 4.120 0.001 0.000 0.248 121 V C 2.581 178.600 176.094 -0.125 0.000 1.055 121 V CA 2.339 64.577 62.300 -0.104 0.000 1.038 121 V CB -0.608 31.195 31.823 -0.034 0.000 0.651 121 V HN 0.673 nan 8.190 nan 0.000 0.450 122 E N 0.001 120.149 120.200 -0.087 0.000 2.077 122 E HA -0.229 4.122 4.350 0.001 0.000 0.193 122 E C 2.212 178.749 176.600 -0.105 0.000 0.989 122 E CA 1.972 58.329 56.400 -0.072 0.000 0.800 122 E CB -0.131 29.548 29.700 -0.034 0.000 0.746 122 E HN 0.612 nan 8.360 nan 0.000 0.452 123 T N 1.067 115.555 114.554 -0.109 0.000 2.746 123 T HA -0.128 4.223 4.350 0.001 0.000 0.267 123 T C 1.957 176.462 174.700 -0.325 0.000 1.039 123 T CA 1.612 63.660 62.100 -0.086 0.000 1.142 123 T CB -0.146 68.748 68.868 0.043 0.000 0.866 123 T HN 0.211 nan 8.240 nan 0.000 0.444 124 M N 0.692 119.983 119.600 -0.514 0.000 2.117 124 M HA -0.068 4.413 4.480 0.001 0.000 0.262 124 M C 2.422 178.503 176.300 -0.364 0.000 1.065 124 M CA 1.301 56.198 55.300 -0.671 0.000 1.114 124 M CB -0.282 31.930 32.600 -0.647 0.000 1.361 124 M HN 0.089 nan 8.290 nan 0.000 0.408 125 E N 0.224 120.279 120.200 -0.241 0.000 2.153 125 E HA -0.171 4.179 4.350 0.001 0.000 0.194 125 E C 2.117 178.607 176.600 -0.183 0.000 0.988 125 E CA 1.021 57.330 56.400 -0.152 0.000 0.811 125 E CB -0.233 29.416 29.700 -0.086 0.000 0.746 125 E HN 0.520 nan 8.360 nan 0.000 0.466 126 Q N 0.198 119.839 119.800 -0.264 0.000 2.079 126 Q HA -0.013 4.328 4.340 0.001 0.000 0.200 126 Q C 2.139 177.804 176.000 -0.558 0.000 0.974 126 Q CA 1.278 56.884 55.803 -0.328 0.000 0.840 126 Q CB -0.590 27.984 28.738 -0.273 0.000 0.898 126 Q HN 0.252 nan 8.270 nan 0.000 0.430 127 A N 0.794 123.160 122.820 -0.757 0.000 1.902 127 A HA -0.157 4.164 4.320 0.001 0.000 0.217 127 A C 2.137 179.641 177.584 -0.135 0.000 1.181 127 A CA 1.396 53.167 52.037 -0.443 0.000 0.623 127 A CB -0.644 18.252 19.000 -0.173 0.000 0.818 127 A HN 0.331 nan 8.150 nan 0.000 0.443 128 L N -0.794 120.350 121.223 -0.133 0.000 2.005 128 L HA -0.087 4.254 4.340 0.001 0.000 0.207 128 L C 2.253 179.106 176.870 -0.029 0.000 1.072 128 L CA 2.080 56.890 54.840 -0.049 0.000 0.744 128 L CB -0.613 41.412 42.059 -0.056 0.000 0.895 128 L HN 0.335 nan 8.230 nan 0.000 0.433 129 L N -0.500 120.692 121.223 -0.051 0.000 2.079 129 L HA -0.171 4.170 4.340 0.001 0.000 0.210 129 L C 2.287 179.162 176.870 0.008 0.000 1.081 129 L CA 2.451 57.279 54.840 -0.020 0.000 0.752 129 L CB -0.888 41.154 42.059 -0.027 0.000 0.896 129 L HN 0.648 nan 8.230 nan 0.000 0.433 130 T N -4.050 110.515 114.554 0.017 0.000 3.086 130 T HA 0.325 4.676 4.350 0.001 0.000 0.250 130 T C 1.246 175.994 174.700 0.081 0.000 1.074 130 T CA 0.182 62.323 62.100 0.070 0.000 0.988 130 T CB -0.333 68.623 68.868 0.146 0.000 0.988 130 T HN 0.605 nan 8.240 nan 0.000 0.530 131 G N 2.267 111.108 108.800 0.068 0.000 2.314 131 G HA2 -0.166 3.794 3.960 0.001 0.000 0.292 131 G HA3 -0.166 3.794 3.960 0.001 0.000 0.292 131 G C 0.039 175.011 174.900 0.121 0.000 1.059 131 G CA 0.322 45.476 45.100 0.090 0.000 0.982 131 G HN 1.204 nan 8.290 nan 0.000 0.505 132 T N -2.412 112.231 114.554 0.147 0.000 2.908 132 T HA 0.760 5.111 4.350 0.001 0.000 0.290 132 T C -2.689 172.135 174.700 0.206 0.000 1.034 132 T CA -2.132 60.080 62.100 0.187 0.000 1.010 132 T CB 3.356 72.387 68.868 0.272 0.000 1.068 132 T HN -0.005 nan 8.240 nan 0.000 0.481 133 P HA 0.286 nan 4.420 nan 0.000 0.269 133 P C -1.294 176.172 177.300 0.276 0.000 1.217 133 P CA -0.256 62.941 63.100 0.162 0.000 0.783 133 P CB 0.193 31.939 31.700 0.077 0.000 0.898 134 F N 2.808 122.817 119.950 0.098 0.000 2.536 134 F HA 0.527 5.055 4.527 0.001 0.000 0.322 134 F C -1.656 174.205 175.800 0.102 0.000 1.144 134 F CA -0.861 57.207 58.000 0.113 0.000 0.924 134 F CB 0.831 39.892 39.000 0.102 0.000 1.181 134 F HN -0.007 nan 8.300 nan 0.000 0.438 135 L N 7.131 127.982 121.223 -0.620 0.000 2.346 135 L HA 0.527 4.868 4.340 0.001 0.000 0.276 135 L C -1.235 175.189 176.870 -0.743 0.000 1.006 135 L CA -0.555 53.956 54.840 -0.548 0.000 0.817 135 L CB 1.981 43.852 42.059 -0.313 0.000 1.272 135 L HN 0.669 nan 8.230 nan 0.000 0.421 136 F N 2.580 122.097 119.950 -0.723 0.000 2.562 136 F HA 0.504 5.031 4.527 0.001 0.000 0.319 136 F C -1.185 174.351 175.800 -0.439 0.000 1.154 136 F CA -0.794 56.849 58.000 -0.596 0.000 0.931 136 F CB 1.249 39.892 39.000 -0.596 0.000 1.198 136 F HN 0.240 nan 8.300 nan 0.000 0.444 137 F N 5.788 125.831 119.950 0.154 0.000 2.404 137 F HA 0.315 4.843 4.527 0.001 0.000 0.358 137 F C -0.670 175.055 175.800 -0.125 0.000 1.120 137 F CA -0.367 57.649 58.000 0.026 0.000 1.144 137 F CB 0.583 39.600 39.000 0.030 0.000 1.133 137 F HN 0.305 nan 8.300 nan 0.000 0.495 138 Y N 1.889 122.147 120.300 -0.069 0.000 2.323 138 Y HA 0.416 4.966 4.550 0.001 0.000 0.331 138 Y C -0.071 175.830 175.900 0.002 0.000 1.092 138 Y CA -0.627 57.369 58.100 -0.174 0.000 1.150 138 Y CB 1.313 39.580 38.460 -0.320 0.000 1.200 138 Y HN 0.408 nan 8.280 nan 0.000 0.472 139 D N 1.689 122.212 120.400 0.205 0.000 2.668 139 D HA 0.145 4.786 4.640 0.001 0.000 0.234 139 D C -1.523 174.966 176.300 0.315 0.000 1.349 139 D CA -0.086 54.024 54.000 0.183 0.000 0.889 139 D CB 0.650 41.553 40.800 0.171 0.000 1.520 139 D HN 0.376 nan 8.370 nan 0.000 0.521 140 S N 0.627 116.503 115.700 0.294 0.000 2.546 140 S HA 0.613 5.084 4.470 0.001 0.000 0.272 140 S C 0.988 175.773 174.600 0.309 0.000 1.140 140 S CA -0.070 58.332 58.200 0.336 0.000 0.920 140 S CB 1.364 64.720 63.200 0.260 0.000 1.083 140 S HN 0.261 nan 8.310 nan 0.000 0.476 141 G N 1.753 110.755 108.800 0.337 0.000 2.848 141 G HA2 0.478 4.439 3.960 0.001 0.000 0.208 141 G HA3 0.478 4.439 3.960 0.001 0.000 0.208 141 G C 0.947 175.958 174.900 0.184 0.000 1.152 141 G CA 0.466 45.730 45.100 0.273 0.000 0.789 141 G HN 1.624 nan 8.290 nan 0.000 0.531 142 G N -1.137 107.780 108.800 0.196 0.000 2.306 142 G HA2 0.434 4.395 3.960 0.001 0.000 0.262 142 G HA3 0.434 4.395 3.960 0.001 0.000 0.262 142 G C 0.037 175.103 174.900 0.277 0.000 1.263 142 G CA -0.262 44.970 45.100 0.221 0.000 1.088 142 G HN 1.177 nan 8.290 nan 0.000 0.489 143 A N -0.184 122.824 122.820 0.313 0.000 2.425 143 A HA 0.626 4.947 4.320 0.001 0.000 0.242 143 A C 0.920 178.584 177.584 0.134 0.000 1.077 143 A CA 0.910 53.134 52.037 0.311 0.000 0.781 143 A CB 0.253 19.463 19.000 0.350 0.000 1.020 143 A HN 1.073 nan 8.150 nan 0.000 0.494 144 R N 2.883 123.420 120.500 0.063 0.000 2.593 144 R HA 0.216 4.557 4.340 0.001 0.000 0.282 144 R C 0.463 176.781 176.300 0.031 0.000 1.300 144 R CA -0.618 55.495 56.100 0.021 0.000 1.221 144 R CB -0.254 30.033 30.300 -0.021 0.000 1.157 144 R HN 0.743 nan 8.270 nan 0.000 0.555 145 I N 2.558 123.146 120.570 0.029 0.000 2.236 145 I HA -0.327 3.843 4.170 0.001 0.000 0.249 145 I C 1.579 177.686 176.117 -0.017 0.000 1.102 145 I CA 1.452 62.754 61.300 0.004 0.000 1.365 145 I CB -0.764 37.219 38.000 -0.029 0.000 1.051 145 I HN 0.609 nan 8.210 nan 0.000 0.420 146 Q N 0.721 120.523 119.800 0.004 0.000 2.234 146 Q HA -0.169 4.172 4.340 0.001 0.000 0.206 146 Q C 1.734 177.844 176.000 0.183 0.000 0.980 146 Q CA 1.149 57.005 55.803 0.087 0.000 0.869 146 Q CB -0.193 28.616 28.738 0.118 0.000 0.912 146 Q HN 0.593 nan 8.270 nan 0.000 0.436 147 E N -0.661 119.601 120.200 0.103 0.000 2.474 147 E HA 0.163 4.514 4.350 0.001 0.000 0.195 147 E C 1.025 177.683 176.600 0.097 0.000 1.039 147 E CA 0.107 56.569 56.400 0.104 0.000 0.881 147 E CB 0.265 29.998 29.700 0.055 0.000 0.970 147 E HN 0.366 nan 8.360 nan 0.000 0.486 148 G N 2.900 111.754 108.800 0.090 0.000 2.684 148 G HA2 -0.423 3.538 3.960 0.001 0.000 0.332 148 G HA3 -0.423 3.538 3.960 0.001 0.000 0.332 148 G C 1.095 176.042 174.900 0.077 0.000 1.306 148 G CA 0.816 45.964 45.100 0.081 0.000 1.002 148 G HN 0.444 nan 8.290 nan 0.000 0.545 149 I N -1.308 119.307 120.570 0.075 0.000 2.916 149 I HA 0.036 4.207 4.170 0.001 0.000 0.267 149 I C 1.689 177.838 176.117 0.052 0.000 1.263 149 I CA 2.264 63.605 61.300 0.068 0.000 1.471 149 I CB -0.396 37.641 38.000 0.060 0.000 1.089 149 I HN 0.268 nan 8.210 nan 0.000 0.468 150 D N 1.104 121.531 120.400 0.045 0.000 2.144 150 D HA -0.151 4.489 4.640 0.001 0.000 0.200 150 D C 2.303 178.600 176.300 -0.005 0.000 0.978 150 D CA 1.509 55.522 54.000 0.022 0.000 0.833 150 D CB 0.083 40.901 40.800 0.030 0.000 0.961 150 D HN 0.424 nan 8.370 nan 0.000 0.470 151 S N 0.220 115.920 115.700 -0.001 0.000 2.368 151 S HA -0.047 4.423 4.470 0.001 0.000 0.224 151 S C 2.009 176.581 174.600 -0.046 0.000 1.029 151 S CA 0.239 58.398 58.200 -0.069 0.000 0.988 151 S CB -0.266 62.921 63.200 -0.020 0.000 0.838 151 S HN 0.188 nan 8.310 nan 0.000 0.462 152 L N 0.933 122.212 121.223 0.093 0.000 1.990 152 L HA -0.136 4.204 4.340 0.001 0.000 0.213 152 L C 2.686 179.629 176.870 0.121 0.000 1.072 152 L CA 2.072 57.027 54.840 0.191 0.000 0.755 152 L CB -0.850 41.297 42.059 0.145 0.000 0.889 152 L HN 0.424 nan 8.230 nan 0.000 0.432 153 S N -0.437 115.292 115.700 0.048 0.000 2.370 153 S HA -0.164 4.306 4.470 0.001 0.000 0.226 153 S C 1.904 176.487 174.600 -0.030 0.000 1.033 153 S CA 1.390 59.599 58.200 0.015 0.000 1.011 153 S CB -0.507 62.694 63.200 0.002 0.000 0.852 153 S HN 0.667 nan 8.310 nan 0.000 0.457 154 G N -0.620 108.132 108.800 -0.081 0.000 2.440 154 G HA2 -0.207 3.753 3.960 0.001 0.000 0.218 154 G HA3 -0.207 3.753 3.960 0.001 0.000 0.218 154 G C 1.189 175.980 174.900 -0.181 0.000 1.154 154 G CA 1.029 46.043 45.100 -0.143 0.000 0.767 154 G HN 0.648 nan 8.290 nan 0.000 0.552 155 Y N 0.843 121.018 120.300 -0.209 0.000 2.145 155 Y HA -0.048 4.503 4.550 0.001 0.000 0.286 155 Y C 3.152 178.551 175.900 -0.834 0.000 1.145 155 Y CA 0.570 58.333 58.100 -0.563 0.000 1.148 155 Y CB -0.346 37.825 38.460 -0.482 0.000 0.981 155 Y HN 0.245 nan 8.280 nan 0.000 0.507 156 G N 0.222 108.916 108.800 -0.178 0.000 2.476 156 G HA2 -0.280 3.681 3.960 0.001 0.000 0.218 156 G HA3 -0.280 3.681 3.960 0.001 0.000 0.218 156 G C 1.562 176.488 174.900 0.043 0.000 1.164 156 G CA 1.161 46.259 45.100 -0.003 0.000 0.768 156 G HN 0.314 nan 8.290 nan 0.000 0.560 157 K N -0.600 119.798 120.400 -0.003 0.000 2.097 157 K HA 0.058 4.378 4.320 0.001 0.000 0.206 157 K C 2.482 179.147 176.600 0.107 0.000 1.049 157 K CA 1.151 57.469 56.287 0.052 0.000 0.933 157 K CB -0.223 32.275 32.500 -0.003 0.000 0.717 157 K HN 0.333 nan 8.250 nan 0.000 0.442 158 M N 0.163 119.771 119.600 0.013 0.000 2.099 158 M HA -0.148 4.332 4.480 0.001 0.000 0.262 158 M C 1.466 177.921 176.300 0.258 0.000 1.067 158 M CA 1.621 56.980 55.300 0.098 0.000 1.124 158 M CB 0.006 32.665 32.600 0.099 0.000 1.353 158 M HN -0.014 nan 8.290 nan 0.000 0.410 159 F N -0.083 120.020 119.950 0.255 0.000 2.102 159 F HA -0.202 4.325 4.527 0.001 0.000 0.298 159 F C 2.225 178.126 175.800 0.169 0.000 1.105 159 F CA 1.188 59.311 58.000 0.206 0.000 1.239 159 F CB -1.696 37.413 39.000 0.181 0.000 0.991 159 F HN 0.174 nan 8.300 nan 0.000 0.474 160 F N 0.765 120.864 119.950 0.248 0.000 2.161 160 F HA -0.166 4.361 4.527 0.001 0.000 0.300 160 F C 2.310 178.169 175.800 0.098 0.000 1.089 160 F CA 1.467 59.548 58.000 0.136 0.000 1.282 160 F CB -0.425 38.629 39.000 0.090 0.000 1.010 160 F HN -0.067 nan 8.300 nan 0.000 0.485 161 A N 0.051 123.001 122.820 0.215 0.000 1.930 161 A HA -0.187 4.133 4.320 0.001 0.000 0.217 161 A C 1.935 179.532 177.584 0.021 0.000 1.175 161 A CA 1.875 53.961 52.037 0.081 0.000 0.627 161 A CB -1.091 17.955 19.000 0.076 0.000 0.815 161 A HN 0.568 nan 8.150 nan 0.000 0.443 162 N N -0.254 118.514 118.700 0.114 0.000 2.104 162 N HA -0.132 4.609 4.740 0.001 0.000 0.190 162 N C 1.502 177.042 175.510 0.049 0.000 1.024 162 N CA 1.560 54.694 53.050 0.139 0.000 0.853 162 N CB -0.207 38.425 38.487 0.243 0.000 1.008 162 N HN 0.250 nan 8.380 nan 0.000 0.424 163 V N 1.122 121.021 119.914 -0.025 0.000 2.427 163 V HA -0.209 3.912 4.120 0.001 0.000 0.248 163 V C 2.215 178.209 176.094 -0.166 0.000 1.051 163 V CA 1.411 63.644 62.300 -0.113 0.000 1.048 163 V CB -0.428 31.283 31.823 -0.185 0.000 0.666 163 V HN 0.304 nan 8.190 nan 0.000 0.456 164 K N -0.293 119.962 120.400 -0.243 0.000 2.057 164 K HA -0.182 4.138 4.320 0.001 0.000 0.207 164 K C 1.963 178.512 176.600 -0.085 0.000 1.049 164 K CA 1.501 57.661 56.287 -0.212 0.000 0.931 164 K CB -0.129 32.242 32.500 -0.215 0.000 0.714 164 K HN 0.288 nan 8.250 nan 0.000 0.440 165 L N 0.946 122.147 121.223 -0.037 0.000 2.313 165 L HA 0.042 4.382 4.340 0.001 0.000 0.214 165 L C 0.964 177.883 176.870 0.082 0.000 1.119 165 L CA 0.720 55.578 54.840 0.029 0.000 0.809 165 L CB -0.361 41.729 42.059 0.051 0.000 0.933 165 L HN 0.001 nan 8.230 nan 0.000 0.449 166 S N -0.013 115.717 115.700 0.049 0.000 2.596 166 S HA 0.278 4.749 4.470 0.001 0.000 0.298 166 S C 1.411 176.029 174.600 0.029 0.000 1.255 166 S CA 0.602 58.843 58.200 0.068 0.000 1.083 166 S CB -0.207 62.995 63.200 0.002 0.000 0.837 166 S HN 0.710 nan 8.310 nan 0.000 0.499 167 G N 2.890 111.736 108.800 0.076 0.000 2.184 167 G HA2 -0.240 3.720 3.960 0.001 0.000 0.264 167 G HA3 -0.240 3.720 3.960 0.001 0.000 0.264 167 G C 0.568 175.281 174.900 -0.310 0.000 0.975 167 G CA 0.416 45.374 45.100 -0.235 0.000 0.642 167 G HN 0.826 nan 8.290 nan 0.000 0.536 168 V N -0.602 119.337 119.914 0.041 0.000 2.911 168 V HA 0.415 4.536 4.120 0.001 0.000 0.237 168 V C 1.280 177.587 176.094 0.355 0.000 1.156 168 V CA 1.404 63.750 62.300 0.077 0.000 1.180 168 V CB 0.837 32.692 31.823 0.054 0.000 0.932 168 V HN 1.137 nan 8.190 nan 0.000 0.483 169 V N -2.204 117.970 119.914 0.434 0.000 2.789 169 V HA 0.695 4.816 4.120 0.001 0.000 0.311 169 V C -3.146 173.115 176.094 0.278 0.000 1.073 169 V CA -2.851 59.667 62.300 0.364 0.000 0.921 169 V CB 1.667 33.617 31.823 0.210 0.000 1.009 169 V HN 0.133 nan 8.190 nan 0.000 0.426 170 P HA 0.307 nan 4.420 nan 0.000 0.268 170 P C -1.018 176.361 177.300 0.131 0.000 1.204 170 P CA 0.221 63.223 63.100 -0.163 0.000 0.768 170 P CB 0.246 31.789 31.700 -0.260 0.000 0.842 171 Q N 2.329 122.256 119.800 0.211 0.000 2.327 171 Q HA 0.541 4.882 4.340 0.001 0.000 0.270 171 Q C -0.666 175.444 176.000 0.183 0.000 1.022 171 Q CA -0.406 55.548 55.803 0.253 0.000 0.773 171 Q CB 1.651 30.580 28.738 0.319 0.000 1.251 171 Q HN 0.421 nan 8.270 nan 0.000 0.457 172 I N 1.791 122.424 120.570 0.104 0.000 2.406 172 I HA 0.578 4.748 4.170 0.001 0.000 0.290 172 I C -0.449 175.677 176.117 0.016 0.000 0.999 172 I CA -0.764 60.575 61.300 0.064 0.000 1.124 172 I CB 1.802 39.786 38.000 -0.026 0.000 1.289 172 I HN 0.552 nan 8.210 nan 0.000 0.441 173 A N 7.424 130.287 122.820 0.072 0.000 2.304 173 A HA 0.834 5.154 4.320 0.001 0.000 0.323 173 A C -0.755 176.832 177.584 0.006 0.000 1.195 173 A CA -0.373 51.741 52.037 0.129 0.000 0.826 173 A CB 0.485 19.532 19.000 0.080 0.000 1.184 173 A HN 0.601 nan 8.150 nan 0.000 0.496 174 I N 3.937 124.482 120.570 -0.042 0.000 2.382 174 I HA 0.247 4.417 4.170 0.001 0.000 0.285 174 I C -0.595 175.562 176.117 0.067 0.000 1.007 174 I CA -0.130 61.115 61.300 -0.091 0.000 1.142 174 I CB 1.476 39.243 38.000 -0.389 0.000 1.289 174 I HN 0.406 nan 8.210 nan 0.000 0.453 175 I N 5.734 126.315 120.570 0.018 0.000 2.322 175 I HA 0.325 4.495 4.170 0.001 0.000 0.292 175 I C 1.045 177.183 176.117 0.035 0.000 1.060 175 I CA 0.050 61.350 61.300 -0.001 0.000 1.309 175 I CB 0.615 38.534 38.000 -0.134 0.000 1.415 175 I HN 0.690 nan 8.210 nan 0.000 0.492 176 A N 4.656 127.530 122.820 0.090 0.000 2.606 176 A HA 0.730 5.051 4.320 0.001 0.000 0.290 176 A C 0.754 178.342 177.584 0.008 0.000 1.174 176 A CA 0.249 52.333 52.037 0.078 0.000 0.958 176 A CB 0.186 19.289 19.000 0.173 0.000 1.194 176 A HN 0.844 nan 8.150 nan 0.000 0.526 177 G N -0.644 108.139 108.800 -0.028 0.000 2.393 177 G HA2 0.475 4.435 3.960 0.001 0.000 0.264 177 G HA3 0.475 4.435 3.960 0.001 0.000 0.264 177 G C -3.548 171.300 174.900 -0.087 0.000 1.221 177 G CA -0.547 44.489 45.100 -0.106 0.000 0.912 177 G HN -0.035 nan 8.290 nan 0.000 0.483 178 P HA 0.473 nan 4.420 nan 0.000 0.274 178 P C -0.508 176.760 177.300 -0.053 0.000 1.246 178 P CA -0.223 62.832 63.100 -0.076 0.000 0.795 178 P CB 1.407 33.086 31.700 -0.036 0.000 1.006 179 C N 1.864 121.079 119.300 -0.142 0.000 3.175 179 C HA 0.662 5.122 4.460 0.001 0.000 0.352 179 C C -0.616 174.218 174.990 -0.260 0.000 0.938 179 C CA -0.105 58.831 59.018 -0.137 0.000 1.236 179 C CB -1.325 26.287 27.740 -0.214 0.000 1.623 179 C HN 0.657 nan 8.230 nan 0.000 0.597 180 A N 3.126 125.851 122.820 -0.158 0.000 2.312 180 A HA 0.950 5.270 4.320 0.001 0.000 0.326 180 A C 0.782 178.354 177.584 -0.021 0.000 1.172 180 A CA 0.870 52.815 52.037 -0.154 0.000 0.821 180 A CB 0.726 19.743 19.000 0.029 0.000 1.166 180 A HN 2.665 nan 8.150 nan 0.000 0.493 181 G N 0.897 109.705 108.800 0.013 0.000 2.632 181 G HA2 0.166 4.127 3.960 0.001 0.000 0.224 181 G HA3 0.166 4.127 3.960 0.001 0.000 0.224 181 G C 1.078 175.870 174.900 -0.181 0.000 1.341 181 G CA 0.243 45.329 45.100 -0.022 0.000 0.880 181 G HN 1.941 nan 8.290 nan 0.000 0.566 182 G N -0.028 108.664 108.800 -0.180 0.000 2.501 182 G HA2 0.235 4.195 3.960 0.001 0.000 0.220 182 G HA3 0.235 4.195 3.960 0.001 0.000 0.220 182 G C 2.079 176.862 174.900 -0.196 0.000 1.114 182 G CA 2.693 47.680 45.100 -0.189 0.000 0.757 182 G HN 2.021 nan 8.290 nan 0.000 0.559 183 A N 1.006 123.649 122.820 -0.295 0.000 1.986 183 A HA -0.067 4.253 4.320 0.001 0.000 0.220 183 A C 2.650 180.228 177.584 -0.010 0.000 1.171 183 A CA 2.187 54.209 52.037 -0.024 0.000 0.640 183 A CB -0.601 18.493 19.000 0.156 0.000 0.811 183 A HN 0.324 nan 8.150 nan 0.000 0.451 184 S N -1.339 114.209 115.700 -0.253 0.000 2.440 184 S HA -0.183 4.287 4.470 0.001 0.000 0.238 184 S C 1.526 175.914 174.600 -0.353 0.000 1.010 184 S CA 1.347 59.319 58.200 -0.379 0.000 0.972 184 S CB -0.634 62.289 63.200 -0.462 0.000 0.774 184 S HN 0.754 nan 8.310 nan 0.000 0.501 185 Y N 0.994 121.164 120.300 -0.216 0.000 2.421 185 Y HA -0.090 4.460 4.550 0.001 0.000 0.292 185 Y C 2.876 178.632 175.900 -0.239 0.000 1.136 185 Y CA 0.670 58.530 58.100 -0.400 0.000 1.255 185 Y CB -0.178 37.722 38.460 -0.932 0.000 0.991 185 Y HN 0.290 nan 8.280 nan 0.000 0.552 186 S N 0.346 116.192 115.700 0.244 0.000 2.345 186 S HA -0.094 4.377 4.470 0.001 0.000 0.220 186 S C -0.616 174.071 174.600 0.146 0.000 1.031 186 S CA 1.227 59.675 58.200 0.414 0.000 0.996 186 S CB -1.062 62.540 63.200 0.669 0.000 0.882 186 S HN 0.157 nan 8.310 nan 0.000 0.445 187 P HA -0.017 nan 4.420 nan 0.000 0.216 187 P C 1.398 178.635 177.300 -0.105 0.000 1.150 187 P CA 1.620 64.547 63.100 -0.287 0.000 0.843 187 P CB -0.231 31.101 31.700 -0.613 0.000 0.787 188 A N -0.951 121.812 122.820 -0.095 0.000 2.019 188 A HA -0.135 4.185 4.320 0.001 0.000 0.219 188 A C 2.016 179.595 177.584 -0.008 0.000 1.164 188 A CA 1.344 53.355 52.037 -0.043 0.000 0.644 188 A CB -1.507 17.486 19.000 -0.011 0.000 0.805 188 A HN 0.170 nan 8.150 nan 0.000 0.449 189 L N 0.119 121.356 121.223 0.023 0.000 2.558 189 L HA 0.044 4.384 4.340 0.001 0.000 0.225 189 L C 1.597 178.511 176.870 0.074 0.000 1.128 189 L CA 0.504 55.368 54.840 0.040 0.000 0.868 189 L CB -0.483 41.621 42.059 0.075 0.000 1.006 189 L HN 0.529 nan 8.230 nan 0.000 0.454 190 T N -4.469 110.138 114.554 0.087 0.000 2.771 190 T HA 0.094 4.445 4.350 0.001 0.000 0.290 190 T C 0.769 175.450 174.700 -0.031 0.000 1.005 190 T CA -0.569 61.595 62.100 0.108 0.000 0.944 190 T CB 1.135 70.099 68.868 0.160 0.000 1.147 190 T HN -0.056 nan 8.240 nan 0.000 0.534 191 D N -0.464 119.881 120.400 -0.092 0.000 2.162 191 D HA 0.161 4.802 4.640 0.001 0.000 0.205 191 D C -0.110 175.502 176.300 -1.147 0.000 0.964 191 D CA 1.089 54.794 54.000 -0.491 0.000 0.847 191 D CB 0.043 40.631 40.800 -0.355 0.000 0.988 191 D HN 0.493 nan 8.370 nan 0.000 0.480 192 F N 0.110 119.836 119.950 -0.373 0.000 2.569 192 F HA 0.452 4.979 4.527 0.001 0.000 0.312 192 F C -0.174 175.543 175.800 -0.139 0.000 1.109 192 F CA -0.890 56.783 58.000 -0.545 0.000 0.919 192 F CB 2.085 40.958 39.000 -0.213 0.000 1.211 192 F HN -0.362 nan 8.300 nan 0.000 0.446 193 I N 4.557 125.290 120.570 0.271 0.000 2.355 193 I HA 0.404 4.575 4.170 0.001 0.000 0.288 193 I C -0.680 175.606 176.117 0.283 0.000 0.999 193 I CA -0.463 60.963 61.300 0.210 0.000 1.163 193 I CB 1.387 39.445 38.000 0.098 0.000 1.316 193 I HN 0.458 nan 8.210 nan 0.000 0.454 194 I N 6.931 127.615 120.570 0.191 0.000 2.321 194 I HA 0.391 4.562 4.170 0.001 0.000 0.291 194 I C -0.195 175.969 176.117 0.077 0.000 0.998 194 I CA -0.232 61.186 61.300 0.196 0.000 1.227 194 I CB 1.451 39.491 38.000 0.066 0.000 1.368 194 I HN 0.546 nan 8.210 nan 0.000 0.466 195 M N 6.725 126.365 119.600 0.068 0.000 2.253 195 M HA 0.376 4.857 4.480 0.001 0.000 0.314 195 M C -0.002 176.302 176.300 0.007 0.000 1.019 195 M CA -0.467 54.833 55.300 -0.000 0.000 0.932 195 M CB 1.766 34.336 32.600 -0.050 0.000 1.606 195 M HN 0.705 nan 8.290 nan 0.000 0.430 196 T N 0.966 115.518 114.554 -0.004 0.000 2.849 196 T HA 0.352 4.702 4.350 0.001 0.000 0.284 196 T C 0.644 175.320 174.700 -0.040 0.000 1.004 196 T CA -0.601 61.497 62.100 -0.003 0.000 1.021 196 T CB 1.000 69.874 68.868 0.010 0.000 1.013 196 T HN 0.812 nan 8.240 nan 0.000 0.527 197 K N 0.154 120.536 120.400 -0.030 0.000 2.504 197 K HA 0.028 4.349 4.320 0.001 0.000 0.195 197 K C 1.640 178.200 176.600 -0.066 0.000 1.036 197 K CA 0.383 56.640 56.287 -0.051 0.000 0.984 197 K CB 0.088 32.576 32.500 -0.020 0.000 0.788 197 K HN 0.365 nan 8.250 nan 0.000 0.488 198 K N 0.172 120.545 120.400 -0.045 0.000 2.426 198 K HA 0.138 4.458 4.320 0.001 0.000 0.193 198 K C 0.625 177.205 176.600 -0.032 0.000 1.028 198 K CA 0.104 56.382 56.287 -0.015 0.000 1.047 198 K CB 0.453 32.949 32.500 -0.006 0.000 0.821 198 K HN 0.065 nan 8.250 nan 0.000 0.513 199 A N 0.809 123.553 122.820 -0.126 0.000 2.264 199 A HA 0.567 4.888 4.320 0.001 0.000 0.304 199 A C -0.933 176.408 177.584 -0.405 0.000 1.100 199 A CA -0.267 51.684 52.037 -0.142 0.000 0.839 199 A CB 0.336 19.267 19.000 -0.114 0.000 1.121 199 A HN 0.321 nan 8.150 nan 0.000 0.496 200 H N -1.074 117.927 119.070 -0.115 0.000 2.996 200 H HA 0.690 5.246 4.556 0.001 0.000 0.368 200 H C -0.712 174.410 175.328 -0.343 0.000 1.185 200 H CA -0.344 55.622 56.048 -0.137 0.000 1.160 200 H CB 1.827 31.533 29.762 -0.092 0.000 1.820 200 H HN 0.780 nan 8.280 nan 0.000 0.547 201 M N 3.353 122.792 119.600 -0.268 0.000 2.414 201 M HA 0.556 5.036 4.480 0.001 0.000 0.287 201 M C -2.091 174.050 176.300 -0.264 0.000 1.181 201 M CA -0.632 54.383 55.300 -0.476 0.000 0.933 201 M CB 1.798 34.114 32.600 -0.474 0.000 1.732 201 M HN 0.605 nan 8.290 nan 0.000 0.486 202 F N 2.542 122.517 119.950 0.041 0.000 2.769 202 F HA 0.428 4.955 4.527 0.001 0.000 0.313 202 F C -0.911 174.845 175.800 -0.074 0.000 1.146 202 F CA -1.157 56.859 58.000 0.026 0.000 0.934 202 F CB -0.077 38.947 39.000 0.041 0.000 1.283 202 F HN 0.365 nan 8.300 nan 0.000 0.443 203 I N 0.379 121.050 120.570 0.168 0.000 2.339 203 I HA 0.039 4.209 4.170 0.001 0.000 0.245 203 I C 0.732 176.925 176.117 0.127 0.000 1.096 203 I CA 1.248 62.562 61.300 0.022 0.000 1.408 203 I CB -0.667 37.301 38.000 -0.053 0.000 1.092 203 I HN 0.655 nan 8.210 nan 0.000 0.423 204 T N 1.592 116.214 114.554 0.114 0.000 2.779 204 T HA 0.576 4.927 4.350 0.001 0.000 0.280 204 T C 0.339 174.938 174.700 -0.169 0.000 0.987 204 T CA -0.541 61.571 62.100 0.019 0.000 0.966 204 T CB 1.883 70.742 68.868 -0.016 0.000 0.933 204 T HN 0.307 nan 8.240 nan 0.000 0.442 205 G N 2.888 111.532 108.800 -0.261 0.000 2.599 205 G HA2 0.362 4.322 3.960 0.001 0.000 0.264 205 G HA3 0.362 4.322 3.960 0.001 0.000 0.264 205 G C -1.615 172.984 174.900 -0.503 0.000 1.200 205 G CA -1.443 43.222 45.100 -0.724 0.000 0.896 205 G HN 0.387 nan 8.290 nan 0.000 0.536 206 P HA -0.118 nan 4.420 nan 0.000 0.216 206 P C 1.802 178.999 177.300 -0.172 0.000 1.150 206 P CA 1.246 64.173 63.100 -0.288 0.000 0.837 206 P CB 0.213 31.770 31.700 -0.239 0.000 0.786 207 Q N -0.712 119.000 119.800 -0.147 0.000 1.993 207 Q HA -0.114 4.226 4.340 0.001 0.000 0.202 207 Q C 2.130 178.086 176.000 -0.075 0.000 0.984 207 Q CA 1.490 57.242 55.803 -0.086 0.000 0.837 207 Q CB -0.937 27.766 28.738 -0.057 0.000 0.902 207 Q HN 0.094 nan 8.270 nan 0.000 0.423 208 V N 1.178 121.045 119.914 -0.079 0.000 2.343 208 V HA -0.268 3.852 4.120 0.001 0.000 0.247 208 V C 2.187 178.243 176.094 -0.063 0.000 1.051 208 V CA 1.526 63.792 62.300 -0.057 0.000 1.036 208 V CB -0.537 31.259 31.823 -0.046 0.000 0.654 208 V HN 0.348 nan 8.190 nan 0.000 0.451 209 I N 0.019 120.534 120.570 -0.092 0.000 2.127 209 I HA -0.284 3.886 4.170 0.001 0.000 0.241 209 I C 2.654 178.733 176.117 -0.063 0.000 1.075 209 I CA 1.943 63.194 61.300 -0.082 0.000 1.334 209 I CB -0.406 37.526 38.000 -0.113 0.000 1.040 209 I HN 0.282 nan 8.210 nan 0.000 0.405 210 K N 1.085 121.444 120.400 -0.068 0.000 2.020 210 K HA -0.229 4.091 4.320 0.001 0.000 0.212 210 K C 2.238 178.815 176.600 -0.039 0.000 1.050 210 K CA 2.297 58.553 56.287 -0.051 0.000 0.929 210 K CB -0.811 31.658 32.500 -0.052 0.000 0.714 210 K HN 0.118 nan 8.250 nan 0.000 0.443 211 S N -1.009 114.668 115.700 -0.038 0.000 2.440 211 S HA -0.074 4.396 4.470 0.001 0.000 0.238 211 S C 1.590 176.176 174.600 -0.024 0.000 1.010 211 S CA 1.365 59.548 58.200 -0.028 0.000 0.972 211 S CB -0.125 63.059 63.200 -0.026 0.000 0.774 211 S HN 0.194 nan 8.310 nan 0.000 0.501 212 V N 0.409 120.307 119.914 -0.027 0.000 2.788 212 V HA 0.085 4.206 4.120 0.001 0.000 0.241 212 V C 2.451 178.533 176.094 -0.020 0.000 1.083 212 V CA 1.500 63.787 62.300 -0.021 0.000 1.103 212 V CB -0.018 31.793 31.823 -0.020 0.000 0.800 212 V HN 0.741 nan 8.190 nan 0.000 0.476 213 T N -3.358 111.181 114.554 -0.025 0.000 3.001 213 T HA 0.351 4.702 4.350 0.001 0.000 0.251 213 T C 1.567 176.254 174.700 -0.022 0.000 1.040 213 T CA 1.040 63.126 62.100 -0.022 0.000 0.985 213 T CB 0.950 69.804 68.868 -0.024 0.000 1.011 213 T HN 0.928 nan 8.240 nan 0.000 0.509 214 G N 1.377 110.162 108.800 -0.025 0.000 2.179 214 G HA2 -0.237 3.723 3.960 0.001 0.000 0.260 214 G HA3 -0.237 3.723 3.960 0.001 0.000 0.260 214 G C -0.215 174.669 174.900 -0.027 0.000 0.977 214 G CA 0.080 45.166 45.100 -0.024 0.000 0.641 214 G HN 0.663 nan 8.290 nan 0.000 0.533 215 E N 1.265 121.446 120.200 -0.032 0.000 2.360 215 E HA 0.380 4.730 4.350 0.001 0.000 0.269 215 E C -0.707 175.868 176.600 -0.042 0.000 1.022 215 E CA -0.171 56.208 56.400 -0.035 0.000 0.887 215 E CB 0.540 30.218 29.700 -0.038 0.000 0.990 215 E HN 0.236 nan 8.360 nan 0.000 0.426 216 D N 2.105 122.483 120.400 -0.037 0.000 2.233 216 D HA 0.404 5.044 4.640 0.001 0.000 0.240 216 D C -1.040 175.234 176.300 -0.042 0.000 1.074 216 D CA -0.238 53.739 54.000 -0.039 0.000 0.838 216 D CB 1.758 42.540 40.800 -0.029 0.000 1.124 216 D HN 0.072 nan 8.370 nan 0.000 0.475 217 V N 1.592 121.474 119.914 -0.052 0.000 3.023 217 V HA 0.459 4.579 4.120 0.001 0.000 0.294 217 V C -0.602 175.459 176.094 -0.056 0.000 1.324 217 V CA -0.632 61.637 62.300 -0.052 0.000 0.979 217 V CB 2.212 33.997 31.823 -0.064 0.000 1.093 217 V HN 0.712 nan 8.190 nan 0.000 0.434 218 T N 3.112 117.647 114.554 -0.032 0.000 2.874 218 T HA 0.671 5.022 4.350 0.001 0.000 0.281 218 T C 1.327 176.026 174.700 -0.000 0.000 0.994 218 T CA 0.238 62.326 62.100 -0.021 0.000 1.015 218 T CB 1.682 70.552 68.868 0.004 0.000 1.028 218 T HN 1.530 nan 8.240 nan 0.000 0.523 219 A N 0.889 123.714 122.820 0.008 0.000 1.908 219 A HA -0.098 4.223 4.320 0.001 0.000 0.218 219 A C 2.004 179.783 177.584 0.325 0.000 1.181 219 A CA 2.133 54.247 52.037 0.129 0.000 0.627 219 A CB -1.318 17.696 19.000 0.024 0.000 0.818 219 A HN 1.012 nan 8.150 nan 0.000 0.445 220 D N -0.786 119.771 120.400 0.262 0.000 2.144 220 D HA -0.120 4.520 4.640 0.001 0.000 0.200 220 D C 1.953 178.352 176.300 0.164 0.000 0.978 220 D CA 1.496 55.715 54.000 0.364 0.000 0.833 220 D CB -0.092 40.886 40.800 0.296 0.000 0.961 220 D HN 0.637 nan 8.370 nan 0.000 0.470 221 E N -0.657 119.599 120.200 0.093 0.000 2.107 221 E HA -0.117 4.233 4.350 0.001 0.000 0.191 221 E C 1.912 178.517 176.600 0.010 0.000 0.982 221 E CA 0.383 56.802 56.400 0.032 0.000 0.809 221 E CB 0.023 29.729 29.700 0.009 0.000 0.756 221 E HN 0.253 nan 8.360 nan 0.000 0.459 222 L N -0.579 120.666 121.223 0.036 0.000 2.068 222 L HA 0.062 4.403 4.340 0.001 0.000 0.204 222 L C 1.569 178.453 176.870 0.022 0.000 1.076 222 L CA 1.935 56.783 54.840 0.013 0.000 0.753 222 L CB 0.096 42.136 42.059 -0.031 0.000 0.910 222 L HN 0.086 nan 8.230 nan 0.000 0.439 223 G N -1.156 107.761 108.800 0.196 0.000 4.658 223 G HA2 0.399 4.360 3.960 0.001 0.000 0.279 223 G HA3 0.399 4.360 3.960 0.001 0.000 0.279 223 G C 0.397 175.383 174.900 0.143 0.000 0.997 223 G CA 0.138 45.312 45.100 0.124 0.000 0.765 223 G HN 0.571 nan 8.290 nan 0.000 0.442 224 G N -0.520 108.305 108.800 0.042 0.000 2.651 224 G HA2 0.471 4.431 3.960 0.001 0.000 0.260 224 G HA3 0.471 4.431 3.960 0.001 0.000 0.260 224 G C 1.344 176.212 174.900 -0.054 0.000 1.216 224 G CA 0.356 45.364 45.100 -0.153 0.000 0.913 224 G HN 0.508 nan 8.290 nan 0.000 0.535 225 A N -0.346 122.417 122.820 -0.096 0.000 1.908 225 A HA -0.076 4.244 4.320 0.001 0.000 0.218 225 A C 2.190 179.775 177.584 0.001 0.000 1.181 225 A CA 2.022 54.048 52.037 -0.018 0.000 0.627 225 A CB -0.386 18.588 19.000 -0.043 0.000 0.818 225 A HN 0.565 nan 8.150 nan 0.000 0.445 226 E N -0.112 120.076 120.200 -0.021 0.000 2.110 226 E HA -0.119 4.232 4.350 0.001 0.000 0.193 226 E C 2.319 178.902 176.600 -0.028 0.000 0.988 226 E CA 1.222 57.613 56.400 -0.015 0.000 0.804 226 E CB -0.654 29.039 29.700 -0.013 0.000 0.745 226 E HN 0.595 nan 8.360 nan 0.000 0.458 227 A N 1.293 124.073 122.820 -0.067 0.000 1.898 227 A HA -0.189 4.132 4.320 0.001 0.000 0.216 227 A C 1.988 179.469 177.584 -0.172 0.000 1.181 227 A CA 1.346 53.306 52.037 -0.127 0.000 0.620 227 A CB -0.670 18.216 19.000 -0.190 0.000 0.819 227 A HN 0.249 nan 8.150 nan 0.000 0.442 228 H N -1.762 117.269 119.070 -0.065 0.000 2.389 228 H HA -0.079 4.477 4.556 0.001 0.000 0.299 228 H C 2.068 177.297 175.328 -0.165 0.000 1.081 228 H CA 1.997 57.976 56.048 -0.116 0.000 1.345 228 H CB -0.238 29.445 29.762 -0.132 0.000 1.393 228 H HN 0.548 nan 8.280 nan 0.000 0.520 229 M N 0.736 120.332 119.600 -0.006 0.000 2.064 229 M HA 0.003 4.483 4.480 0.001 0.000 0.260 229 M C 2.348 178.666 176.300 0.030 0.000 1.073 229 M CA 2.023 57.293 55.300 -0.050 0.000 1.124 229 M CB -0.483 32.108 32.600 -0.016 0.000 1.326 229 M HN 0.112 nan 8.290 nan 0.000 0.410 230 A N -0.834 122.026 122.820 0.067 0.000 1.975 230 A HA 0.158 4.478 4.320 0.001 0.000 0.215 230 A C 2.039 179.737 177.584 0.191 0.000 1.170 230 A CA 1.327 53.448 52.037 0.139 0.000 0.656 230 A CB -0.575 18.454 19.000 0.049 0.000 0.821 230 A HN 0.598 nan 8.150 nan 0.000 0.449 231 I N -1.902 118.726 120.570 0.096 0.000 3.132 231 I HA -0.019 4.151 4.170 0.001 0.000 0.255 231 I C 2.294 178.470 176.117 0.099 0.000 1.118 231 I CA 0.782 62.135 61.300 0.088 0.000 1.463 231 I CB -0.207 37.794 38.000 0.001 0.000 1.356 231 I HN 0.101 nan 8.210 nan 0.000 0.463 232 S N 0.562 116.248 115.700 -0.023 0.000 2.428 232 S HA 0.031 4.501 4.470 0.001 0.000 0.230 232 S C 1.634 176.113 174.600 -0.201 0.000 1.014 232 S CA 0.976 59.143 58.200 -0.055 0.000 0.957 232 S CB -0.129 63.054 63.200 -0.028 0.000 0.784 232 S HN 0.699 nan 8.310 nan 0.000 0.499 233 G N 1.538 109.995 108.800 -0.571 0.000 2.160 233 G HA2 -0.329 3.631 3.960 0.001 0.000 0.251 233 G HA3 -0.329 3.631 3.960 0.001 0.000 0.251 233 G C 0.463 174.962 174.900 -0.669 0.000 1.008 233 G CA 0.651 44.943 45.100 -1.346 0.000 0.724 233 G HN 0.589 nan 8.290 nan 0.000 0.514 234 N N -0.471 118.007 118.700 -0.369 0.000 2.376 234 N HA 0.247 4.987 4.740 0.001 0.000 0.177 234 N C 1.291 176.607 175.510 -0.323 0.000 1.024 234 N CA 0.937 53.835 53.050 -0.254 0.000 0.893 234 N CB 0.188 38.605 38.487 -0.118 0.000 0.980 234 N HN 0.839 nan 8.380 nan 0.000 0.439 235 I N -3.124 117.227 120.570 -0.364 0.000 3.023 235 I HA 0.388 4.558 4.170 0.001 0.000 0.312 235 I C -0.042 175.766 176.117 -0.516 0.000 1.056 235 I CA -0.756 60.359 61.300 -0.308 0.000 1.033 235 I CB 1.635 39.554 38.000 -0.135 0.000 1.233 235 I HN -0.156 nan 8.210 nan 0.000 0.462 236 H N 1.584 120.565 119.070 -0.148 0.000 2.681 236 H HA 0.458 5.014 4.556 0.001 0.000 0.268 236 H C -0.966 173.914 175.328 -0.747 0.000 0.967 236 H CA 0.485 56.306 56.048 -0.378 0.000 1.233 236 H CB 0.355 29.996 29.762 -0.203 0.000 1.445 236 H HN 0.433 nan 8.280 nan 0.000 0.494 237 F N -0.255 119.764 119.950 0.115 0.000 2.591 237 F HA 0.472 4.999 4.527 0.001 0.000 0.309 237 F C -0.842 174.970 175.800 0.020 0.000 1.098 237 F CA -1.285 56.749 58.000 0.057 0.000 0.937 237 F CB 1.917 40.947 39.000 0.051 0.000 1.250 237 F HN -0.343 nan 8.300 nan 0.000 0.447 238 V N 2.642 122.668 119.914 0.187 0.000 2.370 238 V HA 0.798 4.919 4.120 0.001 0.000 0.283 238 V C -0.177 175.977 176.094 0.099 0.000 1.023 238 V CA -0.621 61.738 62.300 0.098 0.000 0.857 238 V CB 1.254 33.108 31.823 0.052 0.000 0.985 238 V HN 0.889 nan 8.190 nan 0.000 0.443 239 A N 3.167 126.027 122.820 0.067 0.000 2.337 239 A HA 0.692 5.013 4.320 0.001 0.000 0.329 239 A C 0.838 178.437 177.584 0.025 0.000 1.146 239 A CA -0.410 51.654 52.037 0.046 0.000 0.800 239 A CB 1.345 20.368 19.000 0.038 0.000 1.220 239 A HN 0.812 nan 8.150 nan 0.000 0.472 240 E N 1.102 121.313 120.200 0.019 0.000 2.058 240 E HA -0.114 4.236 4.350 0.001 0.000 0.194 240 E C 0.272 176.877 176.600 0.008 0.000 0.997 240 E CA 2.440 58.846 56.400 0.011 0.000 0.801 240 E CB 0.052 29.756 29.700 0.007 0.000 0.746 240 E HN 0.862 nan 8.360 nan 0.000 0.450 241 D N -2.974 117.433 120.400 0.011 0.000 2.825 241 D HA 0.127 4.768 4.640 0.001 0.000 0.327 241 D C 0.116 176.430 176.300 0.023 0.000 1.277 241 D CA -0.374 53.634 54.000 0.012 0.000 0.950 241 D CB -0.294 40.508 40.800 0.004 0.000 1.438 241 D HN -0.249 nan 8.370 nan 0.000 0.526 242 D N -0.418 119.998 120.400 0.026 0.000 2.149 242 D HA -0.111 4.530 4.640 0.001 0.000 0.198 242 D C 1.030 177.352 176.300 0.037 0.000 0.990 242 D CA 1.202 55.229 54.000 0.045 0.000 0.839 242 D CB -0.133 40.674 40.800 0.012 0.000 0.948 242 D HN 0.357 nan 8.370 nan 0.000 0.460 243 D N 0.173 120.577 120.400 0.006 0.000 2.097 243 D HA -0.088 4.552 4.640 0.001 0.000 0.195 243 D C 2.020 178.319 176.300 -0.002 0.000 0.989 243 D CA 1.475 55.472 54.000 -0.006 0.000 0.827 243 D CB -0.324 40.464 40.800 -0.019 0.000 0.966 243 D HN 0.148 nan 8.370 nan 0.000 0.456 244 A N 0.653 123.472 122.820 -0.000 0.000 1.933 244 A HA -0.022 4.299 4.320 0.001 0.000 0.218 244 A C 2.267 179.844 177.584 -0.011 0.000 1.175 244 A CA 2.130 54.162 52.037 -0.008 0.000 0.628 244 A CB -0.674 18.325 19.000 -0.001 0.000 0.814 244 A HN 0.236 nan 8.150 nan 0.000 0.444 245 A N -0.140 122.690 122.820 0.016 0.000 1.930 245 A HA -0.145 4.175 4.320 0.001 0.000 0.217 245 A C 1.887 179.473 177.584 0.004 0.000 1.175 245 A CA 1.678 53.724 52.037 0.016 0.000 0.627 245 A CB -0.468 18.580 19.000 0.079 0.000 0.815 245 A HN 0.618 nan 8.150 nan 0.000 0.443 246 E N -0.101 120.134 120.200 0.058 0.000 2.072 246 E HA -0.117 4.233 4.350 0.001 0.000 0.191 246 E C 1.919 178.505 176.600 -0.024 0.000 0.985 246 E CA 1.133 57.570 56.400 0.062 0.000 0.801 246 E CB -0.272 29.479 29.700 0.085 0.000 0.750 246 E HN 0.618 nan 8.360 nan 0.000 0.452 247 L N 0.526 121.726 121.223 -0.040 0.000 2.046 247 L HA -0.178 4.162 4.340 0.001 0.000 0.208 247 L C 2.403 179.207 176.870 -0.110 0.000 1.077 247 L CA 0.964 55.764 54.840 -0.066 0.000 0.747 247 L CB -0.323 41.702 42.059 -0.056 0.000 0.896 247 L HN 0.171 nan 8.230 nan 0.000 0.432 248 I N -0.227 120.259 120.570 -0.140 0.000 2.286 248 I HA -0.273 3.897 4.170 0.001 0.000 0.248 248 I C 2.782 178.707 176.117 -0.320 0.000 1.115 248 I CA 1.079 62.222 61.300 -0.262 0.000 1.392 248 I CB -0.414 37.392 38.000 -0.324 0.000 1.065 248 I HN 0.203 nan 8.210 nan 0.000 0.418 249 A N 0.872 123.550 122.820 -0.236 0.000 1.902 249 A HA -0.224 4.097 4.320 0.001 0.000 0.217 249 A C 2.318 179.789 177.584 -0.188 0.000 1.181 249 A CA 1.648 53.548 52.037 -0.230 0.000 0.623 249 A CB -0.413 18.472 19.000 -0.192 0.000 0.818 249 A HN 0.317 nan 8.150 nan 0.000 0.443 250 K N -0.614 119.702 120.400 -0.141 0.000 2.057 250 K HA -0.094 4.226 4.320 0.001 0.000 0.206 250 K C 2.192 178.709 176.600 -0.139 0.000 1.050 250 K CA 1.143 57.358 56.287 -0.120 0.000 0.935 250 K CB -0.105 32.340 32.500 -0.092 0.000 0.715 250 K HN 0.187 nan 8.250 nan 0.000 0.439 251 K N 1.413 121.729 120.400 -0.139 0.000 2.026 251 K HA -0.130 4.191 4.320 0.001 0.000 0.208 251 K C 2.166 178.739 176.600 -0.045 0.000 1.048 251 K CA 1.017 57.239 56.287 -0.108 0.000 0.929 251 K CB -0.426 32.038 32.500 -0.059 0.000 0.713 251 K HN 0.050 nan 8.250 nan 0.000 0.439 252 L N 1.501 122.651 121.223 -0.122 0.000 1.989 252 L HA -0.188 4.153 4.340 0.001 0.000 0.211 252 L C 2.326 179.111 176.870 -0.141 0.000 1.071 252 L CA 1.565 56.315 54.840 -0.150 0.000 0.749 252 L CB -0.978 40.820 42.059 -0.434 0.000 0.890 252 L HN 0.187 nan 8.230 nan 0.000 0.431 253 L N -0.191 120.930 121.223 -0.170 0.000 2.127 253 L HA -0.197 4.143 4.340 0.001 0.000 0.211 253 L C 2.756 179.548 176.870 -0.130 0.000 1.089 253 L CA 2.075 56.831 54.840 -0.139 0.000 0.757 253 L CB -0.925 41.065 42.059 -0.115 0.000 0.899 253 L HN 0.663 nan 8.230 nan 0.000 0.434 254 S N -1.550 114.042 115.700 -0.180 0.000 2.440 254 S HA -0.200 4.270 4.470 0.001 0.000 0.238 254 S C 1.757 176.167 174.600 -0.317 0.000 1.010 254 S CA 1.316 59.358 58.200 -0.263 0.000 0.972 254 S CB -1.092 61.883 63.200 -0.377 0.000 0.774 254 S HN 0.473 nan 8.310 nan 0.000 0.501 255 F N 1.425 121.261 119.950 -0.191 0.000 2.743 255 F HA 0.450 4.978 4.527 0.001 0.000 0.297 255 F C 0.791 176.470 175.800 -0.201 0.000 1.131 255 F CA -0.223 57.646 58.000 -0.219 0.000 1.426 255 F CB 0.007 38.732 39.000 -0.458 0.000 1.116 255 F HN 0.097 nan 8.300 nan 0.000 0.583 256 L N 1.259 122.466 121.223 -0.026 0.000 2.334 256 L HA 0.450 4.790 4.340 0.001 0.000 0.272 256 L C -2.223 174.652 176.870 0.009 0.000 1.020 256 L CA -2.262 52.568 54.840 -0.015 0.000 0.812 256 L CB 1.042 43.062 42.059 -0.064 0.000 1.264 256 L HN -0.306 nan 8.230 nan 0.000 0.439 257 P HA 0.134 nan 4.420 nan 0.000 0.279 257 P C -0.475 176.856 177.300 0.051 0.000 1.276 257 P CA -0.479 62.669 63.100 0.080 0.000 0.801 257 P CB 1.073 32.862 31.700 0.149 0.000 1.127 258 Q N 0.230 120.076 119.800 0.075 0.000 2.172 258 Q HA -0.049 4.292 4.340 0.001 0.000 0.200 258 Q C 0.546 176.619 176.000 0.122 0.000 0.964 258 Q CA 1.594 57.444 55.803 0.078 0.000 0.855 258 Q CB -0.292 28.495 28.738 0.081 0.000 0.918 258 Q HN 0.695 nan 8.270 nan 0.000 0.444 259 N N -1.747 117.065 118.700 0.186 0.000 3.179 259 N HA -0.020 4.720 4.740 0.001 0.000 0.250 259 N C -0.203 175.508 175.510 0.335 0.000 1.507 259 N CA -0.360 52.866 53.050 0.293 0.000 0.883 259 N CB -0.326 38.270 38.487 0.181 0.000 1.435 259 N HN -0.223 nan 8.380 nan 0.000 0.532 260 N N -1.754 117.082 118.700 0.226 0.000 2.609 260 N HA -0.108 4.632 4.740 0.001 0.000 0.190 260 N C 0.536 176.045 175.510 -0.001 0.000 1.157 260 N CA 1.370 54.406 53.050 -0.023 0.000 0.918 260 N CB -0.747 37.571 38.487 -0.280 0.000 0.978 260 N HN 0.774 nan 8.380 nan 0.000 0.448 261 T N -4.457 110.127 114.554 0.050 0.000 3.086 261 T HA 0.236 4.586 4.350 0.001 0.000 0.250 261 T C 0.132 174.864 174.700 0.053 0.000 1.074 261 T CA -0.258 61.863 62.100 0.035 0.000 0.988 261 T CB 0.122 69.011 68.868 0.035 0.000 0.988 261 T HN 0.196 nan 8.240 nan 0.000 0.530 262 E N 0.341 120.590 120.200 0.082 0.000 2.359 262 E HA 0.549 4.900 4.350 0.001 0.000 0.266 262 E C -1.110 175.556 176.600 0.112 0.000 0.920 262 E CA -0.899 55.554 56.400 0.088 0.000 0.788 262 E CB 2.126 31.879 29.700 0.088 0.000 1.279 262 E HN 0.322 nan 8.360 nan 0.000 0.438 263 E N 0.491 120.759 120.200 0.114 0.000 2.202 263 E HA 0.555 4.905 4.350 0.001 0.000 0.272 263 E C -1.074 175.623 176.600 0.161 0.000 0.951 263 E CA -0.797 55.692 56.400 0.148 0.000 0.813 263 E CB 1.278 31.080 29.700 0.170 0.000 1.151 263 E HN 0.563 nan 8.360 nan 0.000 0.398 264 A N 2.412 125.340 122.820 0.179 0.000 2.498 264 A HA 0.148 4.469 4.320 0.001 0.000 0.239 264 A C -0.007 177.714 177.584 0.229 0.000 1.068 264 A CA -0.035 52.101 52.037 0.165 0.000 0.766 264 A CB 0.262 19.349 19.000 0.146 0.000 1.003 264 A HN 0.594 nan 8.150 nan 0.000 0.497 265 S N 1.347 117.147 115.700 0.167 0.000 2.562 265 S HA 0.369 4.840 4.470 0.001 0.000 0.281 265 S C -0.045 174.752 174.600 0.330 0.000 1.333 265 S CA -0.188 58.124 58.200 0.186 0.000 1.052 265 S CB -0.048 63.204 63.200 0.086 0.000 0.884 265 S HN 0.385 nan 8.310 nan 0.000 0.506 266 F N 1.707 121.679 119.950 0.036 0.000 2.506 266 F HA 0.307 4.835 4.527 0.001 0.000 0.351 266 F C 0.534 176.348 175.800 0.025 0.000 1.136 266 F CA -0.974 57.054 58.000 0.046 0.000 1.298 266 F CB 0.094 39.129 39.000 0.059 0.000 1.145 266 F HN 0.121 nan 8.300 nan 0.000 0.593 267 V N 2.625 122.645 119.914 0.176 0.000 2.638 267 V HA 0.247 4.367 4.120 0.001 0.000 0.306 267 V C -0.084 176.084 176.094 0.123 0.000 1.052 267 V CA -1.510 60.841 62.300 0.085 0.000 0.885 267 V CB 1.660 33.458 31.823 -0.041 0.000 0.999 267 V HN 0.770 nan 8.190 nan 0.000 0.424 268 N N 4.025 122.797 118.700 0.119 0.000 2.696 268 N HA -0.131 4.610 4.740 0.001 0.000 0.271 268 N C -2.171 173.569 175.510 0.382 0.000 0.997 268 N CA 0.278 53.439 53.050 0.184 0.000 0.801 268 N CB -0.211 38.301 38.487 0.042 0.000 0.913 268 N HN 0.485 nan 8.380 nan 0.000 0.557 269 P HA 0.055 nan 4.420 nan 0.000 0.267 269 P C -0.566 176.862 177.300 0.213 0.000 1.205 269 P CA 0.059 63.301 63.100 0.237 0.000 0.765 269 P CB 0.611 32.439 31.700 0.212 0.000 0.828 270 N N 3.278 121.971 118.700 -0.010 0.000 2.469 270 N HA 0.116 4.856 4.740 0.001 0.000 0.253 270 N C 0.129 175.536 175.510 -0.172 0.000 0.970 270 N CA -0.314 52.557 53.050 -0.299 0.000 0.940 270 N CB 0.061 37.928 38.487 -1.033 0.000 1.128 270 N HN 0.250 nan 8.380 nan 0.000 0.503 271 N N 1.434 120.084 118.700 -0.084 0.000 2.398 271 N HA 0.012 4.752 4.740 0.001 0.000 0.188 271 N C -0.884 174.588 175.510 -0.063 0.000 1.122 271 N CA -0.228 52.797 53.050 -0.042 0.000 0.866 271 N CB 0.384 38.878 38.487 0.011 0.000 0.970 271 N HN 0.522 nan 8.380 nan 0.000 0.462 272 D N 0.585 120.919 120.400 -0.111 0.000 2.424 272 D HA 0.021 4.661 4.640 0.001 0.000 0.244 272 D C 0.842 177.091 176.300 -0.086 0.000 1.134 272 D CA 0.221 54.164 54.000 -0.094 0.000 0.881 272 D CB 1.484 42.212 40.800 -0.121 0.000 1.191 272 D HN -0.017 nan 8.370 nan 0.000 0.445 273 V N -1.102 118.778 119.914 -0.058 0.000 3.172 273 V HA 0.209 4.329 4.120 0.001 0.000 0.343 273 V C 0.372 176.440 176.094 -0.045 0.000 1.429 273 V CA -0.633 61.638 62.300 -0.049 0.000 1.149 273 V CB -0.093 31.709 31.823 -0.035 0.000 1.106 273 V HN 0.234 nan 8.190 nan 0.000 0.526 274 S N 3.158 118.831 115.700 -0.046 0.000 2.566 274 S HA 0.363 4.833 4.470 0.001 0.000 0.280 274 S C -1.912 172.661 174.600 -0.044 0.000 1.343 274 S CA 0.078 58.253 58.200 -0.041 0.000 1.036 274 S CB 0.298 63.476 63.200 -0.037 0.000 0.866 274 S HN 0.506 nan 8.310 nan 0.000 0.526 275 P HA 0.229 nan 4.420 nan 0.000 0.270 275 P C -0.506 176.763 177.300 -0.051 0.000 1.223 275 P CA -0.311 62.755 63.100 -0.057 0.000 0.785 275 P CB 0.376 32.038 31.700 -0.063 0.000 0.923 276 N N 0.505 119.171 118.700 -0.058 0.000 2.577 276 N HA 0.071 4.812 4.740 0.001 0.000 0.275 276 N C 0.596 176.065 175.510 -0.068 0.000 1.091 276 N CA -0.175 52.846 53.050 -0.047 0.000 0.843 276 N CB 0.629 39.100 38.487 -0.027 0.000 1.295 276 N HN 0.304 nan 8.380 nan 0.000 0.530 277 T N -0.232 114.282 114.554 -0.068 0.000 2.977 277 T HA -0.087 4.263 4.350 0.001 0.000 0.271 277 T C 1.024 175.677 174.700 -0.078 0.000 1.105 277 T CA 1.091 63.139 62.100 -0.085 0.000 1.116 277 T CB -0.060 68.767 68.868 -0.069 0.000 0.878 277 T HN 0.520 nan 8.240 nan 0.000 0.509 278 E N 1.038 121.209 120.200 -0.049 0.000 2.204 278 E HA -0.028 4.322 4.350 0.001 0.000 0.195 278 E C 2.020 178.600 176.600 -0.033 0.000 0.990 278 E CA 0.911 57.294 56.400 -0.029 0.000 0.821 278 E CB -0.445 29.253 29.700 -0.003 0.000 0.750 278 E HN 0.505 nan 8.360 nan 0.000 0.477 279 L N 0.615 121.808 121.223 -0.050 0.000 2.187 279 L HA -0.184 4.156 4.340 0.001 0.000 0.213 279 L C 2.366 179.140 176.870 -0.160 0.000 1.100 279 L CA 1.092 55.908 54.840 -0.040 0.000 0.765 279 L CB -0.219 41.802 42.059 -0.063 0.000 0.904 279 L HN 0.059 nan 8.230 nan 0.000 0.437 280 R N -0.377 119.990 120.500 -0.222 0.000 2.189 280 R HA -0.104 4.237 4.340 0.001 0.000 0.223 280 R C 1.147 177.373 176.300 -0.124 0.000 1.092 280 R CA 1.058 57.007 56.100 -0.252 0.000 0.989 280 R CB -0.153 30.023 30.300 -0.207 0.000 0.876 280 R HN 0.415 nan 8.270 nan 0.000 0.457 281 D N 0.037 120.393 120.400 -0.073 0.000 2.367 281 D HA 0.064 4.704 4.640 0.001 0.000 0.207 281 D C 1.751 178.029 176.300 -0.037 0.000 1.034 281 D CA 0.343 54.316 54.000 -0.044 0.000 0.861 281 D CB 0.309 41.090 40.800 -0.031 0.000 0.943 281 D HN 0.195 nan 8.370 nan 0.000 0.515 282 I N 0.821 121.375 120.570 -0.027 0.000 2.179 282 I HA -0.145 4.026 4.170 0.001 0.000 0.242 282 I C 0.828 176.796 176.117 -0.249 0.000 1.088 282 I CA 0.796 62.062 61.300 -0.056 0.000 1.357 282 I CB 0.079 38.084 38.000 0.007 0.000 1.051 282 I HN -0.228 nan 8.210 nan 0.000 0.409 283 V N 3.265 122.986 119.914 -0.322 0.000 2.389 283 V HA 0.170 4.290 4.120 0.001 0.000 0.264 283 V C -2.117 173.842 176.094 -0.226 0.000 1.049 283 V CA -1.398 60.530 62.300 -0.620 0.000 0.932 283 V CB 0.189 31.741 31.823 -0.452 0.000 1.011 283 V HN 0.069 nan 8.190 nan 0.000 0.475 284 P HA 0.180 nan 4.420 nan 0.000 0.268 284 P C 0.971 178.270 177.300 -0.003 0.000 1.205 284 P CA -0.280 62.804 63.100 -0.026 0.000 0.771 284 P CB 0.652 32.371 31.700 0.032 0.000 0.858 285 I N 0.429 121.003 120.570 0.007 0.000 2.493 285 I HA -0.097 4.074 4.170 0.001 0.000 0.254 285 I C 0.871 177.005 176.117 0.029 0.000 1.160 285 I CA 1.305 62.617 61.300 0.020 0.000 1.445 285 I CB -0.866 37.145 38.000 0.018 0.000 1.086 285 I HN 0.408 nan 8.210 nan 0.000 0.433 286 D N 1.430 121.847 120.400 0.028 0.000 2.338 286 D HA 0.096 4.736 4.640 0.001 0.000 0.255 286 D C 1.433 177.758 176.300 0.041 0.000 1.237 286 D CA 0.194 54.213 54.000 0.033 0.000 0.883 286 D CB 1.259 42.077 40.800 0.029 0.000 1.087 286 D HN 0.198 nan 8.370 nan 0.000 0.485 287 G N 3.744 112.568 108.800 0.040 0.000 2.498 287 G HA2 -0.240 3.720 3.960 0.001 0.000 0.219 287 G HA3 -0.240 3.720 3.960 0.001 0.000 0.219 287 G C 1.288 176.206 174.900 0.031 0.000 1.119 287 G CA 0.388 45.510 45.100 0.036 0.000 0.766 287 G HN 0.491 nan 8.290 nan 0.000 0.552 288 K N -0.122 120.296 120.400 0.031 0.000 2.459 288 K HA 0.104 4.424 4.320 0.001 0.000 0.193 288 K C 0.434 177.049 176.600 0.024 0.000 1.030 288 K CA 0.324 56.624 56.287 0.022 0.000 1.026 288 K CB 0.262 32.774 32.500 0.020 0.000 0.809 288 K HN 0.178 nan 8.250 nan 0.000 0.504 289 K N 0.869 121.295 120.400 0.043 0.000 2.185 289 K HA 0.257 4.577 4.320 0.001 0.000 0.269 289 K C 0.224 176.886 176.600 0.102 0.000 0.987 289 K CA -0.621 55.701 56.287 0.058 0.000 0.865 289 K CB 1.893 34.430 32.500 0.061 0.000 1.090 289 K HN 0.026 nan 8.250 nan 0.000 0.450 290 G N 1.578 110.422 108.800 0.073 0.000 2.532 290 G HA2 0.566 4.526 3.960 0.001 0.000 0.291 290 G HA3 0.566 4.526 3.960 0.001 0.000 0.291 290 G C -1.015 173.996 174.900 0.185 0.000 1.349 290 G CA -0.260 44.868 45.100 0.047 0.000 1.038 290 G HN 0.693 nan 8.290 nan 0.000 0.518 291 Y N -3.376 116.906 120.300 -0.030 0.000 2.814 291 Y HA 0.527 5.078 4.550 0.001 0.000 0.348 291 Y C -1.694 174.187 175.900 -0.030 0.000 1.245 291 Y CA -1.454 56.634 58.100 -0.020 0.000 1.086 291 Y CB 1.178 39.633 38.460 -0.009 0.000 1.373 291 Y HN 0.436 nan 8.280 nan 0.000 0.451 292 D N 1.153 121.606 120.400 0.088 0.000 2.373 292 D HA 0.161 4.801 4.640 0.001 0.000 0.227 292 D C 0.539 176.880 176.300 0.069 0.000 1.091 292 D CA -0.066 53.923 54.000 -0.018 0.000 0.840 292 D CB 2.244 43.062 40.800 0.029 0.000 1.060 292 D HN 0.640 nan 8.370 nan 0.000 0.502 293 V N 5.447 125.308 119.914 -0.088 0.000 2.828 293 V HA -0.191 3.929 4.120 0.001 0.000 0.260 293 V C 2.081 178.165 176.094 -0.017 0.000 1.101 293 V CA 1.670 63.984 62.300 0.022 0.000 1.123 293 V CB -0.301 31.456 31.823 -0.111 0.000 0.704 293 V HN 0.490 nan 8.190 nan 0.000 0.493 294 R N -0.323 120.141 120.500 -0.061 0.000 2.237 294 R HA -0.086 4.254 4.340 0.001 0.000 0.219 294 R C 1.756 178.046 176.300 -0.017 0.000 1.080 294 R CA 1.308 57.330 56.100 -0.131 0.000 0.995 294 R CB -0.224 30.019 30.300 -0.095 0.000 0.875 294 R HN 0.532 nan 8.270 nan 0.000 0.462 295 D N -0.155 120.285 120.400 0.067 0.000 2.183 295 D HA -0.087 4.553 4.640 0.001 0.000 0.203 295 D C 1.803 178.159 176.300 0.093 0.000 0.969 295 D CA 0.859 54.920 54.000 0.101 0.000 0.842 295 D CB 0.115 40.986 40.800 0.118 0.000 0.957 295 D HN 0.005 nan 8.370 nan 0.000 0.484 296 V N 1.045 121.010 119.914 0.085 0.000 2.323 296 V HA -0.162 3.958 4.120 0.001 0.000 0.244 296 V C 2.523 178.645 176.094 0.048 0.000 1.041 296 V CA 0.903 63.257 62.300 0.090 0.000 1.025 296 V CB -0.284 31.575 31.823 0.060 0.000 0.656 296 V HN 0.155 nan 8.190 nan 0.000 0.451 297 I N 0.785 121.334 120.570 -0.036 0.000 2.208 297 I HA -0.290 3.880 4.170 0.001 0.000 0.245 297 I C 2.698 178.820 176.117 0.008 0.000 1.097 297 I CA 1.625 62.870 61.300 -0.091 0.000 1.363 297 I CB -0.614 37.181 38.000 -0.340 0.000 1.051 297 I HN 0.304 nan 8.210 nan 0.000 0.413 298 A N 0.486 123.346 122.820 0.067 0.000 1.940 298 A HA -0.207 4.113 4.320 0.001 0.000 0.219 298 A C 2.185 179.854 177.584 0.141 0.000 1.176 298 A CA 1.588 53.746 52.037 0.202 0.000 0.631 298 A CB -0.307 18.834 19.000 0.236 0.000 0.814 298 A HN 0.227 nan 8.150 nan 0.000 0.446 299 K N -0.546 119.916 120.400 0.103 0.000 2.366 299 K HA 0.200 4.520 4.320 0.001 0.000 0.198 299 K C 1.521 178.160 176.600 0.065 0.000 1.044 299 K CA 0.622 56.957 56.287 0.080 0.000 0.973 299 K CB -0.225 32.322 32.500 0.078 0.000 0.767 299 K HN 0.642 nan 8.250 nan 0.000 0.475 300 I N 0.818 121.433 120.570 0.075 0.000 2.731 300 I HA -0.069 4.101 4.170 0.001 0.000 0.260 300 I C 0.944 177.094 176.117 0.056 0.000 1.138 300 I CA 0.070 61.409 61.300 0.065 0.000 1.461 300 I CB 0.252 38.296 38.000 0.074 0.000 1.128 300 I HN -0.197 nan 8.210 nan 0.000 0.438 301 V N -1.136 118.829 119.914 0.086 0.000 2.743 301 V HA 0.308 4.428 4.120 0.001 0.000 0.301 301 V C -0.372 175.763 176.094 0.069 0.000 1.057 301 V CA -1.008 61.356 62.300 0.106 0.000 1.006 301 V CB 0.798 32.734 31.823 0.189 0.000 1.024 301 V HN 0.007 nan 8.190 nan 0.000 0.473 302 D N 3.087 123.506 120.400 0.030 0.000 2.531 302 D HA 0.045 4.686 4.640 0.001 0.000 0.239 302 D C 0.357 176.676 176.300 0.032 0.000 1.144 302 D CA 1.273 55.179 54.000 -0.155 0.000 0.869 302 D CB -0.282 40.470 40.800 -0.079 0.000 1.160 302 D HN 0.890 nan 8.370 nan 0.000 0.484 303 W N 1.356 122.701 121.300 0.076 0.000 2.902 303 W HA -0.279 4.381 4.660 0.001 0.000 0.278 303 W C 1.605 178.173 176.519 0.083 0.000 1.066 303 W CA 0.224 57.609 57.345 0.067 0.000 0.570 303 W CB -1.925 27.567 29.460 0.054 0.000 2.092 303 W HN 0.780 nan 8.180 nan 0.000 1.423 304 G N -0.141 108.810 108.800 0.251 0.000 2.162 304 G HA2 -0.373 3.588 3.960 0.001 0.000 0.260 304 G HA3 -0.373 3.588 3.960 0.001 0.000 0.260 304 G C -0.092 174.980 174.900 0.287 0.000 0.976 304 G CA 0.205 45.455 45.100 0.249 0.000 0.655 304 G HN 0.498 nan 8.290 nan 0.000 0.533 305 D N 0.303 120.888 120.400 0.308 0.000 2.312 305 D HA 0.578 5.218 4.640 0.001 0.000 0.252 305 D C 0.137 176.647 176.300 0.351 0.000 1.150 305 D CA -0.221 53.927 54.000 0.246 0.000 0.870 305 D CB 0.129 41.092 40.800 0.272 0.000 1.153 305 D HN 0.602 nan 8.370 nan 0.000 0.457 306 Y N 1.652 122.083 120.300 0.218 0.000 2.552 306 Y HA 0.509 5.060 4.550 0.001 0.000 0.337 306 Y C -2.032 173.970 175.900 0.171 0.000 1.094 306 Y CA -1.581 56.634 58.100 0.192 0.000 1.028 306 Y CB 0.759 39.286 38.460 0.111 0.000 1.321 306 Y HN 0.225 nan 8.280 nan 0.000 0.456 307 L N 3.137 124.519 121.223 0.265 0.000 2.301 307 L HA 0.480 4.821 4.340 0.001 0.000 0.278 307 L C -0.280 176.748 176.870 0.263 0.000 1.022 307 L CA -0.458 54.523 54.840 0.236 0.000 0.854 307 L CB 1.020 43.230 42.059 0.252 0.000 1.226 307 L HN 0.855 nan 8.230 nan 0.000 0.429 308 E N 3.188 123.558 120.200 0.283 0.000 2.360 308 E HA 0.350 4.701 4.350 0.001 0.000 0.269 308 E C -1.146 175.473 176.600 0.031 0.000 1.022 308 E CA -0.418 56.064 56.400 0.136 0.000 0.887 308 E CB 0.988 30.784 29.700 0.160 0.000 0.990 308 E HN 0.522 nan 8.360 nan 0.000 0.426 309 V N 5.609 125.392 119.914 -0.218 0.000 2.472 309 V HA 0.153 4.273 4.120 0.001 0.000 0.290 309 V C 0.176 176.059 176.094 -0.352 0.000 1.037 309 V CA -0.618 61.440 62.300 -0.404 0.000 0.908 309 V CB 1.448 33.100 31.823 -0.285 0.000 0.985 309 V HN 0.908 nan 8.190 nan 0.000 0.454 310 K N 2.090 122.247 120.400 -0.405 0.000 3.071 310 K HA -0.277 4.044 4.320 0.001 0.000 0.262 310 K C 1.398 177.923 176.600 -0.124 0.000 0.977 310 K CA 0.523 56.669 56.287 -0.234 0.000 0.721 310 K CB -1.278 31.131 32.500 -0.152 0.000 1.293 310 K HN 0.944 nan 8.250 nan 0.000 0.475 311 A N 0.050 122.796 122.820 -0.123 0.000 1.978 311 A HA -0.113 4.208 4.320 0.001 0.000 0.220 311 A C 2.053 179.621 177.584 -0.026 0.000 1.170 311 A CA 1.969 53.975 52.037 -0.052 0.000 0.636 311 A CB -0.143 18.859 19.000 0.003 0.000 0.810 311 A HN 0.606 nan 8.150 nan 0.000 0.448 312 G N -3.203 105.591 108.800 -0.010 0.000 3.284 312 G HA2 0.353 4.313 3.960 0.001 0.000 0.236 312 G HA3 0.353 4.313 3.960 0.001 0.000 0.236 312 G C -0.086 174.850 174.900 0.061 0.000 1.158 312 G CA -0.008 45.099 45.100 0.013 0.000 0.774 312 G HN 0.378 nan 8.290 nan 0.000 0.545 313 Y N 0.633 120.871 120.300 -0.104 0.000 2.429 313 Y HA 0.492 5.042 4.550 0.001 0.000 0.342 313 Y C 0.378 176.219 175.900 -0.098 0.000 1.004 313 Y CA -1.274 56.765 58.100 -0.102 0.000 1.075 313 Y CB 1.950 40.334 38.460 -0.127 0.000 1.214 313 Y HN 0.338 nan 8.280 nan 0.000 0.455 314 A N 3.340 125.745 122.820 -0.693 0.000 2.154 314 A HA -0.258 4.062 4.320 0.001 0.000 0.274 314 A C 1.134 178.557 177.584 -0.269 0.000 1.373 314 A CA 1.364 53.078 52.037 -0.537 0.000 0.751 314 A CB -2.222 16.389 19.000 -0.648 0.000 1.149 314 A HN 1.262 nan 8.150 nan 0.000 0.337 315 T N -1.017 113.419 114.554 -0.197 0.000 3.155 315 T HA -0.091 4.259 4.350 0.001 0.000 0.264 315 T C 1.224 175.836 174.700 -0.148 0.000 1.160 315 T CA 0.940 62.955 62.100 -0.142 0.000 1.075 315 T CB -0.537 68.267 68.868 -0.106 0.000 0.921 315 T HN 0.911 nan 8.240 nan 0.000 0.533 316 N N 1.056 119.659 118.700 -0.162 0.000 2.521 316 N HA 0.039 4.780 4.740 0.001 0.000 0.188 316 N C 0.353 175.770 175.510 -0.156 0.000 1.146 316 N CA 0.024 52.980 53.050 -0.156 0.000 0.893 316 N CB 0.057 38.456 38.487 -0.147 0.000 0.975 316 N HN 0.391 nan 8.380 nan 0.000 0.451 317 L N 1.088 122.220 121.223 -0.152 0.000 2.476 317 L HA 0.435 4.776 4.340 0.001 0.000 0.269 317 L C -1.559 175.219 176.870 -0.153 0.000 0.965 317 L CA -0.670 54.087 54.840 -0.138 0.000 0.845 317 L CB 2.130 44.126 42.059 -0.105 0.000 1.259 317 L HN -0.299 nan 8.230 nan 0.000 0.403 318 V N 3.698 123.512 119.914 -0.166 0.000 2.439 318 V HA 0.627 4.747 4.120 0.001 0.000 0.282 318 V C 0.327 176.256 176.094 -0.275 0.000 1.039 318 V CA -0.289 61.890 62.300 -0.201 0.000 0.913 318 V CB 1.972 33.678 31.823 -0.195 0.000 0.983 318 V HN 0.888 nan 8.190 nan 0.000 0.460 319 T N 1.822 116.130 114.554 -0.410 0.000 2.841 319 T HA 0.882 5.232 4.350 0.001 0.000 0.285 319 T C -0.583 173.634 174.700 -0.806 0.000 0.991 319 T CA -0.515 61.100 62.100 -0.808 0.000 0.966 319 T CB 1.758 69.910 68.868 -1.193 0.000 0.962 319 T HN 1.113 nan 8.240 nan 0.000 0.438 320 A N 2.797 125.200 122.820 -0.696 0.000 2.574 320 A HA 0.784 5.104 4.320 0.001 0.000 0.297 320 A C -1.242 176.240 177.584 -0.169 0.000 1.062 320 A CA -1.051 50.775 52.037 -0.351 0.000 0.686 320 A CB 1.189 20.127 19.000 -0.104 0.000 1.285 320 A HN 0.770 nan 8.150 nan 0.000 0.403 321 F N 0.788 120.707 119.950 -0.052 0.000 2.379 321 F HA 0.698 5.225 4.527 0.001 0.000 0.332 321 F C 0.901 176.490 175.800 -0.352 0.000 1.096 321 F CA 0.845 58.652 58.000 -0.322 0.000 1.105 321 F CB 1.938 40.303 39.000 -1.058 0.000 1.189 321 F HN 0.964 nan 8.300 nan 0.000 0.515 322 A N 2.706 125.599 122.820 0.123 0.000 2.467 322 A HA 0.851 5.171 4.320 0.001 0.000 0.301 322 A C -1.314 176.548 177.584 0.465 0.000 1.126 322 A CA -1.053 51.214 52.037 0.384 0.000 0.632 322 A CB 1.666 20.843 19.000 0.296 0.000 1.331 322 A HN 0.712 nan 8.150 nan 0.000 0.482 323 R N -0.951 119.771 120.500 0.369 0.000 2.771 323 R HA 0.691 5.031 4.340 0.001 0.000 0.274 323 R C -1.888 174.484 176.300 0.119 0.000 0.987 323 R CA -0.790 55.447 56.100 0.229 0.000 0.908 323 R CB 2.465 32.887 30.300 0.203 0.000 1.213 323 R HN 0.444 nan 8.270 nan 0.000 0.468 324 V N 2.106 122.036 119.914 0.027 0.000 2.482 324 V HA 0.210 4.330 4.120 0.001 0.000 0.295 324 V C -0.105 175.945 176.094 -0.073 0.000 1.026 324 V CA -0.834 61.464 62.300 -0.004 0.000 0.856 324 V CB 1.248 33.085 31.823 0.024 0.000 1.001 324 V HN 0.951 nan 8.190 nan 0.000 0.424 325 N N 3.916 122.579 118.700 -0.062 0.000 2.735 325 N HA -0.240 4.500 4.740 0.001 0.000 0.248 325 N C 1.139 176.590 175.510 -0.098 0.000 1.083 325 N CA 0.696 53.718 53.050 -0.046 0.000 0.703 325 N CB -0.795 37.689 38.487 -0.005 0.000 1.005 325 N HN 1.394 nan 8.380 nan 0.000 0.550 326 G N -0.144 108.595 108.800 -0.102 0.000 2.253 326 G HA2 -0.397 3.563 3.960 0.001 0.000 0.251 326 G HA3 -0.397 3.563 3.960 0.001 0.000 0.251 326 G C 0.128 174.708 174.900 -0.533 0.000 0.998 326 G CA 0.472 45.484 45.100 -0.147 0.000 0.621 326 G HN 0.560 nan 8.290 nan 0.000 0.524 327 R N 1.387 121.383 120.500 -0.840 0.000 2.340 327 R HA 0.525 4.865 4.340 0.001 0.000 0.300 327 R C 0.123 176.322 176.300 -0.169 0.000 1.069 327 R CA 0.048 55.649 56.100 -0.831 0.000 0.984 327 R CB 0.343 30.213 30.300 -0.717 0.000 1.003 327 R HN 0.176 nan 8.270 nan 0.000 0.459 328 S N 2.756 118.466 115.700 0.017 0.000 2.549 328 S HA 0.209 4.680 4.470 0.001 0.000 0.283 328 S C -0.269 174.467 174.600 0.226 0.000 1.320 328 S CA -0.515 57.832 58.200 0.245 0.000 1.058 328 S CB 0.934 64.310 63.200 0.294 0.000 0.882 328 S HN 0.480 nan 8.310 nan 0.000 0.498 329 V N 0.242 120.333 119.914 0.295 0.000 3.114 329 V HA 1.001 5.122 4.120 0.001 0.000 0.308 329 V C -0.023 176.285 176.094 0.355 0.000 1.168 329 V CA -1.056 61.401 62.300 0.263 0.000 1.015 329 V CB 1.771 33.711 31.823 0.194 0.000 1.050 329 V HN 0.834 nan 8.190 nan 0.000 0.433 330 G N 2.184 111.170 108.800 0.310 0.000 2.422 330 G HA2 0.717 4.677 3.960 0.001 0.000 0.317 330 G HA3 0.717 4.677 3.960 0.001 0.000 0.317 330 G C -0.937 174.195 174.900 0.386 0.000 1.210 330 G CA -0.701 44.626 45.100 0.379 0.000 0.930 330 G HN 0.793 nan 8.290 nan 0.000 0.468 331 I N 2.051 122.803 120.570 0.304 0.000 2.359 331 I HA 0.324 4.495 4.170 0.001 0.000 0.294 331 I C -0.417 175.742 176.117 0.070 0.000 0.987 331 I CA -0.910 60.477 61.300 0.145 0.000 1.225 331 I CB 2.168 40.183 38.000 0.025 0.000 1.366 331 I HN 0.032 nan 8.210 nan 0.000 0.466 332 V N 5.749 125.727 119.914 0.107 0.000 2.409 332 V HA 0.783 4.903 4.120 0.001 0.000 0.291 332 V C -0.094 176.000 176.094 -0.000 0.000 1.020 332 V CA -0.410 61.926 62.300 0.060 0.000 0.848 332 V CB 1.407 33.374 31.823 0.239 0.000 0.990 332 V HN 0.842 nan 8.190 nan 0.000 0.430 333 A N 4.105 126.881 122.820 -0.073 0.000 2.455 333 A HA 0.715 5.036 4.320 0.001 0.000 0.300 333 A C -0.564 176.948 177.584 -0.121 0.000 1.040 333 A CA -0.832 51.148 52.037 -0.095 0.000 0.697 333 A CB 1.076 20.004 19.000 -0.120 0.000 1.265 333 A HN 0.825 nan 8.150 nan 0.000 0.407 334 N N 1.001 119.626 118.700 -0.126 0.000 2.508 334 N HA 0.378 5.119 4.740 0.001 0.000 0.264 334 N C -0.231 175.153 175.510 -0.209 0.000 1.216 334 N CA 0.053 53.009 53.050 -0.157 0.000 0.943 334 N CB 0.538 38.928 38.487 -0.160 0.000 1.113 334 N HN 0.611 nan 8.380 nan 0.000 0.447 335 Q N 2.295 121.960 119.800 -0.226 0.000 2.506 335 Q HA 0.342 4.683 4.340 0.001 0.000 0.242 335 Q C -2.285 173.526 176.000 -0.315 0.000 1.060 335 Q CA -2.205 53.432 55.803 -0.276 0.000 0.826 335 Q CB 1.340 29.953 28.738 -0.207 0.000 1.169 335 Q HN 0.362 nan 8.270 nan 0.000 0.521 336 P HA -0.138 nan 4.420 nan 0.000 0.221 336 P C 0.531 177.653 177.300 -0.297 0.000 1.145 336 P CA 1.204 64.065 63.100 -0.399 0.000 0.795 336 P CB 0.313 31.669 31.700 -0.572 0.000 0.775 337 S N -2.324 113.189 115.700 -0.311 0.000 2.561 337 S HA 0.057 4.527 4.470 0.001 0.000 0.225 337 S C 0.676 175.193 174.600 -0.138 0.000 0.977 337 S CA 0.088 58.177 58.200 -0.186 0.000 0.926 337 S CB -0.632 62.473 63.200 -0.159 0.000 0.769 337 S HN -0.108 nan 8.310 nan 0.000 0.533 338 V N 2.446 122.268 119.914 -0.153 0.000 2.409 338 V HA 0.405 4.525 4.120 0.001 0.000 0.290 338 V C -0.010 176.012 176.094 -0.121 0.000 1.017 338 V CA -0.793 61.433 62.300 -0.123 0.000 0.841 338 V CB 0.737 32.485 31.823 -0.126 0.000 1.003 338 V HN 0.529 nan 8.190 nan 0.000 0.426 339 M N 2.998 122.540 119.600 -0.098 0.000 2.576 339 M HA -0.258 4.222 4.480 0.001 0.000 0.200 339 M C 0.904 177.147 176.300 -0.094 0.000 0.487 339 M CA 0.885 56.133 55.300 -0.088 0.000 0.553 339 M CB -1.974 30.572 32.600 -0.091 0.000 2.042 339 M HN 0.802 nan 8.290 nan 0.000 0.758 340 S N -2.064 113.576 115.700 -0.101 0.000 3.270 340 S HA -0.177 4.293 4.470 0.001 0.000 0.293 340 S C 1.259 175.773 174.600 -0.142 0.000 1.278 340 S CA 1.508 59.644 58.200 -0.107 0.000 1.038 340 S CB -1.599 61.554 63.200 -0.078 0.000 1.218 340 S HN 1.807 nan 8.310 nan 0.000 0.659 341 G N -0.937 107.767 108.800 -0.159 0.000 2.162 341 G HA2 -0.370 3.591 3.960 0.001 0.000 0.260 341 G HA3 -0.370 3.591 3.960 0.001 0.000 0.260 341 G C 0.373 175.171 174.900 -0.170 0.000 0.976 341 G CA 0.101 45.092 45.100 -0.181 0.000 0.655 341 G HN 1.005 nan 8.290 nan 0.000 0.533 342 C N 0.676 119.890 119.300 -0.144 0.000 2.665 342 C HA 0.467 4.927 4.460 0.001 0.000 0.416 342 C C 1.464 176.366 174.990 -0.147 0.000 1.305 342 C CA -0.254 58.678 59.018 -0.144 0.000 1.903 342 C CB -0.304 27.385 27.740 -0.084 0.000 2.704 342 C HN 0.489 nan 8.230 nan 0.000 0.629 343 L N 3.924 125.023 121.223 -0.206 0.000 2.379 343 L HA 0.500 4.840 4.340 0.001 0.000 0.269 343 L C 0.168 177.078 176.870 0.068 0.000 1.084 343 L CA 0.106 54.875 54.840 -0.118 0.000 0.802 343 L CB 0.932 42.846 42.059 -0.241 0.000 1.175 343 L HN 0.789 nan 8.230 nan 0.000 0.448 344 D N 0.466 120.927 120.400 0.103 0.000 2.812 344 D HA 0.242 4.883 4.640 0.001 0.000 0.318 344 D C 0.773 177.118 176.300 0.076 0.000 1.234 344 D CA -0.664 53.401 54.000 0.107 0.000 0.989 344 D CB 0.715 41.512 40.800 -0.005 0.000 1.442 344 D HN 0.291 nan 8.370 nan 0.000 0.537 345 I N 0.036 120.597 120.570 -0.015 0.000 2.118 345 I HA -0.299 3.871 4.170 0.001 0.000 0.241 345 I C 1.777 177.866 176.117 -0.045 0.000 1.070 345 I CA 1.469 62.709 61.300 -0.100 0.000 1.327 345 I CB -0.464 37.357 38.000 -0.297 0.000 1.034 345 I HN 0.298 nan 8.210 nan 0.000 0.405 346 N N 1.033 119.683 118.700 -0.082 0.000 2.084 346 N HA -0.134 4.606 4.740 0.001 0.000 0.190 346 N C 1.853 177.325 175.510 -0.064 0.000 1.030 346 N CA 1.674 54.674 53.050 -0.083 0.000 0.849 346 N CB -0.567 37.700 38.487 -0.366 0.000 1.012 346 N HN 0.379 nan 8.380 nan 0.000 0.423 347 A N 0.360 123.119 122.820 -0.102 0.000 1.972 347 A HA -0.064 4.256 4.320 0.001 0.000 0.219 347 A C 2.438 180.056 177.584 0.056 0.000 1.169 347 A CA 1.554 53.557 52.037 -0.055 0.000 0.635 347 A CB -0.636 18.321 19.000 -0.072 0.000 0.810 347 A HN 0.249 nan 8.150 nan 0.000 0.446 348 S N 0.203 115.969 115.700 0.109 0.000 2.356 348 S HA -0.155 4.316 4.470 0.001 0.000 0.223 348 S C 1.641 176.347 174.600 0.176 0.000 1.032 348 S CA 1.440 59.741 58.200 0.169 0.000 1.005 348 S CB -0.392 62.930 63.200 0.204 0.000 0.867 348 S HN 0.617 nan 8.310 nan 0.000 0.449 349 D N 1.023 121.541 120.400 0.197 0.000 2.097 349 D HA -0.096 4.544 4.640 0.001 0.000 0.195 349 D C 1.941 178.356 176.300 0.192 0.000 0.989 349 D CA 0.989 55.121 54.000 0.219 0.000 0.827 349 D CB -0.300 40.648 40.800 0.247 0.000 0.966 349 D HN 0.374 nan 8.370 nan 0.000 0.456 350 K N 0.829 121.344 120.400 0.191 0.000 2.032 350 K HA -0.158 4.163 4.320 0.001 0.000 0.209 350 K C 2.013 178.686 176.600 0.122 0.000 1.048 350 K CA 1.539 57.917 56.287 0.152 0.000 0.927 350 K CB -0.054 32.528 32.500 0.136 0.000 0.712 350 K HN 0.027 nan 8.250 nan 0.000 0.441 351 A N 0.996 123.883 122.820 0.113 0.000 1.855 351 A HA -0.044 4.276 4.320 0.001 0.000 0.215 351 A C 2.381 180.048 177.584 0.139 0.000 1.191 351 A CA 1.790 53.901 52.037 0.123 0.000 0.613 351 A CB -0.960 18.114 19.000 0.124 0.000 0.829 351 A HN 0.503 nan 8.150 nan 0.000 0.442 352 A N -0.291 122.618 122.820 0.148 0.000 1.908 352 A HA -0.232 4.089 4.320 0.001 0.000 0.218 352 A C 2.063 179.751 177.584 0.173 0.000 1.181 352 A CA 1.963 54.105 52.037 0.174 0.000 0.627 352 A CB -0.597 18.586 19.000 0.304 0.000 0.818 352 A HN 0.703 nan 8.150 nan 0.000 0.445 353 E N -1.486 118.822 120.200 0.180 0.000 2.077 353 E HA -0.206 4.145 4.350 0.001 0.000 0.193 353 E C 1.807 178.520 176.600 0.188 0.000 0.989 353 E CA 1.352 57.835 56.400 0.138 0.000 0.800 353 E CB -0.269 29.512 29.700 0.135 0.000 0.746 353 E HN 0.582 nan 8.360 nan 0.000 0.452 354 F N 0.867 120.852 119.950 0.058 0.000 2.146 354 F HA -0.163 4.365 4.527 0.001 0.000 0.298 354 F C 2.063 177.928 175.800 0.108 0.000 1.096 354 F CA 1.110 59.163 58.000 0.087 0.000 1.275 354 F CB -0.321 38.681 39.000 0.003 0.000 1.008 354 F HN -0.119 nan 8.300 nan 0.000 0.480 355 V N 0.620 120.569 119.914 0.058 0.000 2.287 355 V HA -0.353 3.768 4.120 0.001 0.000 0.248 355 V C 2.139 178.166 176.094 -0.112 0.000 1.053 355 V CA 2.353 64.560 62.300 -0.155 0.000 1.027 355 V CB -0.943 30.610 31.823 -0.449 0.000 0.646 355 V HN 0.321 nan 8.190 nan 0.000 0.447 356 N N -0.427 118.246 118.700 -0.045 0.000 2.104 356 N HA -0.200 4.540 4.740 0.001 0.000 0.190 356 N C 1.589 177.068 175.510 -0.052 0.000 1.024 356 N CA 1.743 54.760 53.050 -0.054 0.000 0.853 356 N CB -0.384 38.046 38.487 -0.094 0.000 1.008 356 N HN 0.521 nan 8.380 nan 0.000 0.424 357 F N 0.799 120.701 119.950 -0.079 0.000 2.075 357 F HA -0.205 4.323 4.527 0.001 0.000 0.297 357 F C 2.242 178.093 175.800 0.086 0.000 1.113 357 F CA 1.172 59.186 58.000 0.023 0.000 1.218 357 F CB -0.740 38.276 39.000 0.026 0.000 0.984 357 F HN 0.061 nan 8.300 nan 0.000 0.472 358 C N 0.547 119.816 119.300 -0.051 0.000 2.401 358 C HA -0.223 4.237 4.460 0.001 0.000 0.276 358 C C 2.573 177.482 174.990 -0.134 0.000 1.233 358 C CA 1.714 60.680 59.018 -0.088 0.000 1.753 358 C CB -1.342 26.309 27.740 -0.150 0.000 2.029 358 C HN 0.663 nan 8.230 nan 0.000 0.478 359 D N 0.448 120.764 120.400 -0.141 0.000 2.097 359 D HA -0.110 4.531 4.640 0.001 0.000 0.195 359 D C 2.202 178.368 176.300 -0.223 0.000 0.989 359 D CA 1.682 55.604 54.000 -0.129 0.000 0.827 359 D CB -0.078 40.662 40.800 -0.100 0.000 0.966 359 D HN 0.346 nan 8.370 nan 0.000 0.456 360 S N -1.025 114.462 115.700 -0.356 0.000 2.383 360 S HA -0.120 4.350 4.470 0.001 0.000 0.229 360 S C 1.123 175.211 174.600 -0.853 0.000 1.030 360 S CA 0.781 58.616 58.200 -0.609 0.000 1.002 360 S CB -0.320 62.422 63.200 -0.765 0.000 0.829 360 S HN 0.336 nan 8.310 nan 0.000 0.467 361 F N 1.703 121.436 119.950 -0.362 0.000 2.750 361 F HA 0.342 4.870 4.527 0.001 0.000 0.297 361 F C 0.459 176.185 175.800 -0.123 0.000 1.138 361 F CA -0.541 57.301 58.000 -0.264 0.000 1.346 361 F CB -0.286 38.472 39.000 -0.403 0.000 0.965 361 F HN 0.018 nan 8.300 nan 0.000 0.514 362 N N 1.092 119.776 118.700 -0.027 0.000 2.735 362 N HA -0.229 4.511 4.740 0.001 0.000 0.248 362 N C -0.473 175.090 175.510 0.088 0.000 1.083 362 N CA 0.662 53.732 53.050 0.033 0.000 0.703 362 N CB -1.729 36.791 38.487 0.055 0.000 1.005 362 N HN 0.379 nan 8.380 nan 0.000 0.550 363 I N 0.886 121.509 120.570 0.088 0.000 2.321 363 I HA 0.255 4.425 4.170 0.001 0.000 0.291 363 I C -2.013 174.176 176.117 0.120 0.000 0.998 363 I CA -1.932 59.453 61.300 0.142 0.000 1.227 363 I CB 1.355 39.485 38.000 0.216 0.000 1.368 363 I HN -0.281 nan 8.210 nan 0.000 0.466 364 P HA 0.105 nan 4.420 nan 0.000 0.267 364 P C -0.928 176.454 177.300 0.138 0.000 1.200 364 P CA 0.041 63.217 63.100 0.126 0.000 0.772 364 P CB 0.510 32.291 31.700 0.136 0.000 0.855 365 L N 2.769 124.074 121.223 0.136 0.000 2.287 365 L HA 0.420 4.761 4.340 0.001 0.000 0.287 365 L C -0.476 176.494 176.870 0.167 0.000 1.022 365 L CA -0.780 54.169 54.840 0.181 0.000 0.814 365 L CB 1.614 43.822 42.059 0.248 0.000 1.217 365 L HN 0.055 nan 8.230 nan 0.000 0.420 366 V N 3.145 123.162 119.914 0.172 0.000 2.384 366 V HA 0.369 4.490 4.120 0.001 0.000 0.287 366 V C -0.387 175.773 176.094 0.109 0.000 1.020 366 V CA -0.688 61.687 62.300 0.125 0.000 0.850 366 V CB 1.680 33.575 31.823 0.120 0.000 0.987 366 V HN 0.654 nan 8.190 nan 0.000 0.436 367 Q N 4.322 124.157 119.800 0.058 0.000 2.256 367 Q HA 0.676 5.016 4.340 0.001 0.000 0.257 367 Q C -0.967 175.020 176.000 -0.021 0.000 0.936 367 Q CA -0.128 55.688 55.803 0.021 0.000 0.903 367 Q CB 2.077 30.785 28.738 -0.051 0.000 1.263 367 Q HN 0.653 nan 8.270 nan 0.000 0.440 368 L N 2.520 123.713 121.223 -0.050 0.000 2.316 368 L HA 0.565 4.905 4.340 0.001 0.000 0.280 368 L C -0.951 175.847 176.870 -0.121 0.000 1.006 368 L CA -1.006 53.764 54.840 -0.117 0.000 0.836 368 L CB 1.289 43.272 42.059 -0.128 0.000 1.221 368 L HN 0.296 nan 8.230 nan 0.000 0.418 369 V N 1.946 121.777 119.914 -0.139 0.000 2.427 369 V HA 0.452 4.572 4.120 0.001 0.000 0.286 369 V C -0.461 175.538 176.094 -0.158 0.000 1.034 369 V CA -0.278 61.954 62.300 -0.113 0.000 0.893 369 V CB 1.779 33.581 31.823 -0.035 0.000 0.982 369 V HN 0.663 nan 8.190 nan 0.000 0.452 370 D N 3.469 123.780 120.400 -0.148 0.000 2.826 370 D HA 0.195 4.835 4.640 0.001 0.000 0.239 370 D C -1.584 174.599 176.300 -0.195 0.000 1.329 370 D CA 0.006 53.910 54.000 -0.161 0.000 0.854 370 D CB 1.525 42.284 40.800 -0.069 0.000 1.494 370 D HN 0.373 nan 8.370 nan 0.000 0.540 371 V N 4.182 123.957 119.914 -0.231 0.000 2.577 371 V HA 0.605 4.726 4.120 0.001 0.000 0.303 371 V C -2.035 173.868 176.094 -0.317 0.000 1.042 371 V CA -2.000 60.156 62.300 -0.240 0.000 0.872 371 V CB 2.657 34.360 31.823 -0.200 0.000 0.998 371 V HN 0.150 nan 8.190 nan 0.000 0.423 372 P HA 0.330 nan 4.420 nan 0.000 0.251 372 P C 0.539 177.831 177.300 -0.012 0.000 1.223 372 P CA 1.203 64.150 63.100 -0.255 0.000 0.796 372 P CB 0.568 32.175 31.700 -0.154 0.000 1.068 373 G N -0.470 108.256 108.800 -0.124 0.000 2.325 373 G HA2 0.085 4.045 3.960 0.001 0.000 0.285 373 G HA3 0.085 4.045 3.960 0.001 0.000 0.285 373 G C -1.607 173.115 174.900 -0.297 0.000 1.303 373 G CA -0.987 44.039 45.100 -0.125 0.000 0.970 373 G HN -0.037 nan 8.290 nan 0.000 0.490 374 F N -0.096 119.870 119.950 0.026 0.000 2.377 374 F HA 0.619 5.147 4.527 0.001 0.000 0.328 374 F C 0.902 176.696 175.800 -0.011 0.000 1.094 374 F CA -0.559 57.443 58.000 0.003 0.000 1.093 374 F CB 1.485 40.489 39.000 0.006 0.000 1.214 374 F HN 0.433 nan 8.300 nan 0.000 0.518 375 L N 5.234 126.545 121.223 0.146 0.000 2.534 375 L HA 0.236 4.576 4.340 0.001 0.000 0.271 375 L C -2.441 174.462 176.870 0.056 0.000 1.178 375 L CA -1.276 53.600 54.840 0.059 0.000 0.907 375 L CB -0.390 41.681 42.059 0.021 0.000 1.164 375 L HN 0.279 nan 8.230 nan 0.000 0.482 376 P HA 0.598 nan 4.420 nan 0.000 0.275 376 P C -0.717 176.569 177.300 -0.022 0.000 1.228 376 P CA -0.322 62.783 63.100 0.009 0.000 0.786 376 P CB 1.272 32.975 31.700 0.005 0.000 0.927 377 G N 0.131 108.902 108.800 -0.047 0.000 2.351 377 G HA2 0.114 4.074 3.960 0.001 0.000 0.296 377 G HA3 0.114 4.074 3.960 0.001 0.000 0.296 377 G C 0.270 175.091 174.900 -0.131 0.000 1.685 377 G CA -0.712 44.341 45.100 -0.077 0.000 0.936 377 G HN 0.241 nan 8.290 nan 0.000 0.714 378 V N 1.446 121.245 119.914 -0.192 0.000 2.332 378 V HA -0.188 3.932 4.120 0.001 0.000 0.248 378 V C 2.818 178.690 176.094 -0.371 0.000 1.055 378 V CA 2.339 64.414 62.300 -0.375 0.000 1.038 378 V CB -0.263 31.300 31.823 -0.434 0.000 0.651 378 V HN 0.702 nan 8.190 nan 0.000 0.450 379 Q N -0.645 119.048 119.800 -0.178 0.000 2.291 379 Q HA -0.152 4.189 4.340 0.001 0.000 0.205 379 Q C 2.263 178.245 176.000 -0.029 0.000 0.970 379 Q CA 1.083 56.854 55.803 -0.055 0.000 0.876 379 Q CB -0.320 28.405 28.738 -0.022 0.000 0.935 379 Q HN 0.628 nan 8.270 nan 0.000 0.455 380 Q N 0.254 120.018 119.800 -0.060 0.000 2.083 380 Q HA -0.099 4.241 4.340 0.001 0.000 0.198 380 Q C 1.821 177.805 176.000 -0.026 0.000 0.969 380 Q CA 0.851 56.627 55.803 -0.045 0.000 0.838 380 Q CB 0.159 28.875 28.738 -0.036 0.000 0.900 380 Q HN 0.404 nan 8.270 nan 0.000 0.436 381 E N 0.036 120.212 120.200 -0.040 0.000 2.028 381 E HA -0.137 4.213 4.350 0.001 0.000 0.191 381 E C 1.984 178.679 176.600 0.159 0.000 0.988 381 E CA 0.884 57.291 56.400 0.012 0.000 0.799 381 E CB -0.359 29.316 29.700 -0.042 0.000 0.755 381 E HN 0.374 nan 8.360 nan 0.000 0.447 382 Y N 0.710 120.996 120.300 -0.023 0.000 2.333 382 Y HA -0.016 4.534 4.550 0.001 0.000 0.290 382 Y C 2.377 178.268 175.900 -0.015 0.000 1.144 382 Y CA 0.970 59.060 58.100 -0.017 0.000 1.228 382 Y CB -0.944 37.506 38.460 -0.017 0.000 0.985 382 Y HN 0.060 nan 8.280 nan 0.000 0.542 383 G N -1.267 107.612 108.800 0.132 0.000 2.985 383 G HA2 0.279 4.240 3.960 0.001 0.000 0.209 383 G HA3 0.279 4.240 3.960 0.001 0.000 0.209 383 G C 1.173 176.105 174.900 0.053 0.000 1.165 383 G CA 0.329 45.455 45.100 0.044 0.000 0.776 383 G HN 0.526 nan 8.290 nan 0.000 0.541 384 G N 0.205 109.062 108.800 0.094 0.000 2.248 384 G HA2 -0.259 3.701 3.960 0.001 0.000 0.263 384 G HA3 -0.259 3.701 3.960 0.001 0.000 0.263 384 G C 0.927 175.935 174.900 0.180 0.000 1.082 384 G CA 0.273 45.461 45.100 0.147 0.000 0.863 384 G HN 0.555 nan 8.290 nan 0.000 0.495 385 I N 0.034 120.622 120.570 0.030 0.000 2.335 385 I HA -0.110 4.060 4.170 0.001 0.000 0.251 385 I C 2.454 178.517 176.117 -0.089 0.000 1.129 385 I CA 1.700 62.976 61.300 -0.040 0.000 1.402 385 I CB -0.217 37.715 38.000 -0.113 0.000 1.069 385 I HN 0.534 nan 8.210 nan 0.000 0.424 386 I N 1.123 121.644 120.570 -0.082 0.000 2.099 386 I HA -0.352 3.818 4.170 0.001 0.000 0.239 386 I C 2.699 178.758 176.117 -0.096 0.000 1.066 386 I CA 2.098 63.328 61.300 -0.116 0.000 1.324 386 I CB -0.588 37.367 38.000 -0.075 0.000 1.037 386 I HN 0.327 nan 8.210 nan 0.000 0.401 387 R N 0.050 120.514 120.500 -0.061 0.000 2.148 387 R HA -0.120 4.220 4.340 0.001 0.000 0.223 387 R C 1.972 178.154 176.300 -0.197 0.000 1.088 387 R CA 1.363 57.379 56.100 -0.141 0.000 0.985 387 R CB -0.730 29.467 30.300 -0.172 0.000 0.880 387 R HN 0.406 nan 8.270 nan 0.000 0.451 388 H N 0.806 119.816 119.070 -0.100 0.000 2.343 388 H HA 0.108 4.665 4.556 0.001 0.000 0.303 388 H C 2.325 177.616 175.328 -0.062 0.000 1.068 388 H CA 1.803 57.810 56.048 -0.069 0.000 1.359 388 H CB -0.368 29.379 29.762 -0.024 0.000 1.402 388 H HN 0.432 nan 8.280 nan 0.000 0.515 389 G N 0.322 109.137 108.800 0.024 0.000 2.450 389 G HA2 -0.273 3.687 3.960 0.001 0.000 0.220 389 G HA3 -0.273 3.687 3.960 0.001 0.000 0.220 389 G C 1.878 176.781 174.900 0.005 0.000 1.130 389 G CA 0.831 45.926 45.100 -0.008 0.000 0.760 389 G HN 0.519 nan 8.290 nan 0.000 0.557 390 A N 0.743 123.520 122.820 -0.072 0.000 2.024 390 A HA -0.024 4.296 4.320 0.001 0.000 0.220 390 A C 2.271 179.796 177.584 -0.098 0.000 1.164 390 A CA 1.888 53.880 52.037 -0.074 0.000 0.643 390 A CB -0.311 18.618 19.000 -0.119 0.000 0.806 390 A HN 0.426 nan 8.150 nan 0.000 0.451 391 K N -0.893 119.401 120.400 -0.176 0.000 2.097 391 K HA -0.069 4.251 4.320 0.001 0.000 0.206 391 K C 1.988 178.600 176.600 0.020 0.000 1.049 391 K CA 1.629 57.736 56.287 -0.299 0.000 0.933 391 K CB -0.268 32.091 32.500 -0.234 0.000 0.717 391 K HN 0.528 nan 8.250 nan 0.000 0.442 392 M N 0.567 120.231 119.600 0.107 0.000 2.132 392 M HA -0.132 4.349 4.480 0.001 0.000 0.263 392 M C 2.103 178.539 176.300 0.226 0.000 1.065 392 M CA 1.475 56.885 55.300 0.184 0.000 1.122 392 M CB -0.265 32.481 32.600 0.244 0.000 1.365 392 M HN 0.099 nan 8.290 nan 0.000 0.411 393 L N -1.450 119.879 121.223 0.177 0.000 2.083 393 L HA -0.238 4.102 4.340 0.001 0.000 0.209 393 L C 2.522 179.468 176.870 0.126 0.000 1.083 393 L CA 1.448 56.375 54.840 0.145 0.000 0.752 393 L CB -0.764 41.348 42.059 0.087 0.000 0.899 393 L HN 0.254 nan 8.230 nan 0.000 0.433 394 Y N 0.428 120.731 120.300 0.005 0.000 2.133 394 Y HA -0.248 4.303 4.550 0.001 0.000 0.287 394 Y C 2.560 178.528 175.900 0.113 0.000 1.134 394 Y CA 1.474 59.582 58.100 0.013 0.000 1.133 394 Y CB -0.195 38.182 38.460 -0.139 0.000 0.987 394 Y HN 0.090 nan 8.280 nan 0.000 0.502 395 A N -0.443 122.610 122.820 0.388 0.000 1.883 395 A HA -0.248 4.072 4.320 0.001 0.000 0.217 395 A C 2.091 179.698 177.584 0.038 0.000 1.186 395 A CA 1.955 54.150 52.037 0.262 0.000 0.624 395 A CB -1.560 17.548 19.000 0.181 0.000 0.822 395 A HN 0.696 nan 8.150 nan 0.000 0.444 396 Y N 0.237 120.584 120.300 0.079 0.000 2.200 396 Y HA -0.180 4.370 4.550 0.001 0.000 0.290 396 Y C 3.124 178.996 175.900 -0.046 0.000 1.137 396 Y CA 1.345 59.452 58.100 0.013 0.000 1.163 396 Y CB -0.115 38.346 38.460 0.001 0.000 0.988 396 Y HN 0.300 nan 8.280 nan 0.000 0.518 397 S N -0.264 115.482 115.700 0.076 0.000 2.383 397 S HA -0.257 4.214 4.470 0.001 0.000 0.229 397 S C 1.885 176.422 174.600 -0.105 0.000 1.030 397 S CA 1.654 59.825 58.200 -0.048 0.000 1.002 397 S CB -0.300 62.827 63.200 -0.123 0.000 0.829 397 S HN 0.546 nan 8.310 nan 0.000 0.467 398 E N 1.255 121.357 120.200 -0.165 0.000 2.158 398 E HA 0.095 4.446 4.350 0.001 0.000 0.191 398 E C 0.691 177.258 176.600 -0.056 0.000 0.982 398 E CA 0.332 56.640 56.400 -0.154 0.000 0.823 398 E CB -0.096 29.487 29.700 -0.195 0.000 0.766 398 E HN 0.437 nan 8.360 nan 0.000 0.468 399 A N 0.808 123.618 122.820 -0.016 0.000 2.540 399 A HA 0.058 4.378 4.320 0.001 0.000 0.239 399 A C 0.940 178.522 177.584 -0.002 0.000 1.061 399 A CA 0.721 52.757 52.037 -0.002 0.000 0.758 399 A CB 0.243 19.264 19.000 0.036 0.000 0.991 399 A HN 0.403 nan 8.150 nan 0.000 0.502 400 T N -0.402 114.145 114.554 -0.011 0.000 3.003 400 T HA 0.302 4.652 4.350 0.001 0.000 0.261 400 T C 0.619 175.322 174.700 0.005 0.000 1.003 400 T CA 0.486 62.581 62.100 -0.008 0.000 0.917 400 T CB -1.205 67.655 68.868 -0.013 0.000 1.084 400 T HN 1.171 nan 8.240 nan 0.000 0.522 401 V N -0.437 119.483 119.914 0.010 0.000 3.376 401 V HA 0.434 4.554 4.120 0.001 0.000 0.303 401 V C -2.737 173.376 176.094 0.033 0.000 1.100 401 V CA -2.272 60.047 62.300 0.031 0.000 1.126 401 V CB -0.443 31.402 31.823 0.036 0.000 1.085 401 V HN -0.016 nan 8.190 nan 0.000 0.480 402 P HA 0.262 nan 4.420 nan 0.000 0.268 402 P C -0.886 176.415 177.300 0.002 0.000 1.204 402 P CA 0.240 63.349 63.100 0.016 0.000 0.768 402 P CB 0.209 31.978 31.700 0.116 0.000 0.842 403 K N 3.551 123.902 120.400 -0.081 0.000 2.502 403 K HA 0.518 4.838 4.320 0.001 0.000 0.254 403 K C -0.653 175.886 176.600 -0.102 0.000 0.947 403 K CA -0.381 55.882 56.287 -0.041 0.000 0.834 403 K CB 1.337 33.816 32.500 -0.035 0.000 1.112 403 K HN 0.396 nan 8.250 nan 0.000 0.427 404 I N 2.300 122.855 120.570 -0.026 0.000 2.418 404 I HA 0.257 4.427 4.170 0.001 0.000 0.287 404 I C -0.452 175.666 176.117 0.002 0.000 1.008 404 I CA -0.575 60.721 61.300 -0.008 0.000 1.104 404 I CB 2.187 40.246 38.000 0.099 0.000 1.264 404 I HN 0.439 nan 8.210 nan 0.000 0.438 405 T N 5.566 120.094 114.554 -0.043 0.000 2.807 405 T HA 0.536 4.886 4.350 0.001 0.000 0.279 405 T C -0.420 174.296 174.700 0.025 0.000 0.993 405 T CA -0.496 61.584 62.100 -0.033 0.000 0.970 405 T CB 2.089 70.902 68.868 -0.092 0.000 0.950 405 T HN 0.156 nan 8.240 nan 0.000 0.441 406 V N 3.765 123.695 119.914 0.028 0.000 2.444 406 V HA 0.381 4.501 4.120 0.001 0.000 0.294 406 V C -0.148 175.881 176.094 -0.108 0.000 1.022 406 V CA -0.829 61.490 62.300 0.032 0.000 0.850 406 V CB 1.828 33.669 31.823 0.031 0.000 0.992 406 V HN 0.722 nan 8.190 nan 0.000 0.426 407 V N 6.738 126.597 119.914 -0.092 0.000 2.368 407 V HA 0.258 4.378 4.120 0.001 0.000 0.266 407 V C 1.024 176.935 176.094 -0.305 0.000 1.045 407 V CA -0.031 62.168 62.300 -0.167 0.000 0.899 407 V CB 1.100 32.840 31.823 -0.138 0.000 1.006 407 V HN 0.751 nan 8.190 nan 0.000 0.470 408 L N 3.438 124.395 121.223 -0.443 0.000 2.102 408 L HA 0.149 4.489 4.340 0.001 0.000 0.202 408 L C 1.911 178.651 176.870 -0.216 0.000 1.076 408 L CA 1.286 55.749 54.840 -0.628 0.000 0.761 408 L CB -0.113 41.545 42.059 -0.669 0.000 0.921 408 L HN 0.653 nan 8.230 nan 0.000 0.444 409 R N -0.903 119.498 120.500 -0.165 0.000 2.899 409 R HA 0.249 4.589 4.340 0.001 0.000 0.095 409 R C -0.466 175.731 176.300 -0.171 0.000 0.792 409 R CA -0.627 55.414 56.100 -0.098 0.000 0.613 409 R CB 0.551 30.826 30.300 -0.041 0.000 0.531 409 R HN -0.170 nan 8.270 nan 0.000 0.341 410 K N 0.651 120.906 120.400 -0.242 0.000 2.448 410 K HA 0.287 4.607 4.320 0.001 0.000 0.278 410 K C -0.992 175.350 176.600 -0.431 0.000 1.009 410 K CA 0.691 56.694 56.287 -0.474 0.000 0.995 410 K CB 1.232 33.331 32.500 -0.668 0.000 0.917 410 K HN 0.471 nan 8.250 nan 0.000 0.481 411 A N 4.041 126.603 122.820 -0.430 0.000 3.307 411 A HA 0.238 4.558 4.320 0.001 0.000 0.289 411 A C -1.552 176.012 177.584 -0.033 0.000 1.138 411 A CA -0.708 51.103 52.037 -0.378 0.000 0.860 411 A CB 0.242 18.706 19.000 -0.892 0.000 1.318 411 A HN 0.480 nan 8.150 nan 0.000 0.551 412 Y N 0.704 120.961 120.300 -0.072 0.000 2.320 412 Y HA 0.559 5.110 4.550 0.001 0.000 0.334 412 Y C 1.414 177.349 175.900 0.059 0.000 1.055 412 Y CA -0.023 58.074 58.100 -0.007 0.000 1.143 412 Y CB 0.763 39.213 38.460 -0.016 0.000 1.193 412 Y HN 1.052 nan 8.280 nan 0.000 0.477 413 G N 2.399 111.340 108.800 0.236 0.000 2.602 413 G HA2 -0.340 3.621 3.960 0.001 0.000 0.317 413 G HA3 -0.340 3.621 3.960 0.001 0.000 0.317 413 G C 1.359 176.382 174.900 0.206 0.000 1.327 413 G CA 0.434 45.644 45.100 0.183 0.000 0.971 413 G HN 1.109 nan 8.290 nan 0.000 0.540 414 G N -0.368 108.567 108.800 0.224 0.000 2.462 414 G HA2 0.020 3.980 3.960 0.001 0.000 0.220 414 G HA3 0.020 3.980 3.960 0.001 0.000 0.220 414 G C 2.263 177.341 174.900 0.297 0.000 1.121 414 G CA 2.524 47.792 45.100 0.280 0.000 0.758 414 G HN 1.950 nan 8.290 nan 0.000 0.559 415 S N -0.782 114.975 115.700 0.095 0.000 2.423 415 S HA -0.132 4.339 4.470 0.001 0.000 0.231 415 S C 2.082 176.647 174.600 -0.058 0.000 1.014 415 S CA 1.176 59.159 58.200 -0.362 0.000 0.965 415 S CB -0.576 62.188 63.200 -0.727 0.000 0.785 415 S HN 0.617 nan 8.310 nan 0.000 0.495 416 Y N 1.875 122.132 120.300 -0.073 0.000 2.243 416 Y HA 0.138 4.688 4.550 0.001 0.000 0.293 416 Y C 2.040 177.913 175.900 -0.045 0.000 1.124 416 Y CA 0.935 58.998 58.100 -0.061 0.000 1.159 416 Y CB -0.175 38.274 38.460 -0.019 0.000 1.008 416 Y HN 0.171 nan 8.280 nan 0.000 0.527 417 L N 0.406 121.511 121.223 -0.196 0.000 2.083 417 L HA -0.224 4.116 4.340 0.001 0.000 0.209 417 L C 2.808 179.577 176.870 -0.168 0.000 1.083 417 L CA 1.100 55.766 54.840 -0.291 0.000 0.752 417 L CB -0.893 41.109 42.059 -0.094 0.000 0.899 417 L HN 0.366 nan 8.230 nan 0.000 0.433 418 A N -0.739 122.080 122.820 -0.003 0.000 2.067 418 A HA -0.129 4.191 4.320 0.001 0.000 0.219 418 A C 2.002 179.633 177.584 0.077 0.000 1.158 418 A CA 1.154 53.260 52.037 0.116 0.000 0.661 418 A CB -0.246 18.895 19.000 0.236 0.000 0.801 418 A HN 0.304 nan 8.150 nan 0.000 0.452 419 M N -1.535 118.009 119.600 -0.095 0.000 2.530 419 M HA 0.159 4.639 4.480 0.001 0.000 0.231 419 M C 0.493 176.466 176.300 -0.545 0.000 1.180 419 M CA -0.204 54.990 55.300 -0.177 0.000 0.985 419 M CB -1.348 31.224 32.600 -0.047 0.000 1.623 419 M HN 0.552 nan 8.290 nan 0.000 0.475 420 C N 4.135 123.033 119.300 -0.671 0.000 3.106 420 C HA -0.153 4.307 4.460 0.001 0.000 0.292 420 C C 0.482 175.162 174.990 -0.517 0.000 1.009 420 C CA -0.134 58.443 59.018 -0.735 0.000 2.579 420 C CB -2.109 24.840 27.740 -1.319 0.000 1.535 420 C HN 0.844 nan 8.230 nan 0.000 0.470 421 N N 2.667 121.050 118.700 -0.527 0.000 2.495 421 N HA 0.360 5.100 4.740 0.001 0.000 0.294 421 N C 1.053 176.407 175.510 -0.261 0.000 1.276 421 N CA 0.162 52.940 53.050 -0.454 0.000 0.973 421 N CB 0.181 38.221 38.487 -0.745 0.000 1.143 421 N HN 0.702 nan 8.380 nan 0.000 0.589 422 R N -0.314 120.086 120.500 -0.167 0.000 2.117 422 R HA -0.133 4.208 4.340 0.001 0.000 0.243 422 R C 0.840 177.071 176.300 -0.115 0.000 1.143 422 R CA 2.003 58.028 56.100 -0.125 0.000 0.968 422 R CB -0.503 29.750 30.300 -0.077 0.000 0.863 422 R HN 0.596 nan 8.270 nan 0.000 0.444 423 D N -0.000 120.330 120.400 -0.116 0.000 2.218 423 D HA -0.119 4.521 4.640 0.001 0.000 0.204 423 D C 1.014 177.256 176.300 -0.097 0.000 0.976 423 D CA 0.816 54.761 54.000 -0.092 0.000 0.853 423 D CB 0.124 40.874 40.800 -0.082 0.000 0.939 423 D HN 0.287 nan 8.370 nan 0.000 0.481 424 L N -0.107 121.038 121.223 -0.130 0.000 2.653 424 L HA 0.182 4.523 4.340 0.001 0.000 0.232 424 L C 1.226 178.043 176.870 -0.088 0.000 1.169 424 L CA 0.347 55.126 54.840 -0.101 0.000 0.951 424 L CB -0.149 41.841 42.059 -0.116 0.000 1.181 424 L HN 0.091 nan 8.230 nan 0.000 0.460 425 G N 0.301 109.041 108.800 -0.100 0.000 2.131 425 G HA2 -0.235 3.725 3.960 0.001 0.000 0.223 425 G HA3 -0.235 3.725 3.960 0.001 0.000 0.223 425 G C 0.549 175.373 174.900 -0.127 0.000 0.990 425 G CA 0.091 45.135 45.100 -0.093 0.000 0.671 425 G HN 0.536 nan 8.290 nan 0.000 0.521 426 A N 0.179 122.901 122.820 -0.164 0.000 2.520 426 A HA 0.492 4.812 4.320 0.001 0.000 0.245 426 A C 1.266 178.712 177.584 -0.228 0.000 1.072 426 A CA 0.873 52.793 52.037 -0.196 0.000 0.761 426 A CB 0.287 19.161 19.000 -0.210 0.000 1.004 426 A HN 0.271 nan 8.150 nan 0.000 0.499 427 D N 1.033 121.232 120.400 -0.334 0.000 2.234 427 D HA 0.187 4.827 4.640 0.001 0.000 0.205 427 D C 0.632 176.681 176.300 -0.417 0.000 0.962 427 D CA 1.791 55.461 54.000 -0.550 0.000 0.855 427 D CB 0.208 40.281 40.800 -1.212 0.000 0.951 427 D HN 0.693 nan 8.370 nan 0.000 0.500 428 A N 0.448 123.072 122.820 -0.326 0.000 2.459 428 A HA 0.526 4.847 4.320 0.001 0.000 0.296 428 A C -1.132 176.191 177.584 -0.436 0.000 1.039 428 A CA -0.542 51.298 52.037 -0.329 0.000 0.698 428 A CB 1.941 20.828 19.000 -0.188 0.000 1.261 428 A HN -0.097 nan 8.150 nan 0.000 0.405 429 V N 2.719 122.312 119.914 -0.535 0.000 2.483 429 V HA 0.509 4.629 4.120 0.001 0.000 0.297 429 V C -1.307 174.493 176.094 -0.489 0.000 1.027 429 V CA -0.407 61.667 62.300 -0.377 0.000 0.855 429 V CB 1.133 32.862 31.823 -0.157 0.000 0.995 429 V HN 0.809 nan 8.190 nan 0.000 0.424 430 Y N 2.191 122.522 120.300 0.052 0.000 2.429 430 Y HA 0.805 5.355 4.550 0.001 0.000 0.342 430 Y C 0.364 176.309 175.900 0.075 0.000 1.004 430 Y CA -0.844 57.299 58.100 0.072 0.000 1.075 430 Y CB 2.226 40.749 38.460 0.105 0.000 1.214 430 Y HN 0.706 nan 8.280 nan 0.000 0.455 431 A N 2.327 125.286 122.820 0.231 0.000 2.331 431 A HA 0.606 4.926 4.320 0.001 0.000 0.320 431 A C -1.549 176.196 177.584 0.267 0.000 1.138 431 A CA -0.651 51.481 52.037 0.158 0.000 0.790 431 A CB 0.531 19.552 19.000 0.036 0.000 1.206 431 A HN 0.724 nan 8.150 nan 0.000 0.470 432 W N 2.194 123.475 121.300 -0.032 0.000 2.129 432 W HA 0.434 5.094 4.660 0.001 0.000 0.349 432 W C -1.872 174.601 176.519 -0.076 0.000 1.279 432 W CA -1.489 55.827 57.345 -0.049 0.000 1.306 432 W CB 0.109 29.539 29.460 -0.050 0.000 1.140 432 W HN 0.512 nan 8.180 nan 0.000 0.613 433 P HA -0.154 nan 4.420 nan 0.000 0.225 433 P C 1.110 178.452 177.300 0.069 0.000 1.148 433 P CA 1.920 65.034 63.100 0.024 0.000 0.779 433 P CB 0.099 31.802 31.700 0.005 0.000 0.780 434 S N -2.000 113.780 115.700 0.133 0.000 2.593 434 S HA 0.336 4.807 4.470 0.001 0.000 0.217 434 S C 1.022 175.662 174.600 0.067 0.000 0.966 434 S CA -0.355 57.909 58.200 0.106 0.000 0.914 434 S CB -0.691 62.587 63.200 0.130 0.000 0.776 434 S HN 0.081 nan 8.310 nan 0.000 0.523 435 A N 1.771 124.626 122.820 0.059 0.000 2.477 435 A HA 0.346 4.666 4.320 0.001 0.000 0.246 435 A C 0.331 177.906 177.584 -0.015 0.000 1.078 435 A CA -0.188 51.840 52.037 -0.013 0.000 0.770 435 A CB 0.065 19.049 19.000 -0.026 0.000 1.011 435 A HN 0.531 nan 8.150 nan 0.000 0.494 436 E N 2.494 122.669 120.200 -0.042 0.000 3.568 436 E HA 0.246 4.596 4.350 0.001 0.000 0.213 436 E C -1.088 175.534 176.600 0.037 0.000 1.197 436 E CA -0.073 56.357 56.400 0.050 0.000 1.126 436 E CB 0.647 30.433 29.700 0.143 0.000 1.285 436 E HN 0.685 nan 8.360 nan 0.000 0.418 437 I N 2.182 122.701 120.570 -0.085 0.000 2.598 437 I HA 0.216 4.386 4.170 0.001 0.000 0.284 437 I C 0.305 176.429 176.117 0.012 0.000 1.140 437 I CA 0.349 61.529 61.300 -0.200 0.000 1.420 437 I CB 0.646 38.501 38.000 -0.241 0.000 1.387 437 I HN 0.314 nan 8.210 nan 0.000 0.553 438 A N 5.046 127.911 122.820 0.075 0.000 2.604 438 A HA 0.409 4.729 4.320 0.001 0.000 0.295 438 A C 0.070 177.675 177.584 0.035 0.000 1.067 438 A CA -0.505 51.563 52.037 0.051 0.000 0.683 438 A CB 1.506 20.492 19.000 -0.024 0.000 1.281 438 A HN 0.457 nan 8.150 nan 0.000 0.407 439 V N 1.282 121.184 119.914 -0.020 0.000 2.871 439 V HA 0.321 4.442 4.120 0.001 0.000 0.256 439 V C 0.580 176.645 176.094 -0.048 0.000 1.082 439 V CA 2.433 64.724 62.300 -0.015 0.000 1.105 439 V CB -0.601 31.185 31.823 -0.063 0.000 0.713 439 V HN 0.842 nan 8.190 nan 0.000 0.473 440 M N -1.222 118.296 119.600 -0.138 0.000 2.523 440 M HA 0.520 5.000 4.480 0.001 0.000 0.287 440 M C -0.128 175.863 176.300 -0.515 0.000 1.160 440 M CA -0.056 55.079 55.300 -0.275 0.000 0.902 440 M CB 1.589 34.077 32.600 -0.187 0.000 1.752 440 M HN 0.141 nan 8.290 nan 0.000 0.504 441 G N 1.292 109.618 108.800 -0.791 0.000 2.484 441 G HA2 0.391 4.351 3.960 0.001 0.000 0.235 441 G HA3 0.391 4.351 3.960 0.001 0.000 0.235 441 G C 0.797 175.526 174.900 -0.285 0.000 1.282 441 G CA 0.256 44.901 45.100 -0.759 0.000 0.857 441 G HN 1.068 nan 8.290 nan 0.000 0.571 442 A N 1.120 123.897 122.820 -0.071 0.000 1.917 442 A HA -0.159 4.161 4.320 0.001 0.000 0.219 442 A C 2.093 179.628 177.584 -0.082 0.000 1.182 442 A CA 2.182 54.247 52.037 0.048 0.000 0.633 442 A CB -0.563 18.560 19.000 0.204 0.000 0.819 442 A HN 0.846 nan 8.150 nan 0.000 0.448 443 E N -0.712 119.461 120.200 -0.045 0.000 2.049 443 E HA -0.165 4.185 4.350 0.001 0.000 0.198 443 E C 2.102 178.654 176.600 -0.081 0.000 1.007 443 E CA 1.398 57.775 56.400 -0.038 0.000 0.809 443 E CB -0.515 29.182 29.700 -0.005 0.000 0.749 443 E HN 0.498 nan 8.360 nan 0.000 0.450 444 G N 0.437 109.168 108.800 -0.116 0.000 2.402 444 G HA2 -0.228 3.733 3.960 0.001 0.000 0.216 444 G HA3 -0.228 3.733 3.960 0.001 0.000 0.216 444 G C 1.665 176.452 174.900 -0.190 0.000 1.162 444 G CA 1.023 46.049 45.100 -0.124 0.000 0.777 444 G HN 0.445 nan 8.290 nan 0.000 0.539 445 A N 1.416 124.029 122.820 -0.344 0.000 1.865 445 A HA 0.141 4.462 4.320 0.001 0.000 0.217 445 A C 2.860 180.222 177.584 -0.370 0.000 1.191 445 A CA 2.682 54.374 52.037 -0.574 0.000 0.623 445 A CB -1.041 17.059 19.000 -1.500 0.000 0.826 445 A HN 0.872 nan 8.150 nan 0.000 0.444 446 A N 0.095 122.771 122.820 -0.240 0.000 1.883 446 A HA -0.222 4.099 4.320 0.001 0.000 0.217 446 A C 1.804 179.445 177.584 0.095 0.000 1.186 446 A CA 1.781 53.864 52.037 0.076 0.000 0.624 446 A CB -0.772 18.267 19.000 0.065 0.000 0.822 446 A HN 0.551 nan 8.150 nan 0.000 0.444 447 N N -0.348 118.352 118.700 0.001 0.000 2.588 447 N HA -0.087 4.653 4.740 0.001 0.000 0.190 447 N C 1.260 176.768 175.510 -0.003 0.000 1.094 447 N CA 1.394 54.448 53.050 0.006 0.000 0.921 447 N CB 0.000 38.476 38.487 -0.019 0.000 0.959 447 N HN 0.376 nan 8.380 nan 0.000 0.448 448 V N -0.216 119.679 119.914 -0.031 0.000 3.090 448 V HA 0.140 4.260 4.120 0.001 0.000 0.237 448 V C 1.945 177.992 176.094 -0.077 0.000 1.209 448 V CA 0.135 62.403 62.300 -0.053 0.000 1.209 448 V CB 0.243 32.017 31.823 -0.082 0.000 0.971 448 V HN 0.051 nan 8.190 nan 0.000 0.477 449 I N -0.505 119.988 120.570 -0.128 0.000 2.676 449 I HA -0.079 4.092 4.170 0.001 0.000 0.259 449 I C 1.296 177.120 176.117 -0.487 0.000 1.194 449 I CA 1.853 62.961 61.300 -0.321 0.000 1.473 449 I CB -0.060 37.663 38.000 -0.462 0.000 1.096 449 I HN 0.265 nan 8.210 nan 0.000 0.443 450 F N 1.294 121.242 119.950 -0.004 0.000 2.735 450 F HA 0.209 4.737 4.527 0.001 0.000 0.304 450 F C 2.029 177.828 175.800 -0.002 0.000 1.119 450 F CA -0.540 57.462 58.000 0.004 0.000 1.280 450 F CB -0.079 38.927 39.000 0.010 0.000 0.994 450 F HN -0.063 nan 8.300 nan 0.000 0.520 451 R N 1.358 121.918 120.500 0.101 0.000 2.117 451 R HA -0.246 4.094 4.340 0.001 0.000 0.243 451 R C 1.553 177.891 176.300 0.063 0.000 1.143 451 R CA 2.207 58.346 56.100 0.066 0.000 0.968 451 R CB -0.969 29.346 30.300 0.024 0.000 0.863 451 R HN 0.301 nan 8.270 nan 0.000 0.444 452 K N 1.086 121.521 120.400 0.058 0.000 2.026 452 K HA -0.099 4.222 4.320 0.001 0.000 0.208 452 K C 2.035 178.676 176.600 0.068 0.000 1.048 452 K CA 1.851 58.168 56.287 0.050 0.000 0.929 452 K CB -0.478 32.044 32.500 0.037 0.000 0.713 452 K HN 0.420 nan 8.250 nan 0.000 0.439 453 E N 0.251 120.518 120.200 0.113 0.000 2.158 453 E HA 0.026 4.376 4.350 0.001 0.000 0.191 453 E C 1.950 178.592 176.600 0.071 0.000 0.982 453 E CA 0.566 57.027 56.400 0.102 0.000 0.823 453 E CB 0.030 29.823 29.700 0.154 0.000 0.766 453 E HN 0.356 nan 8.360 nan 0.000 0.468 454 I N 1.469 122.089 120.570 0.084 0.000 2.252 454 I HA -0.283 3.887 4.170 0.001 0.000 0.245 454 I C 2.450 178.586 176.117 0.032 0.000 1.102 454 I CA 1.290 62.620 61.300 0.049 0.000 1.385 454 I CB -0.223 37.814 38.000 0.060 0.000 1.064 454 I HN 0.061 nan 8.210 nan 0.000 0.414 455 K N 2.323 122.744 120.400 0.036 0.000 2.001 455 K HA -0.076 4.245 4.320 0.001 0.000 0.208 455 K C 1.892 178.503 176.600 0.019 0.000 1.048 455 K CA 1.915 58.216 56.287 0.023 0.000 0.932 455 K CB -0.768 31.745 32.500 0.022 0.000 0.715 455 K HN 0.146 nan 8.250 nan 0.000 0.437 456 A N 0.573 123.407 122.820 0.023 0.000 2.239 456 A HA 0.358 4.678 4.320 0.001 0.000 0.209 456 A C 0.941 178.534 177.584 0.015 0.000 1.171 456 A CA 0.450 52.498 52.037 0.019 0.000 0.768 456 A CB -0.849 18.165 19.000 0.022 0.000 0.790 456 A HN 0.533 nan 8.150 nan 0.000 0.478 457 A N 0.006 122.834 122.820 0.014 0.000 2.366 457 A HA 0.385 4.705 4.320 0.001 0.000 0.272 457 A C 0.716 178.301 177.584 0.003 0.000 1.135 457 A CA -0.249 51.792 52.037 0.006 0.000 0.804 457 A CB 0.226 19.227 19.000 0.002 0.000 1.064 457 A HN 0.292 nan 8.150 nan 0.000 0.499 458 D N 0.479 120.879 120.400 0.001 0.000 2.203 458 D HA -0.135 4.506 4.640 0.001 0.000 0.199 458 D C -0.045 176.254 176.300 -0.002 0.000 0.997 458 D CA 1.938 55.938 54.000 -0.001 0.000 0.863 458 D CB 0.266 41.065 40.800 -0.002 0.000 0.928 458 D HN 0.664 nan 8.370 nan 0.000 0.458 459 D N -1.554 118.844 120.400 -0.004 0.000 2.378 459 D HA 0.176 4.817 4.640 0.001 0.000 0.265 459 D C -2.034 174.262 176.300 -0.007 0.000 1.229 459 D CA -2.087 51.909 54.000 -0.005 0.000 0.914 459 D CB 1.571 42.366 40.800 -0.008 0.000 1.140 459 D HN -0.227 nan 8.370 nan 0.000 0.516 460 P HA -0.159 nan 4.420 nan 0.000 0.217 460 P C 0.701 177.997 177.300 -0.007 0.000 1.158 460 P CA 1.148 64.247 63.100 -0.002 0.000 0.887 460 P CB 0.388 32.090 31.700 0.003 0.000 0.792 461 D N -1.116 119.280 120.400 -0.006 0.000 2.123 461 D HA -0.138 4.502 4.640 0.001 0.000 0.196 461 D C 1.981 178.273 176.300 -0.015 0.000 0.992 461 D CA 1.661 55.656 54.000 -0.008 0.000 0.833 461 D CB -0.923 39.874 40.800 -0.006 0.000 0.954 461 D HN 0.107 nan 8.370 nan 0.000 0.455 462 A N 0.357 123.167 122.820 -0.017 0.000 1.898 462 A HA -0.119 4.202 4.320 0.001 0.000 0.216 462 A C 2.115 179.677 177.584 -0.037 0.000 1.181 462 A CA 1.478 53.501 52.037 -0.023 0.000 0.620 462 A CB -0.475 18.513 19.000 -0.020 0.000 0.819 462 A HN 0.143 nan 8.150 nan 0.000 0.442 463 M N -0.038 119.539 119.600 -0.038 0.000 2.117 463 M HA -0.100 4.381 4.480 0.001 0.000 0.262 463 M C 2.086 178.336 176.300 -0.083 0.000 1.065 463 M CA 1.959 57.222 55.300 -0.062 0.000 1.114 463 M CB -0.542 32.032 32.600 -0.042 0.000 1.361 463 M HN 0.479 nan 8.290 nan 0.000 0.408 464 R N -0.388 120.084 120.500 -0.048 0.000 2.073 464 R HA -0.130 4.211 4.340 0.001 0.000 0.234 464 R C 2.021 178.293 176.300 -0.048 0.000 1.134 464 R CA 1.794 57.870 56.100 -0.040 0.000 0.952 464 R CB -0.583 29.710 30.300 -0.013 0.000 0.850 464 R HN 0.446 nan 8.270 nan 0.000 0.433 465 A N 1.587 124.385 122.820 -0.037 0.000 1.940 465 A HA -0.246 4.075 4.320 0.001 0.000 0.219 465 A C 1.979 179.537 177.584 -0.044 0.000 1.176 465 A CA 1.883 53.903 52.037 -0.028 0.000 0.631 465 A CB -0.616 18.373 19.000 -0.019 0.000 0.814 465 A HN 0.766 nan 8.150 nan 0.000 0.446 466 E N -1.036 119.120 120.200 -0.073 0.000 2.216 466 E HA -0.143 4.207 4.350 0.001 0.000 0.192 466 E C 1.546 178.060 176.600 -0.144 0.000 0.988 466 E CA 0.919 57.264 56.400 -0.092 0.000 0.834 466 E CB -0.112 29.529 29.700 -0.098 0.000 0.772 466 E HN 0.264 nan 8.360 nan 0.000 0.479 467 K N 0.910 121.179 120.400 -0.220 0.000 2.155 467 K HA 0.045 4.365 4.320 0.001 0.000 0.203 467 K C 2.082 178.637 176.600 -0.074 0.000 1.052 467 K CA 0.682 56.751 56.287 -0.363 0.000 0.948 467 K CB -0.204 31.937 32.500 -0.598 0.000 0.728 467 K HN 0.315 nan 8.250 nan 0.000 0.448 468 I N 0.856 121.415 120.570 -0.019 0.000 2.202 468 I HA -0.271 3.900 4.170 0.001 0.000 0.242 468 I C 2.452 178.624 176.117 0.091 0.000 1.091 468 I CA 1.246 62.580 61.300 0.057 0.000 1.368 468 I CB -0.149 37.869 38.000 0.030 0.000 1.058 468 I HN 0.150 nan 8.210 nan 0.000 0.410 469 E N 1.377 121.599 120.200 0.036 0.000 2.077 469 E HA -0.300 4.050 4.350 0.001 0.000 0.193 469 E C 1.997 178.621 176.600 0.041 0.000 0.989 469 E CA 1.754 58.175 56.400 0.035 0.000 0.800 469 E CB -0.145 29.556 29.700 0.002 0.000 0.746 469 E HN 0.463 nan 8.360 nan 0.000 0.452 470 E N -1.266 118.947 120.200 0.021 0.000 2.077 470 E HA -0.243 4.107 4.350 0.001 0.000 0.193 470 E C 1.959 178.607 176.600 0.079 0.000 0.989 470 E CA 1.113 57.524 56.400 0.018 0.000 0.800 470 E CB -0.382 29.303 29.700 -0.026 0.000 0.746 470 E HN 0.478 nan 8.360 nan 0.000 0.452 471 Y N 1.130 121.468 120.300 0.063 0.000 2.163 471 Y HA -0.247 4.304 4.550 0.001 0.000 0.288 471 Y C 2.506 178.477 175.900 0.119 0.000 1.136 471 Y CA 2.197 60.380 58.100 0.138 0.000 1.147 471 Y CB -0.272 38.306 38.460 0.196 0.000 0.987 471 Y HN 0.132 nan 8.280 nan 0.000 0.509 472 Q N 0.779 120.725 119.800 0.243 0.000 2.045 472 Q HA -0.232 4.108 4.340 0.001 0.000 0.206 472 Q C 1.699 177.737 176.000 0.063 0.000 0.991 472 Q CA 2.448 58.350 55.803 0.165 0.000 0.851 472 Q CB -0.461 28.361 28.738 0.141 0.000 0.911 472 Q HN 0.445 nan 8.270 nan 0.000 0.418 473 N N -0.490 118.223 118.700 0.022 0.000 2.396 473 N HA -0.026 4.714 4.740 0.001 0.000 0.180 473 N C 1.235 176.694 175.510 -0.085 0.000 1.028 473 N CA 1.119 54.162 53.050 -0.011 0.000 0.893 473 N CB -0.286 38.191 38.487 -0.017 0.000 0.967 473 N HN 0.408 nan 8.380 nan 0.000 0.440 474 A N -0.733 121.969 122.820 -0.195 0.000 2.016 474 A HA 0.118 4.438 4.320 0.001 0.000 0.217 474 A C 1.267 178.527 177.584 -0.540 0.000 1.162 474 A CA 0.857 52.641 52.037 -0.420 0.000 0.662 474 A CB -0.071 18.563 19.000 -0.610 0.000 0.812 474 A HN 0.163 nan 8.150 nan 0.000 0.450 475 F N -1.502 118.305 119.950 -0.239 0.000 2.658 475 F HA 0.209 4.737 4.527 0.001 0.000 0.293 475 F C 0.714 176.455 175.800 -0.099 0.000 0.986 475 F CA -0.180 57.689 58.000 -0.219 0.000 1.182 475 F CB 0.081 38.820 39.000 -0.435 0.000 0.965 475 F HN 0.053 nan 8.300 nan 0.000 0.659 476 N N 0.510 119.294 118.700 0.139 0.000 2.346 476 N HA 0.079 4.819 4.740 0.001 0.000 0.225 476 N C 0.163 175.742 175.510 0.114 0.000 1.144 476 N CA 0.330 53.461 53.050 0.136 0.000 0.837 476 N CB -0.204 38.386 38.487 0.171 0.000 1.069 476 N HN 0.235 nan 8.380 nan 0.000 0.487 477 T N -3.562 111.056 114.554 0.106 0.000 2.945 477 T HA 0.425 4.776 4.350 0.001 0.000 0.286 477 T C -1.954 172.785 174.700 0.064 0.000 1.025 477 T CA -1.986 60.181 62.100 0.113 0.000 1.039 477 T CB 2.572 71.552 68.868 0.186 0.000 1.068 477 T HN -0.276 nan 8.240 nan 0.000 0.497 478 P HA -0.047 nan 4.420 nan 0.000 0.218 478 P C 0.769 177.954 177.300 -0.193 0.000 1.148 478 P CA 1.080 64.090 63.100 -0.150 0.000 0.822 478 P CB -0.232 31.301 31.700 -0.278 0.000 0.784 479 Y N -1.115 119.208 120.300 0.038 0.000 2.293 479 Y HA -0.135 4.415 4.550 0.001 0.000 0.291 479 Y C 2.336 178.255 175.900 0.030 0.000 1.137 479 Y CA 0.719 58.837 58.100 0.031 0.000 1.202 479 Y CB -1.272 37.198 38.460 0.018 0.000 0.990 479 Y HN -0.217 nan 8.280 nan 0.000 0.537 480 V N -0.516 119.493 119.914 0.158 0.000 2.407 480 V HA -0.240 3.880 4.120 0.001 0.000 0.245 480 V C 2.475 178.627 176.094 0.097 0.000 1.041 480 V CA 1.425 63.795 62.300 0.116 0.000 1.040 480 V CB -1.190 30.701 31.823 0.112 0.000 0.671 480 V HN 0.438 nan 8.190 nan 0.000 0.455 481 A N 0.334 123.196 122.820 0.071 0.000 1.877 481 A HA -0.144 4.177 4.320 0.001 0.000 0.216 481 A C 2.416 180.027 177.584 0.045 0.000 1.186 481 A CA 2.191 54.260 52.037 0.053 0.000 0.620 481 A CB -0.796 18.216 19.000 0.020 0.000 0.822 481 A HN 0.558 nan 8.150 nan 0.000 0.443 482 A N -0.284 122.555 122.820 0.031 0.000 1.930 482 A HA 0.205 4.526 4.320 0.001 0.000 0.217 482 A C 2.477 180.095 177.584 0.057 0.000 1.175 482 A CA 1.909 53.966 52.037 0.034 0.000 0.627 482 A CB -0.951 18.060 19.000 0.017 0.000 0.815 482 A HN 1.073 nan 8.150 nan 0.000 0.443 483 A N -0.493 122.372 122.820 0.075 0.000 1.940 483 A HA -0.148 4.173 4.320 0.001 0.000 0.219 483 A C 2.055 179.675 177.584 0.060 0.000 1.176 483 A CA 1.401 53.481 52.037 0.072 0.000 0.631 483 A CB -0.343 18.704 19.000 0.078 0.000 0.814 483 A HN 0.351 nan 8.150 nan 0.000 0.446 484 R N -1.310 119.228 120.500 0.063 0.000 2.310 484 R HA 0.128 4.469 4.340 0.001 0.000 0.202 484 R C 1.326 177.652 176.300 0.043 0.000 0.933 484 R CA 0.718 56.852 56.100 0.057 0.000 1.054 484 R CB -0.687 29.655 30.300 0.069 0.000 0.985 484 R HN 0.864 nan 8.270 nan 0.000 0.489 485 G N 1.150 109.974 108.800 0.039 0.000 2.143 485 G HA2 -0.333 3.628 3.960 0.001 0.000 0.249 485 G HA3 -0.333 3.628 3.960 0.001 0.000 0.249 485 G C 0.807 175.719 174.900 0.019 0.000 0.981 485 G CA 0.495 45.611 45.100 0.027 0.000 0.665 485 G HN 0.396 nan 8.290 nan 0.000 0.528 486 Q N -0.775 119.044 119.800 0.031 0.000 2.297 486 Q HA 0.226 4.567 4.340 0.001 0.000 0.204 486 Q C 1.361 177.376 176.000 0.024 0.000 0.962 486 Q CA 1.441 57.267 55.803 0.039 0.000 0.879 486 Q CB 0.296 29.079 28.738 0.076 0.000 0.947 486 Q HN 1.125 nan 8.270 nan 0.000 0.462 487 V N -3.192 116.728 119.914 0.009 0.000 2.914 487 V HA 0.293 4.414 4.120 0.001 0.000 0.314 487 V C -0.332 175.747 176.094 -0.026 0.000 1.084 487 V CA -0.830 61.457 62.300 -0.021 0.000 0.963 487 V CB 2.056 33.880 31.823 0.003 0.000 1.025 487 V HN -0.189 nan 8.190 nan 0.000 0.432 488 D N 1.062 121.413 120.400 -0.082 0.000 2.183 488 D HA 0.163 4.803 4.640 0.001 0.000 0.203 488 D C 0.254 176.600 176.300 0.077 0.000 0.969 488 D CA 1.974 55.957 54.000 -0.028 0.000 0.842 488 D CB 0.188 40.921 40.800 -0.111 0.000 0.957 488 D HN 0.871 nan 8.370 nan 0.000 0.484 489 D N -2.029 118.445 120.400 0.124 0.000 2.742 489 D HA 0.162 4.803 4.640 0.001 0.000 0.262 489 D C -1.676 174.704 176.300 0.134 0.000 1.240 489 D CA -0.603 53.489 54.000 0.154 0.000 0.752 489 D CB 1.373 42.319 40.800 0.242 0.000 1.290 489 D HN -0.301 nan 8.370 nan 0.000 0.420 490 V N 2.217 122.159 119.914 0.048 0.000 2.435 490 V HA 0.622 4.742 4.120 0.001 0.000 0.290 490 V C 0.311 176.413 176.094 0.012 0.000 1.030 490 V CA -0.632 61.657 62.300 -0.020 0.000 0.881 490 V CB 1.058 32.745 31.823 -0.226 0.000 0.983 490 V HN 0.505 nan 8.190 nan 0.000 0.445 491 I N 0.097 120.684 120.570 0.028 0.000 2.892 491 I HA 0.687 4.857 4.170 0.001 0.000 0.306 491 I C -0.618 175.404 176.117 -0.158 0.000 1.078 491 I CA -0.847 60.428 61.300 -0.041 0.000 1.032 491 I CB 2.175 40.154 38.000 -0.035 0.000 1.229 491 I HN 0.473 nan 8.210 nan 0.000 0.435 492 D N 4.804 125.090 120.400 -0.191 0.000 2.371 492 D HA 0.241 4.881 4.640 0.001 0.000 0.256 492 D C -1.829 174.186 176.300 -0.475 0.000 1.193 492 D CA -2.104 51.729 54.000 -0.278 0.000 0.881 492 D CB 1.651 42.336 40.800 -0.191 0.000 1.143 492 D HN 0.316 nan 8.370 nan 0.000 0.473 493 P HA -0.141 nan 4.420 nan 0.000 0.218 493 P C 0.876 177.797 177.300 -0.631 0.000 1.146 493 P CA 1.595 63.855 63.100 -1.400 0.000 0.813 493 P CB 0.134 30.660 31.700 -1.958 0.000 0.778 494 A N -0.454 122.121 122.820 -0.408 0.000 2.070 494 A HA -0.176 4.145 4.320 0.001 0.000 0.220 494 A C 1.586 179.077 177.584 -0.154 0.000 1.159 494 A CA 1.679 53.581 52.037 -0.225 0.000 0.656 494 A CB -0.929 17.966 19.000 -0.174 0.000 0.800 494 A HN 0.119 nan 8.150 nan 0.000 0.453 495 D N -1.270 119.029 120.400 -0.169 0.000 2.340 495 D HA 0.049 4.690 4.640 0.001 0.000 0.217 495 D C 1.347 177.596 176.300 -0.084 0.000 1.081 495 D CA 0.620 54.550 54.000 -0.118 0.000 0.842 495 D CB -0.082 40.641 40.800 -0.129 0.000 0.934 495 D HN 0.310 nan 8.370 nan 0.000 0.511 496 T N 0.727 115.264 114.554 -0.029 0.000 2.699 496 T HA -0.233 4.117 4.350 0.001 0.000 0.268 496 T C 1.945 176.671 174.700 0.044 0.000 1.036 496 T CA 1.164 63.317 62.100 0.089 0.000 1.147 496 T CB 0.130 69.187 68.868 0.315 0.000 0.862 496 T HN 0.219 nan 8.240 nan 0.000 0.446 497 R N 0.810 121.326 120.500 0.027 0.000 2.073 497 R HA -0.038 4.302 4.340 0.001 0.000 0.234 497 R C 2.646 178.940 176.300 -0.010 0.000 1.134 497 R CA 1.475 57.585 56.100 0.016 0.000 0.952 497 R CB -0.177 30.124 30.300 0.001 0.000 0.850 497 R HN 0.283 nan 8.270 nan 0.000 0.433 498 R N 0.399 120.877 120.500 -0.036 0.000 2.081 498 R HA -0.124 4.216 4.340 0.001 0.000 0.235 498 R C 1.891 178.152 176.300 -0.064 0.000 1.131 498 R CA 1.580 57.653 56.100 -0.045 0.000 0.960 498 R CB 0.015 30.282 30.300 -0.056 0.000 0.856 498 R HN 0.066 nan 8.270 nan 0.000 0.436 499 K N 0.606 120.928 120.400 -0.131 0.000 2.057 499 K HA -0.133 4.187 4.320 0.001 0.000 0.207 499 K C 2.111 178.646 176.600 -0.107 0.000 1.049 499 K CA 1.453 57.575 56.287 -0.274 0.000 0.931 499 K CB -0.343 31.796 32.500 -0.602 0.000 0.714 499 K HN 0.337 nan 8.250 nan 0.000 0.440 500 I N 0.908 121.475 120.570 -0.004 0.000 2.202 500 I HA -0.244 3.927 4.170 0.001 0.000 0.242 500 I C 2.467 178.645 176.117 0.102 0.000 1.091 500 I CA 1.096 62.461 61.300 0.107 0.000 1.368 500 I CB -0.418 37.645 38.000 0.106 0.000 1.058 500 I HN 0.040 nan 8.210 nan 0.000 0.410 501 A N 0.151 123.005 122.820 0.056 0.000 1.908 501 A HA -0.217 4.103 4.320 0.001 0.000 0.218 501 A C 2.490 180.115 177.584 0.068 0.000 1.181 501 A CA 2.362 54.430 52.037 0.051 0.000 0.627 501 A CB -0.760 18.252 19.000 0.020 0.000 0.818 501 A HN 0.391 nan 8.150 nan 0.000 0.445 502 S N -0.385 115.349 115.700 0.056 0.000 2.368 502 S HA 0.023 4.494 4.470 0.001 0.000 0.224 502 S C 2.320 176.992 174.600 0.120 0.000 1.029 502 S CA 1.073 59.312 58.200 0.065 0.000 0.988 502 S CB -0.441 62.781 63.200 0.037 0.000 0.838 502 S HN 0.798 nan 8.310 nan 0.000 0.462 503 A N 1.554 124.492 122.820 0.197 0.000 1.902 503 A HA -0.015 4.305 4.320 0.001 0.000 0.217 503 A C 2.103 179.882 177.584 0.325 0.000 1.181 503 A CA 1.145 53.381 52.037 0.332 0.000 0.623 503 A CB -0.770 18.494 19.000 0.440 0.000 0.818 503 A HN 0.446 nan 8.150 nan 0.000 0.443 504 L N -0.844 120.517 121.223 0.230 0.000 2.042 504 L HA -0.219 4.121 4.340 0.001 0.000 0.210 504 L C 2.700 179.673 176.870 0.173 0.000 1.076 504 L CA 1.816 56.777 54.840 0.202 0.000 0.749 504 L CB -0.461 41.682 42.059 0.140 0.000 0.893 504 L HN 0.509 nan 8.230 nan 0.000 0.432 505 E N 0.549 120.826 120.200 0.128 0.000 2.051 505 E HA -0.226 4.124 4.350 0.001 0.000 0.192 505 E C 2.220 178.844 176.600 0.041 0.000 0.991 505 E CA 1.577 58.035 56.400 0.097 0.000 0.799 505 E CB -0.190 29.555 29.700 0.076 0.000 0.748 505 E HN 0.295 nan 8.360 nan 0.000 0.449 506 M N -0.845 118.745 119.600 -0.016 0.000 2.108 506 M HA -0.180 4.300 4.480 0.001 0.000 0.261 506 M C 1.246 177.323 176.300 -0.372 0.000 1.066 506 M CA 1.545 56.716 55.300 -0.215 0.000 1.107 506 M CB -0.295 32.112 32.600 -0.322 0.000 1.356 506 M HN 0.157 nan 8.290 nan 0.000 0.406 507 Y N -0.635 119.710 120.300 0.076 0.000 2.461 507 Y HA 0.284 4.835 4.550 0.001 0.000 0.277 507 Y C 2.079 178.024 175.900 0.076 0.000 1.182 507 Y CA 0.117 58.259 58.100 0.069 0.000 1.276 507 Y CB -0.819 37.681 38.460 0.066 0.000 1.087 507 Y HN 0.176 nan 8.280 nan 0.000 0.519 508 A N -0.201 122.703 122.820 0.140 0.000 2.125 508 A HA -0.156 4.165 4.320 0.001 0.000 0.219 508 A C 1.973 179.623 177.584 0.110 0.000 1.156 508 A CA 1.966 54.090 52.037 0.144 0.000 0.671 508 A CB -0.824 18.261 19.000 0.142 0.000 0.794 508 A HN 0.390 nan 8.150 nan 0.000 0.459 509 T N -2.976 111.624 114.554 0.076 0.000 3.176 509 T HA 0.260 4.611 4.350 0.001 0.000 0.263 509 T C 0.398 175.144 174.700 0.077 0.000 1.021 509 T CA -0.252 61.884 62.100 0.059 0.000 0.905 509 T CB -0.294 68.590 68.868 0.026 0.000 1.057 509 T HN 0.384 nan 8.240 nan 0.000 0.558 510 K N 2.203 122.680 120.400 0.129 0.000 2.484 510 K HA 0.079 4.399 4.320 0.001 0.000 0.280 510 K C -0.524 176.136 176.600 0.099 0.000 1.013 510 K CA -0.073 56.310 56.287 0.159 0.000 1.029 510 K CB 0.359 33.001 32.500 0.237 0.000 0.902 510 K HN 0.095 nan 8.250 nan 0.000 0.481 511 R N 4.086 124.634 120.500 0.079 0.000 2.473 511 R HA 0.172 4.513 4.340 0.001 0.000 0.303 511 R C -1.145 175.181 176.300 0.043 0.000 1.002 511 R CA -0.566 55.564 56.100 0.051 0.000 0.884 511 R CB 1.703 32.027 30.300 0.039 0.000 1.173 511 R HN 0.765 nan 8.270 nan 0.000 0.464 512 Q N 1.528 121.347 119.800 0.031 0.000 2.305 512 Q HA 0.452 4.793 4.340 0.001 0.000 0.271 512 Q C -0.927 175.076 176.000 0.006 0.000 1.046 512 Q CA -0.485 55.329 55.803 0.019 0.000 0.798 512 Q CB 2.121 30.869 28.738 0.017 0.000 1.286 512 Q HN 0.675 nan 8.270 nan 0.000 0.435 513 T N 0.469 115.024 114.554 0.002 0.000 2.938 513 T HA 0.728 5.078 4.350 0.001 0.000 0.285 513 T C -0.305 174.388 174.700 -0.011 0.000 1.028 513 T CA -0.949 61.148 62.100 -0.005 0.000 1.005 513 T CB 1.582 70.448 68.868 -0.003 0.000 1.157 513 T HN 0.510 nan 8.240 nan 0.000 0.550 514 R N 0.397 120.889 120.500 -0.014 0.000 2.854 514 R HA 0.553 4.893 4.340 0.001 0.000 0.271 514 R C -2.737 173.555 176.300 -0.014 0.000 0.994 514 R CA -1.834 54.256 56.100 -0.018 0.000 0.945 514 R CB 0.921 31.209 30.300 -0.021 0.000 1.194 514 R HN 0.571 nan 8.270 nan 0.000 0.476 515 P HA 0.041 nan 4.420 nan 0.000 0.267 515 P C -0.807 176.487 177.300 -0.011 0.000 1.200 515 P CA -0.025 63.068 63.100 -0.012 0.000 0.772 515 P CB 0.418 32.111 31.700 -0.012 0.000 0.855 516 A N 3.096 125.909 122.820 -0.012 0.000 2.488 516 A HA 0.445 4.765 4.320 0.001 0.000 0.249 516 A C 0.373 177.945 177.584 -0.021 0.000 1.083 516 A CA 0.380 52.408 52.037 -0.015 0.000 0.768 516 A CB -0.401 18.591 19.000 -0.014 0.000 1.017 516 A HN 0.660 nan 8.150 nan 0.000 0.496 517 K N 1.307 121.691 120.400 -0.027 0.000 2.625 517 K HA 0.334 4.655 4.320 0.001 0.000 0.284 517 K C -0.393 176.163 176.600 -0.074 0.000 0.984 517 K CA -0.891 55.365 56.287 -0.051 0.000 0.865 517 K CB 0.958 33.438 32.500 -0.033 0.000 1.468 517 K HN 0.297 nan 8.250 nan 0.000 0.407 518 K N -0.015 120.287 120.400 -0.164 0.000 2.057 518 K HA -0.081 4.240 4.320 0.001 0.000 0.206 518 K C -0.117 176.414 176.600 -0.114 0.000 1.050 518 K CA 1.966 58.141 56.287 -0.187 0.000 0.935 518 K CB -0.298 31.989 32.500 -0.355 0.000 0.715 518 K HN 0.818 nan 8.250 nan 0.000 0.439 519 H N -4.287 114.800 119.070 0.028 0.000 2.951 519 H HA 0.363 4.920 4.556 0.001 0.000 0.292 519 H C -0.316 175.067 175.328 0.090 0.000 1.412 519 H CA -0.701 55.377 56.048 0.050 0.000 1.206 519 H CB 0.190 29.970 29.762 0.029 0.000 1.862 519 H HN 0.047 nan 8.280 nan 0.000 0.502 520 G N -0.431 108.594 108.800 0.375 0.000 2.535 520 G HA2 0.306 4.267 3.960 0.001 0.000 0.282 520 G HA3 0.306 4.267 3.960 0.001 0.000 0.282 520 G C -0.606 174.527 174.900 0.387 0.000 1.350 520 G CA -0.930 44.407 45.100 0.395 0.000 1.039 520 G HN 0.683 nan 8.290 nan 0.000 0.509 521 N N 0.013 118.872 118.700 0.266 0.000 2.936 521 N HA 0.163 4.903 4.740 0.001 0.000 0.243 521 N C -1.045 174.329 175.510 -0.227 0.000 1.149 521 N CA -0.355 52.741 53.050 0.076 0.000 0.914 521 N CB 0.956 39.491 38.487 0.079 0.000 1.179 521 N HN 0.341 nan 8.380 nan 0.000 0.502 522 F N 2.662 122.242 119.950 -0.618 0.000 2.578 522 F HA 0.156 4.683 4.527 0.001 0.000 0.381 522 F C -1.521 173.975 175.800 -0.508 0.000 1.069 522 F CA -1.007 56.392 58.000 -1.002 0.000 1.231 522 F CB 0.519 39.121 39.000 -0.662 0.000 1.086 522 F HN 0.278 nan 8.300 nan 0.000 0.564 523 P HA 0.055 nan 4.420 nan 0.000 0.266 523 P C -0.726 176.334 177.300 -0.400 0.000 1.195 523 P CA -0.243 62.534 63.100 -0.537 0.000 0.768 523 P CB 0.468 31.843 31.700 -0.541 0.000 0.838 524 C N 0.000 119.149 119.300 -0.251 0.000 2.653 524 C HA 0.000 4.460 4.460 0.001 0.000 0.325 524 C CA 0.000 58.913 59.018 -0.175 0.000 1.963 524 C CB 0.000 27.676 27.740 -0.106 0.000 2.134 524 C HN 0.000 nan 8.230 nan 0.000 0.568