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_A 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 0.000 176.862 176.870 -0.014 0.000 1.165 9 L CA 0.000 54.829 54.840 -0.018 0.000 0.813 9 L CB 0.000 42.045 42.059 -0.024 0.000 0.961 10 A N 0.664 123.477 122.820 -0.013 0.000 2.448 10 A HA 0.375 4.696 4.320 0.001 0.000 0.239 10 A C 1.169 178.746 177.584 -0.011 0.000 1.080 10 A CA 0.553 52.584 52.037 -0.010 0.000 0.779 10 A CB 0.459 19.454 19.000 -0.008 0.000 1.026 10 A HN 0.950 nan 8.150 nan 0.000 0.499 11 S N -0.065 115.630 115.700 -0.009 0.000 2.496 11 S HA 0.067 4.537 4.470 0.001 0.000 0.224 11 S C 0.837 175.431 174.600 -0.009 0.000 0.996 11 S CA 0.850 59.045 58.200 -0.009 0.000 0.927 11 S CB -0.683 62.513 63.200 -0.007 0.000 0.774 11 S HN 1.350 nan 8.310 nan 0.000 0.524 12 T N -1.981 112.568 114.554 -0.009 0.000 2.942 12 T HA 0.620 4.971 4.350 0.001 0.000 0.289 12 T C 0.666 175.360 174.700 -0.010 0.000 1.044 12 T CA -0.800 61.295 62.100 -0.008 0.000 1.023 12 T CB 1.460 70.324 68.868 -0.006 0.000 1.123 12 T HN -0.035 nan 8.240 nan 0.000 0.512 13 M N 0.801 120.394 119.600 -0.010 0.000 2.117 13 M HA 0.047 4.527 4.480 0.001 0.000 0.262 13 M C 1.844 178.139 176.300 -0.009 0.000 1.065 13 M CA 1.773 57.066 55.300 -0.012 0.000 1.114 13 M CB -1.158 31.436 32.600 -0.011 0.000 1.361 13 M HN 0.809 nan 8.290 nan 0.000 0.408 14 E N -0.232 119.964 120.200 -0.006 0.000 2.097 14 E HA -0.103 4.248 4.350 0.001 0.000 0.196 14 E C 2.004 178.602 176.600 -0.002 0.000 1.000 14 E CA 1.630 58.028 56.400 -0.003 0.000 0.804 14 E CB -1.043 28.655 29.700 -0.002 0.000 0.740 14 E HN 0.676 nan 8.360 nan 0.000 0.454 15 G N 0.345 109.143 108.800 -0.004 0.000 2.402 15 G HA2 -0.274 3.686 3.960 0.001 0.000 0.216 15 G HA3 -0.274 3.686 3.960 0.001 0.000 0.216 15 G C 1.489 176.386 174.900 -0.005 0.000 1.162 15 G CA 0.592 45.690 45.100 -0.003 0.000 0.777 15 G HN 0.139 nan 8.290 nan 0.000 0.539 16 R N -0.239 120.255 120.500 -0.010 0.000 2.115 16 R HA 0.021 4.361 4.340 0.001 0.000 0.230 16 R C 2.555 178.847 176.300 -0.013 0.000 1.111 16 R CA 0.795 56.885 56.100 -0.017 0.000 0.976 16 R CB -0.352 29.933 30.300 -0.025 0.000 0.870 16 R HN 0.301 nan 8.270 nan 0.000 0.445 17 V N 1.236 121.146 119.914 -0.007 0.000 2.358 17 V HA -0.201 3.919 4.120 0.001 0.000 0.246 17 V C 1.927 178.028 176.094 0.011 0.000 1.047 17 V CA 1.727 64.027 62.300 0.001 0.000 1.035 17 V CB -0.308 31.517 31.823 0.002 0.000 0.658 17 V HN 0.333 nan 8.190 nan 0.000 0.452 18 E N -0.356 119.850 120.200 0.010 0.000 2.072 18 E HA -0.244 4.107 4.350 0.001 0.000 0.191 18 E C 2.322 178.935 176.600 0.021 0.000 0.985 18 E CA 1.183 57.592 56.400 0.016 0.000 0.801 18 E CB -0.134 29.573 29.700 0.011 0.000 0.750 18 E HN 0.662 nan 8.360 nan 0.000 0.452 19 Q N 0.327 120.136 119.800 0.014 0.000 2.124 19 Q HA -0.163 4.177 4.340 0.001 0.000 0.202 19 Q C 2.341 178.359 176.000 0.031 0.000 0.977 19 Q CA 0.835 56.648 55.803 0.017 0.000 0.850 19 Q CB -0.130 28.608 28.738 0.001 0.000 0.901 19 Q HN 0.192 nan 8.270 nan 0.000 0.429 20 L N 0.848 122.084 121.223 0.021 0.000 2.017 20 L HA -0.135 4.206 4.340 0.001 0.000 0.208 20 L C 2.184 179.125 176.870 0.118 0.000 1.073 20 L CA 2.164 57.029 54.840 0.042 0.000 0.745 20 L CB -0.858 41.207 42.059 0.011 0.000 0.894 20 L HN 0.111 nan 8.230 nan 0.000 0.432 21 A N -0.713 122.155 122.820 0.081 0.000 1.908 21 A HA -0.243 4.078 4.320 0.001 0.000 0.218 21 A C 2.164 179.798 177.584 0.082 0.000 1.181 21 A CA 1.945 54.030 52.037 0.081 0.000 0.627 21 A CB -0.673 18.358 19.000 0.051 0.000 0.818 21 A HN 0.645 nan 8.150 nan 0.000 0.445 22 E N -0.466 119.776 120.200 0.070 0.000 2.072 22 E HA -0.201 4.149 4.350 0.001 0.000 0.191 22 E C 2.300 178.953 176.600 0.089 0.000 0.985 22 E CA 1.310 57.748 56.400 0.063 0.000 0.801 22 E CB -0.186 29.542 29.700 0.047 0.000 0.750 22 E HN 0.741 nan 8.360 nan 0.000 0.452 23 Q N 0.316 120.197 119.800 0.134 0.000 2.119 23 Q HA -0.120 4.220 4.340 0.001 0.000 0.201 23 Q C 2.230 178.368 176.000 0.229 0.000 0.972 23 Q CA 0.816 56.744 55.803 0.208 0.000 0.847 23 Q CB -0.110 28.794 28.738 0.276 0.000 0.903 23 Q HN 0.124 nan 8.270 nan 0.000 0.433 24 R N 1.067 121.709 120.500 0.238 0.000 2.096 24 R HA -0.202 4.139 4.340 0.001 0.000 0.235 24 R C 2.294 178.581 176.300 -0.021 0.000 1.127 24 R CA 1.606 57.735 56.100 0.047 0.000 0.968 24 R CB -0.043 30.324 30.300 0.111 0.000 0.861 24 R HN 0.288 nan 8.270 nan 0.000 0.440 25 Q N 0.129 119.946 119.800 0.029 0.000 2.084 25 Q HA -0.140 4.201 4.340 0.001 0.000 0.202 25 Q C 1.908 177.910 176.000 0.002 0.000 0.978 25 Q CA 1.926 57.738 55.803 0.014 0.000 0.844 25 Q CB 0.064 28.818 28.738 0.028 0.000 0.898 25 Q HN 0.267 nan 8.270 nan 0.000 0.426 26 V N 1.211 121.135 119.914 0.016 0.000 2.343 26 V HA -0.278 3.843 4.120 0.001 0.000 0.247 26 V C 2.416 178.499 176.094 -0.018 0.000 1.051 26 V CA 1.341 63.648 62.300 0.011 0.000 1.036 26 V CB -0.522 31.323 31.823 0.035 0.000 0.654 26 V HN 0.447 nan 8.190 nan 0.000 0.451 27 I N 0.133 120.670 120.570 -0.056 0.000 2.179 27 I HA -0.215 3.956 4.170 0.001 0.000 0.242 27 I C 2.484 178.548 176.117 -0.088 0.000 1.088 27 I CA 1.678 62.912 61.300 -0.111 0.000 1.357 27 I CB -1.188 36.639 38.000 -0.289 0.000 1.051 27 I HN 0.468 nan 8.210 nan 0.000 0.409 28 E N 0.648 120.801 120.200 -0.078 0.000 2.338 28 E HA -0.097 4.253 4.350 0.001 0.000 0.197 28 E C 2.093 178.674 176.600 -0.031 0.000 1.007 28 E CA 0.876 57.248 56.400 -0.047 0.000 0.849 28 E CB -0.040 29.643 29.700 -0.029 0.000 0.774 28 E HN 0.452 nan 8.360 nan 0.000 0.506 29 A N 1.032 123.836 122.820 -0.027 0.000 2.168 29 A HA 0.151 4.471 4.320 0.001 0.000 0.215 29 A C 1.561 179.127 177.584 -0.030 0.000 1.152 29 A CA 0.975 52.999 52.037 -0.021 0.000 0.716 29 A CB -0.679 18.314 19.000 -0.012 0.000 0.794 29 A HN 0.330 nan 8.150 nan 0.000 0.465 30 G N -0.759 108.020 108.800 -0.034 0.000 2.622 30 G HA2 -0.232 3.729 3.960 0.001 0.000 0.307 30 G HA3 -0.232 3.729 3.960 0.001 0.000 0.307 30 G C 1.307 176.184 174.900 -0.038 0.000 1.226 30 G CA 0.431 45.509 45.100 -0.037 0.000 0.997 30 G HN 1.350 nan 8.290 nan 0.000 0.551 31 G N 0.663 109.435 108.800 -0.046 0.000 2.776 31 G HA2 0.512 4.473 3.960 0.001 0.000 0.209 31 G HA3 0.512 4.473 3.960 0.001 0.000 0.209 31 G C 1.422 176.299 174.900 -0.040 0.000 1.145 31 G CA 1.602 46.672 45.100 -0.051 0.000 0.791 31 G HN 2.591 nan 8.290 nan 0.000 0.530 32 G N -0.650 108.129 108.800 -0.034 0.000 2.662 32 G HA2 -0.179 3.781 3.960 0.001 0.000 0.686 32 G HA3 -0.179 3.781 3.960 0.001 0.000 0.686 32 G C 0.359 175.243 174.900 -0.027 0.000 1.271 32 G CA 0.285 45.370 45.100 -0.025 0.000 0.816 32 G HN 0.223 nan 8.290 nan 0.000 0.608 33 E N -0.122 120.069 120.200 -0.016 0.000 2.086 33 E HA -0.292 4.059 4.350 0.001 0.000 0.205 33 E C 2.438 179.030 176.600 -0.013 0.000 1.027 33 E CA 1.889 58.283 56.400 -0.010 0.000 0.830 33 E CB -0.068 29.633 29.700 0.002 0.000 0.751 33 E HN 0.555 nan 8.360 nan 0.000 0.456 34 R N 0.144 120.639 120.500 -0.009 0.000 2.080 34 R HA -0.148 4.192 4.340 0.001 0.000 0.236 34 R C 2.539 178.833 176.300 -0.010 0.000 1.137 34 R CA 1.834 57.931 56.100 -0.004 0.000 0.943 34 R CB -0.109 30.190 30.300 -0.001 0.000 0.846 34 R HN 0.126 nan 8.270 nan 0.000 0.431 35 R N -0.261 120.228 120.500 -0.020 0.000 2.096 35 R HA -0.075 4.265 4.340 0.001 0.000 0.235 35 R C 2.273 178.550 176.300 -0.040 0.000 1.127 35 R CA 1.383 57.473 56.100 -0.018 0.000 0.968 35 R CB -0.206 30.073 30.300 -0.034 0.000 0.861 35 R HN 0.143 nan 8.270 nan 0.000 0.440 36 V N 1.105 120.969 119.914 -0.083 0.000 2.358 36 V HA -0.191 3.930 4.120 0.001 0.000 0.246 36 V C 2.407 178.356 176.094 -0.242 0.000 1.047 36 V CA 1.570 63.751 62.300 -0.199 0.000 1.035 36 V CB -0.374 31.338 31.823 -0.186 0.000 0.658 36 V HN 0.257 nan 8.190 nan 0.000 0.452 37 E N 0.592 120.745 120.200 -0.079 0.000 2.106 37 E HA -0.226 4.124 4.350 0.001 0.000 0.192 37 E C 2.261 178.874 176.600 0.022 0.000 0.984 37 E CA 1.384 57.791 56.400 0.011 0.000 0.806 37 E CB -0.153 29.570 29.700 0.037 0.000 0.750 37 E HN 0.593 nan 8.360 nan 0.000 0.458 38 K N 0.424 120.828 120.400 0.008 0.000 2.026 38 K HA -0.247 4.073 4.320 0.001 0.000 0.208 38 K C 2.249 178.873 176.600 0.040 0.000 1.048 38 K CA 1.821 58.131 56.287 0.037 0.000 0.929 38 K CB -0.090 32.442 32.500 0.054 0.000 0.713 38 K HN -0.048 nan 8.250 nan 0.000 0.439 39 Q N 0.302 120.104 119.800 0.003 0.000 2.030 39 Q HA -0.200 4.141 4.340 0.001 0.000 0.204 39 Q C 1.711 177.731 176.000 0.033 0.000 0.986 39 Q CA 2.174 57.974 55.803 -0.005 0.000 0.843 39 Q CB -0.270 28.426 28.738 -0.071 0.000 0.904 39 Q HN 0.593 nan 8.270 nan 0.000 0.420 40 H N -0.847 118.230 119.070 0.011 0.000 2.387 40 H HA -0.089 4.467 4.556 0.001 0.000 0.299 40 H C 2.253 177.581 175.328 0.000 0.000 1.090 40 H CA 1.069 57.116 56.048 -0.002 0.000 1.332 40 H CB 0.046 29.805 29.762 -0.004 0.000 1.386 40 H HN 0.489 nan 8.280 nan 0.000 0.516 41 S N 0.776 116.555 115.700 0.132 0.000 2.423 41 S HA -0.177 4.294 4.470 0.001 0.000 0.231 41 S C 1.669 176.301 174.600 0.053 0.000 1.014 41 S CA 0.953 59.198 58.200 0.076 0.000 0.965 41 S CB -0.081 63.154 63.200 0.058 0.000 0.785 41 S HN 0.498 nan 8.310 nan 0.000 0.495 42 Q N 0.717 120.547 119.800 0.050 0.000 2.415 42 Q HA 0.304 4.645 4.340 0.001 0.000 0.206 42 Q C 1.129 177.143 176.000 0.023 0.000 0.946 42 Q CA 0.187 56.006 55.803 0.027 0.000 0.951 42 Q CB -0.140 28.602 28.738 0.006 0.000 1.026 42 Q HN 0.788 nan 8.270 nan 0.000 0.510 43 G N 1.700 110.523 108.800 0.038 0.000 2.160 43 G HA2 -0.298 3.663 3.960 0.001 0.000 0.251 43 G HA3 -0.298 3.663 3.960 0.001 0.000 0.251 43 G C -0.265 174.651 174.900 0.026 0.000 1.008 43 G CA 0.198 45.313 45.100 0.026 0.000 0.724 43 G HN 0.242 nan 8.290 nan 0.000 0.514 44 K N -0.059 120.369 120.400 0.047 0.000 2.207 44 K HA 0.545 4.865 4.320 0.001 0.000 0.255 44 K C 0.496 177.155 176.600 0.098 0.000 0.941 44 K CA -0.687 55.620 56.287 0.033 0.000 0.825 44 K CB 1.574 34.067 32.500 -0.012 0.000 1.119 44 K HN 0.329 nan 8.250 nan 0.000 0.430 45 Q N 0.629 120.456 119.800 0.045 0.000 2.317 45 Q HA 0.165 4.506 4.340 0.001 0.000 0.229 45 Q C 0.174 176.173 176.000 -0.002 0.000 0.984 45 Q CA -0.477 55.365 55.803 0.065 0.000 0.911 45 Q CB 1.075 29.785 28.738 -0.046 0.000 1.217 45 Q HN 0.688 nan 8.270 nan 0.000 0.501 46 T N -2.472 112.078 114.554 -0.007 0.000 2.816 46 T HA 0.389 4.739 4.350 0.001 0.000 0.282 46 T C 1.076 175.696 174.700 -0.134 0.000 0.993 46 T CA -0.207 61.846 62.100 -0.078 0.000 0.994 46 T CB 0.999 69.816 68.868 -0.085 0.000 1.025 46 T HN 0.646 nan 8.240 nan 0.000 0.529 47 A N 1.042 123.794 122.820 -0.114 0.000 1.917 47 A HA -0.120 4.201 4.320 0.001 0.000 0.219 47 A C 2.550 179.993 177.584 -0.234 0.000 1.182 47 A CA 1.510 53.452 52.037 -0.158 0.000 0.633 47 A CB -0.766 18.198 19.000 -0.060 0.000 0.819 47 A HN 0.901 nan 8.150 nan 0.000 0.448 48 R N -0.781 119.617 120.500 -0.170 0.000 2.119 48 R HA -0.028 4.313 4.340 0.001 0.000 0.222 48 R C 2.075 178.248 176.300 -0.212 0.000 1.088 48 R CA 1.209 57.195 56.100 -0.189 0.000 0.984 48 R CB -0.191 30.052 30.300 -0.094 0.000 0.884 48 R HN 0.675 nan 8.270 nan 0.000 0.447 49 E N 0.408 120.506 120.200 -0.171 0.000 2.072 49 E HA -0.142 4.208 4.350 0.001 0.000 0.191 49 E C 2.013 178.463 176.600 -0.250 0.000 0.985 49 E CA 0.909 57.218 56.400 -0.152 0.000 0.801 49 E CB 0.094 29.753 29.700 -0.068 0.000 0.750 49 E HN 0.221 nan 8.360 nan 0.000 0.452 50 R N 0.406 120.666 120.500 -0.400 0.000 2.083 50 R HA -0.139 4.201 4.340 0.001 0.000 0.237 50 R C 2.429 178.379 176.300 -0.584 0.000 1.137 50 R CA 1.151 56.830 56.100 -0.702 0.000 0.951 50 R CB -0.312 29.150 30.300 -1.397 0.000 0.851 50 R HN 0.171 nan 8.270 nan 0.000 0.434 51 L N 0.256 121.174 121.223 -0.508 0.000 2.056 51 L HA -0.168 4.172 4.340 0.001 0.000 0.207 51 L C 2.185 178.882 176.870 -0.289 0.000 1.078 51 L CA 1.174 55.785 54.840 -0.382 0.000 0.749 51 L CB -0.449 41.200 42.059 -0.683 0.000 0.901 51 L HN 0.222 nan 8.230 nan 0.000 0.433 52 N N 0.109 118.649 118.700 -0.267 0.000 2.223 52 N HA -0.174 4.566 4.740 0.001 0.000 0.185 52 N C 1.570 177.002 175.510 -0.129 0.000 1.016 52 N CA 1.151 54.099 53.050 -0.170 0.000 0.863 52 N CB 0.017 38.421 38.487 -0.138 0.000 0.983 52 N HN 0.222 nan 8.380 nan 0.000 0.429 53 N N -0.125 118.497 118.700 -0.129 0.000 2.333 53 N HA -0.056 4.684 4.740 0.001 0.000 0.178 53 N C 1.498 176.981 175.510 -0.045 0.000 1.018 53 N CA 0.316 53.314 53.050 -0.086 0.000 0.882 53 N CB -0.182 38.255 38.487 -0.084 0.000 0.984 53 N HN 0.275 nan 8.380 nan 0.000 0.434 54 L N 0.997 122.211 121.223 -0.015 0.000 2.068 54 L HA 0.135 4.476 4.340 0.001 0.000 0.204 54 L C 0.509 177.378 176.870 -0.002 0.000 1.076 54 L CA 1.045 55.910 54.840 0.042 0.000 0.753 54 L CB -0.303 41.862 42.059 0.176 0.000 0.910 54 L HN -0.038 nan 8.230 nan 0.000 0.439 55 L N 0.728 121.939 121.223 -0.021 0.000 2.418 55 L HA 0.173 4.514 4.340 0.001 0.000 0.265 55 L C -0.069 176.789 176.870 -0.020 0.000 1.143 55 L CA -0.883 53.951 54.840 -0.010 0.000 0.809 55 L CB 0.096 42.159 42.059 0.008 0.000 1.124 55 L HN 0.085 nan 8.230 nan 0.000 0.456 56 D N 2.103 122.501 120.400 -0.004 0.000 2.472 56 D HA 0.062 4.702 4.640 0.001 0.000 0.237 56 D C -2.179 174.109 176.300 -0.021 0.000 1.141 56 D CA -0.735 53.260 54.000 -0.009 0.000 0.875 56 D CB 0.251 41.058 40.800 0.011 0.000 1.192 56 D HN 0.222 nan 8.370 nan 0.000 0.450 57 P HA -0.101 nan 4.420 nan 0.000 0.260 57 P C 0.016 177.247 177.300 -0.114 0.000 1.172 57 P CA 0.698 63.682 63.100 -0.193 0.000 0.760 57 P CB 0.144 31.758 31.700 -0.143 0.000 0.773 58 H N 0.279 119.373 119.070 0.039 0.000 3.395 58 H HA -0.163 4.394 4.556 0.001 0.000 0.222 58 H C 1.165 176.525 175.328 0.054 0.000 1.099 58 H CA 1.421 57.496 56.048 0.045 0.000 1.182 58 H CB -1.988 27.789 29.762 0.025 0.000 1.188 58 H HN 0.564 nan 8.280 nan 0.000 0.317 59 S N -0.602 115.179 115.700 0.135 0.000 2.528 59 S HA 0.036 4.506 4.470 0.001 0.000 0.219 59 S C 0.579 175.262 174.600 0.139 0.000 0.985 59 S CA -0.301 57.965 58.200 0.111 0.000 0.914 59 S CB -0.028 63.219 63.200 0.079 0.000 0.776 59 S HN 0.246 nan 8.310 nan 0.000 0.526 60 F N 4.034 123.983 119.950 -0.001 0.000 2.541 60 F HA 0.347 4.874 4.527 0.001 0.000 0.378 60 F C 0.010 175.810 175.800 0.000 0.000 1.068 60 F CA -1.213 56.782 58.000 -0.009 0.000 1.199 60 F CB 0.299 39.290 39.000 -0.015 0.000 1.091 60 F HN 0.063 nan 8.300 nan 0.000 0.555 61 D N 6.169 126.253 120.400 -0.527 0.000 2.460 61 D HA 0.082 4.722 4.640 0.001 0.000 0.232 61 D C -0.535 175.287 176.300 -0.796 0.000 1.079 61 D CA -0.288 53.424 54.000 -0.480 0.000 0.864 61 D CB 0.488 41.153 40.800 -0.225 0.000 1.048 61 D HN 0.717 nan 8.370 nan 0.000 0.523 62 E N 2.241 121.891 120.200 -0.917 0.000 2.354 62 E HA 0.286 4.636 4.350 0.001 0.000 0.269 62 E C -0.915 175.528 176.600 -0.262 0.000 1.036 62 E CA -0.514 55.455 56.400 -0.718 0.000 0.876 62 E CB 1.081 30.519 29.700 -0.438 0.000 1.009 62 E HN 0.112 nan 8.360 nan 0.000 0.416 63 V N 3.670 123.506 119.914 -0.130 0.000 2.495 63 V HA 0.479 4.600 4.120 0.001 0.000 0.298 63 V C 0.720 176.819 176.094 0.007 0.000 1.031 63 V CA 0.218 62.498 62.300 -0.033 0.000 0.871 63 V CB 1.344 33.170 31.823 0.004 0.000 0.988 63 V HN 1.016 nan 8.190 nan 0.000 0.432 64 G N 3.899 112.717 108.800 0.030 0.000 2.160 64 G HA2 -0.169 3.792 3.960 0.001 0.000 0.244 64 G HA3 -0.169 3.792 3.960 0.001 0.000 0.244 64 G C 0.930 175.840 174.900 0.016 0.000 1.022 64 G CA 0.510 45.638 45.100 0.046 0.000 0.741 64 G HN 1.363 nan 8.290 nan 0.000 0.508 65 A N -0.560 122.233 122.820 -0.046 0.000 1.940 65 A HA 0.272 4.593 4.320 0.001 0.000 0.219 65 A C 1.716 179.128 177.584 -0.286 0.000 1.176 65 A CA 1.923 53.828 52.037 -0.219 0.000 0.631 65 A CB -0.310 18.440 19.000 -0.417 0.000 0.814 65 A HN 0.815 nan 8.150 nan 0.000 0.446 66 F N -0.647 119.312 119.950 0.016 0.000 2.692 66 F HA 0.278 4.806 4.527 0.001 0.000 0.303 66 F C 0.951 176.760 175.800 0.015 0.000 1.114 66 F CA -0.315 57.694 58.000 0.015 0.000 1.361 66 F CB -0.010 38.994 39.000 0.006 0.000 1.063 66 F HN 0.004 nan 8.300 nan 0.000 0.550 67 R N 2.277 122.860 120.500 0.139 0.000 2.491 67 R HA 0.273 4.613 4.340 0.001 0.000 0.283 67 R C -0.763 175.593 176.300 0.092 0.000 1.072 67 R CA 0.250 56.408 56.100 0.097 0.000 1.048 67 R CB 0.338 30.676 30.300 0.064 0.000 0.983 67 R HN 0.103 nan 8.270 nan 0.000 0.450 68 K N 3.101 123.547 120.400 0.077 0.000 2.426 68 K HA 0.239 4.560 4.320 0.001 0.000 0.251 68 K C -0.777 175.855 176.600 0.053 0.000 0.941 68 K CA -1.088 55.254 56.287 0.092 0.000 0.808 68 K CB 1.399 33.918 32.500 0.030 0.000 1.265 68 K HN 0.787 nan 8.250 nan 0.000 0.432 69 H N 1.392 120.469 119.070 0.012 0.000 2.913 69 H HA 0.102 4.658 4.556 0.001 0.000 0.365 69 H C -0.046 175.285 175.328 0.006 0.000 1.155 69 H CA 0.322 56.373 56.048 0.005 0.000 1.417 69 H CB 0.826 30.591 29.762 0.004 0.000 1.386 69 H HN 0.586 nan 8.280 nan 0.000 0.614 70 R N 0.472 120.927 120.500 -0.074 0.000 2.365 70 R HA 0.050 4.391 4.340 0.001 0.000 0.223 70 R C 0.244 176.509 176.300 -0.059 0.000 0.899 70 R CA 0.456 56.483 56.100 -0.123 0.000 1.059 70 R CB 0.327 30.595 30.300 -0.053 0.000 1.086 70 R HN 0.817 nan 8.270 nan 0.000 0.522 71 T N -0.437 114.159 114.554 0.069 0.000 2.937 71 T HA 0.019 4.370 4.350 0.001 0.000 0.316 71 T C 1.221 175.996 174.700 0.124 0.000 1.079 71 T CA 0.348 62.522 62.100 0.124 0.000 1.131 71 T CB 1.356 70.333 68.868 0.181 0.000 1.000 71 T HN 0.212 nan 8.240 nan 0.000 0.549 72 T N -0.991 113.601 114.554 0.063 0.000 2.992 72 T HA 0.276 4.627 4.350 0.001 0.000 0.255 72 T C 0.727 175.424 174.700 -0.005 0.000 0.938 72 T CA -0.525 61.594 62.100 0.032 0.000 0.895 72 T CB -0.119 68.741 68.868 -0.013 0.000 1.221 72 T HN 0.517 nan 8.240 nan 0.000 0.512 73 L N 1.511 122.713 121.223 -0.035 0.000 2.473 73 L HA 0.347 4.688 4.340 0.001 0.000 0.268 73 L C 0.143 176.976 176.870 -0.060 0.000 1.215 73 L CA -0.645 54.082 54.840 -0.188 0.000 0.823 73 L CB -0.472 41.433 42.059 -0.258 0.000 1.099 73 L HN 0.197 nan 8.230 nan 0.000 0.483 74 F N 1.500 121.463 119.950 0.022 0.000 2.907 74 F HA -0.224 4.303 4.527 0.001 0.000 0.244 74 F C 1.357 177.165 175.800 0.014 0.000 1.007 74 F CA 1.014 59.024 58.000 0.016 0.000 0.872 74 F CB -2.127 36.882 39.000 0.014 0.000 0.767 74 F HN 0.818 nan 8.300 nan 0.000 0.837 75 G N -1.829 107.036 108.800 0.108 0.000 2.268 75 G HA2 -0.392 3.569 3.960 0.001 0.000 0.240 75 G HA3 -0.392 3.569 3.960 0.001 0.000 0.240 75 G C 1.000 175.947 174.900 0.080 0.000 1.010 75 G CA 0.199 45.349 45.100 0.083 0.000 0.618 75 G HN 0.303 nan 8.290 nan 0.000 0.516 76 M N 1.764 121.423 119.600 0.099 0.000 2.144 76 M HA -0.028 4.452 4.480 0.001 0.000 0.260 76 M C 2.257 178.706 176.300 0.248 0.000 1.067 76 M CA 2.416 57.801 55.300 0.141 0.000 1.095 76 M CB -1.378 31.325 32.600 0.172 0.000 1.365 76 M HN 0.638 nan 8.290 nan 0.000 0.406 77 D N -0.135 120.342 120.400 0.128 0.000 2.190 77 D HA -0.214 4.427 4.640 0.001 0.000 0.200 77 D C 1.893 178.242 176.300 0.082 0.000 0.992 77 D CA 1.478 55.524 54.000 0.077 0.000 0.854 77 D CB -0.320 40.493 40.800 0.021 0.000 0.936 77 D HN 0.202 nan 8.370 nan 0.000 0.462 78 K N 0.011 120.461 120.400 0.084 0.000 2.308 78 K HA 0.422 4.743 4.320 0.001 0.000 0.197 78 K C 0.450 177.099 176.600 0.083 0.000 1.049 78 K CA 0.446 56.773 56.287 0.066 0.000 0.991 78 K CB 0.200 32.725 32.500 0.042 0.000 0.836 78 K HN 0.216 nan 8.250 nan 0.000 0.500 79 A N 0.751 123.628 122.820 0.095 0.000 2.531 79 A HA 0.183 4.503 4.320 0.001 0.000 0.236 79 A C -0.391 177.256 177.584 0.105 0.000 1.062 79 A CA -0.007 52.062 52.037 0.054 0.000 0.760 79 A CB 0.221 19.201 19.000 -0.034 0.000 0.995 79 A HN 0.011 nan 8.150 nan 0.000 0.501 80 V N 4.100 124.046 119.914 0.054 0.000 2.313 80 V HA 0.316 4.436 4.120 0.001 0.000 0.278 80 V C -0.352 175.753 176.094 0.019 0.000 1.017 80 V CA -0.312 62.033 62.300 0.075 0.000 0.823 80 V CB 1.192 33.046 31.823 0.052 0.000 1.010 80 V HN 0.596 nan 8.190 nan 0.000 0.443 81 V N 7.155 127.082 119.914 0.022 0.000 2.266 81 V HA 0.312 4.432 4.120 0.001 0.000 0.271 81 V C -2.400 173.703 176.094 0.014 0.000 1.032 81 V CA -2.092 60.183 62.300 -0.041 0.000 0.806 81 V CB 1.154 32.868 31.823 -0.181 0.000 1.052 81 V HN 0.673 nan 8.190 nan 0.000 0.449 82 P HA 0.104 nan 4.420 nan 0.000 0.260 82 P C 0.853 178.146 177.300 -0.012 0.000 1.185 82 P CA 0.983 64.078 63.100 -0.008 0.000 0.763 82 P CB 0.625 32.308 31.700 -0.028 0.000 0.776 83 A N 4.276 127.090 122.820 -0.011 0.000 2.829 83 A HA -0.289 4.031 4.320 0.001 0.000 0.267 83 A C 1.186 178.782 177.584 0.020 0.000 1.370 83 A CA 1.346 53.380 52.037 -0.004 0.000 0.900 83 A CB -2.639 16.350 19.000 -0.018 0.000 1.044 83 A HN 0.618 nan 8.150 nan 0.000 0.691 84 D N -3.716 116.703 120.400 0.031 0.000 2.882 84 D HA -0.014 4.627 4.640 0.001 0.000 0.229 84 D C 1.616 177.918 176.300 0.002 0.000 1.167 84 D CA 3.064 57.079 54.000 0.024 0.000 0.759 84 D CB -1.339 39.492 40.800 0.051 0.000 1.088 84 D HN 2.434 nan 8.370 nan 0.000 0.425 85 G N -2.398 106.402 108.800 -0.001 0.000 2.143 85 G HA2 -0.137 3.823 3.960 0.001 0.000 0.249 85 G HA3 -0.137 3.823 3.960 0.001 0.000 0.249 85 G C 0.206 175.131 174.900 0.042 0.000 0.981 85 G CA 0.355 45.460 45.100 0.008 0.000 0.665 85 G HN 1.211 nan 8.290 nan 0.000 0.528 86 V N -0.053 119.885 119.914 0.040 0.000 2.808 86 V HA 0.672 4.793 4.120 0.001 0.000 0.308 86 V C -0.507 175.614 176.094 0.045 0.000 1.099 86 V CA -0.627 61.706 62.300 0.056 0.000 0.920 86 V CB 2.347 34.201 31.823 0.052 0.000 1.014 86 V HN 0.556 nan 8.190 nan 0.000 0.425 87 V N 5.820 125.767 119.914 0.055 0.000 2.370 87 V HA 0.692 4.813 4.120 0.001 0.000 0.283 87 V C 0.265 176.448 176.094 0.150 0.000 1.023 87 V CA -0.015 62.344 62.300 0.097 0.000 0.857 87 V CB 1.581 33.437 31.823 0.055 0.000 0.985 87 V HN 1.048 nan 8.190 nan 0.000 0.443 88 T N 1.470 116.155 114.554 0.219 0.000 2.907 88 T HA 0.975 5.325 4.350 0.001 0.000 0.292 88 T C -0.051 174.833 174.700 0.308 0.000 1.043 88 T CA -0.069 62.172 62.100 0.236 0.000 1.003 88 T CB 2.310 71.245 68.868 0.111 0.000 1.084 88 T HN 1.266 nan 8.240 nan 0.000 0.483 89 G N 1.239 110.243 108.800 0.340 0.000 2.360 89 G HA2 0.530 4.490 3.960 0.001 0.000 0.276 89 G HA3 0.530 4.490 3.960 0.001 0.000 0.276 89 G C -1.838 173.173 174.900 0.185 0.000 1.256 89 G CA -0.900 44.282 45.100 0.137 0.000 0.890 89 G HN 0.995 nan 8.290 nan 0.000 0.486 90 R N -0.698 119.785 120.500 -0.028 0.000 2.807 90 R HA 0.882 5.223 4.340 0.001 0.000 0.276 90 R C 0.014 176.323 176.300 0.014 0.000 0.979 90 R CA -0.447 55.566 56.100 -0.144 0.000 0.928 90 R CB 2.073 32.105 30.300 -0.447 0.000 1.191 90 R HN 1.547 nan 8.270 nan 0.000 0.471 91 G N -0.022 108.791 108.800 0.022 0.000 2.731 91 G HA2 0.587 4.548 3.960 0.001 0.000 0.309 91 G HA3 0.587 4.548 3.960 0.001 0.000 0.309 91 G C -1.313 173.600 174.900 0.022 0.000 1.273 91 G CA -0.386 44.766 45.100 0.087 0.000 0.798 91 G HN 0.790 nan 8.290 nan 0.000 0.509 92 T N -2.075 112.500 114.554 0.035 0.000 2.903 92 T HA 0.745 5.095 4.350 0.001 0.000 0.299 92 T C -1.014 173.693 174.700 0.011 0.000 1.093 92 T CA -0.589 61.520 62.100 0.015 0.000 1.002 92 T CB 1.951 70.827 68.868 0.014 0.000 1.127 92 T HN 0.522 nan 8.240 nan 0.000 0.488 93 I N 2.812 123.382 120.570 -0.001 0.000 2.439 93 I HA 0.328 4.498 4.170 0.001 0.000 0.283 93 I C -0.548 175.557 176.117 -0.020 0.000 1.023 93 I CA -1.041 60.250 61.300 -0.015 0.000 1.100 93 I CB 1.570 39.554 38.000 -0.026 0.000 1.238 93 I HN 0.681 nan 8.210 nan 0.000 0.445 94 L N 6.894 128.104 121.223 -0.022 0.000 3.678 94 L HA -0.265 4.075 4.340 0.001 0.000 0.425 94 L C 1.291 178.154 176.870 -0.012 0.000 1.240 94 L CA 1.281 56.107 54.840 -0.023 0.000 0.876 94 L CB -1.836 40.200 42.059 -0.037 0.000 1.766 94 L HN 1.082 nan 8.230 nan 0.000 0.917 95 G N -1.721 107.077 108.800 -0.003 0.000 2.234 95 G HA2 -0.357 3.603 3.960 0.001 0.000 0.260 95 G HA3 -0.357 3.603 3.960 0.001 0.000 0.260 95 G C 0.577 175.481 174.900 0.006 0.000 0.987 95 G CA 0.424 45.526 45.100 0.004 0.000 0.625 95 G HN 0.513 nan 8.290 nan 0.000 0.532 96 R N 1.333 121.835 120.500 0.003 0.000 2.298 96 R HA 0.424 4.765 4.340 0.001 0.000 0.310 96 R C -2.551 173.758 176.300 0.014 0.000 1.068 96 R CA -1.675 54.431 56.100 0.010 0.000 0.957 96 R CB 0.679 30.983 30.300 0.006 0.000 1.003 96 R HN 0.135 nan 8.270 nan 0.000 0.454 97 P HA -0.027 nan 4.420 nan 0.000 0.267 97 P C -0.778 176.539 177.300 0.029 0.000 1.205 97 P CA -0.087 63.020 63.100 0.012 0.000 0.765 97 P CB 0.868 32.585 31.700 0.028 0.000 0.828 98 V N 0.828 120.737 119.914 -0.009 0.000 3.159 98 V HA 0.623 4.744 4.120 0.001 0.000 0.308 98 V C -1.169 174.893 176.094 -0.053 0.000 1.190 98 V CA -0.872 61.459 62.300 0.051 0.000 1.037 98 V CB 2.182 34.035 31.823 0.049 0.000 1.060 98 V HN 0.411 nan 8.190 nan 0.000 0.437 99 H N 0.767 119.939 119.070 0.170 0.000 2.569 99 H HA 0.965 5.522 4.556 0.001 0.000 0.357 99 H C 0.077 175.541 175.328 0.227 0.000 1.153 99 H CA 0.555 56.744 56.048 0.235 0.000 1.193 99 H CB 1.956 31.889 29.762 0.284 0.000 1.602 99 H HN 1.303 nan 8.280 nan 0.000 0.523 100 A N 1.277 124.268 122.820 0.286 0.000 2.587 100 A HA 0.868 5.189 4.320 0.001 0.000 0.293 100 A C -1.447 176.195 177.584 0.096 0.000 1.087 100 A CA -0.188 51.885 52.037 0.059 0.000 0.692 100 A CB 1.376 20.396 19.000 0.033 0.000 1.291 100 A HN 0.816 nan 8.150 nan 0.000 0.407 101 A N -0.060 122.699 122.820 -0.101 0.000 2.498 101 A HA 0.906 5.227 4.320 0.001 0.000 0.298 101 A C -0.506 177.116 177.584 0.063 0.000 1.075 101 A CA -0.136 51.816 52.037 -0.142 0.000 0.714 101 A CB 1.662 20.282 19.000 -0.633 0.000 1.299 101 A HN 1.940 nan 8.150 nan 0.000 0.407 102 S N 0.790 116.560 115.700 0.117 0.000 2.750 102 S HA 0.337 4.808 4.470 0.001 0.000 0.276 102 S C -1.007 173.706 174.600 0.189 0.000 1.165 102 S CA -0.386 57.951 58.200 0.228 0.000 1.047 102 S CB 0.674 63.885 63.200 0.020 0.000 1.056 102 S HN 0.702 nan 8.310 nan 0.000 0.481 103 Q N 2.333 122.312 119.800 0.298 0.000 2.337 103 Q HA 0.136 4.477 4.340 0.001 0.000 0.270 103 Q C -0.768 175.321 176.000 0.149 0.000 1.002 103 Q CA 0.081 56.022 55.803 0.229 0.000 0.888 103 Q CB 0.623 29.513 28.738 0.253 0.000 1.222 103 Q HN 0.532 nan 8.270 nan 0.000 0.400 104 D N 2.566 123.032 120.400 0.110 0.000 2.467 104 D HA 0.032 4.673 4.640 0.001 0.000 0.220 104 D C -0.035 176.327 176.300 0.103 0.000 1.103 104 D CA -0.324 53.722 54.000 0.077 0.000 0.886 104 D CB 0.248 41.063 40.800 0.024 0.000 1.025 104 D HN 0.468 nan 8.370 nan 0.000 0.514 105 F N 2.604 122.556 119.950 0.003 0.000 2.269 105 F HA -0.181 4.347 4.527 0.001 0.000 0.301 105 F C 2.348 178.143 175.800 -0.009 0.000 1.082 105 F CA 1.778 59.782 58.000 0.007 0.000 1.360 105 F CB -0.113 38.892 39.000 0.008 0.000 1.041 105 F HN 0.399 nan 8.300 nan 0.000 0.512 106 T N -2.356 112.190 114.554 -0.013 0.000 3.051 106 T HA -0.003 4.347 4.350 0.001 0.000 0.269 106 T C 0.690 175.305 174.700 -0.142 0.000 1.127 106 T CA 0.699 62.744 62.100 -0.093 0.000 1.107 106 T CB -0.882 67.961 68.868 -0.041 0.000 0.898 106 T HN -0.081 nan 8.240 nan 0.000 0.517 107 V N 2.919 122.755 119.914 -0.132 0.000 2.294 107 V HA 0.396 4.517 4.120 0.001 0.000 0.272 107 V C 0.366 176.367 176.094 -0.154 0.000 1.027 107 V CA -0.686 61.544 62.300 -0.117 0.000 0.823 107 V CB 0.220 32.002 31.823 -0.068 0.000 1.030 107 V HN 0.567 nan 8.190 nan 0.000 0.457 108 M N 3.558 123.054 119.600 -0.174 0.000 2.249 108 M HA -0.222 4.259 4.480 0.001 0.000 0.198 108 M C 1.279 177.436 176.300 -0.238 0.000 0.394 108 M CA 1.005 56.201 55.300 -0.173 0.000 0.427 108 M CB -1.338 31.187 32.600 -0.126 0.000 1.307 108 M HN 1.123 nan 8.290 nan 0.000 0.924 109 G N -0.663 107.860 108.800 -0.461 0.000 2.269 109 G HA2 -0.102 3.858 3.960 0.001 0.000 0.277 109 G HA3 -0.102 3.858 3.960 0.001 0.000 0.277 109 G C 0.992 175.659 174.900 -0.389 0.000 1.008 109 G CA 1.023 45.632 45.100 -0.818 0.000 0.774 109 G HN 1.966 nan 8.290 nan 0.000 0.511 110 G N -1.324 107.363 108.800 -0.189 0.000 2.203 110 G HA2 0.021 3.982 3.960 0.001 0.000 0.263 110 G HA3 0.021 3.982 3.960 0.001 0.000 0.263 110 G C 0.848 175.795 174.900 0.078 0.000 1.012 110 G CA 1.335 46.460 45.100 0.043 0.000 0.749 110 G HN 2.411 nan 8.290 nan 0.000 0.512 111 S N -0.644 115.066 115.700 0.017 0.000 2.558 111 S HA 0.472 4.942 4.470 0.001 0.000 0.287 111 S C 0.899 175.518 174.600 0.032 0.000 1.321 111 S CA 0.330 58.558 58.200 0.047 0.000 1.048 111 S CB 1.709 64.913 63.200 0.006 0.000 0.844 111 S HN 1.909 nan 8.310 nan 0.000 0.512 112 A N 3.301 126.137 122.820 0.027 0.000 2.906 112 A HA 0.527 4.847 4.320 0.001 0.000 0.289 112 A C 1.003 178.488 177.584 -0.165 0.000 1.675 112 A CA -0.214 51.757 52.037 -0.110 0.000 1.372 112 A CB -1.279 17.479 19.000 -0.403 0.000 1.091 112 A HN 1.195 nan 8.150 nan 0.000 0.579 113 G N 0.438 109.187 108.800 -0.085 0.000 2.527 113 G HA2 0.269 4.230 3.960 0.001 0.000 0.248 113 G HA3 0.269 4.230 3.960 0.001 0.000 0.248 113 G C 0.730 175.581 174.900 -0.081 0.000 1.231 113 G CA 0.166 45.225 45.100 -0.069 0.000 0.838 113 G HN 0.796 nan 8.290 nan 0.000 0.570 114 E N 0.549 120.717 120.200 -0.053 0.000 2.049 114 E HA -0.195 4.156 4.350 0.001 0.000 0.198 114 E C 2.282 178.865 176.600 -0.028 0.000 1.007 114 E CA 1.915 58.285 56.400 -0.049 0.000 0.809 114 E CB -0.128 29.566 29.700 -0.011 0.000 0.749 114 E HN 0.502 nan 8.360 nan 0.000 0.450 115 T N 0.776 115.336 114.554 0.010 0.000 2.788 115 T HA -0.202 4.149 4.350 0.001 0.000 0.268 115 T C 1.804 176.508 174.700 0.007 0.000 1.044 115 T CA 1.414 63.527 62.100 0.021 0.000 1.139 115 T CB -0.227 68.679 68.868 0.063 0.000 0.867 115 T HN 0.294 nan 8.240 nan 0.000 0.454 116 Q N 0.680 120.481 119.800 0.002 0.000 2.061 116 Q HA -0.141 4.200 4.340 0.001 0.000 0.204 116 Q C 2.417 178.411 176.000 -0.011 0.000 0.984 116 Q CA 1.734 57.538 55.803 0.002 0.000 0.846 116 Q CB -0.202 28.538 28.738 0.004 0.000 0.902 116 Q HN 0.398 nan 8.270 nan 0.000 0.421 117 S N -0.218 115.459 115.700 -0.038 0.000 2.399 117 S HA -0.107 4.363 4.470 0.001 0.000 0.231 117 S C 1.877 176.457 174.600 -0.033 0.000 1.022 117 S CA 1.478 59.653 58.200 -0.041 0.000 0.983 117 S CB -0.257 62.875 63.200 -0.112 0.000 0.803 117 S HN 0.479 nan 8.310 nan 0.000 0.480 118 T N 2.030 116.566 114.554 -0.031 0.000 2.821 118 T HA -0.020 4.331 4.350 0.001 0.000 0.267 118 T C 1.769 176.454 174.700 -0.026 0.000 1.046 118 T CA 1.006 63.091 62.100 -0.025 0.000 1.139 118 T CB -0.110 68.749 68.868 -0.016 0.000 0.871 118 T HN 0.389 nan 8.240 nan 0.000 0.454 119 K N 0.518 120.906 120.400 -0.020 0.000 2.057 119 K HA -0.030 4.291 4.320 0.001 0.000 0.207 119 K C 2.302 178.874 176.600 -0.047 0.000 1.049 119 K CA 0.899 57.175 56.287 -0.018 0.000 0.931 119 K CB -0.354 32.144 32.500 -0.002 0.000 0.714 119 K HN 0.135 nan 8.250 nan 0.000 0.440 120 V N 0.964 120.833 119.914 -0.074 0.000 2.295 120 V HA -0.221 3.900 4.120 0.001 0.000 0.246 120 V C 2.255 178.249 176.094 -0.166 0.000 1.049 120 V CA 1.486 63.700 62.300 -0.144 0.000 1.024 120 V CB -0.288 31.436 31.823 -0.165 0.000 0.648 120 V HN 0.085 nan 8.190 nan 0.000 0.447 121 V N -0.260 119.593 119.914 -0.101 0.000 2.332 121 V HA -0.298 3.822 4.120 0.001 0.000 0.248 121 V C 2.410 178.431 176.094 -0.121 0.000 1.055 121 V CA 2.193 64.432 62.300 -0.101 0.000 1.038 121 V CB -0.627 31.177 31.823 -0.031 0.000 0.651 121 V HN 0.594 nan 8.190 nan 0.000 0.450 122 E N -0.306 119.843 120.200 -0.085 0.000 2.077 122 E HA -0.180 4.170 4.350 0.001 0.000 0.193 122 E C 2.310 178.851 176.600 -0.099 0.000 0.989 122 E CA 1.794 58.152 56.400 -0.070 0.000 0.800 122 E CB -0.215 29.464 29.700 -0.034 0.000 0.746 122 E HN 0.584 nan 8.360 nan 0.000 0.452 123 T N 0.599 115.093 114.554 -0.100 0.000 2.821 123 T HA -0.135 4.215 4.350 0.001 0.000 0.267 123 T C 1.815 176.353 174.700 -0.270 0.000 1.046 123 T CA 1.109 63.167 62.100 -0.070 0.000 1.139 123 T CB -0.096 68.811 68.868 0.066 0.000 0.871 123 T HN 0.139 nan 8.240 nan 0.000 0.454 124 M N 0.740 120.051 119.600 -0.482 0.000 2.132 124 M HA -0.052 4.429 4.480 0.001 0.000 0.263 124 M C 2.403 178.495 176.300 -0.347 0.000 1.065 124 M CA 1.259 56.159 55.300 -0.668 0.000 1.122 124 M CB -0.281 31.894 32.600 -0.709 0.000 1.365 124 M HN 0.073 nan 8.290 nan 0.000 0.411 125 E N 0.286 120.347 120.200 -0.232 0.000 2.153 125 E HA -0.174 4.176 4.350 0.001 0.000 0.194 125 E C 2.113 178.608 176.600 -0.176 0.000 0.988 125 E CA 1.015 57.327 56.400 -0.148 0.000 0.811 125 E CB -0.233 29.415 29.700 -0.086 0.000 0.746 125 E HN 0.530 nan 8.360 nan 0.000 0.466 126 Q N 0.185 119.834 119.800 -0.251 0.000 2.083 126 Q HA -0.003 4.337 4.340 0.001 0.000 0.198 126 Q C 2.147 177.809 176.000 -0.564 0.000 0.969 126 Q CA 1.247 56.849 55.803 -0.335 0.000 0.838 126 Q CB -0.584 27.962 28.738 -0.319 0.000 0.900 126 Q HN 0.252 nan 8.270 nan 0.000 0.436 127 A N 0.948 123.355 122.820 -0.688 0.000 1.877 127 A HA -0.166 4.155 4.320 0.001 0.000 0.216 127 A C 2.149 179.654 177.584 -0.131 0.000 1.186 127 A CA 1.483 53.278 52.037 -0.403 0.000 0.620 127 A CB -0.737 18.199 19.000 -0.107 0.000 0.822 127 A HN 0.334 nan 8.150 nan 0.000 0.443 128 L N -0.744 120.406 121.223 -0.123 0.000 2.017 128 L HA -0.121 4.219 4.340 0.001 0.000 0.208 128 L C 2.278 179.128 176.870 -0.032 0.000 1.073 128 L CA 2.185 56.998 54.840 -0.046 0.000 0.745 128 L CB -0.641 41.387 42.059 -0.051 0.000 0.894 128 L HN 0.349 nan 8.230 nan 0.000 0.432 129 L N -0.527 120.661 121.223 -0.059 0.000 2.079 129 L HA -0.172 4.169 4.340 0.001 0.000 0.210 129 L C 2.268 179.135 176.870 -0.004 0.000 1.081 129 L CA 2.418 57.240 54.840 -0.030 0.000 0.752 129 L CB -0.838 41.197 42.059 -0.040 0.000 0.896 129 L HN 0.644 nan 8.230 nan 0.000 0.433 130 T N -3.937 110.615 114.554 -0.003 0.000 3.086 130 T HA 0.335 4.685 4.350 0.001 0.000 0.250 130 T C 1.229 175.974 174.700 0.075 0.000 1.074 130 T CA 0.155 62.287 62.100 0.054 0.000 0.988 130 T CB -0.328 68.613 68.868 0.122 0.000 0.988 130 T HN 0.590 nan 8.240 nan 0.000 0.530 131 G N 2.213 111.050 108.800 0.061 0.000 2.314 131 G HA2 -0.185 3.775 3.960 0.001 0.000 0.292 131 G HA3 -0.185 3.775 3.960 0.001 0.000 0.292 131 G C 0.078 175.050 174.900 0.121 0.000 1.059 131 G CA 0.392 45.544 45.100 0.087 0.000 0.982 131 G HN 1.215 nan 8.290 nan 0.000 0.505 132 T N -2.547 112.097 114.554 0.151 0.000 2.924 132 T HA 0.779 5.129 4.350 0.001 0.000 0.291 132 T C -2.665 172.162 174.700 0.212 0.000 1.045 132 T CA -2.127 60.091 62.100 0.197 0.000 1.015 132 T CB 3.421 72.473 68.868 0.306 0.000 1.103 132 T HN -0.005 nan 8.240 nan 0.000 0.496 133 P HA 0.332 nan 4.420 nan 0.000 0.270 133 P C -1.352 176.115 177.300 0.279 0.000 1.223 133 P CA -0.396 62.806 63.100 0.169 0.000 0.785 133 P CB 0.225 31.972 31.700 0.079 0.000 0.923 134 F N 2.339 122.353 119.950 0.106 0.000 2.507 134 F HA 0.541 5.068 4.527 0.001 0.000 0.328 134 F C -1.627 174.238 175.800 0.107 0.000 1.136 134 F CA -0.850 57.222 58.000 0.121 0.000 0.930 134 F CB 0.803 39.872 39.000 0.114 0.000 1.166 134 F HN -0.003 nan 8.300 nan 0.000 0.436 135 L N 7.096 127.973 121.223 -0.577 0.000 2.346 135 L HA 0.524 4.865 4.340 0.001 0.000 0.274 135 L C -1.259 175.169 176.870 -0.738 0.000 1.007 135 L CA -0.554 53.973 54.840 -0.522 0.000 0.818 135 L CB 1.985 43.858 42.059 -0.310 0.000 1.284 135 L HN 0.667 nan 8.230 nan 0.000 0.424 136 F N 2.452 121.985 119.950 -0.694 0.000 2.562 136 F HA 0.504 5.032 4.527 0.001 0.000 0.319 136 F C -1.199 174.393 175.800 -0.347 0.000 1.154 136 F CA -0.803 56.866 58.000 -0.552 0.000 0.931 136 F CB 1.260 39.931 39.000 -0.547 0.000 1.198 136 F HN 0.238 nan 8.300 nan 0.000 0.444 137 F N 5.893 125.971 119.950 0.213 0.000 2.404 137 F HA 0.312 4.840 4.527 0.001 0.000 0.358 137 F C -0.645 175.099 175.800 -0.094 0.000 1.120 137 F CA -0.396 57.640 58.000 0.060 0.000 1.144 137 F CB 0.507 39.532 39.000 0.041 0.000 1.133 137 F HN 0.306 nan 8.300 nan 0.000 0.495 138 Y N 1.950 122.181 120.300 -0.115 0.000 2.323 138 Y HA 0.399 4.949 4.550 0.001 0.000 0.331 138 Y C 0.038 175.920 175.900 -0.031 0.000 1.092 138 Y CA -0.550 57.414 58.100 -0.226 0.000 1.150 138 Y CB 1.220 39.465 38.460 -0.360 0.000 1.200 138 Y HN 0.413 nan 8.280 nan 0.000 0.472 139 D N 1.730 122.234 120.400 0.173 0.000 2.668 139 D HA 0.118 4.759 4.640 0.001 0.000 0.234 139 D C -1.527 174.933 176.300 0.267 0.000 1.349 139 D CA -0.078 54.007 54.000 0.140 0.000 0.889 139 D CB 0.603 41.480 40.800 0.128 0.000 1.520 139 D HN 0.368 nan 8.370 nan 0.000 0.521 140 S N 0.486 116.337 115.700 0.252 0.000 2.548 140 S HA 0.622 5.092 4.470 0.001 0.000 0.276 140 S C 1.078 175.861 174.600 0.304 0.000 1.129 140 S CA -0.059 58.335 58.200 0.324 0.000 0.931 140 S CB 1.400 64.755 63.200 0.258 0.000 1.068 140 S HN 0.272 nan 8.310 nan 0.000 0.480 141 G N 1.832 110.850 108.800 0.363 0.000 2.776 141 G HA2 0.465 4.425 3.960 0.001 0.000 0.209 141 G HA3 0.465 4.425 3.960 0.001 0.000 0.209 141 G C 0.930 175.946 174.900 0.194 0.000 1.145 141 G CA 0.487 45.764 45.100 0.296 0.000 0.791 141 G HN 1.582 nan 8.290 nan 0.000 0.530 142 G N -1.187 107.735 108.800 0.204 0.000 2.306 142 G HA2 0.440 4.400 3.960 0.001 0.000 0.262 142 G HA3 0.440 4.400 3.960 0.001 0.000 0.262 142 G C -0.022 175.048 174.900 0.283 0.000 1.263 142 G CA -0.255 44.982 45.100 0.229 0.000 1.088 142 G HN 1.175 nan 8.290 nan 0.000 0.489 143 A N -0.131 122.889 122.820 0.333 0.000 2.445 143 A HA 0.614 4.935 4.320 0.001 0.000 0.242 143 A C 0.920 178.587 177.584 0.138 0.000 1.075 143 A CA 0.834 53.064 52.037 0.322 0.000 0.777 143 A CB 0.206 19.444 19.000 0.396 0.000 1.013 143 A HN 1.017 nan 8.150 nan 0.000 0.493 144 R N 3.060 123.595 120.500 0.058 0.000 2.419 144 R HA 0.172 4.512 4.340 0.001 0.000 0.305 144 R C 0.517 176.838 176.300 0.034 0.000 1.242 144 R CA -0.592 55.523 56.100 0.023 0.000 1.105 144 R CB -0.246 30.045 30.300 -0.014 0.000 1.116 144 R HN 0.739 nan 8.270 nan 0.000 0.523 145 I N 2.833 123.422 120.570 0.032 0.000 2.248 145 I HA -0.317 3.853 4.170 0.001 0.000 0.248 145 I C 1.636 177.746 176.117 -0.012 0.000 1.107 145 I CA 1.434 62.739 61.300 0.008 0.000 1.373 145 I CB -0.818 37.167 38.000 -0.024 0.000 1.055 145 I HN 0.608 nan 8.210 nan 0.000 0.418 146 Q N 0.769 120.574 119.800 0.008 0.000 2.234 146 Q HA -0.171 4.169 4.340 0.001 0.000 0.206 146 Q C 1.761 177.879 176.000 0.195 0.000 0.980 146 Q CA 1.171 57.029 55.803 0.091 0.000 0.869 146 Q CB -0.235 28.575 28.738 0.120 0.000 0.912 146 Q HN 0.591 nan 8.270 nan 0.000 0.436 147 E N -0.549 119.719 120.200 0.113 0.000 2.479 147 E HA 0.158 4.509 4.350 0.001 0.000 0.193 147 E C 1.021 177.684 176.600 0.105 0.000 1.049 147 E CA 0.100 56.567 56.400 0.111 0.000 0.870 147 E CB 0.201 29.938 29.700 0.061 0.000 0.944 147 E HN 0.374 nan 8.360 nan 0.000 0.492 148 G N 2.814 111.675 108.800 0.102 0.000 2.685 148 G HA2 -0.428 3.533 3.960 0.001 0.000 0.329 148 G HA3 -0.428 3.533 3.960 0.001 0.000 0.329 148 G C 1.092 176.041 174.900 0.081 0.000 1.271 148 G CA 0.779 45.934 45.100 0.092 0.000 1.003 148 G HN 0.440 nan 8.290 nan 0.000 0.549 149 I N -1.342 119.275 120.570 0.078 0.000 2.756 149 I HA 0.047 4.217 4.170 0.001 0.000 0.262 149 I C 1.743 177.890 176.117 0.051 0.000 1.225 149 I CA 2.262 63.603 61.300 0.068 0.000 1.472 149 I CB -0.426 37.611 38.000 0.060 0.000 1.094 149 I HN 0.270 nan 8.210 nan 0.000 0.454 150 D N 1.217 121.642 120.400 0.043 0.000 2.144 150 D HA -0.164 4.477 4.640 0.001 0.000 0.200 150 D C 2.322 178.616 176.300 -0.010 0.000 0.978 150 D CA 1.616 55.628 54.000 0.020 0.000 0.833 150 D CB 0.051 40.867 40.800 0.027 0.000 0.961 150 D HN 0.427 nan 8.370 nan 0.000 0.470 151 S N 0.214 115.910 115.700 -0.007 0.000 2.368 151 S HA -0.114 4.357 4.470 0.001 0.000 0.224 151 S C 1.893 176.444 174.600 -0.082 0.000 1.029 151 S CA 0.355 58.507 58.200 -0.080 0.000 0.988 151 S CB -0.209 62.971 63.200 -0.033 0.000 0.838 151 S HN 0.098 nan 8.310 nan 0.000 0.462 152 L N 1.624 122.893 121.223 0.076 0.000 2.046 152 L HA 0.014 4.354 4.340 0.001 0.000 0.208 152 L C 2.530 179.467 176.870 0.112 0.000 1.077 152 L CA 2.374 57.331 54.840 0.194 0.000 0.747 152 L CB -1.328 40.828 42.059 0.162 0.000 0.896 152 L HN 0.377 nan 8.230 nan 0.000 0.432 153 S N -0.696 115.027 115.700 0.038 0.000 2.382 153 S HA -0.131 4.340 4.470 0.001 0.000 0.228 153 S C 2.050 176.627 174.600 -0.038 0.000 1.027 153 S CA 1.195 59.399 58.200 0.007 0.000 0.991 153 S CB -0.820 62.379 63.200 -0.002 0.000 0.823 153 S HN 0.675 nan 8.310 nan 0.000 0.469 154 G N -0.507 108.237 108.800 -0.093 0.000 2.440 154 G HA2 -0.197 3.763 3.960 0.001 0.000 0.218 154 G HA3 -0.197 3.763 3.960 0.001 0.000 0.218 154 G C 1.190 175.983 174.900 -0.178 0.000 1.154 154 G CA 0.978 45.989 45.100 -0.149 0.000 0.767 154 G HN 0.643 nan 8.290 nan 0.000 0.552 155 Y N 0.928 121.104 120.300 -0.207 0.000 2.165 155 Y HA -0.093 4.457 4.550 0.001 0.000 0.286 155 Y C 3.149 178.539 175.900 -0.850 0.000 1.155 155 Y CA 0.562 58.331 58.100 -0.551 0.000 1.164 155 Y CB -0.324 37.848 38.460 -0.479 0.000 0.978 155 Y HN 0.254 nan 8.280 nan 0.000 0.513 156 G N 0.182 108.854 108.800 -0.213 0.000 2.446 156 G HA2 -0.276 3.684 3.960 0.001 0.000 0.217 156 G HA3 -0.276 3.684 3.960 0.001 0.000 0.217 156 G C 1.548 176.464 174.900 0.027 0.000 1.168 156 G CA 1.153 46.224 45.100 -0.048 0.000 0.771 156 G HN 0.317 nan 8.290 nan 0.000 0.551 157 K N -0.563 119.834 120.400 -0.005 0.000 2.097 157 K HA 0.038 4.359 4.320 0.001 0.000 0.206 157 K C 2.473 179.146 176.600 0.122 0.000 1.049 157 K CA 1.235 57.556 56.287 0.057 0.000 0.933 157 K CB -0.223 32.278 32.500 0.002 0.000 0.717 157 K HN 0.351 nan 8.250 nan 0.000 0.442 158 M N 0.172 119.793 119.600 0.035 0.000 2.099 158 M HA -0.148 4.333 4.480 0.001 0.000 0.262 158 M C 1.434 177.907 176.300 0.288 0.000 1.067 158 M CA 1.625 57.001 55.300 0.126 0.000 1.124 158 M CB 0.008 32.689 32.600 0.134 0.000 1.353 158 M HN -0.019 nan 8.290 nan 0.000 0.410 159 F N -0.084 120.023 119.950 0.263 0.000 2.126 159 F HA -0.196 4.332 4.527 0.001 0.000 0.299 159 F C 2.220 178.129 175.800 0.181 0.000 1.096 159 F CA 1.173 59.302 58.000 0.214 0.000 1.255 159 F CB -1.678 37.434 39.000 0.187 0.000 0.997 159 F HN 0.190 nan 8.300 nan 0.000 0.479 160 F N 0.706 120.809 119.950 0.255 0.000 2.171 160 F HA -0.124 4.404 4.527 0.001 0.000 0.300 160 F C 2.323 178.188 175.800 0.109 0.000 1.090 160 F CA 1.386 59.474 58.000 0.147 0.000 1.293 160 F CB -0.417 38.640 39.000 0.096 0.000 1.013 160 F HN -0.069 nan 8.300 nan 0.000 0.486 161 A N 0.219 123.179 122.820 0.233 0.000 1.898 161 A HA -0.208 4.112 4.320 0.001 0.000 0.216 161 A C 1.919 179.526 177.584 0.038 0.000 1.181 161 A CA 1.969 54.064 52.037 0.096 0.000 0.620 161 A CB -1.134 17.917 19.000 0.084 0.000 0.819 161 A HN 0.564 nan 8.150 nan 0.000 0.442 162 N N -0.268 118.512 118.700 0.132 0.000 2.149 162 N HA -0.126 4.615 4.740 0.001 0.000 0.188 162 N C 1.434 176.981 175.510 0.062 0.000 1.019 162 N CA 1.535 54.676 53.050 0.152 0.000 0.857 162 N CB -0.190 38.449 38.487 0.253 0.000 0.997 162 N HN 0.274 nan 8.380 nan 0.000 0.426 163 V N 0.934 120.838 119.914 -0.017 0.000 2.453 163 V HA -0.158 3.963 4.120 0.001 0.000 0.247 163 V C 2.190 178.190 176.094 -0.157 0.000 1.048 163 V CA 1.266 63.507 62.300 -0.099 0.000 1.049 163 V CB -0.394 31.328 31.823 -0.169 0.000 0.672 163 V HN 0.297 nan 8.190 nan 0.000 0.457 164 K N -0.089 120.172 120.400 -0.233 0.000 2.057 164 K HA -0.159 4.161 4.320 0.001 0.000 0.207 164 K C 1.948 178.502 176.600 -0.077 0.000 1.049 164 K CA 1.421 57.585 56.287 -0.205 0.000 0.931 164 K CB -0.093 32.284 32.500 -0.205 0.000 0.714 164 K HN 0.297 nan 8.250 nan 0.000 0.440 165 L N 1.011 122.218 121.223 -0.027 0.000 2.395 165 L HA 0.060 4.401 4.340 0.001 0.000 0.218 165 L C 0.950 177.876 176.870 0.093 0.000 1.130 165 L CA 0.695 55.558 54.840 0.038 0.000 0.826 165 L CB -0.284 41.809 42.059 0.057 0.000 0.941 165 L HN -0.011 nan 8.230 nan 0.000 0.451 166 S N -0.067 115.670 115.700 0.062 0.000 2.546 166 S HA 0.303 4.773 4.470 0.001 0.000 0.290 166 S C 1.394 176.023 174.600 0.049 0.000 1.262 166 S CA 0.591 58.844 58.200 0.089 0.000 1.083 166 S CB -0.170 63.048 63.200 0.029 0.000 0.859 166 S HN 0.697 nan 8.310 nan 0.000 0.495 167 G N 2.912 111.779 108.800 0.112 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 0.571 175.284 174.900 -0.311 0.000 0.975 167 G CA 0.413 45.380 45.100 -0.222 0.000 0.642 167 G HN 0.784 nan 8.290 nan 0.000 0.536 168 V N -0.522 119.423 119.914 0.052 0.000 2.743 168 V HA 0.406 4.526 4.120 0.001 0.000 0.237 168 V C 1.306 177.606 176.094 0.342 0.000 1.113 168 V CA 1.417 63.763 62.300 0.077 0.000 1.141 168 V CB 0.771 32.628 31.823 0.057 0.000 0.873 168 V HN 1.096 nan 8.190 nan 0.000 0.486 169 V N -2.154 118.005 119.914 0.409 0.000 2.735 169 V HA 0.679 4.799 4.120 0.001 0.000 0.310 169 V C -3.117 173.151 176.094 0.290 0.000 1.061 169 V CA -2.890 59.625 62.300 0.359 0.000 0.913 169 V CB 1.510 33.460 31.823 0.213 0.000 1.005 169 V HN 0.134 nan 8.190 nan 0.000 0.428 170 P HA 0.289 nan 4.420 nan 0.000 0.268 170 P C -0.968 176.417 177.300 0.143 0.000 1.204 170 P CA 0.253 63.275 63.100 -0.130 0.000 0.768 170 P CB 0.246 31.802 31.700 -0.239 0.000 0.842 171 Q N 2.309 122.239 119.800 0.217 0.000 2.325 171 Q HA 0.545 4.885 4.340 0.001 0.000 0.270 171 Q C -0.665 175.452 176.000 0.195 0.000 1.020 171 Q CA -0.409 55.554 55.803 0.266 0.000 0.785 171 Q CB 1.689 30.629 28.738 0.336 0.000 1.259 171 Q HN 0.416 nan 8.270 nan 0.000 0.452 172 I N 1.855 122.494 120.570 0.115 0.000 2.406 172 I HA 0.575 4.745 4.170 0.001 0.000 0.290 172 I C -0.463 175.670 176.117 0.027 0.000 0.999 172 I CA -0.735 60.605 61.300 0.067 0.000 1.124 172 I CB 1.760 39.738 38.000 -0.036 0.000 1.289 172 I HN 0.561 nan 8.210 nan 0.000 0.441 173 A N 7.543 130.409 122.820 0.076 0.000 2.304 173 A HA 0.845 5.165 4.320 0.001 0.000 0.323 173 A C -0.695 176.881 177.584 -0.013 0.000 1.195 173 A CA -0.392 51.712 52.037 0.112 0.000 0.826 173 A CB 0.548 19.575 19.000 0.045 0.000 1.184 173 A HN 0.650 nan 8.150 nan 0.000 0.496 174 I N 3.867 124.403 120.570 -0.057 0.000 2.420 174 I HA 0.239 4.410 4.170 0.001 0.000 0.282 174 I C -0.652 175.489 176.117 0.039 0.000 1.019 174 I CA -0.194 61.041 61.300 -0.109 0.000 1.130 174 I CB 1.462 39.221 38.000 -0.402 0.000 1.262 174 I HN 0.414 nan 8.210 nan 0.000 0.454 175 I N 5.753 126.317 120.570 -0.009 0.000 2.308 175 I HA 0.293 4.463 4.170 0.001 0.000 0.293 175 I C 1.029 177.153 176.117 0.012 0.000 1.078 175 I CA 0.144 61.427 61.300 -0.027 0.000 1.292 175 I CB 0.690 38.599 38.000 -0.151 0.000 1.423 175 I HN 0.673 nan 8.210 nan 0.000 0.493 176 A N 4.776 127.638 122.820 0.070 0.000 2.631 176 A HA 0.730 5.050 4.320 0.001 0.000 0.294 176 A C 0.720 178.292 177.584 -0.020 0.000 1.156 176 A CA 0.180 52.251 52.037 0.056 0.000 0.963 176 A CB 0.168 19.262 19.000 0.156 0.000 1.202 176 A HN 0.844 nan 8.150 nan 0.000 0.523 177 G N -0.657 108.106 108.800 -0.062 0.000 2.364 177 G HA2 0.479 4.439 3.960 0.001 0.000 0.286 177 G HA3 0.479 4.439 3.960 0.001 0.000 0.286 177 G C -3.580 171.244 174.900 -0.126 0.000 1.241 177 G CA -0.627 44.386 45.100 -0.146 0.000 0.887 177 G HN -0.053 nan 8.290 nan 0.000 0.484 178 P HA 0.433 nan 4.420 nan 0.000 0.272 178 P C -0.481 176.776 177.300 -0.071 0.000 1.223 178 P CA -0.127 62.917 63.100 -0.093 0.000 0.784 178 P CB 1.366 33.043 31.700 -0.038 0.000 0.923 179 C N 3.143 122.346 119.300 -0.162 0.000 3.430 179 C HA 0.698 5.159 4.460 0.001 0.000 0.268 179 C C -0.318 174.515 174.990 -0.262 0.000 1.101 179 C CA -0.133 58.796 59.018 -0.148 0.000 1.286 179 C CB -1.345 26.263 27.740 -0.220 0.000 1.795 179 C HN 0.641 nan 8.230 nan 0.000 0.569 180 A N 3.056 125.777 122.820 -0.165 0.000 2.306 180 A HA 0.914 5.235 4.320 0.001 0.000 0.314 180 A C 0.849 178.411 177.584 -0.036 0.000 1.164 180 A CA 0.890 52.828 52.037 -0.166 0.000 0.822 180 A CB 0.485 19.486 19.000 0.002 0.000 1.130 180 A HN 2.569 nan 8.150 nan 0.000 0.496 181 G N 1.008 109.811 108.800 0.005 0.000 2.593 181 G HA2 0.134 4.094 3.960 0.001 0.000 0.237 181 G HA3 0.134 4.094 3.960 0.001 0.000 0.237 181 G C 1.117 175.927 174.900 -0.151 0.000 1.312 181 G CA 0.266 45.361 45.100 -0.008 0.000 0.896 181 G HN 1.965 nan 8.290 nan 0.000 0.574 182 G N -0.052 108.676 108.800 -0.120 0.000 2.516 182 G HA2 0.226 4.187 3.960 0.001 0.000 0.221 182 G HA3 0.226 4.187 3.960 0.001 0.000 0.221 182 G C 2.045 176.881 174.900 -0.106 0.000 1.107 182 G CA 2.633 47.689 45.100 -0.074 0.000 0.747 182 G HN 2.008 nan 8.290 nan 0.000 0.567 183 A N 0.932 123.595 122.820 -0.261 0.000 1.978 183 A HA -0.033 4.287 4.320 0.001 0.000 0.220 183 A C 2.650 180.232 177.584 -0.004 0.000 1.170 183 A CA 2.112 54.108 52.037 -0.069 0.000 0.636 183 A CB -0.510 18.550 19.000 0.100 0.000 0.810 183 A HN 0.327 nan 8.150 nan 0.000 0.448 184 S N -1.213 114.346 115.700 -0.236 0.000 2.419 184 S HA -0.183 4.287 4.470 0.001 0.000 0.235 184 S C 1.563 175.956 174.600 -0.346 0.000 1.019 184 S CA 1.372 59.350 58.200 -0.370 0.000 0.982 184 S CB -0.640 62.272 63.200 -0.479 0.000 0.789 184 S HN 0.758 nan 8.310 nan 0.000 0.490 185 Y N 1.222 121.403 120.300 -0.198 0.000 2.352 185 Y HA -0.110 4.440 4.550 0.001 0.000 0.292 185 Y C 2.918 178.672 175.900 -0.244 0.000 1.136 185 Y CA 0.773 58.645 58.100 -0.381 0.000 1.227 185 Y CB -0.238 37.706 38.460 -0.860 0.000 0.991 185 Y HN 0.299 nan 8.280 nan 0.000 0.545 186 S N 0.282 116.132 115.700 0.250 0.000 2.345 186 S HA -0.095 4.376 4.470 0.001 0.000 0.220 186 S C -0.605 174.090 174.600 0.157 0.000 1.031 186 S CA 1.240 59.696 58.200 0.426 0.000 0.996 186 S CB -1.063 62.564 63.200 0.713 0.000 0.882 186 S HN 0.156 nan 8.310 nan 0.000 0.445 187 P HA 0.015 nan 4.420 nan 0.000 0.216 187 P C 1.375 178.613 177.300 -0.104 0.000 1.150 187 P CA 1.561 64.486 63.100 -0.290 0.000 0.837 187 P CB -0.221 31.103 31.700 -0.628 0.000 0.786 188 A N -1.027 121.737 122.820 -0.094 0.000 2.070 188 A HA -0.112 4.209 4.320 0.001 0.000 0.220 188 A C 1.966 179.554 177.584 0.006 0.000 1.159 188 A CA 1.250 53.263 52.037 -0.040 0.000 0.656 188 A CB -1.423 17.568 19.000 -0.015 0.000 0.800 188 A HN 0.170 nan 8.150 nan 0.000 0.453 189 L N 0.102 121.347 121.223 0.036 0.000 2.567 189 L HA 0.055 4.395 4.340 0.001 0.000 0.225 189 L C 1.592 178.519 176.870 0.095 0.000 1.119 189 L CA 0.476 55.351 54.840 0.058 0.000 0.871 189 L CB -0.391 41.718 42.059 0.083 0.000 1.036 189 L HN 0.522 nan 8.230 nan 0.000 0.459 190 T N -4.488 110.130 114.554 0.107 0.000 2.771 190 T HA 0.091 4.442 4.350 0.001 0.000 0.290 190 T C 0.786 175.486 174.700 0.000 0.000 1.005 190 T CA -0.525 61.652 62.100 0.129 0.000 0.944 190 T CB 1.096 70.072 68.868 0.179 0.000 1.147 190 T HN -0.052 nan 8.240 nan 0.000 0.534 191 D N -0.576 119.785 120.400 -0.065 0.000 2.216 191 D HA 0.174 4.814 4.640 0.001 0.000 0.208 191 D C -0.166 175.446 176.300 -1.146 0.000 0.960 191 D CA 1.045 54.765 54.000 -0.467 0.000 0.861 191 D CB 0.092 40.687 40.800 -0.342 0.000 0.985 191 D HN 0.479 nan 8.370 nan 0.000 0.493 192 F N 0.088 119.833 119.950 -0.341 0.000 2.569 192 F HA 0.447 4.975 4.527 0.001 0.000 0.312 192 F C -0.242 175.504 175.800 -0.090 0.000 1.109 192 F CA -0.874 56.817 58.000 -0.516 0.000 0.919 192 F CB 2.112 40.962 39.000 -0.250 0.000 1.211 192 F HN -0.367 nan 8.300 nan 0.000 0.446 193 I N 4.447 125.237 120.570 0.366 0.000 2.362 193 I HA 0.420 4.590 4.170 0.001 0.000 0.289 193 I C -0.768 175.524 176.117 0.292 0.000 0.994 193 I CA -0.490 60.949 61.300 0.232 0.000 1.158 193 I CB 1.516 39.580 38.000 0.108 0.000 1.315 193 I HN 0.462 nan 8.210 nan 0.000 0.451 194 I N 6.965 127.641 120.570 0.177 0.000 2.339 194 I HA 0.391 4.561 4.170 0.001 0.000 0.290 194 I C -0.227 175.927 176.117 0.062 0.000 0.994 194 I CA -0.217 61.188 61.300 0.175 0.000 1.191 194 I CB 1.482 39.506 38.000 0.041 0.000 1.343 194 I HN 0.533 nan 8.210 nan 0.000 0.458 195 M N 6.690 126.325 119.600 0.058 0.000 2.311 195 M HA 0.387 4.867 4.480 0.001 0.000 0.325 195 M C 0.029 176.327 176.300 -0.003 0.000 1.061 195 M CA -0.475 54.820 55.300 -0.009 0.000 0.957 195 M CB 1.720 34.290 32.600 -0.050 0.000 1.646 195 M HN 0.699 nan 8.290 nan 0.000 0.434 196 T N 0.951 115.493 114.554 -0.021 0.000 2.849 196 T HA 0.355 4.705 4.350 0.001 0.000 0.284 196 T C 0.631 175.293 174.700 -0.063 0.000 1.004 196 T CA -0.610 61.477 62.100 -0.021 0.000 1.021 196 T CB 0.973 69.835 68.868 -0.010 0.000 1.013 196 T HN 0.801 nan 8.240 nan 0.000 0.527 197 K N 0.200 120.570 120.400 -0.051 0.000 2.555 197 K HA 0.038 4.358 4.320 0.001 0.000 0.193 197 K C 1.569 178.103 176.600 -0.110 0.000 1.032 197 K CA 0.317 56.560 56.287 -0.073 0.000 1.004 197 K CB 0.102 32.582 32.500 -0.033 0.000 0.804 197 K HN 0.386 nan 8.250 nan 0.000 0.496 198 K N 0.090 120.432 120.400 -0.098 0.000 2.379 198 K HA 0.143 4.464 4.320 0.001 0.000 0.194 198 K C 0.726 177.231 176.600 -0.159 0.000 1.031 198 K CA 0.118 56.354 56.287 -0.085 0.000 1.037 198 K CB 0.434 32.906 32.500 -0.047 0.000 0.824 198 K HN 0.042 nan 8.250 nan 0.000 0.516 199 A N 1.124 123.806 122.820 -0.229 0.000 2.286 199 A HA 0.515 4.836 4.320 0.001 0.000 0.286 199 A C -0.941 176.325 177.584 -0.529 0.000 1.097 199 A CA -0.204 51.683 52.037 -0.251 0.000 0.821 199 A CB 0.216 19.119 19.000 -0.162 0.000 1.076 199 A HN 0.325 nan 8.150 nan 0.000 0.490 200 H N -0.874 118.131 119.070 -0.108 0.000 2.894 200 H HA 0.662 5.218 4.556 0.001 0.000 0.367 200 H C -0.662 174.466 175.328 -0.334 0.000 1.144 200 H CA -0.339 55.638 56.048 -0.117 0.000 1.180 200 H CB 1.873 31.605 29.762 -0.050 0.000 1.758 200 H HN 0.778 nan 8.280 nan 0.000 0.541 201 M N 3.733 123.202 119.600 -0.219 0.000 2.421 201 M HA 0.586 5.066 4.480 0.001 0.000 0.287 201 M C -2.063 174.092 176.300 -0.241 0.000 1.183 201 M CA -0.676 54.355 55.300 -0.447 0.000 0.916 201 M CB 1.870 34.208 32.600 -0.437 0.000 1.701 201 M HN 0.614 nan 8.290 nan 0.000 0.470 202 F N 2.585 122.558 119.950 0.038 0.000 2.765 202 F HA 0.396 4.924 4.527 0.001 0.000 0.313 202 F C -0.928 174.828 175.800 -0.074 0.000 1.136 202 F CA -1.180 56.833 58.000 0.022 0.000 0.952 202 F CB -0.148 38.875 39.000 0.039 0.000 1.268 202 F HN 0.377 nan 8.300 nan 0.000 0.441 203 I N 0.401 121.072 120.570 0.168 0.000 2.277 203 I HA 0.023 4.193 4.170 0.001 0.000 0.243 203 I C 0.733 176.934 176.117 0.141 0.000 1.094 203 I CA 1.269 62.592 61.300 0.037 0.000 1.393 203 I CB -0.757 37.225 38.000 -0.031 0.000 1.078 203 I HN 0.661 nan 8.210 nan 0.000 0.417 204 T N 1.791 116.417 114.554 0.120 0.000 2.791 204 T HA 0.557 4.908 4.350 0.001 0.000 0.288 204 T C 0.422 175.019 174.700 -0.170 0.000 0.999 204 T CA -0.536 61.578 62.100 0.023 0.000 0.952 204 T CB 1.706 70.567 68.868 -0.011 0.000 0.938 204 T HN 0.319 nan 8.240 nan 0.000 0.444 205 G N 3.330 111.973 108.800 -0.261 0.000 2.699 205 G HA2 0.275 4.236 3.960 0.001 0.000 0.246 205 G HA3 0.275 4.236 3.960 0.001 0.000 0.246 205 G C -1.541 173.049 174.900 -0.518 0.000 1.219 205 G CA -1.218 43.430 45.100 -0.753 0.000 0.866 205 G HN 0.383 nan 8.290 nan 0.000 0.572 206 P HA -0.156 nan 4.420 nan 0.000 0.216 206 P C 2.033 179.225 177.300 -0.180 0.000 1.150 206 P CA 1.558 64.479 63.100 -0.299 0.000 0.837 206 P CB 0.161 31.707 31.700 -0.256 0.000 0.786 207 Q N -0.166 119.542 119.800 -0.153 0.000 2.046 207 Q HA -0.089 4.252 4.340 0.001 0.000 0.200 207 Q C 1.946 177.901 176.000 -0.075 0.000 0.975 207 Q CA 1.850 57.599 55.803 -0.090 0.000 0.836 207 Q CB -1.794 26.907 28.738 -0.061 0.000 0.896 207 Q HN 0.136 nan 8.270 nan 0.000 0.428 208 V N 1.480 121.345 119.914 -0.081 0.000 2.453 208 V HA -0.173 3.948 4.120 0.001 0.000 0.247 208 V C 2.629 178.686 176.094 -0.061 0.000 1.048 208 V CA 1.257 63.524 62.300 -0.056 0.000 1.049 208 V CB -0.520 31.277 31.823 -0.042 0.000 0.672 208 V HN 0.221 nan 8.190 nan 0.000 0.457 209 I N -0.111 120.406 120.570 -0.089 0.000 2.163 209 I HA -0.236 3.935 4.170 0.001 0.000 0.243 209 I C 2.729 178.809 176.117 -0.062 0.000 1.085 209 I CA 1.529 62.782 61.300 -0.079 0.000 1.347 209 I CB -0.420 37.515 38.000 -0.109 0.000 1.044 209 I HN 0.260 nan 8.210 nan 0.000 0.408 210 K N 1.137 121.497 120.400 -0.067 0.000 2.002 210 K HA -0.149 4.171 4.320 0.001 0.000 0.209 210 K C 2.173 178.750 176.600 -0.038 0.000 1.048 210 K CA 2.048 58.305 56.287 -0.051 0.000 0.930 210 K CB -0.351 32.118 32.500 -0.052 0.000 0.714 210 K HN 0.167 nan 8.250 nan 0.000 0.438 211 S N 0.569 116.247 115.700 -0.037 0.000 2.387 211 S HA -0.125 4.346 4.470 0.001 0.000 0.230 211 S C 2.024 176.611 174.600 -0.022 0.000 1.035 211 S CA 1.564 59.748 58.200 -0.026 0.000 1.014 211 S CB -0.146 63.040 63.200 -0.024 0.000 0.836 211 S HN 0.158 nan 8.310 nan 0.000 0.466 212 V N 1.033 120.933 119.914 -0.025 0.000 2.492 212 V HA -0.006 4.114 4.120 0.001 0.000 0.241 212 V C 2.448 178.530 176.094 -0.019 0.000 1.041 212 V CA 1.726 64.014 62.300 -0.019 0.000 1.057 212 V CB -0.693 31.119 31.823 -0.018 0.000 0.711 212 V HN 0.715 nan 8.190 nan 0.000 0.468 213 T N -3.361 111.178 114.554 -0.024 0.000 3.010 213 T HA 0.366 4.716 4.350 0.001 0.000 0.257 213 T C 1.578 176.264 174.700 -0.023 0.000 1.020 213 T CA 0.988 63.075 62.100 -0.022 0.000 0.938 213 T CB 0.883 69.737 68.868 -0.024 0.000 1.049 213 T HN 0.880 nan 8.240 nan 0.000 0.522 214 G N 1.431 110.215 108.800 -0.026 0.000 2.212 214 G HA2 -0.281 3.679 3.960 0.001 0.000 0.266 214 G HA3 -0.281 3.679 3.960 0.001 0.000 0.266 214 G C -0.101 174.781 174.900 -0.030 0.000 0.978 214 G CA 0.279 45.363 45.100 -0.026 0.000 0.632 214 G HN 0.677 nan 8.290 nan 0.000 0.537 215 E N 1.405 121.585 120.200 -0.034 0.000 2.442 215 E HA 0.325 4.675 4.350 0.001 0.000 0.262 215 E C -0.671 175.901 176.600 -0.045 0.000 1.004 215 E CA 0.300 56.677 56.400 -0.037 0.000 0.928 215 E CB 0.370 30.046 29.700 -0.041 0.000 0.937 215 E HN 0.281 nan 8.360 nan 0.000 0.446 216 D N 2.349 122.724 120.400 -0.042 0.000 2.381 216 D HA 0.334 4.975 4.640 0.001 0.000 0.235 216 D C -0.827 175.443 176.300 -0.049 0.000 1.068 216 D CA -0.303 53.670 54.000 -0.045 0.000 0.832 216 D CB 1.439 42.218 40.800 -0.035 0.000 1.101 216 D HN 0.189 nan 8.370 nan 0.000 0.515 217 V N -0.834 119.042 119.914 -0.063 0.000 3.048 217 V HA 0.742 4.863 4.120 0.001 0.000 0.303 217 V C 0.083 176.133 176.094 -0.074 0.000 1.214 217 V CA -1.101 61.161 62.300 -0.064 0.000 0.984 217 V CB 1.477 33.256 31.823 -0.074 0.000 1.054 217 V HN 0.504 nan 8.190 nan 0.000 0.430 218 T N 0.308 114.830 114.554 -0.054 0.000 2.874 218 T HA 0.711 5.062 4.350 0.001 0.000 0.281 218 T C 1.383 176.051 174.700 -0.054 0.000 0.994 218 T CA 0.152 62.220 62.100 -0.054 0.000 1.015 218 T CB 1.613 70.464 68.868 -0.028 0.000 1.028 218 T HN 1.820 nan 8.240 nan 0.000 0.523 219 A N 0.713 123.490 122.820 -0.072 0.000 1.940 219 A HA -0.083 4.237 4.320 0.001 0.000 0.219 219 A C 1.980 179.651 177.584 0.144 0.000 1.176 219 A CA 2.124 54.152 52.037 -0.016 0.000 0.631 219 A CB -1.261 17.658 19.000 -0.135 0.000 0.814 219 A HN 1.018 nan 8.150 nan 0.000 0.446 220 D N -0.905 119.558 120.400 0.105 0.000 2.149 220 D HA -0.085 4.556 4.640 0.001 0.000 0.201 220 D C 1.978 178.370 176.300 0.154 0.000 0.972 220 D CA 1.305 55.489 54.000 0.307 0.000 0.835 220 D CB -0.035 40.930 40.800 0.274 0.000 0.966 220 D HN 0.623 nan 8.370 nan 0.000 0.476 221 E N 0.009 120.250 120.200 0.068 0.000 2.106 221 E HA -0.111 4.240 4.350 0.001 0.000 0.192 221 E C 2.093 178.691 176.600 -0.004 0.000 0.984 221 E CA 0.283 56.694 56.400 0.018 0.000 0.806 221 E CB 0.019 29.715 29.700 -0.006 0.000 0.750 221 E HN 0.324 nan 8.360 nan 0.000 0.458 222 L N -0.251 120.978 121.223 0.010 0.000 2.023 222 L HA -0.018 4.322 4.340 0.001 0.000 0.205 222 L C 1.365 178.242 176.870 0.012 0.000 1.073 222 L CA 1.710 56.543 54.840 -0.012 0.000 0.745 222 L CB -0.058 41.960 42.059 -0.069 0.000 0.900 222 L HN 0.203 nan 8.230 nan 0.000 0.435 223 G N -0.922 107.994 108.800 0.195 0.000 4.867 223 G HA2 0.335 4.295 3.960 0.001 0.000 0.258 223 G HA3 0.335 4.295 3.960 0.001 0.000 0.258 223 G C 0.212 175.249 174.900 0.228 0.000 0.999 223 G CA 0.212 45.413 45.100 0.169 0.000 0.797 223 G HN 0.448 nan 8.290 nan 0.000 0.505 224 G N -0.734 108.149 108.800 0.137 0.000 2.562 224 G HA2 0.508 4.469 3.960 0.001 0.000 0.275 224 G HA3 0.508 4.469 3.960 0.001 0.000 0.275 224 G C 1.293 176.204 174.900 0.019 0.000 1.196 224 G CA 0.329 45.435 45.100 0.010 0.000 0.908 224 G HN 0.502 nan 8.290 nan 0.000 0.524 225 A N -0.161 122.637 122.820 -0.037 0.000 1.917 225 A HA -0.096 4.224 4.320 0.001 0.000 0.219 225 A C 2.147 179.743 177.584 0.019 0.000 1.182 225 A CA 2.026 54.070 52.037 0.011 0.000 0.633 225 A CB -0.347 18.636 19.000 -0.028 0.000 0.819 225 A HN 0.573 nan 8.150 nan 0.000 0.448 226 E N -0.235 119.962 120.200 -0.004 0.000 2.106 226 E HA -0.079 4.271 4.350 0.001 0.000 0.192 226 E C 2.339 178.927 176.600 -0.020 0.000 0.984 226 E CA 1.137 57.534 56.400 -0.004 0.000 0.806 226 E CB -0.614 29.084 29.700 -0.003 0.000 0.750 226 E HN 0.603 nan 8.360 nan 0.000 0.458 227 A N 1.553 124.338 122.820 -0.058 0.000 1.873 227 A HA -0.192 4.128 4.320 0.001 0.000 0.215 227 A C 2.006 179.494 177.584 -0.160 0.000 1.186 227 A CA 1.357 53.321 52.037 -0.122 0.000 0.616 227 A CB -0.743 18.142 19.000 -0.191 0.000 0.823 227 A HN 0.240 nan 8.150 nan 0.000 0.442 228 H N -1.622 117.415 119.070 -0.055 0.000 2.353 228 H HA -0.121 4.436 4.556 0.001 0.000 0.300 228 H C 2.089 177.320 175.328 -0.162 0.000 1.090 228 H CA 2.088 58.070 56.048 -0.111 0.000 1.327 228 H CB -0.348 29.340 29.762 -0.122 0.000 1.383 228 H HN 0.529 nan 8.280 nan 0.000 0.508 229 M N 0.744 120.344 119.600 0.001 0.000 2.062 229 M HA -0.034 4.446 4.480 0.001 0.000 0.259 229 M C 2.411 178.725 176.300 0.022 0.000 1.076 229 M CA 2.105 57.378 55.300 -0.045 0.000 1.122 229 M CB -0.601 31.993 32.600 -0.010 0.000 1.312 229 M HN 0.134 nan 8.290 nan 0.000 0.412 230 A N -0.842 122.017 122.820 0.065 0.000 1.970 230 A HA 0.110 4.431 4.320 0.001 0.000 0.216 230 A C 2.066 179.770 177.584 0.201 0.000 1.170 230 A CA 1.514 53.636 52.037 0.141 0.000 0.645 230 A CB -0.639 18.394 19.000 0.054 0.000 0.816 230 A HN 0.607 nan 8.150 nan 0.000 0.447 231 I N -1.816 118.810 120.570 0.095 0.000 2.900 231 I HA -0.030 4.141 4.170 0.001 0.000 0.251 231 I C 2.376 178.538 176.117 0.076 0.000 1.102 231 I CA 0.837 62.188 61.300 0.084 0.000 1.457 231 I CB -0.281 37.719 38.000 0.001 0.000 1.285 231 I HN 0.107 nan 8.210 nan 0.000 0.459 232 S N 0.581 116.255 115.700 -0.043 0.000 2.428 232 S HA 0.004 4.474 4.470 0.001 0.000 0.230 232 S C 1.672 176.128 174.600 -0.241 0.000 1.014 232 S CA 1.039 59.195 58.200 -0.074 0.000 0.957 232 S CB -0.233 62.955 63.200 -0.020 0.000 0.784 232 S HN 0.711 nan 8.310 nan 0.000 0.499 233 G N 1.473 109.912 108.800 -0.602 0.000 2.153 233 G HA2 -0.331 3.630 3.960 0.001 0.000 0.252 233 G HA3 -0.331 3.630 3.960 0.001 0.000 0.252 233 G C 0.475 174.985 174.900 -0.650 0.000 0.994 233 G CA 0.625 44.930 45.100 -1.325 0.000 0.698 233 G HN 0.590 nan 8.290 nan 0.000 0.521 234 N N -0.389 118.097 118.700 -0.358 0.000 2.416 234 N HA 0.236 4.977 4.740 0.001 0.000 0.177 234 N C 1.294 176.601 175.510 -0.339 0.000 1.036 234 N CA 0.964 53.858 53.050 -0.260 0.000 0.901 234 N CB 0.167 38.574 38.487 -0.133 0.000 0.976 234 N HN 0.846 nan 8.380 nan 0.000 0.444 235 I N -3.317 117.030 120.570 -0.372 0.000 3.067 235 I HA 0.382 4.553 4.170 0.001 0.000 0.312 235 I C -0.119 175.683 176.117 -0.526 0.000 1.073 235 I CA -0.773 60.325 61.300 -0.337 0.000 1.016 235 I CB 1.659 39.574 38.000 -0.141 0.000 1.227 235 I HN -0.163 nan 8.210 nan 0.000 0.456 236 H N 1.249 120.253 119.070 -0.110 0.000 2.855 236 H HA 0.473 5.029 4.556 0.001 0.000 0.259 236 H C -1.029 173.874 175.328 -0.709 0.000 0.972 236 H CA 0.332 56.185 56.048 -0.326 0.000 1.213 236 H CB 0.448 30.131 29.762 -0.132 0.000 1.451 236 H HN 0.420 nan 8.280 nan 0.000 0.484 237 F N -0.200 119.824 119.950 0.124 0.000 2.608 237 F HA 0.465 4.992 4.527 0.001 0.000 0.309 237 F C -0.885 174.929 175.800 0.023 0.000 1.103 237 F CA -1.258 56.779 58.000 0.063 0.000 0.954 237 F CB 1.942 40.974 39.000 0.054 0.000 1.267 237 F HN -0.338 nan 8.300 nan 0.000 0.444 238 V N 2.623 122.648 119.914 0.186 0.000 2.398 238 V HA 0.808 4.929 4.120 0.001 0.000 0.286 238 V C -0.244 175.909 176.094 0.098 0.000 1.026 238 V CA -0.627 61.732 62.300 0.098 0.000 0.868 238 V CB 1.332 33.187 31.823 0.053 0.000 0.982 238 V HN 0.881 nan 8.190 nan 0.000 0.443 239 A N 3.445 126.303 122.820 0.063 0.000 2.330 239 A HA 0.649 4.970 4.320 0.001 0.000 0.327 239 A C 0.884 178.480 177.584 0.020 0.000 1.155 239 A CA -0.455 51.607 52.037 0.041 0.000 0.803 239 A CB 1.033 20.052 19.000 0.031 0.000 1.208 239 A HN 0.757 nan 8.150 nan 0.000 0.477 240 E N 0.826 121.035 120.200 0.015 0.000 2.058 240 E HA -0.153 4.197 4.350 0.001 0.000 0.194 240 E C 0.039 176.640 176.600 0.001 0.000 0.997 240 E CA 2.168 58.572 56.400 0.006 0.000 0.801 240 E CB -0.008 29.694 29.700 0.004 0.000 0.746 240 E HN 0.922 nan 8.360 nan 0.000 0.450 241 D N -2.715 117.687 120.400 0.004 0.000 2.838 241 D HA 0.082 4.723 4.640 0.001 0.000 0.334 241 D C 0.284 176.594 176.300 0.016 0.000 1.315 241 D CA -0.538 53.464 54.000 0.004 0.000 0.917 241 D CB -0.138 40.660 40.800 -0.002 0.000 1.435 241 D HN -0.386 nan 8.370 nan 0.000 0.517 242 D N -0.387 120.024 120.400 0.020 0.000 2.123 242 D HA -0.123 4.517 4.640 0.001 0.000 0.196 242 D C 1.091 177.412 176.300 0.035 0.000 0.992 242 D CA 1.262 55.288 54.000 0.043 0.000 0.833 242 D CB -0.177 40.629 40.800 0.010 0.000 0.954 242 D HN 0.370 nan 8.370 nan 0.000 0.455 243 D N 0.252 120.655 120.400 0.004 0.000 2.104 243 D HA -0.116 4.525 4.640 0.001 0.000 0.194 243 D C 2.011 178.309 176.300 -0.003 0.000 0.994 243 D CA 1.466 55.462 54.000 -0.006 0.000 0.830 243 D CB -0.317 40.471 40.800 -0.020 0.000 0.959 243 D HN 0.163 nan 8.370 nan 0.000 0.452 244 A N 0.847 123.665 122.820 -0.003 0.000 1.898 244 A HA -0.020 4.301 4.320 0.001 0.000 0.216 244 A C 2.307 179.883 177.584 -0.014 0.000 1.181 244 A CA 2.183 54.215 52.037 -0.009 0.000 0.620 244 A CB -0.697 18.302 19.000 -0.003 0.000 0.819 244 A HN 0.235 nan 8.150 nan 0.000 0.442 245 A N -0.093 122.732 122.820 0.009 0.000 1.902 245 A HA -0.187 4.134 4.320 0.001 0.000 0.217 245 A C 1.896 179.473 177.584 -0.010 0.000 1.181 245 A CA 1.830 53.870 52.037 0.005 0.000 0.623 245 A CB -0.554 18.484 19.000 0.063 0.000 0.818 245 A HN 0.607 nan 8.150 nan 0.000 0.443 246 E N -0.165 120.064 120.200 0.048 0.000 2.077 246 E HA -0.128 4.222 4.350 0.001 0.000 0.193 246 E C 1.935 178.516 176.600 -0.030 0.000 0.989 246 E CA 1.160 57.590 56.400 0.051 0.000 0.800 246 E CB -0.264 29.487 29.700 0.084 0.000 0.746 246 E HN 0.618 nan 8.360 nan 0.000 0.452 247 L N 0.437 121.634 121.223 -0.043 0.000 2.093 247 L HA -0.166 4.175 4.340 0.001 0.000 0.208 247 L C 2.356 179.158 176.870 -0.113 0.000 1.085 247 L CA 0.864 55.663 54.840 -0.069 0.000 0.755 247 L CB -0.287 41.738 42.059 -0.056 0.000 0.904 247 L HN 0.196 nan 8.230 nan 0.000 0.435 248 I N -0.234 120.250 120.570 -0.143 0.000 2.252 248 I HA -0.275 3.896 4.170 0.001 0.000 0.245 248 I C 2.807 178.730 176.117 -0.324 0.000 1.102 248 I CA 1.109 62.253 61.300 -0.260 0.000 1.385 248 I CB -0.408 37.406 38.000 -0.310 0.000 1.064 248 I HN 0.193 nan 8.210 nan 0.000 0.414 249 A N 0.950 123.618 122.820 -0.253 0.000 1.883 249 A HA -0.254 4.066 4.320 0.001 0.000 0.217 249 A C 2.311 179.771 177.584 -0.205 0.000 1.186 249 A CA 1.844 53.732 52.037 -0.249 0.000 0.624 249 A CB -0.485 18.388 19.000 -0.212 0.000 0.822 249 A HN 0.335 nan 8.150 nan 0.000 0.444 250 K N -0.668 119.640 120.400 -0.154 0.000 2.057 250 K HA -0.155 4.165 4.320 0.001 0.000 0.206 250 K C 2.210 178.717 176.600 -0.156 0.000 1.050 250 K CA 1.552 57.760 56.287 -0.133 0.000 0.935 250 K CB -0.130 32.310 32.500 -0.100 0.000 0.715 250 K HN 0.325 nan 8.250 nan 0.000 0.439 251 K N 1.637 121.944 120.400 -0.155 0.000 2.026 251 K HA -0.154 4.167 4.320 0.001 0.000 0.208 251 K C 1.954 178.501 176.600 -0.089 0.000 1.048 251 K CA 1.074 57.281 56.287 -0.132 0.000 0.929 251 K CB -0.489 31.964 32.500 -0.078 0.000 0.713 251 K HN 0.044 nan 8.250 nan 0.000 0.439 252 L N 0.394 121.523 121.223 -0.157 0.000 2.017 252 L HA -0.063 4.277 4.340 0.001 0.000 0.208 252 L C 2.065 178.830 176.870 -0.175 0.000 1.073 252 L CA 1.636 56.373 54.840 -0.172 0.000 0.745 252 L CB -0.904 40.869 42.059 -0.477 0.000 0.894 252 L HN 0.328 nan 8.230 nan 0.000 0.432 253 L N -0.180 120.923 121.223 -0.198 0.000 2.127 253 L HA -0.179 4.161 4.340 0.001 0.000 0.211 253 L C 2.768 179.544 176.870 -0.156 0.000 1.089 253 L CA 2.048 56.790 54.840 -0.163 0.000 0.757 253 L CB -0.956 41.023 42.059 -0.132 0.000 0.899 253 L HN 0.657 nan 8.230 nan 0.000 0.434 254 S N -1.392 114.181 115.700 -0.212 0.000 2.419 254 S HA -0.218 4.253 4.470 0.001 0.000 0.235 254 S C 1.822 176.218 174.600 -0.341 0.000 1.019 254 S CA 1.405 59.433 58.200 -0.287 0.000 0.982 254 S CB -1.134 61.832 63.200 -0.390 0.000 0.789 254 S HN 0.475 nan 8.310 nan 0.000 0.490 255 F N 1.518 121.356 119.950 -0.187 0.000 2.710 255 F HA 0.433 4.960 4.527 0.001 0.000 0.298 255 F C 0.832 176.507 175.800 -0.208 0.000 1.137 255 F CA -0.165 57.703 58.000 -0.219 0.000 1.444 255 F CB -0.019 38.703 39.000 -0.464 0.000 1.111 255 F HN 0.104 nan 8.300 nan 0.000 0.580 256 L N 1.252 122.450 121.223 -0.043 0.000 2.334 256 L HA 0.442 4.782 4.340 0.001 0.000 0.272 256 L C -2.228 174.647 176.870 0.008 0.000 1.020 256 L CA -2.295 52.531 54.840 -0.024 0.000 0.812 256 L CB 0.982 42.995 42.059 -0.077 0.000 1.264 256 L HN -0.312 nan 8.230 nan 0.000 0.439 257 P HA 0.126 nan 4.420 nan 0.000 0.277 257 P C -0.421 176.915 177.300 0.060 0.000 1.271 257 P CA -0.475 62.677 63.100 0.086 0.000 0.795 257 P CB 1.042 32.834 31.700 0.153 0.000 1.101 258 Q N 0.244 120.092 119.800 0.080 0.000 2.167 258 Q HA -0.064 4.277 4.340 0.001 0.000 0.202 258 Q C 0.561 176.638 176.000 0.128 0.000 0.970 258 Q CA 1.651 57.505 55.803 0.084 0.000 0.855 258 Q CB -0.327 28.462 28.738 0.085 0.000 0.911 258 Q HN 0.698 nan 8.270 nan 0.000 0.438 259 N N -1.782 117.028 118.700 0.184 0.000 3.116 259 N HA -0.013 4.727 4.740 0.001 0.000 0.244 259 N C -0.221 175.477 175.510 0.312 0.000 1.485 259 N CA -0.363 52.853 53.050 0.277 0.000 0.884 259 N CB -0.282 38.309 38.487 0.174 0.000 1.415 259 N HN -0.215 nan 8.380 nan 0.000 0.524 260 N N -1.751 117.082 118.700 0.222 0.000 2.609 260 N HA -0.109 4.632 4.740 0.001 0.000 0.190 260 N C 0.577 176.086 175.510 -0.002 0.000 1.157 260 N CA 1.334 54.376 53.050 -0.013 0.000 0.918 260 N CB -0.705 37.600 38.487 -0.303 0.000 0.978 260 N HN 0.771 nan 8.380 nan 0.000 0.448 261 T N -4.316 110.266 114.554 0.046 0.000 3.107 261 T HA 0.202 4.552 4.350 0.001 0.000 0.249 261 T C 0.106 174.834 174.700 0.046 0.000 1.096 261 T CA -0.164 61.953 62.100 0.029 0.000 1.012 261 T CB 0.021 68.907 68.868 0.030 0.000 0.977 261 T HN 0.236 nan 8.240 nan 0.000 0.527 262 E N 0.351 120.597 120.200 0.076 0.000 2.359 262 E HA 0.548 4.899 4.350 0.001 0.000 0.266 262 E C -1.058 175.607 176.600 0.107 0.000 0.920 262 E CA -0.917 55.532 56.400 0.082 0.000 0.788 262 E CB 2.019 31.768 29.700 0.083 0.000 1.279 262 E HN 0.337 nan 8.360 nan 0.000 0.438 263 E N 0.574 120.840 120.200 0.110 0.000 2.248 263 E HA 0.544 4.895 4.350 0.001 0.000 0.272 263 E C -0.979 175.718 176.600 0.162 0.000 1.008 263 E CA -0.760 55.729 56.400 0.147 0.000 0.856 263 E CB 1.142 30.944 29.700 0.169 0.000 1.120 263 E HN 0.562 nan 8.360 nan 0.000 0.397 264 A N 2.430 125.359 122.820 0.182 0.000 2.498 264 A HA 0.144 4.464 4.320 0.001 0.000 0.239 264 A C -0.011 177.710 177.584 0.228 0.000 1.068 264 A CA -0.073 52.064 52.037 0.166 0.000 0.766 264 A CB 0.275 19.363 19.000 0.146 0.000 1.003 264 A HN 0.606 nan 8.150 nan 0.000 0.497 265 S N 1.363 117.164 115.700 0.168 0.000 2.562 265 S HA 0.328 4.799 4.470 0.001 0.000 0.281 265 S C -0.003 174.796 174.600 0.332 0.000 1.333 265 S CA -0.155 58.158 58.200 0.189 0.000 1.052 265 S CB -0.126 63.130 63.200 0.092 0.000 0.884 265 S HN 0.379 nan 8.310 nan 0.000 0.506 266 F N 1.857 121.832 119.950 0.043 0.000 2.553 266 F HA 0.262 4.789 4.527 0.001 0.000 0.356 266 F C 0.565 176.388 175.800 0.038 0.000 1.142 266 F CA -0.858 57.175 58.000 0.055 0.000 1.322 266 F CB 0.074 39.113 39.000 0.064 0.000 1.126 266 F HN 0.132 nan 8.300 nan 0.000 0.599 267 V N 2.573 122.597 119.914 0.182 0.000 2.638 267 V HA 0.241 4.362 4.120 0.001 0.000 0.306 267 V C -0.089 176.094 176.094 0.149 0.000 1.052 267 V CA -1.528 60.834 62.300 0.103 0.000 0.885 267 V CB 1.615 33.429 31.823 -0.015 0.000 0.999 267 V HN 0.773 nan 8.190 nan 0.000 0.424 268 N N 3.958 122.744 118.700 0.143 0.000 2.696 268 N HA -0.130 4.611 4.740 0.001 0.000 0.271 268 N C -2.121 173.642 175.510 0.421 0.000 0.997 268 N CA 0.335 53.510 53.050 0.209 0.000 0.801 268 N CB -0.226 38.304 38.487 0.071 0.000 0.913 268 N HN 0.507 nan 8.380 nan 0.000 0.557 269 P HA 0.049 nan 4.420 nan 0.000 0.268 269 P C -0.553 176.894 177.300 0.245 0.000 1.204 269 P CA 0.050 63.297 63.100 0.245 0.000 0.768 269 P CB 0.599 32.424 31.700 0.209 0.000 0.842 270 N N 3.149 121.821 118.700 -0.047 0.000 2.501 270 N HA 0.107 4.847 4.740 0.001 0.000 0.245 270 N C 0.141 175.537 175.510 -0.190 0.000 0.974 270 N CA -0.287 52.543 53.050 -0.367 0.000 0.941 270 N CB -0.280 37.505 38.487 -1.170 0.000 1.122 270 N HN 0.243 nan 8.380 nan 0.000 0.507 271 N N 1.577 120.237 118.700 -0.067 0.000 2.398 271 N HA -0.057 4.683 4.740 0.001 0.000 0.188 271 N C -0.606 174.875 175.510 -0.047 0.000 1.122 271 N CA -0.097 52.936 53.050 -0.028 0.000 0.866 271 N CB 0.312 38.816 38.487 0.029 0.000 0.970 271 N HN 0.597 nan 8.380 nan 0.000 0.462 272 D N 0.402 120.749 120.400 -0.087 0.000 2.351 272 D HA 0.088 4.729 4.640 0.001 0.000 0.251 272 D C 0.354 176.606 176.300 -0.079 0.000 1.137 272 D CA -0.384 53.574 54.000 -0.071 0.000 0.879 272 D CB 1.010 41.765 40.800 -0.075 0.000 1.181 272 D HN -0.052 nan 8.370 nan 0.000 0.448 273 V N 0.783 120.666 119.914 -0.052 0.000 2.909 273 V HA 0.375 4.496 4.120 0.001 0.000 0.362 273 V C 0.232 176.301 176.094 -0.042 0.000 1.356 273 V CA -0.738 61.532 62.300 -0.049 0.000 1.195 273 V CB -0.141 31.660 31.823 -0.037 0.000 1.256 273 V HN 0.383 nan 8.190 nan 0.000 0.567 274 S N 3.034 118.710 115.700 -0.040 0.000 2.566 274 S HA 0.350 4.821 4.470 0.001 0.000 0.280 274 S C -1.965 172.612 174.600 -0.038 0.000 1.343 274 S CA 0.074 58.253 58.200 -0.034 0.000 1.036 274 S CB 0.406 63.589 63.200 -0.028 0.000 0.866 274 S HN 0.543 nan 8.310 nan 0.000 0.526 275 P HA 0.197 nan 4.420 nan 0.000 0.269 275 P C -0.555 176.718 177.300 -0.044 0.000 1.209 275 P CA -0.251 62.819 63.100 -0.050 0.000 0.776 275 P CB 0.368 32.035 31.700 -0.054 0.000 0.876 276 N N 0.975 119.645 118.700 -0.050 0.000 2.617 276 N HA 0.066 4.806 4.740 0.001 0.000 0.263 276 N C 0.738 176.212 175.510 -0.060 0.000 1.074 276 N CA -0.140 52.886 53.050 -0.039 0.000 0.841 276 N CB 0.673 39.149 38.487 -0.019 0.000 1.221 276 N HN 0.306 nan 8.380 nan 0.000 0.529 277 T N -0.287 114.230 114.554 -0.061 0.000 2.897 277 T HA -0.102 4.249 4.350 0.001 0.000 0.271 277 T C 1.113 175.768 174.700 -0.074 0.000 1.084 277 T CA 1.139 63.192 62.100 -0.079 0.000 1.123 277 T CB -0.032 68.799 68.868 -0.062 0.000 0.865 277 T HN 0.498 nan 8.240 nan 0.000 0.496 278 E N 0.754 120.928 120.200 -0.044 0.000 2.204 278 E HA -0.004 4.347 4.350 0.001 0.000 0.195 278 E C 2.013 178.595 176.600 -0.030 0.000 0.990 278 E CA 0.778 57.162 56.400 -0.026 0.000 0.821 278 E CB -0.360 29.341 29.700 0.000 0.000 0.750 278 E HN 0.519 nan 8.360 nan 0.000 0.477 279 L N 0.462 121.658 121.223 -0.045 0.000 2.265 279 L HA -0.177 4.164 4.340 0.001 0.000 0.215 279 L C 2.281 179.053 176.870 -0.164 0.000 1.117 279 L CA 0.972 55.793 54.840 -0.032 0.000 0.782 279 L CB -0.146 41.891 42.059 -0.037 0.000 0.914 279 L HN 0.050 nan 8.230 nan 0.000 0.441 280 R N -0.376 119.993 120.500 -0.218 0.000 2.189 280 R HA -0.087 4.253 4.340 0.001 0.000 0.218 280 R C 0.746 176.968 176.300 -0.131 0.000 1.074 280 R CA 0.918 56.865 56.100 -0.254 0.000 0.991 280 R CB -0.068 30.109 30.300 -0.206 0.000 0.883 280 R HN 0.399 nan 8.270 nan 0.000 0.457 281 D N -0.270 120.084 120.400 -0.076 0.000 2.398 281 D HA 0.093 4.734 4.640 0.001 0.000 0.210 281 D C 1.443 177.723 176.300 -0.033 0.000 1.094 281 D CA 0.233 54.206 54.000 -0.045 0.000 0.839 281 D CB 0.486 41.268 40.800 -0.031 0.000 0.963 281 D HN 0.223 nan 8.370 nan 0.000 0.506 282 I N 0.333 120.886 120.570 -0.028 0.000 2.400 282 I HA -0.066 4.105 4.170 0.001 0.000 0.248 282 I C 0.695 176.658 176.117 -0.256 0.000 1.109 282 I CA 0.605 61.872 61.300 -0.054 0.000 1.425 282 I CB 0.423 38.433 38.000 0.016 0.000 1.094 282 I HN -0.242 nan 8.210 nan 0.000 0.425 283 V N 3.405 123.140 119.914 -0.298 0.000 2.385 283 V HA 0.218 4.338 4.120 0.001 0.000 0.269 283 V C -2.185 173.788 176.094 -0.201 0.000 1.043 283 V CA -1.466 60.492 62.300 -0.569 0.000 0.906 283 V CB 0.408 31.998 31.823 -0.388 0.000 0.995 283 V HN 0.049 nan 8.190 nan 0.000 0.467 284 P HA 0.260 nan 4.420 nan 0.000 0.268 284 P C 0.991 178.297 177.300 0.009 0.000 1.205 284 P CA -0.097 62.992 63.100 -0.019 0.000 0.771 284 P CB 0.780 32.501 31.700 0.034 0.000 0.858 285 I N 0.273 120.853 120.570 0.017 0.000 2.676 285 I HA -0.095 4.075 4.170 0.001 0.000 0.259 285 I C 0.852 176.992 176.117 0.038 0.000 1.194 285 I CA 0.924 62.243 61.300 0.031 0.000 1.473 285 I CB -0.239 37.777 38.000 0.025 0.000 1.096 285 I HN 0.387 nan 8.210 nan 0.000 0.443 286 D N 1.442 121.862 120.400 0.033 0.000 2.344 286 D HA 0.051 4.691 4.640 0.001 0.000 0.253 286 D C 1.345 177.670 176.300 0.041 0.000 1.255 286 D CA 0.043 54.063 54.000 0.034 0.000 0.894 286 D CB 1.305 42.122 40.800 0.028 0.000 1.067 286 D HN 0.189 nan 8.370 nan 0.000 0.492 287 G N 3.834 112.658 108.800 0.040 0.000 2.501 287 G HA2 -0.272 3.688 3.960 0.001 0.000 0.220 287 G HA3 -0.272 3.688 3.960 0.001 0.000 0.220 287 G C 1.290 176.201 174.900 0.019 0.000 1.114 287 G CA 0.490 45.611 45.100 0.035 0.000 0.757 287 G HN 0.511 nan 8.290 nan 0.000 0.559 288 K N -0.100 120.310 120.400 0.017 0.000 2.365 288 K HA 0.082 4.402 4.320 0.001 0.000 0.197 288 K C 0.515 177.125 176.600 0.017 0.000 1.042 288 K CA 0.331 56.621 56.287 0.005 0.000 0.987 288 K CB 0.227 32.729 32.500 0.003 0.000 0.779 288 K HN 0.197 nan 8.250 nan 0.000 0.484 289 K N 1.028 121.453 120.400 0.041 0.000 2.201 289 K HA 0.223 4.543 4.320 0.001 0.000 0.278 289 K C 0.305 176.972 176.600 0.111 0.000 1.027 289 K CA -0.593 55.730 56.287 0.061 0.000 0.909 289 K CB 1.734 34.272 32.500 0.063 0.000 1.062 289 K HN 0.035 nan 8.250 nan 0.000 0.465 290 G N 1.594 110.446 108.800 0.085 0.000 2.532 290 G HA2 0.560 4.520 3.960 0.001 0.000 0.291 290 G HA3 0.560 4.520 3.960 0.001 0.000 0.291 290 G C -1.070 173.959 174.900 0.215 0.000 1.349 290 G CA -0.263 44.882 45.100 0.075 0.000 1.038 290 G HN 0.670 nan 8.290 nan 0.000 0.518 291 Y N -3.224 117.064 120.300 -0.020 0.000 2.814 291 Y HA 0.530 5.080 4.550 0.001 0.000 0.348 291 Y C -1.694 174.193 175.900 -0.021 0.000 1.245 291 Y CA -1.618 56.476 58.100 -0.010 0.000 1.086 291 Y CB 1.047 39.510 38.460 0.004 0.000 1.373 291 Y HN 0.436 nan 8.280 nan 0.000 0.451 292 D N 1.157 121.597 120.400 0.067 0.000 2.373 292 D HA 0.177 4.818 4.640 0.001 0.000 0.227 292 D C 0.580 176.903 176.300 0.039 0.000 1.091 292 D CA -0.033 53.944 54.000 -0.038 0.000 0.840 292 D CB 2.248 43.061 40.800 0.021 0.000 1.060 292 D HN 0.643 nan 8.370 nan 0.000 0.502 293 V N 5.516 125.353 119.914 -0.128 0.000 2.828 293 V HA -0.192 3.928 4.120 0.001 0.000 0.260 293 V C 2.123 178.200 176.094 -0.028 0.000 1.101 293 V CA 1.642 63.938 62.300 -0.008 0.000 1.123 293 V CB -0.309 31.435 31.823 -0.132 0.000 0.704 293 V HN 0.495 nan 8.190 nan 0.000 0.493 294 R N -0.303 120.155 120.500 -0.070 0.000 2.189 294 R HA -0.109 4.231 4.340 0.001 0.000 0.223 294 R C 1.851 178.137 176.300 -0.023 0.000 1.092 294 R CA 1.469 57.487 56.100 -0.135 0.000 0.989 294 R CB -0.271 29.989 30.300 -0.067 0.000 0.876 294 R HN 0.543 nan 8.270 nan 0.000 0.457 295 D N -0.083 120.355 120.400 0.063 0.000 2.178 295 D HA -0.096 4.544 4.640 0.001 0.000 0.202 295 D C 1.873 178.230 176.300 0.094 0.000 0.974 295 D CA 0.929 54.990 54.000 0.100 0.000 0.841 295 D CB 0.044 40.919 40.800 0.124 0.000 0.953 295 D HN 0.008 nan 8.370 nan 0.000 0.478 296 V N 1.238 121.208 119.914 0.095 0.000 2.270 296 V HA -0.191 3.929 4.120 0.001 0.000 0.245 296 V C 2.569 178.689 176.094 0.045 0.000 1.043 296 V CA 0.991 63.349 62.300 0.097 0.000 1.014 296 V CB -0.353 31.516 31.823 0.076 0.000 0.645 296 V HN 0.153 nan 8.190 nan 0.000 0.447 297 I N 0.781 121.326 120.570 -0.042 0.000 2.151 297 I HA -0.320 3.851 4.170 0.001 0.000 0.243 297 I C 2.705 178.812 176.117 -0.016 0.000 1.080 297 I CA 1.738 62.976 61.300 -0.104 0.000 1.339 297 I CB -0.660 37.132 38.000 -0.347 0.000 1.039 297 I HN 0.312 nan 8.210 nan 0.000 0.409 298 A N 0.594 123.436 122.820 0.037 0.000 1.948 298 A HA -0.245 4.075 4.320 0.001 0.000 0.220 298 A C 2.244 179.905 177.584 0.128 0.000 1.177 298 A CA 1.821 53.964 52.037 0.176 0.000 0.636 298 A CB -0.455 18.677 19.000 0.220 0.000 0.815 298 A HN 0.407 nan 8.150 nan 0.000 0.449 299 K N -1.065 119.390 120.400 0.092 0.000 2.418 299 K HA 0.267 4.587 4.320 0.001 0.000 0.195 299 K C 1.373 178.005 176.600 0.054 0.000 1.035 299 K CA 0.513 56.844 56.287 0.073 0.000 1.003 299 K CB 0.015 32.559 32.500 0.074 0.000 0.793 299 K HN 0.533 nan 8.250 nan 0.000 0.494 300 I N 0.750 121.355 120.570 0.059 0.000 2.628 300 I HA -0.066 4.104 4.170 0.001 0.000 0.255 300 I C 0.834 176.967 176.117 0.026 0.000 1.119 300 I CA 0.053 61.380 61.300 0.045 0.000 1.448 300 I CB 0.462 38.495 38.000 0.055 0.000 1.133 300 I HN -0.109 nan 8.210 nan 0.000 0.438 301 V N -1.030 118.915 119.914 0.052 0.000 2.785 301 V HA 0.273 4.394 4.120 0.001 0.000 0.300 301 V C -0.361 175.736 176.094 0.005 0.000 1.062 301 V CA -0.998 61.338 62.300 0.061 0.000 1.029 301 V CB 0.666 32.577 31.823 0.147 0.000 1.024 301 V HN 0.021 nan 8.190 nan 0.000 0.477 302 D N 3.234 123.594 120.400 -0.067 0.000 2.531 302 D HA 0.058 4.698 4.640 0.001 0.000 0.239 302 D C 0.371 176.574 176.300 -0.163 0.000 1.144 302 D CA 1.168 54.957 54.000 -0.352 0.000 0.869 302 D CB -0.304 40.270 40.800 -0.376 0.000 1.160 302 D HN 0.896 nan 8.370 nan 0.000 0.484 303 W N 1.271 122.618 121.300 0.079 0.000 3.572 303 W HA -0.263 4.397 4.660 0.001 0.000 0.298 303 W C 1.558 178.130 176.519 0.089 0.000 1.113 303 W CA 0.057 57.444 57.345 0.071 0.000 0.657 303 W CB -2.050 27.444 29.460 0.057 0.000 2.150 303 W HN 0.768 nan 8.180 nan 0.000 1.471 304 G N 0.028 108.964 108.800 0.226 0.000 2.166 304 G HA2 -0.384 3.576 3.960 0.001 0.000 0.260 304 G HA3 -0.384 3.576 3.960 0.001 0.000 0.260 304 G C -0.089 174.991 174.900 0.301 0.000 0.986 304 G CA 0.313 45.560 45.100 0.246 0.000 0.683 304 G HN 0.539 nan 8.290 nan 0.000 0.527 305 D N 0.168 120.755 120.400 0.312 0.000 2.277 305 D HA 0.587 5.228 4.640 0.001 0.000 0.249 305 D C 0.169 176.682 176.300 0.354 0.000 1.134 305 D CA -0.383 53.772 54.000 0.257 0.000 0.863 305 D CB 0.164 41.141 40.800 0.295 0.000 1.143 305 D HN 0.570 nan 8.370 nan 0.000 0.458 306 Y N 1.652 122.075 120.300 0.206 0.000 2.581 306 Y HA 0.545 5.096 4.550 0.001 0.000 0.337 306 Y C -2.035 173.963 175.900 0.162 0.000 1.108 306 Y CA -1.597 56.606 58.100 0.172 0.000 1.033 306 Y CB 0.849 39.362 38.460 0.088 0.000 1.318 306 Y HN 0.238 nan 8.280 nan 0.000 0.459 307 L N 2.851 124.230 121.223 0.260 0.000 2.353 307 L HA 0.489 4.829 4.340 0.001 0.000 0.270 307 L C -0.571 176.444 176.870 0.242 0.000 1.003 307 L CA -0.341 54.642 54.840 0.237 0.000 0.862 307 L CB 1.167 43.407 42.059 0.301 0.000 1.221 307 L HN 0.799 nan 8.230 nan 0.000 0.430 308 E N 2.810 123.158 120.200 0.246 0.000 2.384 308 E HA 0.249 4.600 4.350 0.001 0.000 0.266 308 E C -0.935 175.646 176.600 -0.032 0.000 1.012 308 E CA -0.169 56.280 56.400 0.082 0.000 0.901 308 E CB 1.378 31.133 29.700 0.090 0.000 0.967 308 E HN 0.412 nan 8.360 nan 0.000 0.435 309 V N 4.518 124.274 119.914 -0.262 0.000 2.435 309 V HA 0.113 4.234 4.120 0.001 0.000 0.290 309 V C 0.269 176.148 176.094 -0.357 0.000 1.030 309 V CA -0.544 61.496 62.300 -0.434 0.000 0.881 309 V CB 1.335 33.007 31.823 -0.251 0.000 0.983 309 V HN 0.798 nan 8.190 nan 0.000 0.445 310 K N 2.334 122.489 120.400 -0.407 0.000 3.077 310 K HA -0.273 4.047 4.320 0.001 0.000 0.264 310 K C 1.418 177.941 176.600 -0.128 0.000 1.008 310 K CA 0.529 56.680 56.287 -0.227 0.000 0.740 310 K CB -1.261 31.162 32.500 -0.128 0.000 1.273 310 K HN 0.949 nan 8.250 nan 0.000 0.477 311 A N 0.067 122.802 122.820 -0.142 0.000 1.986 311 A HA -0.127 4.193 4.320 0.001 0.000 0.220 311 A C 2.074 179.640 177.584 -0.031 0.000 1.171 311 A CA 2.027 54.025 52.037 -0.065 0.000 0.640 311 A CB -0.209 18.783 19.000 -0.012 0.000 0.811 311 A HN 0.607 nan 8.150 nan 0.000 0.451 312 G N -3.240 105.553 108.800 -0.011 0.000 3.189 312 G HA2 0.333 4.294 3.960 0.001 0.000 0.225 312 G HA3 0.333 4.294 3.960 0.001 0.000 0.225 312 G C -0.002 174.936 174.900 0.064 0.000 1.159 312 G CA 0.056 45.165 45.100 0.014 0.000 0.763 312 G HN 0.402 nan 8.290 nan 0.000 0.549 313 Y N 0.550 120.791 120.300 -0.098 0.000 2.429 313 Y HA 0.489 5.039 4.550 0.001 0.000 0.342 313 Y C 0.411 176.256 175.900 -0.091 0.000 1.004 313 Y CA -1.287 56.757 58.100 -0.093 0.000 1.075 313 Y CB 1.929 40.322 38.460 -0.112 0.000 1.214 313 Y HN 0.328 nan 8.280 nan 0.000 0.455 314 A N 3.275 125.676 122.820 -0.697 0.000 2.261 314 A HA -0.265 4.055 4.320 0.001 0.000 0.282 314 A C 1.176 178.596 177.584 -0.272 0.000 1.403 314 A CA 1.366 53.073 52.037 -0.550 0.000 0.753 314 A CB -2.287 16.312 19.000 -0.668 0.000 1.125 314 A HN 1.260 nan 8.150 nan 0.000 0.358 315 T N -0.979 113.456 114.554 -0.198 0.000 3.155 315 T HA -0.123 4.227 4.350 0.001 0.000 0.264 315 T C 1.294 175.905 174.700 -0.148 0.000 1.160 315 T CA 1.017 63.031 62.100 -0.143 0.000 1.075 315 T CB -0.540 68.264 68.868 -0.106 0.000 0.921 315 T HN 0.912 nan 8.240 nan 0.000 0.533 316 N N 1.042 119.644 118.700 -0.163 0.000 2.550 316 N HA 0.067 4.807 4.740 0.001 0.000 0.186 316 N C 0.234 175.651 175.510 -0.155 0.000 1.110 316 N CA 0.101 53.057 53.050 -0.157 0.000 0.912 316 N CB -0.123 38.274 38.487 -0.150 0.000 0.968 316 N HN 0.505 nan 8.380 nan 0.000 0.448 317 L N 0.222 121.354 121.223 -0.151 0.000 2.470 317 L HA 0.452 4.792 4.340 0.001 0.000 0.268 317 L C -1.446 175.333 176.870 -0.151 0.000 0.964 317 L CA -0.737 54.021 54.840 -0.136 0.000 0.839 317 L CB 2.394 44.390 42.059 -0.104 0.000 1.276 317 L HN -0.271 nan 8.230 nan 0.000 0.403 318 V N 3.135 122.950 119.914 -0.165 0.000 2.394 318 V HA 0.622 4.742 4.120 0.001 0.000 0.282 318 V C 0.035 175.961 176.094 -0.280 0.000 1.031 318 V CA -0.158 62.020 62.300 -0.203 0.000 0.881 318 V CB 1.740 33.443 31.823 -0.201 0.000 0.982 318 V HN 0.852 nan 8.190 nan 0.000 0.451 319 T N 2.022 116.325 114.554 -0.419 0.000 2.809 319 T HA 0.872 5.223 4.350 0.001 0.000 0.284 319 T C -0.538 173.636 174.700 -0.878 0.000 0.992 319 T CA -0.504 61.089 62.100 -0.845 0.000 0.957 319 T CB 1.672 69.845 68.868 -1.159 0.000 0.942 319 T HN 1.057 nan 8.240 nan 0.000 0.439 320 A N 3.043 125.405 122.820 -0.763 0.000 2.549 320 A HA 0.775 5.095 4.320 0.001 0.000 0.297 320 A C -1.110 176.330 177.584 -0.239 0.000 1.061 320 A CA -1.033 50.761 52.037 -0.406 0.000 0.690 320 A CB 1.200 20.134 19.000 -0.109 0.000 1.287 320 A HN 0.783 nan 8.150 nan 0.000 0.402 321 F N 0.959 120.853 119.950 -0.092 0.000 2.384 321 F HA 0.628 5.156 4.527 0.001 0.000 0.338 321 F C 0.921 176.468 175.800 -0.423 0.000 1.103 321 F CA 0.983 58.754 58.000 -0.381 0.000 1.157 321 F CB 1.773 40.083 39.000 -1.150 0.000 1.167 321 F HN 0.927 nan 8.300 nan 0.000 0.529 322 A N 3.426 126.275 122.820 0.049 0.000 2.524 322 A HA 0.877 5.197 4.320 0.001 0.000 0.303 322 A C -1.218 176.612 177.584 0.410 0.000 1.195 322 A CA -1.034 51.187 52.037 0.305 0.000 0.651 322 A CB 1.730 20.877 19.000 0.245 0.000 1.323 322 A HN 0.712 nan 8.150 nan 0.000 0.479 323 R N -0.970 119.729 120.500 0.331 0.000 2.771 323 R HA 0.679 5.019 4.340 0.001 0.000 0.274 323 R C -1.908 174.439 176.300 0.078 0.000 0.987 323 R CA -0.763 55.459 56.100 0.202 0.000 0.908 323 R CB 2.461 32.874 30.300 0.189 0.000 1.213 323 R HN 0.430 nan 8.270 nan 0.000 0.468 324 V N 2.089 122.001 119.914 -0.004 0.000 2.443 324 V HA 0.217 4.337 4.120 0.001 0.000 0.293 324 V C -0.046 175.987 176.094 -0.103 0.000 1.021 324 V CA -0.850 61.427 62.300 -0.038 0.000 0.848 324 V CB 1.320 33.142 31.823 -0.001 0.000 0.998 324 V HN 0.948 nan 8.190 nan 0.000 0.424 325 N N 3.873 122.512 118.700 -0.102 0.000 2.735 325 N HA -0.243 4.497 4.740 0.001 0.000 0.248 325 N C 1.132 176.559 175.510 -0.138 0.000 1.083 325 N CA 0.607 53.609 53.050 -0.079 0.000 0.703 325 N CB -0.788 37.686 38.487 -0.022 0.000 1.005 325 N HN 1.412 nan 8.380 nan 0.000 0.550 326 G N -0.120 108.598 108.800 -0.136 0.000 2.225 326 G HA2 -0.403 3.557 3.960 0.001 0.000 0.254 326 G HA3 -0.403 3.557 3.960 0.001 0.000 0.254 326 G C 0.123 174.697 174.900 -0.543 0.000 0.988 326 G CA 0.536 45.535 45.100 -0.168 0.000 0.625 326 G HN 0.581 nan 8.290 nan 0.000 0.527 327 R N 1.277 121.290 120.500 -0.812 0.000 2.308 327 R HA 0.520 4.861 4.340 0.001 0.000 0.305 327 R C 0.111 176.319 176.300 -0.153 0.000 1.053 327 R CA -0.010 55.611 56.100 -0.799 0.000 0.957 327 R CB 0.363 30.244 30.300 -0.698 0.000 1.022 327 R HN 0.163 nan 8.270 nan 0.000 0.461 328 S N 2.915 118.635 115.700 0.033 0.000 2.537 328 S HA 0.189 4.660 4.470 0.001 0.000 0.286 328 S C -0.203 174.534 174.600 0.227 0.000 1.299 328 S CA -0.507 57.849 58.200 0.260 0.000 1.067 328 S CB 0.849 64.235 63.200 0.309 0.000 0.864 328 S HN 0.480 nan 8.310 nan 0.000 0.494 329 V N 0.445 120.526 119.914 0.279 0.000 3.078 329 V HA 1.006 5.126 4.120 0.001 0.000 0.311 329 V C 0.045 176.333 176.094 0.324 0.000 1.138 329 V CA -1.064 61.382 62.300 0.244 0.000 1.007 329 V CB 1.749 33.675 31.823 0.172 0.000 1.045 329 V HN 0.816 nan 8.190 nan 0.000 0.432 330 G N 1.974 110.944 108.800 0.283 0.000 2.372 330 G HA2 0.721 4.682 3.960 0.001 0.000 0.323 330 G HA3 0.721 4.682 3.960 0.001 0.000 0.323 330 G C -0.946 174.175 174.900 0.368 0.000 1.152 330 G CA -0.735 44.583 45.100 0.363 0.000 0.906 330 G HN 0.797 nan 8.290 nan 0.000 0.460 331 I N 1.804 122.547 120.570 0.289 0.000 2.377 331 I HA 0.343 4.513 4.170 0.001 0.000 0.293 331 I C -0.521 175.623 176.117 0.045 0.000 0.987 331 I CA -0.931 60.442 61.300 0.121 0.000 1.185 331 I CB 2.270 40.268 38.000 -0.003 0.000 1.341 331 I HN 0.039 nan 8.210 nan 0.000 0.455 332 V N 5.658 125.625 119.914 0.088 0.000 2.407 332 V HA 0.766 4.887 4.120 0.001 0.000 0.291 332 V C -0.174 175.917 176.094 -0.005 0.000 1.018 332 V CA -0.421 61.910 62.300 0.052 0.000 0.842 332 V CB 1.393 33.359 31.823 0.238 0.000 0.996 332 V HN 0.832 nan 8.190 nan 0.000 0.426 333 A N 4.060 126.834 122.820 -0.076 0.000 2.427 333 A HA 0.728 5.048 4.320 0.001 0.000 0.298 333 A C -0.530 176.983 177.584 -0.118 0.000 1.036 333 A CA -0.826 51.154 52.037 -0.096 0.000 0.701 333 A CB 1.059 19.986 19.000 -0.122 0.000 1.250 333 A HN 0.822 nan 8.150 nan 0.000 0.412 334 N N 1.146 119.776 118.700 -0.117 0.000 2.492 334 N HA 0.361 5.101 4.740 0.001 0.000 0.260 334 N C -0.196 175.199 175.510 -0.192 0.000 1.215 334 N CA 0.071 53.035 53.050 -0.143 0.000 0.923 334 N CB 0.533 38.939 38.487 -0.135 0.000 1.092 334 N HN 0.618 nan 8.380 nan 0.000 0.448 335 Q N 2.652 122.327 119.800 -0.209 0.000 2.509 335 Q HA 0.339 4.679 4.340 0.001 0.000 0.236 335 Q C -2.291 173.532 176.000 -0.295 0.000 1.073 335 Q CA -2.221 53.428 55.803 -0.257 0.000 0.867 335 Q CB 1.310 29.930 28.738 -0.197 0.000 1.181 335 Q HN 0.363 nan 8.270 nan 0.000 0.526 336 P HA -0.139 nan 4.420 nan 0.000 0.221 336 P C 0.552 177.678 177.300 -0.290 0.000 1.145 336 P CA 1.219 64.088 63.100 -0.385 0.000 0.795 336 P CB 0.297 31.648 31.700 -0.581 0.000 0.775 337 S N -2.319 113.203 115.700 -0.297 0.000 2.561 337 S HA 0.053 4.523 4.470 0.001 0.000 0.225 337 S C 0.668 175.187 174.600 -0.135 0.000 0.977 337 S CA 0.095 58.188 58.200 -0.179 0.000 0.926 337 S CB -0.671 62.439 63.200 -0.150 0.000 0.769 337 S HN -0.111 nan 8.310 nan 0.000 0.533 338 V N 2.090 121.914 119.914 -0.151 0.000 2.483 338 V HA 0.412 4.532 4.120 0.001 0.000 0.297 338 V C 0.121 176.140 176.094 -0.126 0.000 1.027 338 V CA -0.859 61.367 62.300 -0.124 0.000 0.855 338 V CB 0.940 32.687 31.823 -0.126 0.000 0.995 338 V HN 0.499 nan 8.190 nan 0.000 0.424 339 M N 2.873 122.409 119.600 -0.105 0.000 2.436 339 M HA -0.268 4.212 4.480 0.001 0.000 0.197 339 M C 0.912 177.147 176.300 -0.109 0.000 0.442 339 M CA 0.949 56.190 55.300 -0.099 0.000 0.473 339 M CB -1.670 30.869 32.600 -0.102 0.000 1.685 339 M HN 0.872 nan 8.290 nan 0.000 0.835 340 S N -1.910 113.722 115.700 -0.114 0.000 3.445 340 S HA -0.168 4.302 4.470 0.001 0.000 0.319 340 S C 1.226 175.738 174.600 -0.146 0.000 1.209 340 S CA 1.448 59.575 58.200 -0.122 0.000 0.934 340 S CB -1.756 61.380 63.200 -0.107 0.000 0.999 340 S HN 1.698 nan 8.310 nan 0.000 0.582 341 G N -1.184 107.520 108.800 -0.160 0.000 2.159 341 G HA2 -0.361 3.600 3.960 0.001 0.000 0.256 341 G HA3 -0.361 3.600 3.960 0.001 0.000 0.256 341 G C 0.377 175.177 174.900 -0.166 0.000 0.977 341 G CA 0.027 45.023 45.100 -0.173 0.000 0.652 341 G HN 0.992 nan 8.290 nan 0.000 0.531 342 C N 0.672 119.880 119.300 -0.153 0.000 2.679 342 C HA 0.480 4.941 4.460 0.001 0.000 0.417 342 C C 1.430 176.319 174.990 -0.167 0.000 1.302 342 C CA -0.248 58.674 59.018 -0.161 0.000 1.973 342 C CB -0.219 27.455 27.740 -0.110 0.000 2.715 342 C HN 0.489 nan 8.230 nan 0.000 0.628 343 L N 3.835 124.912 121.223 -0.242 0.000 2.379 343 L HA 0.502 4.843 4.340 0.001 0.000 0.269 343 L C 0.091 176.972 176.870 0.018 0.000 1.084 343 L CA 0.135 54.868 54.840 -0.179 0.000 0.802 343 L CB 1.043 42.869 42.059 -0.390 0.000 1.175 343 L HN 0.798 nan 8.230 nan 0.000 0.448 344 D N 0.739 121.187 120.400 0.080 0.000 2.752 344 D HA 0.236 4.876 4.640 0.001 0.000 0.313 344 D C 0.840 177.190 176.300 0.083 0.000 1.225 344 D CA -0.691 53.372 54.000 0.105 0.000 0.976 344 D CB 0.760 41.554 40.800 -0.010 0.000 1.443 344 D HN 0.306 nan 8.370 nan 0.000 0.515 345 I N -0.004 120.566 120.570 -0.000 0.000 2.113 345 I HA -0.330 3.840 4.170 0.001 0.000 0.242 345 I C 1.710 177.805 176.117 -0.037 0.000 1.064 345 I CA 1.558 62.809 61.300 -0.081 0.000 1.320 345 I CB -0.460 37.373 38.000 -0.278 0.000 1.028 345 I HN 0.316 nan 8.210 nan 0.000 0.406 346 N N 0.972 119.627 118.700 -0.075 0.000 2.142 346 N HA -0.107 4.633 4.740 0.001 0.000 0.186 346 N C 1.824 177.296 175.510 -0.064 0.000 1.023 346 N CA 1.598 54.606 53.050 -0.071 0.000 0.852 346 N CB -0.483 37.802 38.487 -0.336 0.000 0.998 346 N HN 0.372 nan 8.380 nan 0.000 0.424 347 A N 0.213 122.972 122.820 -0.101 0.000 2.015 347 A HA -0.027 4.294 4.320 0.001 0.000 0.219 347 A C 2.407 180.023 177.584 0.054 0.000 1.163 347 A CA 1.365 53.365 52.037 -0.061 0.000 0.646 347 A CB -0.515 18.436 19.000 -0.082 0.000 0.806 347 A HN 0.229 nan 8.150 nan 0.000 0.448 348 S N 0.183 115.949 115.700 0.110 0.000 2.368 348 S HA -0.137 4.334 4.470 0.001 0.000 0.224 348 S C 1.617 176.325 174.600 0.180 0.000 1.029 348 S CA 1.359 59.664 58.200 0.175 0.000 0.988 348 S CB -0.353 62.978 63.200 0.219 0.000 0.838 348 S HN 0.605 nan 8.310 nan 0.000 0.462 349 D N 1.111 121.629 120.400 0.196 0.000 2.097 349 D HA -0.089 4.552 4.640 0.001 0.000 0.195 349 D C 1.928 178.349 176.300 0.202 0.000 0.989 349 D CA 0.988 55.119 54.000 0.219 0.000 0.827 349 D CB -0.286 40.664 40.800 0.249 0.000 0.966 349 D HN 0.343 nan 8.370 nan 0.000 0.456 350 K N 0.689 121.209 120.400 0.200 0.000 2.032 350 K HA -0.159 4.162 4.320 0.001 0.000 0.209 350 K C 1.991 178.672 176.600 0.135 0.000 1.048 350 K CA 1.503 57.889 56.287 0.166 0.000 0.927 350 K CB -0.051 32.530 32.500 0.135 0.000 0.712 350 K HN 0.033 nan 8.250 nan 0.000 0.441 351 A N 0.940 123.833 122.820 0.121 0.000 1.873 351 A HA -0.056 4.264 4.320 0.001 0.000 0.215 351 A C 2.357 180.024 177.584 0.137 0.000 1.186 351 A CA 1.793 53.907 52.037 0.129 0.000 0.616 351 A CB -0.913 18.165 19.000 0.130 0.000 0.823 351 A HN 0.492 nan 8.150 nan 0.000 0.442 352 A N -0.312 122.599 122.820 0.151 0.000 1.908 352 A HA -0.226 4.094 4.320 0.001 0.000 0.218 352 A C 2.061 179.733 177.584 0.146 0.000 1.181 352 A CA 1.940 54.078 52.037 0.167 0.000 0.627 352 A CB -0.599 18.597 19.000 0.327 0.000 0.818 352 A HN 0.692 nan 8.150 nan 0.000 0.445 353 E N -1.513 118.794 120.200 0.178 0.000 2.077 353 E HA -0.203 4.147 4.350 0.001 0.000 0.193 353 E C 1.785 178.492 176.600 0.178 0.000 0.989 353 E CA 1.307 57.792 56.400 0.141 0.000 0.800 353 E CB -0.256 29.535 29.700 0.153 0.000 0.746 353 E HN 0.582 nan 8.360 nan 0.000 0.452 354 F N 0.794 120.777 119.950 0.055 0.000 2.146 354 F HA -0.168 4.359 4.527 0.001 0.000 0.298 354 F C 2.053 177.904 175.800 0.085 0.000 1.096 354 F CA 1.125 59.170 58.000 0.075 0.000 1.275 354 F CB -0.363 38.632 39.000 -0.008 0.000 1.008 354 F HN -0.120 nan 8.300 nan 0.000 0.480 355 V N 0.748 120.657 119.914 -0.008 0.000 2.295 355 V HA -0.357 3.764 4.120 0.001 0.000 0.246 355 V C 2.053 178.049 176.094 -0.163 0.000 1.049 355 V CA 2.465 64.637 62.300 -0.213 0.000 1.024 355 V CB -0.960 30.566 31.823 -0.495 0.000 0.648 355 V HN 0.395 nan 8.190 nan 0.000 0.447 356 N N -0.703 117.936 118.700 -0.102 0.000 2.120 356 N HA -0.213 4.527 4.740 0.001 0.000 0.188 356 N C 1.844 177.305 175.510 -0.081 0.000 1.024 356 N CA 1.591 54.570 53.050 -0.118 0.000 0.852 356 N CB -0.243 38.133 38.487 -0.185 0.000 1.003 356 N HN 0.497 nan 8.380 nan 0.000 0.424 357 F N 1.730 121.622 119.950 -0.096 0.000 2.075 357 F HA -0.203 4.324 4.527 0.001 0.000 0.297 357 F C 2.349 178.198 175.800 0.081 0.000 1.113 357 F CA 1.137 59.150 58.000 0.021 0.000 1.218 357 F CB -0.623 38.402 39.000 0.041 0.000 0.984 357 F HN 0.057 nan 8.300 nan 0.000 0.472 358 C N 0.548 119.836 119.300 -0.020 0.000 2.401 358 C HA -0.234 4.226 4.460 0.001 0.000 0.276 358 C C 2.583 177.494 174.990 -0.132 0.000 1.233 358 C CA 1.755 60.733 59.018 -0.067 0.000 1.753 358 C CB -1.330 26.303 27.740 -0.178 0.000 2.029 358 C HN 0.664 nan 8.230 nan 0.000 0.478 359 D N 0.345 120.654 120.400 -0.152 0.000 2.117 359 D HA -0.115 4.526 4.640 0.001 0.000 0.197 359 D C 2.214 178.374 176.300 -0.233 0.000 0.987 359 D CA 1.650 55.563 54.000 -0.145 0.000 0.829 359 D CB -0.112 40.611 40.800 -0.129 0.000 0.961 359 D HN 0.338 nan 8.370 nan 0.000 0.460 360 S N -1.202 114.283 115.700 -0.359 0.000 2.399 360 S HA -0.093 4.378 4.470 0.001 0.000 0.231 360 S C 1.003 175.081 174.600 -0.870 0.000 1.022 360 S CA 0.698 58.536 58.200 -0.603 0.000 0.983 360 S CB -0.260 62.503 63.200 -0.728 0.000 0.803 360 S HN 0.330 nan 8.310 nan 0.000 0.480 361 F N 1.628 121.348 119.950 -0.382 0.000 2.750 361 F HA 0.361 4.888 4.527 0.001 0.000 0.297 361 F C 0.478 176.204 175.800 -0.124 0.000 1.138 361 F CA -0.537 57.300 58.000 -0.272 0.000 1.346 361 F CB -0.158 38.602 39.000 -0.400 0.000 0.965 361 F HN 0.009 nan 8.300 nan 0.000 0.514 362 N N 1.029 119.710 118.700 -0.033 0.000 2.754 362 N HA -0.222 4.518 4.740 0.001 0.000 0.248 362 N C -0.469 175.095 175.510 0.089 0.000 1.093 362 N CA 0.632 53.700 53.050 0.030 0.000 0.699 362 N CB -1.721 36.798 38.487 0.053 0.000 1.016 362 N HN 0.369 nan 8.380 nan 0.000 0.552 363 I N 1.017 121.642 120.570 0.091 0.000 2.321 363 I HA 0.263 4.433 4.170 0.001 0.000 0.291 363 I C -2.014 174.172 176.117 0.116 0.000 0.998 363 I CA -1.922 59.467 61.300 0.147 0.000 1.227 363 I CB 1.432 39.571 38.000 0.232 0.000 1.368 363 I HN -0.272 nan 8.210 nan 0.000 0.466 364 P HA 0.117 nan 4.420 nan 0.000 0.268 364 P C -0.957 176.418 177.300 0.125 0.000 1.208 364 P CA -0.006 63.165 63.100 0.118 0.000 0.777 364 P CB 0.525 32.303 31.700 0.129 0.000 0.875 365 L N 2.272 123.570 121.223 0.125 0.000 2.305 365 L HA 0.433 4.773 4.340 0.001 0.000 0.284 365 L C -0.578 176.388 176.870 0.159 0.000 1.013 365 L CA -0.819 54.122 54.840 0.169 0.000 0.819 365 L CB 1.709 43.910 42.059 0.237 0.000 1.227 365 L HN 0.048 nan 8.230 nan 0.000 0.417 366 V N 3.057 123.068 119.914 0.162 0.000 2.409 366 V HA 0.380 4.500 4.120 0.001 0.000 0.291 366 V C -0.403 175.749 176.094 0.097 0.000 1.020 366 V CA -0.696 61.672 62.300 0.113 0.000 0.848 366 V CB 1.647 33.532 31.823 0.103 0.000 0.990 366 V HN 0.655 nan 8.190 nan 0.000 0.430 367 Q N 4.320 124.148 119.800 0.047 0.000 2.282 367 Q HA 0.692 5.033 4.340 0.001 0.000 0.260 367 Q C -0.980 175.001 176.000 -0.032 0.000 0.964 367 Q CA -0.145 55.662 55.803 0.007 0.000 0.880 367 Q CB 2.120 30.816 28.738 -0.070 0.000 1.286 367 Q HN 0.660 nan 8.270 nan 0.000 0.445 368 L N 2.436 123.625 121.223 -0.058 0.000 2.342 368 L HA 0.579 4.920 4.340 0.001 0.000 0.276 368 L C -0.955 175.848 176.870 -0.113 0.000 0.997 368 L CA -1.054 53.715 54.840 -0.117 0.000 0.838 368 L CB 1.362 43.343 42.059 -0.130 0.000 1.224 368 L HN 0.295 nan 8.230 nan 0.000 0.416 369 V N 1.826 121.668 119.914 -0.119 0.000 2.394 369 V HA 0.444 4.564 4.120 0.001 0.000 0.282 369 V C -0.511 175.540 176.094 -0.071 0.000 1.031 369 V CA -0.268 61.989 62.300 -0.072 0.000 0.881 369 V CB 1.739 33.558 31.823 -0.007 0.000 0.982 369 V HN 0.657 nan 8.190 nan 0.000 0.451 370 D N 3.548 123.915 120.400 -0.054 0.000 2.634 370 D HA 0.242 4.882 4.640 0.001 0.000 0.236 370 D C -1.565 174.695 176.300 -0.068 0.000 1.323 370 D CA 0.017 53.998 54.000 -0.031 0.000 0.884 370 D CB 1.619 42.429 40.800 0.017 0.000 1.496 370 D HN 0.378 nan 8.370 nan 0.000 0.525 371 V N 4.422 124.303 119.914 -0.055 0.000 2.577 371 V HA 0.597 4.717 4.120 0.001 0.000 0.303 371 V C -2.076 173.953 176.094 -0.107 0.000 1.042 371 V CA -1.996 60.241 62.300 -0.105 0.000 0.872 371 V CB 2.711 34.459 31.823 -0.125 0.000 0.998 371 V HN 0.165 nan 8.190 nan 0.000 0.423 372 P HA 0.335 nan 4.420 nan 0.000 0.255 372 P C 0.519 177.697 177.300 -0.205 0.000 1.248 372 P CA 1.134 64.038 63.100 -0.326 0.000 0.807 372 P CB 0.516 32.024 31.700 -0.320 0.000 1.150 373 G N -0.466 108.243 108.800 -0.152 0.000 2.346 373 G HA2 0.074 4.034 3.960 0.001 0.000 0.294 373 G HA3 0.074 4.034 3.960 0.001 0.000 0.294 373 G C -1.513 173.247 174.900 -0.235 0.000 1.294 373 G CA -1.013 44.025 45.100 -0.104 0.000 0.962 373 G HN -0.053 nan 8.290 nan 0.000 0.508 374 F N -0.268 119.687 119.950 0.008 0.000 2.370 374 F HA 0.600 5.127 4.527 0.001 0.000 0.324 374 F C 0.996 176.778 175.800 -0.029 0.000 1.116 374 F CA -0.451 57.544 58.000 -0.009 0.000 1.123 374 F CB 1.280 40.281 39.000 0.002 0.000 1.238 374 F HN 0.423 nan 8.300 nan 0.000 0.536 375 L N 5.003 126.306 121.223 0.134 0.000 2.562 375 L HA 0.244 4.585 4.340 0.001 0.000 0.271 375 L C -2.417 174.477 176.870 0.040 0.000 1.167 375 L CA -1.319 53.546 54.840 0.042 0.000 0.917 375 L CB -0.354 41.709 42.059 0.008 0.000 1.187 375 L HN 0.270 nan 8.230 nan 0.000 0.482 376 P HA 0.505 nan 4.420 nan 0.000 0.276 376 P C -0.683 176.599 177.300 -0.031 0.000 1.230 376 P CA -0.242 62.856 63.100 -0.004 0.000 0.776 376 P CB 1.138 32.831 31.700 -0.010 0.000 0.888 377 G N 0.836 109.605 108.800 -0.051 0.000 2.433 377 G HA2 0.156 4.116 3.960 0.001 0.000 0.306 377 G HA3 0.156 4.116 3.960 0.001 0.000 0.306 377 G C 0.327 175.148 174.900 -0.132 0.000 1.627 377 G CA -0.626 44.425 45.100 -0.081 0.000 0.893 377 G HN 0.231 nan 8.290 nan 0.000 0.648 378 V N 1.611 121.409 119.914 -0.192 0.000 2.392 378 V HA -0.189 3.931 4.120 0.001 0.000 0.249 378 V C 2.745 178.603 176.094 -0.393 0.000 1.059 378 V CA 2.192 64.272 62.300 -0.366 0.000 1.051 378 V CB -0.179 31.383 31.823 -0.434 0.000 0.658 378 V HN 0.698 nan 8.190 nan 0.000 0.455 379 Q N -0.806 118.868 119.800 -0.210 0.000 2.297 379 Q HA -0.132 4.208 4.340 0.001 0.000 0.204 379 Q C 2.275 178.244 176.000 -0.052 0.000 0.962 379 Q CA 0.968 56.714 55.803 -0.095 0.000 0.879 379 Q CB -0.284 28.423 28.738 -0.052 0.000 0.947 379 Q HN 0.620 nan 8.270 nan 0.000 0.462 380 Q N 0.435 120.192 119.800 -0.071 0.000 2.079 380 Q HA -0.114 4.226 4.340 0.001 0.000 0.200 380 Q C 1.832 177.815 176.000 -0.029 0.000 0.974 380 Q CA 0.909 56.683 55.803 -0.049 0.000 0.840 380 Q CB 0.148 28.865 28.738 -0.035 0.000 0.898 380 Q HN 0.392 nan 8.270 nan 0.000 0.430 381 E N -0.025 120.151 120.200 -0.041 0.000 2.047 381 E HA -0.139 4.211 4.350 0.001 0.000 0.191 381 E C 1.941 178.642 176.600 0.168 0.000 0.987 381 E CA 0.934 57.345 56.400 0.018 0.000 0.799 381 E CB -0.340 29.346 29.700 -0.024 0.000 0.752 381 E HN 0.391 nan 8.360 nan 0.000 0.449 382 Y N 0.549 120.833 120.300 -0.026 0.000 2.497 382 Y HA 0.042 4.592 4.550 0.001 0.000 0.292 382 Y C 2.345 178.234 175.900 -0.019 0.000 1.137 382 Y CA 0.786 58.874 58.100 -0.020 0.000 1.285 382 Y CB -0.889 37.560 38.460 -0.019 0.000 0.991 382 Y HN 0.051 nan 8.280 nan 0.000 0.556 383 G N -1.116 107.758 108.800 0.122 0.000 2.920 383 G HA2 0.266 4.227 3.960 0.001 0.000 0.208 383 G HA3 0.266 4.227 3.960 0.001 0.000 0.208 383 G C 1.160 176.084 174.900 0.040 0.000 1.159 383 G CA 0.358 45.477 45.100 0.033 0.000 0.784 383 G HN 0.501 nan 8.290 nan 0.000 0.535 384 G N 0.117 108.968 108.800 0.085 0.000 2.248 384 G HA2 -0.237 3.724 3.960 0.001 0.000 0.252 384 G HA3 -0.237 3.724 3.960 0.001 0.000 0.252 384 G C 0.861 175.873 174.900 0.187 0.000 1.085 384 G CA 0.226 45.414 45.100 0.147 0.000 0.845 384 G HN 0.536 nan 8.290 nan 0.000 0.494 385 I N -0.004 120.587 120.570 0.035 0.000 2.454 385 I HA -0.033 4.138 4.170 0.001 0.000 0.254 385 I C 2.395 178.467 176.117 -0.076 0.000 1.156 385 I CA 1.402 62.685 61.300 -0.029 0.000 1.433 385 I CB -0.206 37.731 38.000 -0.106 0.000 1.082 385 I HN 0.531 nan 8.210 nan 0.000 0.432 386 I N 1.143 121.673 120.570 -0.066 0.000 2.142 386 I HA -0.323 3.847 4.170 0.001 0.000 0.240 386 I C 2.661 178.728 176.117 -0.083 0.000 1.078 386 I CA 1.957 63.198 61.300 -0.099 0.000 1.343 386 I CB -0.544 37.416 38.000 -0.065 0.000 1.046 386 I HN 0.309 nan 8.210 nan 0.000 0.405 387 R N -0.025 120.440 120.500 -0.059 0.000 2.153 387 R HA -0.098 4.242 4.340 0.001 0.000 0.218 387 R C 1.921 178.093 176.300 -0.212 0.000 1.072 387 R CA 1.231 57.242 56.100 -0.148 0.000 0.990 387 R CB -0.652 29.534 30.300 -0.191 0.000 0.889 387 R HN 0.400 nan 8.270 nan 0.000 0.452 388 H N 0.762 119.766 119.070 -0.110 0.000 2.372 388 H HA 0.119 4.676 4.556 0.001 0.000 0.301 388 H C 2.295 177.592 175.328 -0.052 0.000 1.065 388 H CA 1.818 57.816 56.048 -0.082 0.000 1.364 388 H CB -0.271 29.471 29.762 -0.034 0.000 1.406 388 H HN 0.424 nan 8.280 nan 0.000 0.521 389 G N 0.226 109.059 108.800 0.054 0.000 2.432 389 G HA2 -0.244 3.717 3.960 0.001 0.000 0.219 389 G HA3 -0.244 3.717 3.960 0.001 0.000 0.219 389 G C 1.860 176.790 174.900 0.050 0.000 1.135 389 G CA 0.753 45.879 45.100 0.044 0.000 0.767 389 G HN 0.508 nan 8.290 nan 0.000 0.550 390 A N 0.817 123.620 122.820 -0.029 0.000 2.070 390 A HA -0.008 4.313 4.320 0.001 0.000 0.220 390 A C 2.260 179.851 177.584 0.013 0.000 1.159 390 A CA 1.832 53.861 52.037 -0.012 0.000 0.656 390 A CB -0.303 18.658 19.000 -0.066 0.000 0.800 390 A HN 0.421 nan 8.150 nan 0.000 0.453 391 K N -0.826 119.532 120.400 -0.070 0.000 2.097 391 K HA -0.084 4.237 4.320 0.001 0.000 0.206 391 K C 1.962 178.697 176.600 0.225 0.000 1.049 391 K CA 1.655 57.895 56.287 -0.078 0.000 0.933 391 K CB -0.279 32.122 32.500 -0.165 0.000 0.717 391 K HN 0.530 nan 8.250 nan 0.000 0.442 392 M N 0.535 120.259 119.600 0.207 0.000 2.132 392 M HA -0.127 4.354 4.480 0.001 0.000 0.263 392 M C 2.094 178.573 176.300 0.299 0.000 1.065 392 M CA 1.467 56.916 55.300 0.250 0.000 1.122 392 M CB -0.259 32.511 32.600 0.283 0.000 1.365 392 M HN 0.094 nan 8.290 nan 0.000 0.411 393 L N -1.463 119.912 121.223 0.254 0.000 2.046 393 L HA -0.229 4.111 4.340 0.001 0.000 0.208 393 L C 2.539 179.540 176.870 0.219 0.000 1.077 393 L CA 1.461 56.429 54.840 0.215 0.000 0.747 393 L CB -0.807 41.341 42.059 0.147 0.000 0.896 393 L HN 0.246 nan 8.230 nan 0.000 0.432 394 Y N 0.538 120.917 120.300 0.131 0.000 2.163 394 Y HA -0.263 4.288 4.550 0.001 0.000 0.288 394 Y C 2.552 178.560 175.900 0.180 0.000 1.136 394 Y CA 1.458 59.652 58.100 0.157 0.000 1.147 394 Y CB -0.182 38.389 38.460 0.185 0.000 0.987 394 Y HN 0.095 nan 8.280 nan 0.000 0.509 395 A N -0.325 122.767 122.820 0.453 0.000 1.883 395 A HA -0.254 4.066 4.320 0.001 0.000 0.217 395 A C 2.080 179.670 177.584 0.009 0.000 1.186 395 A CA 2.000 54.157 52.037 0.200 0.000 0.624 395 A CB -1.573 17.481 19.000 0.091 0.000 0.822 395 A HN 0.703 nan 8.150 nan 0.000 0.444 396 Y N 0.264 120.607 120.300 0.072 0.000 2.200 396 Y HA -0.159 4.391 4.550 0.001 0.000 0.290 396 Y C 3.062 178.933 175.900 -0.049 0.000 1.137 396 Y CA 1.286 59.390 58.100 0.007 0.000 1.163 396 Y CB -0.059 38.405 38.460 0.006 0.000 0.988 396 Y HN 0.296 nan 8.280 nan 0.000 0.518 397 S N -0.393 115.358 115.700 0.085 0.000 2.399 397 S HA -0.207 4.263 4.470 0.001 0.000 0.231 397 S C 1.766 176.298 174.600 -0.113 0.000 1.022 397 S CA 1.518 59.698 58.200 -0.034 0.000 0.983 397 S CB -0.186 62.969 63.200 -0.075 0.000 0.803 397 S HN 0.410 nan 8.310 nan 0.000 0.480 398 E N 1.482 121.568 120.200 -0.189 0.000 2.230 398 E HA 0.257 4.608 4.350 0.001 0.000 0.192 398 E C 0.650 177.189 176.600 -0.102 0.000 0.987 398 E CA 0.323 56.594 56.400 -0.215 0.000 0.841 398 E CB -0.105 29.391 29.700 -0.341 0.000 0.783 398 E HN 0.425 nan 8.360 nan 0.000 0.481 399 A N 0.199 122.985 122.820 -0.056 0.000 2.511 399 A HA 0.189 4.509 4.320 0.001 0.000 0.242 399 A C 0.912 178.483 177.584 -0.022 0.000 1.069 399 A CA 0.685 52.701 52.037 -0.034 0.000 0.763 399 A CB 0.152 19.153 19.000 0.002 0.000 1.001 399 A HN 0.364 nan 8.150 nan 0.000 0.498 400 T N -0.533 114.005 114.554 -0.028 0.000 3.040 400 T HA 0.322 4.673 4.350 0.001 0.000 0.266 400 T C 0.532 175.233 174.700 0.003 0.000 1.005 400 T CA 0.460 62.551 62.100 -0.015 0.000 0.906 400 T CB -1.207 67.648 68.868 -0.021 0.000 1.082 400 T HN 1.066 nan 8.240 nan 0.000 0.531 401 V N -0.627 119.290 119.914 0.005 0.000 3.319 401 V HA 0.468 4.589 4.120 0.001 0.000 0.303 401 V C -2.737 173.379 176.094 0.038 0.000 1.094 401 V CA -2.460 59.858 62.300 0.030 0.000 1.106 401 V CB -0.310 31.532 31.823 0.031 0.000 1.099 401 V HN -0.030 nan 8.190 nan 0.000 0.476 402 P HA 0.268 nan 4.420 nan 0.000 0.268 402 P C -0.903 176.403 177.300 0.011 0.000 1.205 402 P CA 0.191 63.309 63.100 0.031 0.000 0.771 402 P CB 0.208 31.980 31.700 0.121 0.000 0.858 403 K N 3.347 123.708 120.400 -0.065 0.000 2.502 403 K HA 0.486 4.807 4.320 0.001 0.000 0.254 403 K C -0.877 175.667 176.600 -0.094 0.000 0.947 403 K CA -0.538 55.731 56.287 -0.030 0.000 0.834 403 K CB 1.414 33.902 32.500 -0.020 0.000 1.112 403 K HN 0.312 nan 8.250 nan 0.000 0.427 404 I N 2.534 123.089 120.570 -0.025 0.000 2.406 404 I HA 0.330 4.501 4.170 0.001 0.000 0.290 404 I C -0.124 175.991 176.117 -0.004 0.000 0.999 404 I CA -0.566 60.730 61.300 -0.006 0.000 1.124 404 I CB 1.595 39.652 38.000 0.096 0.000 1.289 404 I HN 0.492 nan 8.210 nan 0.000 0.441 405 T N 5.481 120.012 114.554 -0.039 0.000 2.824 405 T HA 0.620 4.971 4.350 0.001 0.000 0.282 405 T C -0.309 174.404 174.700 0.023 0.000 0.993 405 T CA -0.479 61.594 62.100 -0.045 0.000 0.967 405 T CB 2.349 71.141 68.868 -0.126 0.000 0.960 405 T HN 0.236 nan 8.240 nan 0.000 0.441 406 V N 3.653 123.579 119.914 0.020 0.000 2.407 406 V HA 0.381 4.501 4.120 0.001 0.000 0.291 406 V C -0.157 175.876 176.094 -0.102 0.000 1.018 406 V CA -0.853 61.463 62.300 0.027 0.000 0.842 406 V CB 1.790 33.623 31.823 0.017 0.000 0.996 406 V HN 0.733 nan 8.190 nan 0.000 0.426 407 V N 6.748 126.623 119.914 -0.065 0.000 2.368 407 V HA 0.247 4.368 4.120 0.001 0.000 0.266 407 V C 1.063 177.019 176.094 -0.231 0.000 1.045 407 V CA -0.029 62.217 62.300 -0.091 0.000 0.899 407 V CB 0.978 32.802 31.823 0.001 0.000 1.006 407 V HN 0.759 nan 8.190 nan 0.000 0.470 408 L N 3.363 124.357 121.223 -0.381 0.000 2.068 408 L HA 0.138 4.478 4.340 0.001 0.000 0.204 408 L C 1.937 178.727 176.870 -0.133 0.000 1.076 408 L CA 1.315 55.796 54.840 -0.599 0.000 0.753 408 L CB -0.140 41.514 42.059 -0.674 0.000 0.910 408 L HN 0.654 nan 8.230 nan 0.000 0.439 409 R N -0.931 119.537 120.500 -0.052 0.000 2.899 409 R HA 0.247 4.587 4.340 0.001 0.000 0.095 409 R C -0.477 175.855 176.300 0.054 0.000 0.792 409 R CA -0.614 55.510 56.100 0.039 0.000 0.613 409 R CB 0.555 30.899 30.300 0.074 0.000 0.531 409 R HN -0.162 nan 8.270 nan 0.000 0.341 410 K N 0.667 121.105 120.400 0.064 0.000 2.401 410 K HA 0.350 4.670 4.320 0.001 0.000 0.278 410 K C -1.036 175.636 176.600 0.121 0.000 1.018 410 K CA 0.576 56.933 56.287 0.117 0.000 0.981 410 K CB 1.376 33.864 32.500 -0.019 0.000 0.933 410 K HN 0.464 nan 8.250 nan 0.000 0.477 411 A N 3.940 126.888 122.820 0.214 0.000 3.307 411 A HA 0.245 4.565 4.320 0.001 0.000 0.289 411 A C -1.667 175.972 177.584 0.092 0.000 1.138 411 A CA -0.651 51.442 52.037 0.093 0.000 0.860 411 A CB 0.149 19.058 19.000 -0.152 0.000 1.318 411 A HN 0.545 nan 8.150 nan 0.000 0.551 412 Y N 0.820 121.098 120.300 -0.036 0.000 2.320 412 Y HA 0.523 5.074 4.550 0.001 0.000 0.334 412 Y C 1.457 177.394 175.900 0.062 0.000 1.055 412 Y CA 0.559 58.654 58.100 -0.009 0.000 1.143 412 Y CB 1.282 39.736 38.460 -0.010 0.000 1.193 412 Y HN 1.137 nan 8.280 nan 0.000 0.477 413 G N 2.352 111.243 108.800 0.150 0.000 2.602 413 G HA2 -0.345 3.615 3.960 0.001 0.000 0.317 413 G HA3 -0.345 3.615 3.960 0.001 0.000 0.317 413 G C 1.406 176.450 174.900 0.241 0.000 1.327 413 G CA 0.350 45.555 45.100 0.176 0.000 0.971 413 G HN 1.170 nan 8.290 nan 0.000 0.540 414 G N -0.369 108.588 108.800 0.262 0.000 2.479 414 G HA2 0.026 3.986 3.960 0.001 0.000 0.220 414 G HA3 0.026 3.986 3.960 0.001 0.000 0.220 414 G C 2.219 177.337 174.900 0.363 0.000 1.115 414 G CA 2.413 47.701 45.100 0.313 0.000 0.757 414 G HN 1.929 nan 8.290 nan 0.000 0.560 415 S N -0.509 115.323 115.700 0.220 0.000 2.428 415 S HA -0.122 4.349 4.470 0.001 0.000 0.230 415 S C 2.082 176.681 174.600 -0.002 0.000 1.014 415 S CA 1.136 59.217 58.200 -0.198 0.000 0.957 415 S CB -0.550 62.284 63.200 -0.610 0.000 0.784 415 S HN 0.630 nan 8.310 nan 0.000 0.499 416 Y N 2.079 122.366 120.300 -0.022 0.000 2.263 416 Y HA 0.179 4.729 4.550 0.001 0.000 0.292 416 Y C 1.875 177.757 175.900 -0.029 0.000 1.130 416 Y CA 0.960 59.042 58.100 -0.029 0.000 1.179 416 Y CB -0.251 38.203 38.460 -0.010 0.000 0.998 416 Y HN 0.176 nan 8.280 nan 0.000 0.532 417 L N 0.421 121.539 121.223 -0.176 0.000 2.093 417 L HA -0.129 4.211 4.340 0.001 0.000 0.208 417 L C 2.835 179.615 176.870 -0.150 0.000 1.085 417 L CA 1.008 55.677 54.840 -0.286 0.000 0.755 417 L CB -0.930 41.081 42.059 -0.080 0.000 0.904 417 L HN 0.379 nan 8.230 nan 0.000 0.435 418 A N -0.562 122.266 122.820 0.014 0.000 2.070 418 A HA -0.134 4.186 4.320 0.001 0.000 0.220 418 A C 1.980 179.597 177.584 0.055 0.000 1.159 418 A CA 1.178 53.288 52.037 0.121 0.000 0.656 418 A CB -0.257 18.890 19.000 0.245 0.000 0.800 418 A HN 0.301 nan 8.150 nan 0.000 0.453 419 M N -1.498 118.037 119.600 -0.109 0.000 2.571 419 M HA 0.160 4.640 4.480 0.001 0.000 0.235 419 M C 0.507 176.499 176.300 -0.513 0.000 1.216 419 M CA -0.254 54.927 55.300 -0.198 0.000 0.979 419 M CB -1.361 31.177 32.600 -0.103 0.000 1.616 419 M HN 0.547 nan 8.290 nan 0.000 0.469 420 C N 3.495 122.416 119.300 -0.632 0.000 2.910 420 C HA -0.184 4.276 4.460 0.001 0.000 0.282 420 C C 0.701 175.393 174.990 -0.496 0.000 1.027 420 C CA 0.253 58.844 59.018 -0.712 0.000 2.632 420 C CB -2.330 24.613 27.740 -1.330 0.000 1.573 420 C HN 0.923 nan 8.230 nan 0.000 0.443 421 N N 1.774 120.176 118.700 -0.496 0.000 2.431 421 N HA 0.418 5.159 4.740 0.001 0.000 0.289 421 N C 1.173 176.517 175.510 -0.276 0.000 1.277 421 N CA -0.446 52.334 53.050 -0.451 0.000 0.972 421 N CB 0.266 38.275 38.487 -0.796 0.000 1.143 421 N HN 0.625 nan 8.380 nan 0.000 0.578 422 R N -0.504 119.886 120.500 -0.184 0.000 2.096 422 R HA -0.140 4.200 4.340 0.001 0.000 0.235 422 R C 0.591 176.820 176.300 -0.118 0.000 1.127 422 R CA 1.736 57.754 56.100 -0.137 0.000 0.968 422 R CB -0.389 29.857 30.300 -0.091 0.000 0.861 422 R HN 0.645 nan 8.270 nan 0.000 0.440 423 D N 0.331 120.662 120.400 -0.116 0.000 2.263 423 D HA -0.145 4.496 4.640 0.001 0.000 0.208 423 D C 1.317 177.562 176.300 -0.091 0.000 0.971 423 D CA 0.782 54.731 54.000 -0.086 0.000 0.867 423 D CB 0.145 40.902 40.800 -0.072 0.000 0.929 423 D HN 0.275 nan 8.370 nan 0.000 0.492 424 L N -0.305 120.842 121.223 -0.128 0.000 2.611 424 L HA 0.161 4.501 4.340 0.001 0.000 0.229 424 L C 1.276 178.095 176.870 -0.085 0.000 1.137 424 L CA 0.452 55.233 54.840 -0.098 0.000 0.901 424 L CB -0.095 41.891 42.059 -0.121 0.000 1.098 424 L HN 0.106 nan 8.230 nan 0.000 0.456 425 G N 0.190 108.930 108.800 -0.099 0.000 2.144 425 G HA2 -0.224 3.736 3.960 0.001 0.000 0.218 425 G HA3 -0.224 3.736 3.960 0.001 0.000 0.218 425 G C 0.533 175.357 174.900 -0.128 0.000 0.988 425 G CA 0.051 45.096 45.100 -0.092 0.000 0.659 425 G HN 0.511 nan 8.290 nan 0.000 0.522 426 A N 0.269 122.988 122.820 -0.168 0.000 2.520 426 A HA 0.485 4.805 4.320 0.001 0.000 0.245 426 A C 1.252 178.695 177.584 -0.234 0.000 1.072 426 A CA 0.906 52.822 52.037 -0.201 0.000 0.761 426 A CB 0.270 19.138 19.000 -0.220 0.000 1.004 426 A HN 0.280 nan 8.150 nan 0.000 0.499 427 D N 1.023 121.221 120.400 -0.336 0.000 2.234 427 D HA 0.200 4.840 4.640 0.001 0.000 0.205 427 D C 0.625 176.653 176.300 -0.452 0.000 0.962 427 D CA 1.735 55.396 54.000 -0.565 0.000 0.855 427 D CB 0.224 40.305 40.800 -1.197 0.000 0.951 427 D HN 0.693 nan 8.370 nan 0.000 0.500 428 A N 0.433 123.053 122.820 -0.335 0.000 2.488 428 A HA 0.534 4.855 4.320 0.001 0.000 0.298 428 A C -1.145 176.197 177.584 -0.403 0.000 1.044 428 A CA -0.551 51.294 52.037 -0.321 0.000 0.693 428 A CB 1.948 20.859 19.000 -0.148 0.000 1.272 428 A HN -0.096 nan 8.150 nan 0.000 0.402 429 V N 2.277 121.858 119.914 -0.556 0.000 2.577 429 V HA 0.544 4.664 4.120 0.001 0.000 0.303 429 V C -1.384 174.365 176.094 -0.575 0.000 1.042 429 V CA -0.468 61.588 62.300 -0.407 0.000 0.872 429 V CB 1.270 32.976 31.823 -0.194 0.000 0.998 429 V HN 0.809 nan 8.190 nan 0.000 0.423 430 Y N 1.995 122.318 120.300 0.038 0.000 2.446 430 Y HA 0.803 5.354 4.550 0.001 0.000 0.345 430 Y C 0.346 176.291 175.900 0.075 0.000 0.984 430 Y CA -0.801 57.338 58.100 0.065 0.000 1.058 430 Y CB 2.263 40.783 38.460 0.100 0.000 1.220 430 Y HN 0.734 nan 8.280 nan 0.000 0.455 431 A N 2.409 125.363 122.820 0.222 0.000 2.318 431 A HA 0.593 4.913 4.320 0.001 0.000 0.324 431 A C -1.437 176.313 177.584 0.277 0.000 1.170 431 A CA -0.639 51.496 52.037 0.163 0.000 0.810 431 A CB 0.464 19.485 19.000 0.034 0.000 1.198 431 A HN 0.720 nan 8.150 nan 0.000 0.484 432 W N 2.291 123.584 121.300 -0.011 0.000 2.129 432 W HA 0.411 5.071 4.660 0.001 0.000 0.349 432 W C -1.875 174.605 176.519 -0.066 0.000 1.279 432 W CA -1.427 55.900 57.345 -0.030 0.000 1.306 432 W CB 0.027 29.472 29.460 -0.025 0.000 1.140 432 W HN 0.510 nan 8.180 nan 0.000 0.613 433 P HA -0.142 nan 4.420 nan 0.000 0.225 433 P C 1.036 178.377 177.300 0.069 0.000 1.148 433 P CA 1.819 64.929 63.100 0.017 0.000 0.779 433 P CB 0.120 31.821 31.700 0.001 0.000 0.780 434 S N -2.169 113.618 115.700 0.146 0.000 2.556 434 S HA 0.368 4.838 4.470 0.001 0.000 0.216 434 S C 0.993 175.661 174.600 0.112 0.000 0.970 434 S CA -0.428 57.851 58.200 0.132 0.000 0.912 434 S CB -0.582 62.717 63.200 0.164 0.000 0.790 434 S HN 0.067 nan 8.310 nan 0.000 0.504 435 A N 1.773 124.653 122.820 0.100 0.000 2.511 435 A HA 0.392 4.712 4.320 0.001 0.000 0.242 435 A C 0.335 177.932 177.584 0.022 0.000 1.069 435 A CA -0.156 51.910 52.037 0.047 0.000 0.763 435 A CB 0.021 19.035 19.000 0.024 0.000 1.001 435 A HN 0.541 nan 8.150 nan 0.000 0.498 436 E N 2.998 123.212 120.200 0.023 0.000 3.108 436 E HA 0.392 4.742 4.350 0.001 0.000 0.228 436 E C -1.166 175.383 176.600 -0.085 0.000 1.176 436 E CA -0.253 56.161 56.400 0.023 0.000 0.881 436 E CB 0.204 29.993 29.700 0.149 0.000 1.354 436 E HN 0.674 nan 8.360 nan 0.000 0.400 437 I N 2.565 123.002 120.570 -0.222 0.000 2.471 437 I HA 0.440 4.610 4.170 0.001 0.000 0.286 437 I C 0.167 176.029 176.117 -0.426 0.000 1.079 437 I CA 0.081 61.097 61.300 -0.473 0.000 1.398 437 I CB 1.214 38.843 38.000 -0.618 0.000 1.403 437 I HN 0.453 nan 8.210 nan 0.000 0.530 438 A N 4.847 127.347 122.820 -0.534 0.000 2.605 438 A HA 0.410 4.731 4.320 0.001 0.000 0.294 438 A C -0.075 177.265 177.584 -0.406 0.000 1.062 438 A CA -0.472 51.275 52.037 -0.482 0.000 0.682 438 A CB 1.472 20.079 19.000 -0.655 0.000 1.278 438 A HN 0.434 nan 8.150 nan 0.000 0.410 439 V N 1.347 121.113 119.914 -0.246 0.000 3.129 439 V HA 0.400 4.520 4.120 0.001 0.000 0.259 439 V C 0.495 176.534 176.094 -0.092 0.000 1.116 439 V CA 2.239 64.459 62.300 -0.134 0.000 1.127 439 V CB -0.652 31.096 31.823 -0.124 0.000 0.742 439 V HN 0.841 nan 8.190 nan 0.000 0.474 440 M N -1.540 117.982 119.600 -0.131 0.000 2.660 440 M HA 0.458 4.939 4.480 0.001 0.000 0.281 440 M C -0.180 176.113 176.300 -0.012 0.000 1.131 440 M CA -0.040 55.238 55.300 -0.037 0.000 0.858 440 M CB 1.309 33.897 32.600 -0.020 0.000 1.732 440 M HN 0.128 nan 8.290 nan 0.000 0.516 441 G N 1.058 109.961 108.800 0.172 0.000 2.554 441 G HA2 0.413 4.374 3.960 0.001 0.000 0.238 441 G HA3 0.413 4.374 3.960 0.001 0.000 0.238 441 G C 0.750 175.716 174.900 0.110 0.000 1.259 441 G CA 0.245 45.490 45.100 0.242 0.000 0.843 441 G HN 1.032 nan 8.290 nan 0.000 0.582 442 A N 0.717 123.653 122.820 0.193 0.000 1.902 442 A HA -0.087 4.233 4.320 0.001 0.000 0.217 442 A C 2.087 179.682 177.584 0.019 0.000 1.181 442 A CA 2.056 54.215 52.037 0.203 0.000 0.623 442 A CB -0.495 18.679 19.000 0.290 0.000 0.818 442 A HN 0.840 nan 8.150 nan 0.000 0.443 443 E N -0.460 119.767 120.200 0.045 0.000 2.031 443 E HA -0.124 4.227 4.350 0.001 0.000 0.193 443 E C 2.090 178.679 176.600 -0.019 0.000 0.994 443 E CA 1.319 57.729 56.400 0.017 0.000 0.800 443 E CB -0.565 29.155 29.700 0.032 0.000 0.752 443 E HN 0.442 nan 8.360 nan 0.000 0.447 444 G N 0.507 109.294 108.800 -0.020 0.000 2.418 444 G HA2 -0.261 3.699 3.960 0.001 0.000 0.217 444 G HA3 -0.261 3.699 3.960 0.001 0.000 0.217 444 G C 1.668 176.505 174.900 -0.106 0.000 1.158 444 G CA 1.052 46.130 45.100 -0.037 0.000 0.771 444 G HN 0.449 nan 8.290 nan 0.000 0.545 445 A N 1.236 123.910 122.820 -0.244 0.000 1.877 445 A HA 0.270 4.591 4.320 0.001 0.000 0.216 445 A C 2.839 180.260 177.584 -0.272 0.000 1.186 445 A CA 2.326 54.088 52.037 -0.458 0.000 0.620 445 A CB -0.885 17.327 19.000 -1.313 0.000 0.822 445 A HN 0.805 nan 8.150 nan 0.000 0.443 446 A N 0.175 122.897 122.820 -0.164 0.000 1.902 446 A HA -0.203 4.118 4.320 0.001 0.000 0.217 446 A C 1.922 179.610 177.584 0.174 0.000 1.181 446 A CA 1.829 53.945 52.037 0.131 0.000 0.623 446 A CB -0.672 18.363 19.000 0.058 0.000 0.818 446 A HN 0.542 nan 8.150 nan 0.000 0.443 447 N N 0.137 118.870 118.700 0.054 0.000 2.104 447 N HA -0.129 4.612 4.740 0.001 0.000 0.190 447 N C 1.706 177.247 175.510 0.052 0.000 1.024 447 N CA 1.699 54.781 53.050 0.054 0.000 0.853 447 N CB -0.527 37.971 38.487 0.018 0.000 1.008 447 N HN 0.298 nan 8.380 nan 0.000 0.424 448 V N 1.589 121.511 119.914 0.012 0.000 2.273 448 V HA -0.091 4.030 4.120 0.001 0.000 0.242 448 V C 2.326 178.403 176.094 -0.029 0.000 1.035 448 V CA 0.984 63.277 62.300 -0.012 0.000 1.013 448 V CB -0.396 31.403 31.823 -0.039 0.000 0.652 448 V HN 0.176 nan 8.190 nan 0.000 0.452 449 I N -0.490 120.048 120.570 -0.053 0.000 2.151 449 I HA -0.264 3.906 4.170 0.001 0.000 0.243 449 I C 1.617 177.508 176.117 -0.375 0.000 1.080 449 I CA 2.009 63.175 61.300 -0.224 0.000 1.339 449 I CB -0.273 37.556 38.000 -0.284 0.000 1.039 449 I HN 0.274 nan 8.210 nan 0.000 0.409 450 F N 0.186 120.139 119.950 0.004 0.000 2.684 450 F HA 0.222 4.749 4.527 0.001 0.000 0.298 450 F C 1.840 177.642 175.800 0.003 0.000 1.120 450 F CA -0.413 57.593 58.000 0.010 0.000 1.332 450 F CB -0.390 38.620 39.000 0.017 0.000 0.986 450 F HN -0.132 nan 8.300 nan 0.000 0.524 451 R N 1.379 121.940 120.500 0.102 0.000 2.143 451 R HA -0.258 4.083 4.340 0.001 0.000 0.239 451 R C 1.901 178.238 176.300 0.063 0.000 1.126 451 R CA 2.148 58.287 56.100 0.065 0.000 0.927 451 R CB -0.181 30.133 30.300 0.024 0.000 0.860 451 R HN -0.008 nan 8.270 nan 0.000 0.433 452 K N 0.327 120.753 120.400 0.044 0.000 2.009 452 K HA -0.117 4.203 4.320 0.001 0.000 0.210 452 K C 2.124 178.762 176.600 0.064 0.000 1.049 452 K CA 2.065 58.376 56.287 0.040 0.000 0.929 452 K CB -0.389 32.123 32.500 0.020 0.000 0.714 452 K HN 0.269 nan 8.250 nan 0.000 0.440 453 E N 0.441 120.702 120.200 0.102 0.000 2.049 453 E HA -0.175 4.175 4.350 0.001 0.000 0.198 453 E C 1.988 178.646 176.600 0.097 0.000 1.007 453 E CA 1.397 57.873 56.400 0.127 0.000 0.809 453 E CB -0.341 29.506 29.700 0.245 0.000 0.749 453 E HN 0.270 nan 8.360 nan 0.000 0.450 454 I N 0.590 121.225 120.570 0.108 0.000 2.142 454 I HA -0.310 3.861 4.170 0.001 0.000 0.240 454 I C 2.488 178.630 176.117 0.043 0.000 1.078 454 I CA 1.317 62.656 61.300 0.065 0.000 1.343 454 I CB -0.356 37.684 38.000 0.067 0.000 1.046 454 I HN 0.082 nan 8.210 nan 0.000 0.405 455 K N 1.459 121.885 120.400 0.043 0.000 2.020 455 K HA -0.238 4.082 4.320 0.001 0.000 0.212 455 K C 2.030 178.645 176.600 0.025 0.000 1.050 455 K CA 2.006 58.311 56.287 0.029 0.000 0.929 455 K CB -0.186 32.330 32.500 0.026 0.000 0.714 455 K HN 0.332 nan 8.250 nan 0.000 0.443 456 A N 0.564 123.401 122.820 0.028 0.000 2.206 456 A HA 0.238 4.558 4.320 0.001 0.000 0.211 456 A C 0.824 178.421 177.584 0.022 0.000 1.158 456 A CA 0.664 52.716 52.037 0.024 0.000 0.761 456 A CB -0.367 18.648 19.000 0.025 0.000 0.801 456 A HN 0.457 nan 8.150 nan 0.000 0.473 457 A N 0.137 122.972 122.820 0.025 0.000 2.445 457 A HA 0.336 4.656 4.320 0.001 0.000 0.242 457 A C 0.661 178.252 177.584 0.013 0.000 1.075 457 A CA 0.065 52.113 52.037 0.020 0.000 0.777 457 A CB 0.193 19.205 19.000 0.019 0.000 1.013 457 A HN 0.294 nan 8.150 nan 0.000 0.493 458 D N -0.035 120.371 120.400 0.010 0.000 2.144 458 D HA -0.052 4.588 4.640 0.001 0.000 0.200 458 D C -0.023 176.280 176.300 0.004 0.000 0.978 458 D CA 1.797 55.801 54.000 0.006 0.000 0.833 458 D CB 0.178 40.981 40.800 0.005 0.000 0.961 458 D HN 0.626 nan 8.370 nan 0.000 0.470 459 D N -1.149 119.252 120.400 0.003 0.000 2.378 459 D HA 0.184 4.825 4.640 0.001 0.000 0.265 459 D C -2.041 174.258 176.300 -0.002 0.000 1.229 459 D CA -2.081 51.919 54.000 -0.001 0.000 0.914 459 D CB 1.608 42.406 40.800 -0.004 0.000 1.140 459 D HN -0.211 nan 8.370 nan 0.000 0.516 460 P HA -0.094 nan 4.420 nan 0.000 0.214 460 P C 0.804 178.101 177.300 -0.006 0.000 1.163 460 P CA 0.858 63.959 63.100 0.002 0.000 0.883 460 P CB 0.421 32.125 31.700 0.007 0.000 0.788 461 D N -0.484 119.913 120.400 -0.005 0.000 2.106 461 D HA -0.193 4.447 4.640 0.001 0.000 0.191 461 D C 2.024 178.314 176.300 -0.017 0.000 0.997 461 D CA 1.906 55.901 54.000 -0.009 0.000 0.834 461 D CB -1.082 39.715 40.800 -0.006 0.000 0.956 461 D HN 0.075 nan 8.370 nan 0.000 0.448 462 A N 0.588 123.398 122.820 -0.017 0.000 1.902 462 A HA -0.176 4.145 4.320 0.001 0.000 0.217 462 A C 2.201 179.761 177.584 -0.038 0.000 1.181 462 A CA 1.781 53.804 52.037 -0.024 0.000 0.623 462 A CB -0.615 18.373 19.000 -0.019 0.000 0.818 462 A HN 0.248 nan 8.150 nan 0.000 0.443 463 M N -0.932 118.645 119.600 -0.039 0.000 2.077 463 M HA -0.148 4.332 4.480 0.001 0.000 0.261 463 M C 2.402 178.645 176.300 -0.096 0.000 1.070 463 M CA 2.081 57.343 55.300 -0.064 0.000 1.125 463 M CB -0.243 32.333 32.600 -0.039 0.000 1.339 463 M HN 0.520 nan 8.290 nan 0.000 0.409 464 R N 0.356 120.820 120.500 -0.060 0.000 2.103 464 R HA -0.210 4.131 4.340 0.001 0.000 0.234 464 R C 2.043 178.300 176.300 -0.071 0.000 1.132 464 R CA 2.351 58.416 56.100 -0.059 0.000 0.925 464 R CB -0.769 29.518 30.300 -0.020 0.000 0.842 464 R HN 0.491 nan 8.270 nan 0.000 0.430 465 A N 0.757 123.550 122.820 -0.046 0.000 1.948 465 A HA -0.286 4.035 4.320 0.001 0.000 0.220 465 A C 2.010 179.560 177.584 -0.056 0.000 1.177 465 A CA 2.098 54.113 52.037 -0.037 0.000 0.636 465 A CB -0.734 18.251 19.000 -0.024 0.000 0.815 465 A HN 0.702 nan 8.150 nan 0.000 0.449 466 E N 0.201 120.352 120.200 -0.083 0.000 2.031 466 E HA -0.207 4.143 4.350 0.001 0.000 0.193 466 E C 1.842 178.343 176.600 -0.164 0.000 0.994 466 E CA 1.858 58.194 56.400 -0.106 0.000 0.800 466 E CB -0.200 29.432 29.700 -0.113 0.000 0.752 466 E HN 0.352 nan 8.360 nan 0.000 0.447 467 K N 0.423 120.659 120.400 -0.274 0.000 2.097 467 K HA -0.045 4.275 4.320 0.001 0.000 0.206 467 K C 2.363 178.866 176.600 -0.162 0.000 1.049 467 K CA 1.327 57.341 56.287 -0.455 0.000 0.933 467 K CB -0.608 31.356 32.500 -0.893 0.000 0.717 467 K HN 0.337 nan 8.250 nan 0.000 0.442 468 I N 0.907 121.434 120.570 -0.071 0.000 2.127 468 I HA -0.306 3.865 4.170 0.001 0.000 0.241 468 I C 2.485 178.647 176.117 0.074 0.000 1.075 468 I CA 1.502 62.822 61.300 0.035 0.000 1.334 468 I CB -0.298 37.715 38.000 0.020 0.000 1.040 468 I HN 0.164 nan 8.210 nan 0.000 0.405 469 E N 1.218 121.430 120.200 0.020 0.000 2.118 469 E HA -0.289 4.061 4.350 0.001 0.000 0.195 469 E C 1.988 178.600 176.600 0.020 0.000 0.992 469 E CA 1.648 58.060 56.400 0.022 0.000 0.804 469 E CB -0.132 29.564 29.700 -0.007 0.000 0.741 469 E HN 0.426 nan 8.360 nan 0.000 0.458 470 E N -1.341 118.858 120.200 -0.002 0.000 2.051 470 E HA -0.227 4.123 4.350 0.001 0.000 0.192 470 E C 1.847 178.468 176.600 0.035 0.000 0.991 470 E CA 1.165 57.557 56.400 -0.013 0.000 0.799 470 E CB -0.294 29.372 29.700 -0.055 0.000 0.748 470 E HN 0.447 nan 8.360 nan 0.000 0.449 471 Y N 1.138 121.451 120.300 0.021 0.000 2.163 471 Y HA -0.264 4.287 4.550 0.001 0.000 0.288 471 Y C 2.483 178.438 175.900 0.093 0.000 1.136 471 Y CA 2.120 60.287 58.100 0.111 0.000 1.147 471 Y CB -0.277 38.295 38.460 0.188 0.000 0.987 471 Y HN 0.082 nan 8.280 nan 0.000 0.509 472 Q N 0.870 120.798 119.800 0.214 0.000 2.045 472 Q HA -0.240 4.100 4.340 0.001 0.000 0.206 472 Q C 1.707 177.717 176.000 0.017 0.000 0.991 472 Q CA 2.492 58.374 55.803 0.131 0.000 0.851 472 Q CB -0.565 28.244 28.738 0.118 0.000 0.911 472 Q HN 0.462 nan 8.270 nan 0.000 0.418 473 N N -0.546 118.142 118.700 -0.019 0.000 2.396 473 N HA -0.024 4.717 4.740 0.001 0.000 0.180 473 N C 1.216 176.639 175.510 -0.144 0.000 1.028 473 N CA 1.089 54.106 53.050 -0.054 0.000 0.893 473 N CB -0.265 38.193 38.487 -0.049 0.000 0.967 473 N HN 0.406 nan 8.380 nan 0.000 0.440 474 A N -0.728 121.926 122.820 -0.277 0.000 2.016 474 A HA 0.122 4.443 4.320 0.001 0.000 0.217 474 A C 1.178 178.342 177.584 -0.700 0.000 1.162 474 A CA 0.853 52.559 52.037 -0.553 0.000 0.662 474 A CB -0.057 18.465 19.000 -0.796 0.000 0.812 474 A HN 0.178 nan 8.150 nan 0.000 0.450 475 F N -1.786 117.991 119.950 -0.288 0.000 2.754 475 F HA 0.207 4.735 4.527 0.001 0.000 0.316 475 F C 0.780 176.464 175.800 -0.193 0.000 0.959 475 F CA -0.217 57.615 58.000 -0.281 0.000 1.148 475 F CB 0.091 38.803 39.000 -0.479 0.000 0.951 475 F HN 0.037 nan 8.300 nan 0.000 0.625 476 N N 0.450 119.171 118.700 0.036 0.000 2.295 476 N HA 0.086 4.826 4.740 0.001 0.000 0.221 476 N C 0.259 175.780 175.510 0.017 0.000 1.129 476 N CA 0.375 53.430 53.050 0.008 0.000 0.836 476 N CB -0.108 38.400 38.487 0.035 0.000 1.040 476 N HN 0.257 nan 8.380 nan 0.000 0.494 477 T N -3.476 111.097 114.554 0.033 0.000 2.952 477 T HA 0.431 4.781 4.350 0.001 0.000 0.286 477 T C -1.946 172.762 174.700 0.014 0.000 1.024 477 T CA -1.919 60.220 62.100 0.064 0.000 1.029 477 T CB 2.493 71.451 68.868 0.150 0.000 1.094 477 T HN -0.286 nan 8.240 nan 0.000 0.515 478 P HA -0.008 nan 4.420 nan 0.000 0.218 478 P C 0.793 177.961 177.300 -0.220 0.000 1.149 478 P CA 1.029 64.014 63.100 -0.192 0.000 0.817 478 P CB -0.218 31.277 31.700 -0.342 0.000 0.785 479 Y N -1.209 119.098 120.300 0.012 0.000 2.352 479 Y HA -0.129 4.421 4.550 0.001 0.000 0.292 479 Y C 2.276 178.175 175.900 -0.003 0.000 1.136 479 Y CA 0.627 58.730 58.100 0.006 0.000 1.227 479 Y CB -1.167 37.292 38.460 -0.003 0.000 0.991 479 Y HN -0.213 nan 8.280 nan 0.000 0.545 480 V N -0.592 119.389 119.914 0.113 0.000 2.407 480 V HA -0.211 3.910 4.120 0.001 0.000 0.245 480 V C 2.477 178.596 176.094 0.042 0.000 1.041 480 V CA 1.388 63.724 62.300 0.061 0.000 1.040 480 V CB -1.155 30.689 31.823 0.036 0.000 0.671 480 V HN 0.421 nan 8.190 nan 0.000 0.455 481 A N 0.300 123.126 122.820 0.011 0.000 1.940 481 A HA -0.144 4.176 4.320 0.001 0.000 0.219 481 A C 2.386 179.973 177.584 0.006 0.000 1.176 481 A CA 2.205 54.237 52.037 -0.008 0.000 0.631 481 A CB -0.693 18.276 19.000 -0.051 0.000 0.814 481 A HN 0.560 nan 8.150 nan 0.000 0.446 482 A N -0.321 122.501 122.820 0.003 0.000 1.929 482 A HA 0.256 4.577 4.320 0.001 0.000 0.216 482 A C 2.484 180.091 177.584 0.038 0.000 1.176 482 A CA 1.751 53.797 52.037 0.016 0.000 0.628 482 A CB -0.956 18.052 19.000 0.013 0.000 0.816 482 A HN 1.051 nan 8.150 nan 0.000 0.444 483 A N -0.276 122.576 122.820 0.053 0.000 1.940 483 A HA -0.166 4.154 4.320 0.001 0.000 0.219 483 A C 2.038 179.645 177.584 0.038 0.000 1.176 483 A CA 1.489 53.556 52.037 0.049 0.000 0.631 483 A CB -0.364 18.665 19.000 0.048 0.000 0.814 483 A HN 0.357 nan 8.150 nan 0.000 0.446 484 R N -1.322 119.201 120.500 0.038 0.000 2.310 484 R HA 0.132 4.473 4.340 0.001 0.000 0.202 484 R C 1.369 177.686 176.300 0.029 0.000 0.933 484 R CA 0.720 56.842 56.100 0.037 0.000 1.054 484 R CB -0.812 29.516 30.300 0.047 0.000 0.985 484 R HN 0.899 nan 8.270 nan 0.000 0.489 485 G N 1.035 109.849 108.800 0.024 0.000 2.159 485 G HA2 -0.343 3.617 3.960 0.001 0.000 0.256 485 G HA3 -0.343 3.617 3.960 0.001 0.000 0.256 485 G C 0.836 175.740 174.900 0.007 0.000 0.977 485 G CA 0.521 45.630 45.100 0.014 0.000 0.652 485 G HN 0.393 nan 8.290 nan 0.000 0.531 486 Q N -0.730 119.082 119.800 0.020 0.000 2.297 486 Q HA 0.227 4.568 4.340 0.001 0.000 0.204 486 Q C 1.355 177.364 176.000 0.014 0.000 0.962 486 Q CA 1.450 57.276 55.803 0.038 0.000 0.879 486 Q CB 0.234 29.020 28.738 0.080 0.000 0.947 486 Q HN 1.105 nan 8.270 nan 0.000 0.462 487 V N -3.252 116.656 119.914 -0.010 0.000 2.823 487 V HA 0.285 4.405 4.120 0.001 0.000 0.312 487 V C -0.290 175.769 176.094 -0.060 0.000 1.072 487 V CA -0.842 61.429 62.300 -0.049 0.000 0.937 487 V CB 2.028 33.837 31.823 -0.023 0.000 1.013 487 V HN -0.174 nan 8.190 nan 0.000 0.430 488 D N 1.178 121.496 120.400 -0.137 0.000 2.178 488 D HA 0.132 4.773 4.640 0.001 0.000 0.202 488 D C 0.285 176.603 176.300 0.031 0.000 0.974 488 D CA 2.080 56.029 54.000 -0.085 0.000 0.841 488 D CB 0.179 40.856 40.800 -0.205 0.000 0.953 488 D HN 0.881 nan 8.370 nan 0.000 0.478 489 D N -1.976 118.470 120.400 0.076 0.000 2.694 489 D HA 0.151 4.792 4.640 0.001 0.000 0.260 489 D C -1.625 174.750 176.300 0.127 0.000 1.250 489 D CA -0.603 53.480 54.000 0.138 0.000 0.763 489 D CB 1.440 42.386 40.800 0.243 0.000 1.311 489 D HN -0.307 nan 8.370 nan 0.000 0.420 490 V N 2.590 122.534 119.914 0.049 0.000 2.394 490 V HA 0.577 4.697 4.120 0.001 0.000 0.282 490 V C 0.416 176.526 176.094 0.027 0.000 1.031 490 V CA -0.577 61.708 62.300 -0.026 0.000 0.881 490 V CB 0.903 32.572 31.823 -0.257 0.000 0.982 490 V HN 0.490 nan 8.190 nan 0.000 0.451 491 I N 0.333 120.934 120.570 0.052 0.000 2.846 491 I HA 0.694 4.864 4.170 0.001 0.000 0.307 491 I C -0.533 175.510 176.117 -0.124 0.000 1.053 491 I CA -0.871 60.425 61.300 -0.005 0.000 1.050 491 I CB 2.104 40.113 38.000 0.015 0.000 1.239 491 I HN 0.460 nan 8.210 nan 0.000 0.439 492 D N 4.393 124.696 120.400 -0.162 0.000 2.383 492 D HA 0.254 4.894 4.640 0.001 0.000 0.252 492 D C -1.859 174.176 176.300 -0.442 0.000 1.166 492 D CA -2.161 51.687 54.000 -0.253 0.000 0.879 492 D CB 1.690 42.387 40.800 -0.171 0.000 1.164 492 D HN 0.308 nan 8.370 nan 0.000 0.462 493 P HA -0.113 nan 4.420 nan 0.000 0.218 493 P C 0.813 177.751 177.300 -0.603 0.000 1.146 493 P CA 1.478 63.757 63.100 -1.369 0.000 0.813 493 P CB 0.155 30.689 31.700 -1.943 0.000 0.778 494 A N -0.489 122.100 122.820 -0.385 0.000 2.121 494 A HA -0.153 4.168 4.320 0.001 0.000 0.218 494 A C 1.549 179.052 177.584 -0.135 0.000 1.154 494 A CA 1.547 53.460 52.037 -0.206 0.000 0.679 494 A CB -0.864 18.040 19.000 -0.162 0.000 0.795 494 A HN 0.104 nan 8.150 nan 0.000 0.458 495 D N -1.199 119.112 120.400 -0.148 0.000 2.340 495 D HA 0.047 4.688 4.640 0.001 0.000 0.217 495 D C 1.346 177.598 176.300 -0.079 0.000 1.081 495 D CA 0.580 54.517 54.000 -0.104 0.000 0.842 495 D CB -0.064 40.667 40.800 -0.114 0.000 0.934 495 D HN 0.288 nan 8.370 nan 0.000 0.511 496 T N 0.780 115.324 114.554 -0.017 0.000 2.665 496 T HA -0.230 4.120 4.350 0.001 0.000 0.268 496 T C 1.946 176.660 174.700 0.022 0.000 1.035 496 T CA 1.165 63.314 62.100 0.083 0.000 1.151 496 T CB 0.092 69.150 68.868 0.317 0.000 0.862 496 T HN 0.217 nan 8.240 nan 0.000 0.438 497 R N 0.833 121.344 120.500 0.017 0.000 2.083 497 R HA -0.085 4.256 4.340 0.001 0.000 0.237 497 R C 2.623 178.907 176.300 -0.026 0.000 1.137 497 R CA 1.628 57.728 56.100 0.001 0.000 0.951 497 R CB -0.190 30.103 30.300 -0.011 0.000 0.851 497 R HN 0.293 nan 8.270 nan 0.000 0.434 498 R N 0.353 120.825 120.500 -0.047 0.000 2.081 498 R HA -0.118 4.222 4.340 0.001 0.000 0.235 498 R C 1.933 178.183 176.300 -0.082 0.000 1.131 498 R CA 1.521 57.588 56.100 -0.055 0.000 0.960 498 R CB 0.011 30.276 30.300 -0.059 0.000 0.856 498 R HN 0.065 nan 8.270 nan 0.000 0.436 499 K N 0.648 120.948 120.400 -0.166 0.000 2.032 499 K HA -0.139 4.182 4.320 0.001 0.000 0.209 499 K C 2.107 178.602 176.600 -0.175 0.000 1.048 499 K CA 1.479 57.557 56.287 -0.348 0.000 0.927 499 K CB -0.354 31.695 32.500 -0.753 0.000 0.712 499 K HN 0.332 nan 8.250 nan 0.000 0.441 500 I N 0.833 121.368 120.570 -0.058 0.000 2.202 500 I HA -0.249 3.921 4.170 0.001 0.000 0.242 500 I C 2.459 178.624 176.117 0.081 0.000 1.091 500 I CA 1.114 62.458 61.300 0.073 0.000 1.368 500 I CB -0.394 37.650 38.000 0.074 0.000 1.058 500 I HN 0.047 nan 8.210 nan 0.000 0.410 501 A N 0.162 123.005 122.820 0.038 0.000 1.908 501 A HA -0.206 4.115 4.320 0.001 0.000 0.218 501 A C 2.486 180.109 177.584 0.065 0.000 1.181 501 A CA 2.291 54.353 52.037 0.041 0.000 0.627 501 A CB -0.759 18.247 19.000 0.009 0.000 0.818 501 A HN 0.389 nan 8.150 nan 0.000 0.445 502 S N -0.237 115.495 115.700 0.054 0.000 2.383 502 S HA -0.001 4.470 4.470 0.001 0.000 0.227 502 S C 2.283 176.963 174.600 0.133 0.000 1.026 502 S CA 1.113 59.357 58.200 0.072 0.000 0.981 502 S CB -0.422 62.806 63.200 0.048 0.000 0.818 502 S HN 0.793 nan 8.310 nan 0.000 0.472 503 A N 1.413 124.353 122.820 0.201 0.000 1.898 503 A HA 0.041 4.362 4.320 0.001 0.000 0.216 503 A C 2.103 179.889 177.584 0.337 0.000 1.181 503 A CA 1.016 53.255 52.037 0.337 0.000 0.620 503 A CB -0.681 18.556 19.000 0.395 0.000 0.819 503 A HN 0.438 nan 8.150 nan 0.000 0.442 504 L N -0.759 120.599 121.223 0.226 0.000 2.046 504 L HA -0.204 4.136 4.340 0.001 0.000 0.208 504 L C 2.682 179.660 176.870 0.179 0.000 1.077 504 L CA 1.771 56.731 54.840 0.200 0.000 0.747 504 L CB -0.448 41.694 42.059 0.137 0.000 0.896 504 L HN 0.509 nan 8.230 nan 0.000 0.432 505 E N 0.392 120.675 120.200 0.137 0.000 2.051 505 E HA -0.288 4.062 4.350 0.001 0.000 0.192 505 E C 2.049 178.686 176.600 0.062 0.000 0.991 505 E CA 1.636 58.102 56.400 0.109 0.000 0.799 505 E CB -0.209 29.542 29.700 0.086 0.000 0.748 505 E HN 0.236 nan 8.360 nan 0.000 0.449 506 M N -0.682 118.928 119.600 0.017 0.000 2.254 506 M HA -0.024 4.456 4.480 0.001 0.000 0.265 506 M C 0.921 177.052 176.300 -0.281 0.000 1.066 506 M CA 1.485 56.694 55.300 -0.150 0.000 1.123 506 M CB -0.367 32.077 32.600 -0.260 0.000 1.388 506 M HN 0.190 nan 8.290 nan 0.000 0.425 507 Y N -0.249 120.093 120.300 0.071 0.000 2.471 507 Y HA 0.405 4.956 4.550 0.001 0.000 0.286 507 Y C 2.066 178.009 175.900 0.071 0.000 1.188 507 Y CA 0.369 58.507 58.100 0.064 0.000 1.286 507 Y CB -1.033 37.465 38.460 0.063 0.000 1.072 507 Y HN 0.339 nan 8.280 nan 0.000 0.517 508 A N -0.281 122.625 122.820 0.144 0.000 2.070 508 A HA -0.165 4.156 4.320 0.001 0.000 0.220 508 A C 2.041 179.687 177.584 0.102 0.000 1.159 508 A CA 1.979 54.101 52.037 0.142 0.000 0.656 508 A CB -0.845 18.241 19.000 0.143 0.000 0.800 508 A HN 0.393 nan 8.150 nan 0.000 0.453 509 T N -2.763 111.829 114.554 0.064 0.000 3.186 509 T HA 0.242 4.592 4.350 0.001 0.000 0.257 509 T C 0.440 175.175 174.700 0.058 0.000 1.029 509 T CA -0.183 61.944 62.100 0.044 0.000 0.916 509 T CB -0.344 68.530 68.868 0.010 0.000 1.041 509 T HN 0.403 nan 8.240 nan 0.000 0.562 510 K N 1.948 122.414 120.400 0.110 0.000 2.451 510 K HA 0.121 4.442 4.320 0.001 0.000 0.280 510 K C -0.552 176.101 176.600 0.088 0.000 1.020 510 K CA -0.062 56.311 56.287 0.142 0.000 1.008 510 K CB 0.371 33.015 32.500 0.240 0.000 0.917 510 K HN 0.276 nan 8.250 nan 0.000 0.478 511 R N 3.899 124.440 120.500 0.069 0.000 2.468 511 R HA 0.112 4.452 4.340 0.001 0.000 0.302 511 R C -1.178 175.145 176.300 0.038 0.000 1.041 511 R CA -0.522 55.603 56.100 0.043 0.000 0.899 511 R CB 1.736 32.054 30.300 0.030 0.000 1.167 511 R HN 0.620 nan 8.270 nan 0.000 0.483 512 Q N 1.952 121.768 119.800 0.028 0.000 2.333 512 Q HA 0.320 4.661 4.340 0.001 0.000 0.267 512 Q C -0.663 175.339 176.000 0.003 0.000 1.012 512 Q CA -0.659 55.155 55.803 0.018 0.000 0.824 512 Q CB 1.800 30.548 28.738 0.016 0.000 1.290 512 Q HN 0.583 nan 8.270 nan 0.000 0.449 513 T N 1.453 116.008 114.554 0.000 0.000 2.909 513 T HA 0.589 4.940 4.350 0.001 0.000 0.286 513 T C -0.182 174.510 174.700 -0.014 0.000 1.002 513 T CA -0.847 61.250 62.100 -0.006 0.000 1.074 513 T CB 1.150 70.016 68.868 -0.004 0.000 0.984 513 T HN 0.477 nan 8.240 nan 0.000 0.495 514 R N 2.217 122.706 120.500 -0.018 0.000 2.686 514 R HA 0.483 4.823 4.340 0.001 0.000 0.286 514 R C -2.635 173.654 176.300 -0.020 0.000 0.969 514 R CA -1.855 54.231 56.100 -0.024 0.000 0.898 514 R CB 1.253 31.534 30.300 -0.032 0.000 1.183 514 R HN 0.591 nan 8.270 nan 0.000 0.456 515 P HA 0.008 nan 4.420 nan 0.000 0.266 515 P C -0.746 176.545 177.300 -0.016 0.000 1.193 515 P CA 0.052 63.143 63.100 -0.016 0.000 0.770 515 P CB 0.449 32.140 31.700 -0.014 0.000 0.836 516 A N 3.097 125.907 122.820 -0.016 0.000 2.477 516 A HA 0.492 4.813 4.320 0.001 0.000 0.246 516 A C 0.324 177.894 177.584 -0.024 0.000 1.078 516 A CA 0.287 52.313 52.037 -0.018 0.000 0.770 516 A CB -0.200 18.790 19.000 -0.017 0.000 1.011 516 A HN 0.675 nan 8.150 nan 0.000 0.494 517 K N 1.145 121.527 120.400 -0.031 0.000 2.660 517 K HA 0.314 4.635 4.320 0.001 0.000 0.285 517 K C -0.387 176.168 176.600 -0.076 0.000 0.997 517 K CA -0.864 55.391 56.287 -0.053 0.000 0.861 517 K CB 0.941 33.419 32.500 -0.037 0.000 1.469 517 K HN 0.324 nan 8.250 nan 0.000 0.395 518 K N 0.061 120.364 120.400 -0.161 0.000 2.026 518 K HA -0.104 4.216 4.320 0.001 0.000 0.208 518 K C -0.082 176.444 176.600 -0.122 0.000 1.048 518 K CA 2.110 58.281 56.287 -0.193 0.000 0.929 518 K CB -0.312 31.961 32.500 -0.379 0.000 0.713 518 K HN 0.826 nan 8.250 nan 0.000 0.439 519 H N -4.201 114.886 119.070 0.028 0.000 2.984 519 H HA 0.379 4.935 4.556 0.001 0.000 0.298 519 H C -0.299 175.085 175.328 0.093 0.000 1.378 519 H CA -0.687 55.391 56.048 0.049 0.000 1.241 519 H CB 0.270 30.053 29.762 0.035 0.000 1.894 519 H HN 0.072 nan 8.280 nan 0.000 0.511 520 G N -0.501 108.516 108.800 0.361 0.000 2.553 520 G HA2 0.303 4.264 3.960 0.001 0.000 0.278 520 G HA3 0.303 4.264 3.960 0.001 0.000 0.278 520 G C -0.680 174.471 174.900 0.417 0.000 1.349 520 G CA -1.111 44.229 45.100 0.400 0.000 1.037 520 G HN 0.773 nan 8.290 nan 0.000 0.508 521 N N -0.217 118.671 118.700 0.315 0.000 2.816 521 N HA 0.216 4.957 4.740 0.001 0.000 0.236 521 N C -0.935 174.455 175.510 -0.201 0.000 1.076 521 N CA -0.374 52.738 53.050 0.104 0.000 0.902 521 N CB 1.056 39.597 38.487 0.091 0.000 1.149 521 N HN 0.379 nan 8.380 nan 0.000 0.506 522 F N 2.913 122.506 119.950 -0.596 0.000 2.578 522 F HA 0.180 4.707 4.527 0.001 0.000 0.381 522 F C -1.689 173.800 175.800 -0.518 0.000 1.069 522 F CA -1.472 55.924 58.000 -1.007 0.000 1.231 522 F CB 0.545 39.159 39.000 -0.643 0.000 1.086 522 F HN 0.302 nan 8.300 nan 0.000 0.564 523 P HA 0.047 nan 4.420 nan 0.000 0.268 523 P C -0.781 176.090 177.300 -0.715 0.000 1.208 523 P CA -0.310 62.374 63.100 -0.693 0.000 0.777 523 P CB 0.518 31.857 31.700 -0.602 0.000 0.875 524 C N 0.000 119.040 119.300 -0.433 0.000 2.653 524 C HA 0.000 4.460 4.460 0.001 0.000 0.325 524 C CA 0.000 58.818 59.018 -0.333 0.000 1.963 524 C CB 0.000 27.623 27.740 -0.195 0.000 2.134 524 C HN 0.000 nan 8.230 nan 0.000 0.568