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 2j09_1_A DATA FIRST_RESID 2 DATA SEQUENCE GPLLVWHRGD LRLHDHPALL EALARGPVVG LVVLDPNNLK TTPRRRAWFL DATA SEQUENCE ENVRALREAY RARGGALWVL EGLPWEKVPE AARRLKAKAV YALTSHTPYG DATA SEQUENCE RYRDGRVREA LPVPLHLLPA PHLLPPDLPR AYRVYTPFSR LYRGAAPPLP DATA SEQUENCE PPEALPKGPE EGEIPREDPG LPLPEPGEEA ALAGLRAFLE AKLPRYAEER DATA SEQUENCE DRLDGEGGSR LSPYFALGVL SPRLAAWEAE RRGGEGARKW VAELLWRDFS DATA SEQUENCE YHLLYHFPWM AERPLDPRFQ AFPWQEDEAL FQAWYEGKTG VPLVDAAMRE DATA SEQUENCE LHATGFLSNR ARMNAAQFAV KHLLLPWKRC EEAFRHLLLD GDRAVNLQGW DATA SEQUENCE QWAGGLGVDA APYFRVFNPV LQGERHDPEG RWLKRWAPEY PSYAPKDPVV DATA SEQUENCE DLEEARRRYL RLARDLARG 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 2 G C 0.000 174.899 174.900 -0.001 0.000 0.946 2 G CA 0.000 45.097 45.100 -0.005 0.000 0.502 3 P HA 0.493 nan 4.420 nan 0.000 0.274 3 P C -0.362 176.945 177.300 0.012 0.000 1.256 3 P CA -0.456 62.638 63.100 -0.010 0.000 0.795 3 P CB 1.149 32.825 31.700 -0.040 0.000 1.038 4 L N 0.459 121.705 121.223 0.040 0.000 2.325 4 L HA 0.399 4.739 4.340 -0.001 0.000 0.279 4 L C 0.536 177.453 176.870 0.078 0.000 1.054 4 L CA -0.824 54.085 54.840 0.114 0.000 0.804 4 L CB 0.759 42.906 42.059 0.147 0.000 1.200 4 L HN 0.213 nan 8.230 nan 0.000 0.436 5 L N 3.302 124.584 121.223 0.099 0.000 2.292 5 L HA 0.401 4.741 4.340 -0.001 0.000 0.284 5 L C -0.614 176.357 176.870 0.169 0.000 1.065 5 L CA -0.590 54.281 54.840 0.052 0.000 0.806 5 L CB 1.719 43.763 42.059 -0.025 0.000 1.175 5 L HN 0.303 nan 8.230 nan 0.000 0.431 6 V N 3.432 123.428 119.914 0.138 0.000 2.328 6 V HA 0.137 4.256 4.120 -0.001 0.000 0.278 6 V C -0.693 175.525 176.094 0.206 0.000 1.021 6 V CA -0.477 61.903 62.300 0.134 0.000 0.838 6 V CB 1.143 32.977 31.823 0.017 0.000 0.999 6 V HN 0.629 nan 8.190 nan 0.000 0.447 7 W N 6.865 128.172 121.300 0.011 0.000 2.311 7 W HA 0.407 5.066 4.660 -0.001 0.000 0.317 7 W C 0.196 176.754 176.519 0.064 0.000 1.065 7 W CA -0.984 56.393 57.345 0.054 0.000 1.364 7 W CB -0.110 29.380 29.460 0.050 0.000 1.233 7 W HN 0.584 nan 8.180 nan 0.000 0.409 8 H N 6.297 125.530 119.070 0.272 0.000 2.646 8 H HA 0.224 4.779 4.556 -0.001 0.000 0.325 8 H C 0.185 175.551 175.328 0.063 0.000 1.075 8 H CA 0.309 56.444 56.048 0.145 0.000 1.421 8 H CB 1.524 31.381 29.762 0.158 0.000 1.461 8 H HN 0.354 nan 8.280 nan 0.000 0.525 9 R N 1.447 121.990 120.500 0.071 0.000 2.271 9 R HA 0.222 4.561 4.340 -0.001 0.000 0.117 9 R C 1.205 177.639 176.300 0.223 0.000 1.644 9 R CA 0.078 56.216 56.100 0.064 0.000 1.414 9 R CB -0.420 29.746 30.300 -0.225 0.000 1.196 9 R HN 0.608 nan 8.270 nan 0.000 0.447 10 G N 1.455 110.337 108.800 0.137 0.000 3.455 10 G HA2 0.183 4.142 3.960 -0.001 0.000 0.250 10 G HA3 0.183 4.142 3.960 -0.001 0.000 0.250 10 G C -1.066 173.918 174.900 0.139 0.000 1.071 10 G CA 0.090 45.303 45.100 0.188 0.000 1.812 10 G HN 0.604 nan 8.290 nan 0.000 0.643 11 D N -0.783 119.723 120.400 0.177 0.000 3.453 11 D HA 0.024 4.664 4.640 -0.001 0.000 0.312 11 D C 0.266 176.750 176.300 0.307 0.000 1.349 11 D CA -0.538 53.568 54.000 0.176 0.000 0.739 11 D CB -0.479 40.367 40.800 0.076 0.000 1.312 11 D HN 0.148 nan 8.370 nan 0.000 0.628 12 L N 1.910 123.219 121.223 0.144 0.000 2.391 12 L HA 0.379 4.718 4.340 -0.001 0.000 0.249 12 L C 0.380 177.257 176.870 0.012 0.000 1.308 12 L CA 0.044 54.892 54.840 0.014 0.000 1.209 12 L CB -0.756 41.215 42.059 -0.148 0.000 1.401 12 L HN 0.322 nan 8.230 nan 0.000 0.416 13 R N 0.302 120.861 120.500 0.097 0.000 2.733 13 R HA 0.511 4.851 4.340 -0.001 0.000 0.272 13 R C -0.423 175.948 176.300 0.117 0.000 1.029 13 R CA -1.024 55.103 56.100 0.045 0.000 0.888 13 R CB 1.156 31.358 30.300 -0.163 0.000 1.251 13 R HN 0.052 nan 8.270 nan 0.000 0.464 14 L N 0.115 121.375 121.223 0.061 0.000 2.537 14 L HA 0.198 4.537 4.340 -0.001 0.000 0.224 14 L C 0.826 177.742 176.870 0.077 0.000 1.065 14 L CA -0.367 54.498 54.840 0.042 0.000 0.860 14 L CB -0.173 41.857 42.059 -0.048 0.000 1.086 14 L HN 0.657 nan 8.230 nan 0.000 0.482 15 H N -0.145 118.965 119.070 0.066 0.000 2.707 15 H HA 0.003 4.559 4.556 -0.001 0.000 0.359 15 H C -0.407 174.964 175.328 0.073 0.000 1.113 15 H CA -0.172 55.906 56.048 0.051 0.000 1.422 15 H CB 0.678 30.459 29.762 0.032 0.000 1.443 15 H HN 0.020 nan 8.280 nan 0.000 0.591 16 D N 1.205 121.673 120.400 0.114 0.000 2.802 16 D HA -0.243 4.397 4.640 -0.001 0.000 0.229 16 D C -1.081 175.191 176.300 -0.046 0.000 1.203 16 D CA 0.850 54.869 54.000 0.031 0.000 0.712 16 D CB -1.486 39.365 40.800 0.085 0.000 0.973 16 D HN 0.712 nan 8.370 nan 0.000 0.407 17 H N 0.418 119.449 119.070 -0.064 0.000 2.854 17 H HA 0.305 4.860 4.556 -0.001 0.000 0.275 17 H C -2.052 173.235 175.328 -0.069 0.000 1.198 17 H CA -1.851 54.152 56.048 -0.074 0.000 1.489 17 H CB 1.353 31.078 29.762 -0.061 0.000 1.519 17 H HN 0.057 nan 8.280 nan 0.000 0.503 18 P HA -0.134 nan 4.420 nan 0.000 0.216 18 P C 1.283 178.637 177.300 0.091 0.000 1.150 18 P CA 1.968 65.078 63.100 0.017 0.000 0.843 18 P CB 0.331 32.013 31.700 -0.030 0.000 0.787 19 A N -0.883 122.064 122.820 0.211 0.000 1.930 19 A HA -0.150 4.169 4.320 -0.001 0.000 0.217 19 A C 2.092 179.689 177.584 0.022 0.000 1.175 19 A CA 1.278 53.421 52.037 0.176 0.000 0.627 19 A CB -1.568 17.576 19.000 0.239 0.000 0.815 19 A HN 0.160 nan 8.150 nan 0.000 0.443 20 L N -0.096 121.137 121.223 0.015 0.000 2.017 20 L HA -0.082 4.257 4.340 -0.001 0.000 0.208 20 L C 2.192 178.989 176.870 -0.123 0.000 1.073 20 L CA 1.742 56.485 54.840 -0.163 0.000 0.745 20 L CB -0.515 41.385 42.059 -0.266 0.000 0.894 20 L HN 0.389 nan 8.230 nan 0.000 0.432 21 L N -0.868 120.316 121.223 -0.066 0.000 2.109 21 L HA -0.132 4.207 4.340 -0.001 0.000 0.207 21 L C 2.540 179.322 176.870 -0.147 0.000 1.086 21 L CA 1.171 55.958 54.840 -0.089 0.000 0.760 21 L CB -0.651 41.378 42.059 -0.050 0.000 0.910 21 L HN 0.298 nan 8.230 nan 0.000 0.437 22 E N 0.836 120.937 120.200 -0.165 0.000 2.097 22 E HA -0.251 4.098 4.350 -0.001 0.000 0.196 22 E C 2.127 178.417 176.600 -0.518 0.000 1.000 22 E CA 1.809 58.057 56.400 -0.252 0.000 0.804 22 E CB -0.070 29.537 29.700 -0.156 0.000 0.740 22 E HN 0.406 nan 8.360 nan 0.000 0.454 23 A N 0.043 122.426 122.820 -0.728 0.000 1.872 23 A HA -0.078 4.241 4.320 -0.001 0.000 0.214 23 A C 2.307 179.690 177.584 -0.335 0.000 1.187 23 A CA 1.211 52.771 52.037 -0.795 0.000 0.614 23 A CB -0.695 17.938 19.000 -0.612 0.000 0.826 23 A HN 0.324 nan 8.150 nan 0.000 0.442 24 L N -0.591 120.498 121.223 -0.223 0.000 2.083 24 L HA -0.193 4.146 4.340 -0.001 0.000 0.209 24 L C 2.953 179.757 176.870 -0.111 0.000 1.083 24 L CA 0.947 55.709 54.840 -0.129 0.000 0.752 24 L CB -0.386 41.612 42.059 -0.102 0.000 0.899 24 L HN 0.448 nan 8.230 nan 0.000 0.433 25 A N -0.358 122.386 122.820 -0.127 0.000 2.125 25 A HA -0.142 4.178 4.320 -0.001 0.000 0.219 25 A C 2.262 179.799 177.584 -0.078 0.000 1.156 25 A CA 1.137 53.120 52.037 -0.091 0.000 0.671 25 A CB -0.330 18.619 19.000 -0.085 0.000 0.794 25 A HN 0.374 nan 8.150 nan 0.000 0.459 26 R N -1.536 118.906 120.500 -0.098 0.000 2.237 26 R HA 0.313 4.652 4.340 -0.001 0.000 0.195 26 R C 0.901 177.183 176.300 -0.030 0.000 0.956 26 R CA 0.759 56.827 56.100 -0.052 0.000 1.029 26 R CB 0.400 30.677 30.300 -0.038 0.000 0.972 26 R HN 0.485 nan 8.270 nan 0.000 0.493 27 G N 0.840 109.615 108.800 -0.042 0.000 2.321 27 G HA2 0.178 4.138 3.960 -0.001 0.000 0.296 27 G HA3 0.178 4.138 3.960 -0.001 0.000 0.296 27 G C -3.098 171.787 174.900 -0.024 0.000 1.287 27 G CA -1.046 44.042 45.100 -0.020 0.000 0.846 27 G HN -0.248 nan 8.290 nan 0.000 0.508 28 P HA 0.412 nan 4.420 nan 0.000 0.269 28 P C 0.061 177.361 177.300 -0.000 0.000 1.209 28 P CA -0.155 62.943 63.100 -0.002 0.000 0.776 28 P CB 1.214 32.917 31.700 0.005 0.000 0.876 29 V N 0.222 120.144 119.914 0.013 0.000 2.914 29 V HA 0.765 4.884 4.120 -0.001 0.000 0.314 29 V C -0.797 175.330 176.094 0.056 0.000 1.084 29 V CA -0.956 61.361 62.300 0.027 0.000 0.963 29 V CB 2.300 34.140 31.823 0.029 0.000 1.025 29 V HN 0.209 nan 8.190 nan 0.000 0.432 30 V N 2.134 122.065 119.914 0.028 0.000 2.656 30 V HA 0.840 4.959 4.120 -0.001 0.000 0.307 30 V C 0.825 176.936 176.094 0.029 0.000 1.051 30 V CA 0.244 62.552 62.300 0.014 0.000 0.893 30 V CB 1.686 33.407 31.823 -0.171 0.000 0.999 30 V HN 1.350 nan 8.190 nan 0.000 0.426 31 G N 2.400 111.226 108.800 0.043 0.000 2.477 31 G HA2 0.670 4.629 3.960 -0.001 0.000 0.304 31 G HA3 0.670 4.629 3.960 -0.001 0.000 0.304 31 G C -1.378 173.522 174.900 0.001 0.000 1.175 31 G CA -0.369 44.755 45.100 0.040 0.000 0.907 31 G HN 0.682 nan 8.290 nan 0.000 0.509 32 L N 0.534 121.847 121.223 0.149 0.000 2.482 32 L HA 0.686 5.025 4.340 -0.001 0.000 0.263 32 L C -1.128 175.927 176.870 0.309 0.000 0.957 32 L CA -0.618 54.320 54.840 0.164 0.000 0.836 32 L CB 2.399 44.489 42.059 0.053 0.000 1.324 32 L HN 0.387 nan 8.230 nan 0.000 0.406 33 V N 4.899 124.957 119.914 0.240 0.000 2.604 33 V HA 0.623 4.742 4.120 -0.001 0.000 0.305 33 V C -0.673 175.580 176.094 0.266 0.000 1.043 33 V CA -0.674 61.820 62.300 0.324 0.000 0.888 33 V CB 2.122 34.070 31.823 0.209 0.000 0.995 33 V HN 0.541 nan 8.190 nan 0.000 0.429 34 V N 6.022 126.148 119.914 0.354 0.000 2.370 34 V HA 0.408 4.527 4.120 -0.001 0.000 0.283 34 V C -0.039 176.195 176.094 0.233 0.000 1.023 34 V CA -0.561 61.865 62.300 0.210 0.000 0.857 34 V CB 1.613 33.506 31.823 0.116 0.000 0.985 34 V HN 0.632 nan 8.190 nan 0.000 0.443 35 L N 4.685 126.003 121.223 0.158 0.000 2.363 35 L HA 0.361 4.700 4.340 -0.001 0.000 0.286 35 L C -0.040 176.857 176.870 0.046 0.000 1.106 35 L CA -0.010 54.910 54.840 0.133 0.000 0.859 35 L CB 0.262 42.391 42.059 0.117 0.000 1.223 35 L HN 0.604 nan 8.230 nan 0.000 0.446 36 D N 6.178 126.590 120.400 0.020 0.000 2.280 36 D HA 0.248 4.887 4.640 -0.001 0.000 0.236 36 D C -1.649 174.627 176.300 -0.039 0.000 1.082 36 D CA -2.307 51.696 54.000 0.005 0.000 0.834 36 D CB 2.091 42.950 40.800 0.097 0.000 1.100 36 D HN 0.116 nan 8.370 nan 0.000 0.486 37 P HA -0.091 nan 4.420 nan 0.000 0.222 37 P C 0.856 178.109 177.300 -0.077 0.000 1.147 37 P CA 0.603 63.672 63.100 -0.051 0.000 0.790 37 P CB 0.373 32.052 31.700 -0.036 0.000 0.780 38 N N -0.135 118.505 118.700 -0.101 0.000 2.289 38 N HA -0.088 4.651 4.740 -0.001 0.000 0.184 38 N C 1.245 176.607 175.510 -0.247 0.000 1.016 38 N CA 0.930 53.839 53.050 -0.235 0.000 0.872 38 N CB -0.301 37.862 38.487 -0.540 0.000 0.973 38 N HN 0.274 nan 8.380 nan 0.000 0.433 39 N N 0.141 118.735 118.700 -0.176 0.000 2.414 39 N HA 0.111 4.850 4.740 -0.001 0.000 0.177 39 N C 1.503 176.929 175.510 -0.140 0.000 1.062 39 N CA 0.146 53.100 53.050 -0.160 0.000 0.890 39 N CB 0.337 38.706 38.487 -0.195 0.000 1.070 39 N HN 0.212 nan 8.380 nan 0.000 0.454 40 L N 0.557 121.707 121.223 -0.122 0.000 2.585 40 L HA 0.174 4.514 4.340 -0.001 0.000 0.226 40 L C 0.392 177.229 176.870 -0.055 0.000 1.113 40 L CA 0.236 55.026 54.840 -0.083 0.000 0.876 40 L CB 0.239 42.264 42.059 -0.057 0.000 1.072 40 L HN -0.179 nan 8.230 nan 0.000 0.468 41 K N 1.035 121.395 120.400 -0.067 0.000 2.307 41 K HA 0.162 4.481 4.320 -0.001 0.000 0.240 41 K C 0.037 176.582 176.600 -0.091 0.000 1.214 41 K CA 0.021 56.271 56.287 -0.061 0.000 1.149 41 K CB 0.313 32.781 32.500 -0.053 0.000 1.668 41 K HN 0.008 nan 8.250 nan 0.000 0.314 42 T N -0.839 113.657 114.554 -0.097 0.000 2.618 42 T HA 0.220 4.569 4.350 -0.001 0.000 0.286 42 T C -0.488 174.137 174.700 -0.125 0.000 1.027 42 T CA -0.533 61.463 62.100 -0.174 0.000 1.063 42 T CB 1.038 69.830 68.868 -0.127 0.000 1.440 42 T HN 0.421 nan 8.240 nan 0.000 0.505 43 T N 1.301 115.776 114.554 -0.131 0.000 2.900 43 T HA 0.296 4.646 4.350 -0.001 0.000 0.307 43 T C -1.855 172.854 174.700 0.016 0.000 1.065 43 T CA -0.893 61.182 62.100 -0.040 0.000 1.105 43 T CB 0.262 69.129 68.868 -0.001 0.000 0.979 43 T HN 0.336 nan 8.240 nan 0.000 0.544 44 P HA -0.194 nan 4.420 nan 0.000 0.216 44 P C 1.790 179.136 177.300 0.077 0.000 1.153 44 P CA 1.368 64.499 63.100 0.052 0.000 0.858 44 P CB -0.074 31.655 31.700 0.047 0.000 0.789 45 R N 0.160 120.702 120.500 0.070 0.000 2.117 45 R HA -0.123 4.216 4.340 -0.001 0.000 0.243 45 R C 2.056 178.444 176.300 0.146 0.000 1.143 45 R CA 1.545 57.696 56.100 0.084 0.000 0.968 45 R CB -0.821 29.503 30.300 0.040 0.000 0.863 45 R HN 0.166 nan 8.270 nan 0.000 0.444 46 R N 0.228 120.813 120.500 0.141 0.000 2.100 46 R HA 0.108 4.447 4.340 -0.001 0.000 0.220 46 R C 2.551 178.994 176.300 0.238 0.000 1.091 46 R CA 1.079 57.306 56.100 0.212 0.000 0.986 46 R CB -0.132 30.262 30.300 0.158 0.000 0.888 46 R HN 0.256 nan 8.270 nan 0.000 0.444 47 R N 0.601 121.196 120.500 0.158 0.000 2.083 47 R HA -0.092 4.248 4.340 -0.001 0.000 0.237 47 R C 2.329 178.751 176.300 0.204 0.000 1.137 47 R CA 1.603 57.797 56.100 0.157 0.000 0.951 47 R CB -0.392 29.964 30.300 0.093 0.000 0.851 47 R HN 0.184 nan 8.270 nan 0.000 0.434 48 A N 0.938 123.869 122.820 0.186 0.000 1.873 48 A HA -0.196 4.123 4.320 -0.001 0.000 0.215 48 A C 1.949 179.679 177.584 0.243 0.000 1.186 48 A CA 0.995 53.139 52.037 0.179 0.000 0.616 48 A CB -1.063 18.029 19.000 0.154 0.000 0.823 48 A HN 0.642 nan 8.150 nan 0.000 0.442 49 W N -0.450 120.897 121.300 0.078 0.000 2.318 49 W HA -0.282 4.377 4.660 -0.002 0.000 0.313 49 W C 1.939 178.516 176.519 0.096 0.000 1.221 49 W CA 1.839 59.223 57.345 0.065 0.000 1.266 49 W CB -0.351 29.142 29.460 0.056 0.000 1.150 49 W HN 0.397 nan 8.180 nan 0.000 0.496 50 F N 1.166 121.102 119.950 -0.022 0.000 2.075 50 F HA -0.228 4.299 4.527 -0.001 0.000 0.297 50 F C 2.449 178.176 175.800 -0.123 0.000 1.113 50 F CA 2.333 60.255 58.000 -0.131 0.000 1.218 50 F CB -0.970 38.026 39.000 -0.007 0.000 0.984 50 F HN -0.271 nan 8.300 nan 0.000 0.472 51 L N 0.085 121.354 121.223 0.076 0.000 2.013 51 L HA -0.256 4.083 4.340 -0.001 0.000 0.212 51 L C 2.500 179.284 176.870 -0.142 0.000 1.073 51 L CA 1.506 56.335 54.840 -0.018 0.000 0.753 51 L CB -0.809 41.292 42.059 0.071 0.000 0.890 51 L HN 0.153 nan 8.230 nan 0.000 0.432 52 E N -0.167 119.961 120.200 -0.120 0.000 2.150 52 E HA -0.142 4.208 4.350 -0.001 0.000 0.193 52 E C 1.904 178.356 176.600 -0.246 0.000 0.985 52 E CA 0.738 57.065 56.400 -0.123 0.000 0.814 52 E CB -0.419 29.273 29.700 -0.013 0.000 0.752 52 E HN 0.529 nan 8.360 nan 0.000 0.466 53 N N 0.545 118.975 118.700 -0.451 0.000 2.244 53 N HA -0.090 4.649 4.740 -0.001 0.000 0.183 53 N C 1.930 177.200 175.510 -0.400 0.000 1.016 53 N CA 0.646 53.405 53.050 -0.484 0.000 0.866 53 N CB 0.124 38.190 38.487 -0.702 0.000 0.980 53 N HN 0.021 nan 8.380 nan 0.000 0.430 54 V N 1.550 121.183 119.914 -0.468 0.000 2.358 54 V HA -0.180 3.940 4.120 -0.001 0.000 0.246 54 V C 2.577 178.547 176.094 -0.206 0.000 1.047 54 V CA 1.350 63.434 62.300 -0.360 0.000 1.035 54 V CB -0.441 31.178 31.823 -0.340 0.000 0.658 54 V HN 0.268 nan 8.190 nan 0.000 0.452 55 R N 0.435 120.833 120.500 -0.169 0.000 2.073 55 R HA -0.171 4.169 4.340 -0.001 0.000 0.234 55 R C 2.298 178.549 176.300 -0.082 0.000 1.134 55 R CA 1.774 57.813 56.100 -0.101 0.000 0.952 55 R CB -0.509 29.747 30.300 -0.074 0.000 0.850 55 R HN 0.462 nan 8.270 nan 0.000 0.433 56 A N 0.922 123.685 122.820 -0.096 0.000 1.978 56 A HA -0.166 4.153 4.320 -0.001 0.000 0.220 56 A C 2.015 179.571 177.584 -0.045 0.000 1.170 56 A CA 1.283 53.284 52.037 -0.061 0.000 0.636 56 A CB -0.515 18.446 19.000 -0.065 0.000 0.810 56 A HN 0.411 nan 8.150 nan 0.000 0.448 57 L N -0.361 120.814 121.223 -0.080 0.000 2.109 57 L HA -0.010 4.329 4.340 -0.001 0.000 0.207 57 L C 2.386 179.290 176.870 0.057 0.000 1.086 57 L CA 2.144 56.964 54.840 -0.035 0.000 0.760 57 L CB -0.585 41.389 42.059 -0.141 0.000 0.910 57 L HN 0.467 nan 8.230 nan 0.000 0.437 58 R N -0.609 119.875 120.500 -0.026 0.000 2.083 58 R HA -0.172 4.167 4.340 -0.001 0.000 0.237 58 R C 2.090 178.429 176.300 0.065 0.000 1.137 58 R CA 1.566 57.663 56.100 -0.006 0.000 0.951 58 R CB -0.178 30.087 30.300 -0.057 0.000 0.851 58 R HN 0.343 nan 8.270 nan 0.000 0.434 59 E N 0.351 120.568 120.200 0.028 0.000 2.118 59 E HA -0.199 4.150 4.350 -0.001 0.000 0.195 59 E C 1.840 178.470 176.600 0.050 0.000 0.992 59 E CA 1.438 57.856 56.400 0.031 0.000 0.804 59 E CB -0.286 29.420 29.700 0.010 0.000 0.741 59 E HN 0.507 nan 8.360 nan 0.000 0.458 60 A N 0.195 123.050 122.820 0.058 0.000 1.873 60 A HA -0.180 4.139 4.320 -0.001 0.000 0.215 60 A C 2.088 179.699 177.584 0.044 0.000 1.186 60 A CA 1.196 53.256 52.037 0.038 0.000 0.616 60 A CB -0.862 18.151 19.000 0.021 0.000 0.823 60 A HN 0.224 nan 8.150 nan 0.000 0.442 61 Y N -0.020 120.263 120.300 -0.029 0.000 2.097 61 Y HA -0.234 4.316 4.550 -0.001 0.000 0.282 61 Y C 2.747 178.647 175.900 -0.001 0.000 1.152 61 Y CA 2.228 60.322 58.100 -0.011 0.000 1.136 61 Y CB -0.291 38.165 38.460 -0.007 0.000 0.975 61 Y HN 0.232 nan 8.280 nan 0.000 0.498 62 R N -0.551 120.051 120.500 0.169 0.000 2.073 62 R HA -0.159 4.180 4.340 -0.001 0.000 0.234 62 R C 2.477 178.810 176.300 0.055 0.000 1.134 62 R CA 1.177 57.334 56.100 0.096 0.000 0.952 62 R CB -0.697 29.640 30.300 0.061 0.000 0.850 62 R HN 0.317 nan 8.270 nan 0.000 0.433 63 A N 0.953 123.796 122.820 0.039 0.000 2.024 63 A HA -0.165 4.154 4.320 -0.001 0.000 0.220 63 A C 1.790 179.377 177.584 0.006 0.000 1.164 63 A CA 1.307 53.355 52.037 0.017 0.000 0.643 63 A CB -0.262 18.744 19.000 0.009 0.000 0.806 63 A HN 0.224 nan 8.150 nan 0.000 0.451 64 R N -1.819 118.680 120.500 -0.001 0.000 2.359 64 R HA 0.273 4.613 4.340 -0.001 0.000 0.231 64 R C 1.128 177.427 176.300 -0.001 0.000 0.913 64 R CA 0.527 56.614 56.100 -0.021 0.000 1.075 64 R CB 0.120 30.378 30.300 -0.070 0.000 1.087 64 R HN 0.644 nan 8.270 nan 0.000 0.515 65 G N -0.117 108.698 108.800 0.026 0.000 2.157 65 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.248 65 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.248 65 G C 0.277 175.218 174.900 0.067 0.000 0.979 65 G CA -0.138 44.985 45.100 0.038 0.000 0.650 65 G HN 0.536 nan 8.290 nan 0.000 0.529 66 G N -0.941 107.922 108.800 0.106 0.000 2.601 66 G HA2 0.873 4.832 3.960 -0.001 0.000 0.317 66 G HA3 0.873 4.832 3.960 -0.001 0.000 0.317 66 G C -0.241 174.830 174.900 0.284 0.000 1.246 66 G CA -0.015 45.199 45.100 0.191 0.000 1.012 66 G HN 1.572 nan 8.290 nan 0.000 0.494 67 A N -0.342 122.678 122.820 0.333 0.000 2.311 67 A HA 0.628 4.947 4.320 -0.001 0.000 0.306 67 A C -1.236 176.359 177.584 0.018 0.000 1.189 67 A CA -0.461 51.695 52.037 0.199 0.000 0.791 67 A CB 1.386 20.511 19.000 0.208 0.000 1.172 67 A HN 0.899 nan 8.150 nan 0.000 0.481 68 L N 2.954 124.072 121.223 -0.175 0.000 2.316 68 L HA 0.731 5.070 4.340 -0.001 0.000 0.280 68 L C -1.272 175.599 176.870 0.001 0.000 1.006 68 L CA -0.320 54.277 54.840 -0.405 0.000 0.836 68 L CB 0.485 42.089 42.059 -0.759 0.000 1.221 68 L HN 0.707 nan 8.230 nan 0.000 0.418 69 W N 4.647 125.837 121.300 -0.184 0.000 2.202 69 W HA 0.547 5.206 4.660 -0.002 0.000 0.332 69 W C -0.471 175.993 176.519 -0.092 0.000 1.263 69 W CA -0.388 56.893 57.345 -0.108 0.000 1.223 69 W CB 1.229 30.642 29.460 -0.078 0.000 1.128 69 W HN 0.197 nan 8.180 nan 0.000 0.573 70 V N 5.331 125.288 119.914 0.072 0.000 2.524 70 V HA 0.401 4.520 4.120 -0.001 0.000 0.297 70 V C -0.305 175.806 176.094 0.029 0.000 1.035 70 V CA -0.945 61.386 62.300 0.052 0.000 0.867 70 V CB 0.880 32.702 31.823 -0.001 0.000 1.004 70 V HN 0.336 nan 8.190 nan 0.000 0.426 71 L N 3.164 124.425 121.223 0.064 0.000 2.319 71 L HA 0.741 5.080 4.340 -0.001 0.000 0.267 71 L C -0.260 176.623 176.870 0.020 0.000 1.011 71 L CA -0.645 54.212 54.840 0.027 0.000 0.818 71 L CB 2.276 44.363 42.059 0.047 0.000 1.316 71 L HN 0.504 nan 8.230 nan 0.000 0.432 72 E N 0.895 121.091 120.200 -0.007 0.000 2.187 72 E HA 0.701 5.051 4.350 -0.001 0.000 0.268 72 E C -0.515 176.058 176.600 -0.045 0.000 0.896 72 E CA -0.097 56.297 56.400 -0.010 0.000 0.766 72 E CB 2.083 31.777 29.700 -0.010 0.000 1.142 72 E HN 0.745 nan 8.360 nan 0.000 0.408 73 G N 2.598 111.359 108.800 -0.064 0.000 2.340 73 G HA2 -0.003 3.956 3.960 -0.001 0.000 0.282 73 G HA3 -0.003 3.956 3.960 -0.001 0.000 0.282 73 G C -1.199 173.572 174.900 -0.214 0.000 1.312 73 G CA -0.741 44.286 45.100 -0.122 0.000 0.942 73 G HN 0.450 nan 8.290 nan 0.000 0.495 74 L N 1.182 122.184 121.223 -0.369 0.000 2.410 74 L HA 0.264 4.603 4.340 -0.001 0.000 0.273 74 L C -1.300 175.124 176.870 -0.744 0.000 1.152 74 L CA -1.457 52.918 54.840 -0.776 0.000 0.855 74 L CB 1.198 42.508 42.059 -1.247 0.000 1.129 74 L HN 0.320 nan 8.230 nan 0.000 0.463 75 P HA -0.175 nan 4.420 nan 0.000 0.216 75 P C 1.012 178.153 177.300 -0.265 0.000 1.150 75 P CA 1.425 64.350 63.100 -0.292 0.000 0.837 75 P CB 0.014 31.785 31.700 0.119 0.000 0.786 76 W N -0.479 120.792 121.300 -0.049 0.000 2.825 76 W HA 0.128 4.788 4.660 -0.001 0.000 0.243 76 W C 1.347 177.824 176.519 -0.070 0.000 1.293 76 W CA 0.295 57.592 57.345 -0.080 0.000 1.403 76 W CB -1.028 28.396 29.460 -0.060 0.000 1.134 76 W HN -0.084 nan 8.180 nan 0.000 0.666 77 E N 1.236 121.296 120.200 -0.234 0.000 2.132 77 E HA -0.042 4.307 4.350 -0.001 0.000 0.193 77 E C 1.991 178.505 176.600 -0.144 0.000 0.951 77 E CA 0.667 56.985 56.400 -0.136 0.000 0.843 77 E CB -0.240 29.356 29.700 -0.173 0.000 0.807 77 E HN 0.199 nan 8.360 nan 0.000 0.467 78 K N 0.982 121.258 120.400 -0.208 0.000 2.137 78 K HA 0.057 4.376 4.320 -0.001 0.000 0.202 78 K C 2.302 178.772 176.600 -0.217 0.000 1.052 78 K CA 0.375 56.561 56.287 -0.168 0.000 0.961 78 K CB -0.349 32.058 32.500 -0.156 0.000 0.741 78 K HN -0.033 nan 8.250 nan 0.000 0.452 79 V N 2.022 121.727 119.914 -0.349 0.000 2.295 79 V HA -0.159 3.961 4.120 -0.001 0.000 0.246 79 V C -0.925 175.010 176.094 -0.264 0.000 1.049 79 V CA 1.773 63.800 62.300 -0.455 0.000 1.024 79 V CB -1.227 30.129 31.823 -0.779 0.000 0.648 79 V HN 0.146 nan 8.190 nan 0.000 0.447 80 P HA -0.159 nan 4.420 nan 0.000 0.217 80 P C 1.672 178.918 177.300 -0.090 0.000 1.150 80 P CA 1.426 64.459 63.100 -0.113 0.000 0.832 80 P CB 0.067 31.729 31.700 -0.063 0.000 0.787 81 E N 0.001 120.155 120.200 -0.076 0.000 2.038 81 E HA -0.239 4.110 4.350 -0.001 0.000 0.195 81 E C 1.937 178.524 176.600 -0.022 0.000 1.000 81 E CA 1.495 57.876 56.400 -0.031 0.000 0.803 81 E CB -0.595 29.101 29.700 -0.007 0.000 0.750 81 E HN 0.045 nan 8.360 nan 0.000 0.448 82 A N 1.258 124.045 122.820 -0.055 0.000 1.908 82 A HA -0.169 4.150 4.320 -0.001 0.000 0.218 82 A C 2.428 179.850 177.584 -0.270 0.000 1.181 82 A CA 2.168 54.102 52.037 -0.171 0.000 0.627 82 A CB -0.922 17.942 19.000 -0.227 0.000 0.818 82 A HN 0.457 nan 8.150 nan 0.000 0.445 83 A N -0.620 122.079 122.820 -0.201 0.000 1.908 83 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 83 A C 2.288 179.797 177.584 -0.124 0.000 1.181 83 A CA 1.681 53.617 52.037 -0.168 0.000 0.627 83 A CB -0.482 18.439 19.000 -0.132 0.000 0.818 83 A HN 0.542 nan 8.150 nan 0.000 0.445 84 R N -0.845 119.603 120.500 -0.087 0.000 2.070 84 R HA -0.083 4.256 4.340 -0.001 0.000 0.233 84 R C 2.523 178.799 176.300 -0.039 0.000 1.137 84 R CA 1.640 57.710 56.100 -0.050 0.000 0.945 84 R CB -0.286 29.999 30.300 -0.026 0.000 0.845 84 R HN 0.506 nan 8.270 nan 0.000 0.430 85 R N 0.263 120.750 120.500 -0.022 0.000 2.127 85 R HA -0.113 4.226 4.340 -0.001 0.000 0.238 85 R C 2.030 178.319 176.300 -0.018 0.000 1.134 85 R CA 1.141 57.266 56.100 0.040 0.000 0.975 85 R CB -0.210 30.215 30.300 0.207 0.000 0.865 85 R HN 0.227 nan 8.270 nan 0.000 0.447 86 L N 0.457 121.582 121.223 -0.163 0.000 2.592 86 L HA 0.087 4.427 4.340 -0.001 0.000 0.227 86 L C 0.166 176.973 176.870 -0.106 0.000 1.127 86 L CA 0.104 54.831 54.840 -0.189 0.000 0.884 86 L CB 0.015 41.841 42.059 -0.387 0.000 1.065 86 L HN 0.069 nan 8.230 nan 0.000 0.457 87 K N 0.336 120.689 120.400 -0.078 0.000 3.156 87 K HA -0.203 4.116 4.320 -0.001 0.000 0.266 87 K C 0.398 176.963 176.600 -0.058 0.000 0.966 87 K CA 0.277 56.532 56.287 -0.053 0.000 0.719 87 K CB -1.542 30.940 32.500 -0.029 0.000 1.333 87 K HN 0.370 nan 8.250 nan 0.000 0.468 88 A N 0.924 123.693 122.820 -0.084 0.000 2.483 88 A HA 0.134 4.453 4.320 -0.001 0.000 0.238 88 A C 1.099 178.665 177.584 -0.029 0.000 1.070 88 A CA 0.075 52.075 52.037 -0.063 0.000 0.770 88 A CB 0.459 19.406 19.000 -0.089 0.000 1.008 88 A HN 0.238 nan 8.150 nan 0.000 0.497 89 K N 0.418 120.821 120.400 0.006 0.000 2.243 89 K HA 0.390 4.709 4.320 -0.001 0.000 0.201 89 K C 0.526 177.140 176.600 0.023 0.000 1.051 89 K CA 1.351 57.651 56.287 0.023 0.000 0.970 89 K CB -0.224 32.308 32.500 0.053 0.000 0.755 89 K HN 1.022 nan 8.250 nan 0.000 0.465 90 A N -0.895 121.948 122.820 0.039 0.000 2.567 90 A HA 0.571 4.891 4.320 -0.001 0.000 0.291 90 A C -1.591 176.004 177.584 0.018 0.000 1.048 90 A CA -0.765 51.260 52.037 -0.020 0.000 0.661 90 A CB 1.058 20.067 19.000 0.015 0.000 1.288 90 A HN -0.174 nan 8.150 nan 0.000 0.424 91 V N 0.905 120.760 119.914 -0.098 0.000 2.495 91 V HA 0.608 4.727 4.120 -0.001 0.000 0.298 91 V C -1.334 174.733 176.094 -0.045 0.000 1.031 91 V CA -0.390 61.927 62.300 0.029 0.000 0.871 91 V CB 1.322 33.158 31.823 0.021 0.000 0.988 91 V HN 0.749 nan 8.190 nan 0.000 0.432 92 Y N 2.280 122.666 120.300 0.144 0.000 2.429 92 Y HA 0.855 5.405 4.550 -0.001 0.000 0.342 92 Y C 0.341 176.316 175.900 0.125 0.000 1.004 92 Y CA -0.366 57.819 58.100 0.142 0.000 1.075 92 Y CB 2.258 40.780 38.460 0.103 0.000 1.214 92 Y HN 0.836 nan 8.280 nan 0.000 0.455 93 A N 2.164 125.111 122.820 0.210 0.000 2.599 93 A HA 0.729 5.049 4.320 -0.001 0.000 0.290 93 A C -1.979 175.606 177.584 0.001 0.000 1.101 93 A CA -0.896 51.173 52.037 0.054 0.000 0.674 93 A CB 1.123 20.048 19.000 -0.124 0.000 1.277 93 A HN 0.680 nan 8.150 nan 0.000 0.419 94 L N 1.536 122.711 121.223 -0.081 0.000 2.326 94 L HA 0.357 4.697 4.340 -0.001 0.000 0.278 94 L C 0.528 177.307 176.870 -0.152 0.000 1.092 94 L CA -0.524 54.251 54.840 -0.108 0.000 0.810 94 L CB 1.284 43.242 42.059 -0.169 0.000 1.153 94 L HN 0.814 nan 8.230 nan 0.000 0.439 95 T N 1.573 116.046 114.554 -0.134 0.000 2.946 95 T HA -0.014 4.336 4.350 -0.001 0.000 0.312 95 T C 0.274 174.797 174.700 -0.295 0.000 1.066 95 T CA 0.240 62.202 62.100 -0.231 0.000 1.138 95 T CB 0.555 69.269 68.868 -0.258 0.000 1.014 95 T HN 0.588 nan 8.240 nan 0.000 0.544 96 S N 1.031 116.527 115.700 -0.340 0.000 2.478 96 S HA 0.345 4.815 4.470 -0.001 0.000 0.312 96 S C 0.027 174.430 174.600 -0.328 0.000 1.094 96 S CA -0.790 57.251 58.200 -0.266 0.000 1.081 96 S CB 0.513 63.609 63.200 -0.172 0.000 1.007 96 S HN 0.785 nan 8.310 nan 0.000 0.475 97 H N 1.715 120.782 119.070 -0.004 0.000 2.551 97 H HA 0.200 4.755 4.556 -0.001 0.000 0.271 97 H C 1.102 176.504 175.328 0.123 0.000 0.984 97 H CA 0.434 56.521 56.048 0.065 0.000 1.164 97 H CB 0.412 30.184 29.762 0.016 0.000 1.437 97 H HN 0.659 nan 8.280 nan 0.000 0.550 98 T N -2.049 112.590 114.554 0.141 0.000 2.899 98 T HA 0.063 4.413 4.350 -0.001 0.000 0.295 98 T C -1.591 173.186 174.700 0.130 0.000 1.033 98 T CA -1.812 60.375 62.100 0.146 0.000 1.084 98 T CB 1.606 70.561 68.868 0.146 0.000 0.979 98 T HN -0.126 nan 8.240 nan 0.000 0.532 99 P HA -0.086 nan 4.420 nan 0.000 0.215 99 P C 1.059 178.471 177.300 0.187 0.000 1.153 99 P CA 0.845 64.023 63.100 0.130 0.000 0.853 99 P CB -0.156 31.612 31.700 0.114 0.000 0.788 100 Y N 0.549 120.923 120.300 0.122 0.000 2.200 100 Y HA -0.037 4.512 4.550 -0.001 0.000 0.290 100 Y C 2.433 178.446 175.900 0.188 0.000 1.137 100 Y CA 1.884 60.092 58.100 0.180 0.000 1.163 100 Y CB -1.143 37.412 38.460 0.158 0.000 0.988 100 Y HN -0.142 nan 8.280 nan 0.000 0.518 101 G N 0.217 108.988 108.800 -0.048 0.000 2.469 101 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.219 101 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.219 101 G C 1.794 176.594 174.900 -0.166 0.000 1.150 101 G CA 1.064 46.074 45.100 -0.150 0.000 0.763 101 G HN 0.379 nan 8.290 nan 0.000 0.561 102 R N -1.206 119.250 120.500 -0.074 0.000 2.073 102 R HA -0.005 4.335 4.340 -0.001 0.000 0.229 102 R C 2.308 178.552 176.300 -0.093 0.000 1.120 102 R CA 1.164 57.227 56.100 -0.062 0.000 0.967 102 R CB -0.548 29.759 30.300 0.011 0.000 0.862 102 R HN 0.505 nan 8.270 nan 0.000 0.436 103 Y N 1.776 121.989 120.300 -0.145 0.000 2.070 103 Y HA -0.280 4.269 4.550 -0.001 0.000 0.280 103 Y C 2.543 178.295 175.900 -0.246 0.000 1.148 103 Y CA 1.799 59.795 58.100 -0.174 0.000 1.125 103 Y CB -0.286 38.104 38.460 -0.116 0.000 0.975 103 Y HN -0.128 nan 8.280 nan 0.000 0.492 104 R N 0.303 120.465 120.500 -0.563 0.000 2.094 104 R HA -0.206 4.133 4.340 -0.001 0.000 0.239 104 R C 1.765 177.960 176.300 -0.175 0.000 1.137 104 R CA 2.365 58.237 56.100 -0.379 0.000 0.943 104 R CB -0.626 29.460 30.300 -0.358 0.000 0.850 104 R HN 0.394 nan 8.270 nan 0.000 0.433 105 D N -0.526 119.793 120.400 -0.134 0.000 2.144 105 D HA -0.097 4.542 4.640 -0.001 0.000 0.199 105 D C 1.754 178.003 176.300 -0.084 0.000 0.984 105 D CA 1.487 55.472 54.000 -0.025 0.000 0.834 105 D CB -0.569 40.193 40.800 -0.063 0.000 0.955 105 D HN 0.558 nan 8.370 nan 0.000 0.465 106 G N 0.612 109.300 108.800 -0.187 0.000 2.418 106 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.217 106 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.217 106 G C 1.824 176.578 174.900 -0.243 0.000 1.158 106 G CA 0.261 45.243 45.100 -0.196 0.000 0.771 106 G HN 0.095 nan 8.290 nan 0.000 0.545 107 R N 0.096 120.348 120.500 -0.415 0.000 2.075 107 R HA 0.034 4.373 4.340 -0.001 0.000 0.232 107 R C 2.795 179.018 176.300 -0.127 0.000 1.126 107 R CA 0.739 56.578 56.100 -0.435 0.000 0.963 107 R CB -1.033 28.706 30.300 -0.934 0.000 0.858 107 R HN 0.338 nan 8.270 nan 0.000 0.435 108 V N 0.828 120.746 119.914 0.007 0.000 2.295 108 V HA -0.240 3.879 4.120 -0.001 0.000 0.246 108 V C 2.582 178.678 176.094 0.002 0.000 1.049 108 V CA 2.019 64.366 62.300 0.079 0.000 1.024 108 V CB -0.532 31.377 31.823 0.142 0.000 0.648 108 V HN 0.290 nan 8.190 nan 0.000 0.447 109 R N 0.216 120.702 120.500 -0.023 0.000 2.105 109 R HA -0.222 4.118 4.340 -0.001 0.000 0.239 109 R C 2.190 178.454 176.300 -0.060 0.000 1.135 109 R CA 2.016 58.085 56.100 -0.052 0.000 0.967 109 R CB -0.230 30.033 30.300 -0.062 0.000 0.861 109 R HN 0.642 nan 8.270 nan 0.000 0.442 110 E N -0.478 119.681 120.200 -0.068 0.000 2.072 110 E HA -0.150 4.200 4.350 -0.001 0.000 0.191 110 E C 1.802 178.378 176.600 -0.040 0.000 0.985 110 E CA 1.305 57.667 56.400 -0.062 0.000 0.801 110 E CB -0.066 29.582 29.700 -0.086 0.000 0.750 110 E HN 0.503 nan 8.360 nan 0.000 0.452 111 A N 0.580 123.388 122.820 -0.020 0.000 2.123 111 A HA 0.089 4.408 4.320 -0.001 0.000 0.214 111 A C 1.011 178.584 177.584 -0.018 0.000 1.152 111 A CA 0.031 52.070 52.037 0.002 0.000 0.728 111 A CB 0.006 19.042 19.000 0.060 0.000 0.814 111 A HN 0.079 nan 8.150 nan 0.000 0.464 112 L N 1.055 122.255 121.223 -0.038 0.000 2.331 112 L HA 0.221 4.560 4.340 -0.001 0.000 0.278 112 L C -1.349 175.487 176.870 -0.056 0.000 1.106 112 L CA -1.464 53.342 54.840 -0.057 0.000 0.824 112 L CB 1.507 43.520 42.059 -0.077 0.000 1.142 112 L HN 0.144 nan 8.230 nan 0.000 0.443 113 P HA 0.047 nan 4.420 nan 0.000 0.262 113 P C -0.407 176.859 177.300 -0.057 0.000 1.304 113 P CA 0.287 63.358 63.100 -0.047 0.000 0.859 113 P CB 0.245 31.923 31.700 -0.037 0.000 1.310 114 V N -4.354 115.515 119.914 -0.076 0.000 3.001 114 V HA 0.726 4.845 4.120 -0.001 0.000 0.314 114 V C -3.101 172.907 176.094 -0.144 0.000 1.099 114 V CA -3.244 59.001 62.300 -0.090 0.000 0.989 114 V CB 1.303 33.080 31.823 -0.078 0.000 1.040 114 V HN -0.326 nan 8.190 nan 0.000 0.434 115 P HA 0.314 nan 4.420 nan 0.000 0.269 115 P C -0.938 176.091 177.300 -0.451 0.000 1.209 115 P CA -0.011 62.862 63.100 -0.379 0.000 0.776 115 P CB 0.407 31.756 31.700 -0.586 0.000 0.876 116 L N 4.408 125.387 121.223 -0.407 0.000 2.276 116 L HA 0.334 4.673 4.340 -0.001 0.000 0.286 116 L C -0.730 175.898 176.870 -0.405 0.000 1.024 116 L CA -0.192 54.460 54.840 -0.314 0.000 0.826 116 L CB -0.037 41.959 42.059 -0.104 0.000 1.211 116 L HN 0.351 nan 8.230 nan 0.000 0.422 117 H N 6.789 125.691 119.070 -0.280 0.000 2.597 117 H HA 0.404 4.959 4.556 -0.001 0.000 0.303 117 H C -0.751 174.519 175.328 -0.096 0.000 1.057 117 H CA -0.378 55.518 56.048 -0.254 0.000 1.261 117 H CB 1.213 30.651 29.762 -0.541 0.000 1.397 117 H HN 0.555 nan 8.280 nan 0.000 0.461 118 L N 4.767 126.025 121.223 0.058 0.000 2.295 118 L HA 0.322 4.661 4.340 -0.001 0.000 0.285 118 L C -0.292 176.609 176.870 0.053 0.000 1.035 118 L CA -0.733 54.126 54.840 0.032 0.000 0.806 118 L CB 1.208 43.247 42.059 -0.033 0.000 1.214 118 L HN 0.226 nan 8.230 nan 0.000 0.426 119 L N 4.563 125.817 121.223 0.052 0.000 2.330 119 L HA 0.566 4.905 4.340 -0.001 0.000 0.271 119 L C -2.256 174.621 176.870 0.013 0.000 1.013 119 L CA -1.567 53.303 54.840 0.049 0.000 0.816 119 L CB 1.496 43.595 42.059 0.066 0.000 1.287 119 L HN 0.309 nan 8.230 nan 0.000 0.435 120 P HA 0.105 nan 4.420 nan 0.000 0.267 120 P C -0.852 176.455 177.300 0.011 0.000 1.209 120 P CA -0.157 62.975 63.100 0.053 0.000 0.763 120 P CB 0.599 32.342 31.700 0.072 0.000 0.816 121 A N 6.473 129.294 122.820 0.001 0.000 2.483 121 A HA 0.309 4.628 4.320 -0.001 0.000 0.238 121 A C -1.996 175.498 177.584 -0.151 0.000 1.070 121 A CA -0.934 51.034 52.037 -0.116 0.000 0.770 121 A CB -1.101 17.807 19.000 -0.154 0.000 1.008 121 A HN 0.395 nan 8.150 nan 0.000 0.497 122 P HA 0.260 nan 4.420 nan 0.000 0.271 122 P C -0.357 176.785 177.300 -0.263 0.000 1.220 122 P CA 0.653 63.674 63.100 -0.131 0.000 0.768 122 P CB 0.447 32.092 31.700 -0.092 0.000 0.848 123 H N 1.174 120.291 119.070 0.079 0.000 2.941 123 H HA 0.272 4.828 4.556 -0.001 0.000 0.344 123 H C 0.642 176.044 175.328 0.123 0.000 1.235 123 H CA -0.467 55.644 56.048 0.105 0.000 1.149 123 H CB 1.379 31.210 29.762 0.115 0.000 1.885 123 H HN 0.086 nan 8.280 nan 0.000 0.558 124 L N 0.038 121.423 121.223 0.269 0.000 2.168 124 L HA 0.187 4.527 4.340 -0.001 0.000 0.203 124 L C 0.399 177.411 176.870 0.237 0.000 1.078 124 L CA 1.212 56.188 54.840 0.227 0.000 0.780 124 L CB 0.215 42.203 42.059 -0.119 0.000 0.939 124 L HN 0.237 nan 8.230 nan 0.000 0.451 125 L N 0.348 121.660 121.223 0.149 0.000 2.436 125 L HA 0.429 4.769 4.340 -0.001 0.000 0.268 125 L C -2.481 174.438 176.870 0.083 0.000 0.974 125 L CA -1.839 53.042 54.840 0.069 0.000 0.826 125 L CB 2.437 44.377 42.059 -0.198 0.000 1.291 125 L HN -0.163 nan 8.230 nan 0.000 0.406 126 P HA 0.204 nan 4.420 nan 0.000 0.274 126 P C -2.407 174.851 177.300 -0.070 0.000 1.237 126 P CA -1.451 61.569 63.100 -0.133 0.000 0.793 126 P CB 0.538 32.205 31.700 -0.055 0.000 0.977 127 P HA -0.026 nan 4.420 nan 0.000 0.241 127 P C 0.206 177.339 177.300 -0.278 0.000 1.191 127 P CA 1.048 64.089 63.100 -0.098 0.000 0.771 127 P CB 0.078 31.672 31.700 -0.176 0.000 0.929 128 D N -1.332 118.754 120.400 -0.523 0.000 2.571 128 D HA 0.081 4.720 4.640 -0.001 0.000 0.239 128 D C 0.431 176.611 176.300 -0.199 0.000 1.267 128 D CA -0.788 52.698 54.000 -0.856 0.000 0.823 128 D CB -0.516 39.459 40.800 -1.374 0.000 1.056 128 D HN -0.103 nan 8.370 nan 0.000 0.494 129 L N 1.446 122.724 121.223 0.092 0.000 2.554 129 L HA 0.084 4.423 4.340 -0.001 0.000 0.293 129 L C -0.965 176.076 176.870 0.287 0.000 1.252 129 L CA -0.808 54.150 54.840 0.197 0.000 0.862 129 L CB 0.051 42.274 42.059 0.274 0.000 1.113 129 L HN -0.101 nan 8.230 nan 0.000 0.510 130 P HA -0.098 nan 4.420 nan 0.000 0.215 130 P C 0.306 177.701 177.300 0.158 0.000 1.157 130 P CA 0.953 64.141 63.100 0.147 0.000 0.863 130 P CB 0.122 31.871 31.700 0.081 0.000 0.787 131 R N 0.635 121.186 120.500 0.085 0.000 2.438 131 R HA 0.418 4.757 4.340 -0.001 0.000 0.287 131 R C -0.423 175.710 176.300 -0.278 0.000 1.077 131 R CA -0.161 55.871 56.100 -0.114 0.000 1.034 131 R CB 0.403 30.547 30.300 -0.260 0.000 0.993 131 R HN -0.003 nan 8.270 nan 0.000 0.459 132 A N 5.856 128.472 122.820 -0.341 0.000 2.341 132 A HA 0.307 4.626 4.320 -0.001 0.000 0.326 132 A C -1.103 176.420 177.584 -0.103 0.000 1.402 132 A CA -0.489 51.312 52.037 -0.394 0.000 0.957 132 A CB 0.086 18.924 19.000 -0.270 0.000 1.151 132 A HN 0.661 nan 8.150 nan 0.000 0.533 133 Y N 1.087 121.617 120.300 0.384 0.000 2.304 133 Y HA 0.336 4.885 4.550 -0.001 0.000 0.328 133 Y C 1.473 177.652 175.900 0.465 0.000 1.123 133 Y CA -0.250 58.048 58.100 0.329 0.000 1.218 133 Y CB 1.330 39.885 38.460 0.159 0.000 1.207 133 Y HN 0.696 nan 8.280 nan 0.000 0.495 134 R N 1.163 121.933 120.500 0.451 0.000 2.290 134 R HA 0.222 4.561 4.340 -0.001 0.000 0.197 134 R C -0.736 175.810 176.300 0.410 0.000 0.913 134 R CA 0.173 56.450 56.100 0.297 0.000 1.040 134 R CB 0.484 30.819 30.300 0.058 0.000 0.992 134 R HN 0.335 nan 8.270 nan 0.000 0.500 135 V N 0.329 120.463 119.914 0.368 0.000 2.604 135 V HA 0.076 4.196 4.120 -0.001 0.000 0.305 135 V C -0.007 175.972 176.094 -0.191 0.000 1.043 135 V CA -0.864 61.540 62.300 0.173 0.000 0.888 135 V CB 1.634 33.534 31.823 0.128 0.000 0.995 135 V HN 0.097 nan 8.190 nan 0.000 0.429 136 Y N 3.532 123.406 120.300 -0.710 0.000 2.242 136 Y HA -0.197 4.352 4.550 -0.001 0.000 0.291 136 Y C 2.300 177.792 175.900 -0.680 0.000 1.137 136 Y CA 2.603 59.866 58.100 -1.396 0.000 1.181 136 Y CB 0.010 37.543 38.460 -1.545 0.000 0.989 136 Y HN 0.693 nan 8.280 nan 0.000 0.527 137 T N 1.746 116.089 114.554 -0.352 0.000 2.674 137 T HA -0.104 4.245 4.350 -0.001 0.000 0.265 137 T C -0.544 173.910 174.700 -0.411 0.000 1.039 137 T CA 2.087 63.999 62.100 -0.313 0.000 1.150 137 T CB -1.114 67.715 68.868 -0.065 0.000 0.864 137 T HN 0.277 nan 8.240 nan 0.000 0.427 138 P HA -0.018 nan 4.420 nan 0.000 0.218 138 P C 1.216 178.032 177.300 -0.807 0.000 1.149 138 P CA 0.667 63.553 63.100 -0.357 0.000 0.817 138 P CB -0.141 31.515 31.700 -0.075 0.000 0.785 139 F N 1.454 120.699 119.950 -1.175 0.000 2.102 139 F HA -0.197 4.329 4.527 -0.001 0.000 0.298 139 F C 2.288 177.538 175.800 -0.917 0.000 1.105 139 F CA 2.023 59.229 58.000 -1.324 0.000 1.239 139 F CB -0.952 37.421 39.000 -1.045 0.000 0.991 139 F HN -0.069 nan 8.300 nan 0.000 0.474 140 S N 0.529 115.643 115.700 -0.977 0.000 2.419 140 S HA -0.217 4.253 4.470 -0.001 0.000 0.233 140 S C 1.986 176.265 174.600 -0.534 0.000 1.016 140 S CA 1.115 58.783 58.200 -0.887 0.000 0.974 140 S CB -0.807 61.779 63.200 -1.022 0.000 0.786 140 S HN 0.570 nan 8.310 nan 0.000 0.492 141 R N 0.589 120.810 120.500 -0.466 0.000 2.280 141 R HA 0.266 4.605 4.340 -0.001 0.000 0.207 141 R C 1.869 178.013 176.300 -0.259 0.000 1.043 141 R CA 0.757 56.688 56.100 -0.282 0.000 1.006 141 R CB -0.476 29.691 30.300 -0.222 0.000 0.885 141 R HN 0.444 nan 8.270 nan 0.000 0.467 142 L N -0.452 120.547 121.223 -0.373 0.000 2.291 142 L HA -0.053 4.286 4.340 -0.001 0.000 0.214 142 L C 0.670 177.425 176.870 -0.193 0.000 1.120 142 L CA 0.250 54.921 54.840 -0.282 0.000 0.799 142 L CB -0.200 41.639 42.059 -0.367 0.000 0.925 142 L HN 0.153 nan 8.230 nan 0.000 0.446 143 Y N 1.551 121.642 120.300 -0.348 0.000 2.335 143 Y HA 0.157 4.706 4.550 -0.001 0.000 0.331 143 Y C 0.760 176.570 175.900 -0.150 0.000 1.094 143 Y CA -0.529 57.426 58.100 -0.242 0.000 1.253 143 Y CB 0.390 38.693 38.460 -0.263 0.000 1.203 143 Y HN -0.050 nan 8.280 nan 0.000 0.508 144 R N 4.696 124.819 120.500 -0.628 0.000 2.700 144 R HA 0.348 4.688 4.340 -0.001 0.000 0.399 144 R C -0.235 175.701 176.300 -0.606 0.000 1.115 144 R CA 0.205 56.015 56.100 -0.483 0.000 1.058 144 R CB 0.167 30.317 30.300 -0.249 0.000 1.389 144 R HN 0.956 nan 8.270 nan 0.000 0.582 145 G N 0.651 108.724 108.800 -1.212 0.000 2.788 145 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.686 145 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.686 145 G C -0.513 174.170 174.900 -0.361 0.000 1.147 145 G CA -0.552 44.185 45.100 -0.605 0.000 0.755 145 G HN 0.376 nan 8.290 nan 0.000 0.634 146 A N 1.197 124.074 122.820 0.095 0.000 2.425 146 A HA 0.879 5.199 4.320 -0.001 0.000 0.249 146 A C 1.216 179.008 177.584 0.347 0.000 1.084 146 A CA 1.181 53.412 52.037 0.323 0.000 0.781 146 A CB 0.475 19.769 19.000 0.489 0.000 1.019 146 A HN 2.590 nan 8.150 nan 0.000 0.490 147 A N 3.380 126.328 122.820 0.213 0.000 2.366 147 A HA 0.606 4.925 4.320 -0.001 0.000 0.249 147 A C -2.345 175.185 177.584 -0.090 0.000 1.084 147 A CA -1.300 50.799 52.037 0.103 0.000 0.794 147 A CB -0.510 18.505 19.000 0.025 0.000 1.034 147 A HN 0.640 nan 8.150 nan 0.000 0.491 148 P HA 0.245 nan 4.420 nan 0.000 0.271 148 P C -2.498 174.457 177.300 -0.576 0.000 1.216 148 P CA -0.972 61.427 63.100 -1.169 0.000 0.776 148 P CB -0.016 31.066 31.700 -1.031 0.000 0.881 149 P HA 0.175 nan 4.420 nan 0.000 0.274 149 P C -0.411 176.776 177.300 -0.187 0.000 1.237 149 P CA -0.161 62.804 63.100 -0.225 0.000 0.793 149 P CB 0.786 32.424 31.700 -0.103 0.000 0.977 150 L N 2.684 123.853 121.223 -0.090 0.000 2.371 150 L HA 0.323 4.663 4.340 -0.001 0.000 0.272 150 L C -1.587 175.268 176.870 -0.026 0.000 1.124 150 L CA -1.990 52.812 54.840 -0.063 0.000 0.816 150 L CB 0.261 42.299 42.059 -0.036 0.000 1.129 150 L HN 0.294 nan 8.230 nan 0.000 0.448 151 P HA 0.190 nan 4.420 nan 0.000 0.272 151 P C -2.667 174.643 177.300 0.017 0.000 1.240 151 P CA -1.354 61.743 63.100 -0.005 0.000 0.791 151 P CB -0.114 31.575 31.700 -0.020 0.000 0.978 152 P HA 0.267 nan 4.420 nan 0.000 0.276 152 P C -2.284 175.004 177.300 -0.020 0.000 1.244 152 P CA -1.754 61.357 63.100 0.018 0.000 0.801 152 P CB -1.086 30.634 31.700 0.034 0.000 1.006 153 P HA 0.067 nan 4.420 nan 0.000 0.271 153 P C 0.545 177.813 177.300 -0.053 0.000 1.233 153 P CA 0.159 63.222 63.100 -0.060 0.000 0.789 153 P CB 1.047 32.689 31.700 -0.096 0.000 0.951 154 E N 0.343 120.517 120.200 -0.045 0.000 2.057 154 E HA 0.210 4.560 4.350 -0.001 0.000 0.190 154 E C 0.611 177.186 176.600 -0.041 0.000 0.969 154 E CA 0.454 56.833 56.400 -0.036 0.000 0.812 154 E CB 0.010 29.694 29.700 -0.026 0.000 0.777 154 E HN 0.547 nan 8.360 nan 0.000 0.455 155 A N 0.835 123.630 122.820 -0.042 0.000 2.479 155 A HA 0.687 5.007 4.320 -0.001 0.000 0.296 155 A C -1.199 176.356 177.584 -0.050 0.000 1.121 155 A CA -0.656 51.356 52.037 -0.041 0.000 0.743 155 A CB 1.291 20.277 19.000 -0.023 0.000 1.323 155 A HN 0.098 nan 8.150 nan 0.000 0.415 156 L N 1.555 122.751 121.223 -0.046 0.000 2.342 156 L HA 0.540 4.879 4.340 -0.001 0.000 0.271 156 L C -2.122 174.748 176.870 -0.001 0.000 1.008 156 L CA -2.139 52.675 54.840 -0.043 0.000 0.818 156 L CB 2.460 44.478 42.059 -0.068 0.000 1.296 156 L HN 0.529 nan 8.230 nan 0.000 0.427 157 P HA 0.063 nan 4.420 nan 0.000 0.271 157 P C -0.916 176.413 177.300 0.048 0.000 1.216 157 P CA -0.534 62.579 63.100 0.023 0.000 0.776 157 P CB 0.718 32.429 31.700 0.018 0.000 0.881 158 K N 1.673 122.099 120.400 0.043 0.000 2.485 158 K HA 0.399 4.718 4.320 -0.001 0.000 0.277 158 K C 0.233 176.874 176.600 0.067 0.000 0.990 158 K CA 0.641 56.961 56.287 0.056 0.000 0.994 158 K CB -0.438 32.087 32.500 0.042 0.000 0.906 158 K HN 0.803 nan 8.250 nan 0.000 0.488 159 G N 3.635 112.489 108.800 0.090 0.000 2.608 159 G HA2 0.479 4.438 3.960 -0.001 0.000 0.291 159 G HA3 0.479 4.438 3.960 -0.001 0.000 0.291 159 G C -2.946 172.039 174.900 0.142 0.000 1.425 159 G CA -1.040 44.122 45.100 0.104 0.000 0.787 159 G HN 0.544 nan 8.290 nan 0.000 0.484 160 P HA 0.326 nan 4.420 nan 0.000 0.284 160 P C -0.777 176.730 177.300 0.345 0.000 1.253 160 P CA -0.204 63.033 63.100 0.228 0.000 0.800 160 P CB 2.048 33.904 31.700 0.261 0.000 0.961 161 E N 1.291 121.565 120.200 0.123 0.000 2.191 161 E HA 0.350 4.700 4.350 -0.001 0.000 0.278 161 E C -0.968 175.380 176.600 -0.420 0.000 0.972 161 E CA -0.457 55.917 56.400 -0.042 0.000 0.804 161 E CB 1.005 30.683 29.700 -0.037 0.000 1.110 161 E HN 0.324 nan 8.360 nan 0.000 0.394 162 E N 1.876 121.495 120.200 -0.969 0.000 2.356 162 E HA 0.633 4.982 4.350 -0.001 0.000 0.275 162 E C -1.119 175.083 176.600 -0.663 0.000 0.904 162 E CA 0.116 55.909 56.400 -1.011 0.000 0.757 162 E CB 1.864 30.489 29.700 -1.791 0.000 1.232 162 E HN 0.697 nan 8.360 nan 0.000 0.442 163 G N 2.452 111.004 108.800 -0.413 0.000 2.650 163 G HA2 0.088 4.047 3.960 -0.001 0.000 0.686 163 G HA3 0.088 4.047 3.960 -0.001 0.000 0.686 163 G C -1.274 173.533 174.900 -0.155 0.000 1.205 163 G CA -0.714 44.239 45.100 -0.246 0.000 0.781 163 G HN 0.414 nan 8.290 nan 0.000 0.648 164 E N -0.133 120.006 120.200 -0.102 0.000 2.207 164 E HA 0.638 4.987 4.350 -0.001 0.000 0.270 164 E C 0.170 176.744 176.600 -0.043 0.000 0.927 164 E CA -0.826 55.532 56.400 -0.070 0.000 0.799 164 E CB 1.860 31.525 29.700 -0.059 0.000 1.172 164 E HN 0.549 nan 8.360 nan 0.000 0.404 165 I N 3.421 123.970 120.570 -0.035 0.000 2.337 165 I HA 0.219 4.389 4.170 -0.001 0.000 0.285 165 I C -2.075 174.037 176.117 -0.007 0.000 1.041 165 I CA -1.964 59.325 61.300 -0.018 0.000 1.199 165 I CB 0.867 38.848 38.000 -0.032 0.000 1.370 165 I HN 0.067 nan 8.210 nan 0.000 0.470 166 P HA 0.126 nan 4.420 nan 0.000 0.268 166 P C -0.599 176.711 177.300 0.017 0.000 1.208 166 P CA -0.231 62.876 63.100 0.011 0.000 0.777 166 P CB 0.501 32.214 31.700 0.020 0.000 0.875 167 R N 2.360 122.870 120.500 0.016 0.000 2.215 167 R HA 0.319 4.659 4.340 -0.001 0.000 0.336 167 R C 0.024 176.342 176.300 0.030 0.000 0.996 167 R CA -0.317 55.797 56.100 0.022 0.000 0.847 167 R CB 1.090 31.400 30.300 0.016 0.000 1.127 167 R HN 0.565 nan 8.270 nan 0.000 0.465 168 E N 1.048 121.273 120.200 0.042 0.000 2.299 168 E HA 0.113 4.463 4.350 -0.001 0.000 0.265 168 E C -1.163 175.468 176.600 0.052 0.000 0.911 168 E CA -0.952 55.475 56.400 0.046 0.000 0.789 168 E CB 1.897 31.629 29.700 0.052 0.000 1.246 168 E HN 0.282 nan 8.360 nan 0.000 0.427 169 D N 2.386 122.814 120.400 0.046 0.000 2.339 169 D HA 0.108 4.748 4.640 -0.001 0.000 0.241 169 D C -1.496 174.837 176.300 0.055 0.000 1.183 169 D CA -2.282 51.746 54.000 0.047 0.000 0.859 169 D CB 1.125 41.947 40.800 0.037 0.000 1.067 169 D HN 0.109 nan 8.370 nan 0.000 0.484 170 P HA 0.038 nan 4.420 nan 0.000 0.223 170 P C 0.928 178.259 177.300 0.053 0.000 1.151 170 P CA 1.134 64.276 63.100 0.071 0.000 0.787 170 P CB 0.260 32.011 31.700 0.085 0.000 0.788 171 G N -0.481 108.346 108.800 0.045 0.000 2.179 171 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.260 171 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.260 171 G C -0.092 174.829 174.900 0.035 0.000 0.977 171 G CA 0.397 45.521 45.100 0.039 0.000 0.641 171 G HN 0.612 nan 8.290 nan 0.000 0.533 172 L N -4.604 116.639 121.223 0.034 0.000 2.940 172 L HA 0.843 5.183 4.340 -0.001 0.000 0.270 172 L C -3.005 173.879 176.870 0.024 0.000 1.030 172 L CA -2.727 52.129 54.840 0.028 0.000 0.928 172 L CB -0.033 42.037 42.059 0.018 0.000 1.506 172 L HN -0.129 nan 8.230 nan 0.000 0.405 173 P HA 0.513 nan 4.420 nan 0.000 0.282 173 P C -0.856 176.435 177.300 -0.015 0.000 1.274 173 P CA 0.077 63.186 63.100 0.015 0.000 0.770 173 P CB 0.552 32.263 31.700 0.019 0.000 0.867 174 L N 5.700 126.927 121.223 0.007 0.000 2.375 174 L HA 0.405 4.744 4.340 -0.001 0.000 0.271 174 L C -1.571 175.269 176.870 -0.051 0.000 1.107 174 L CA -2.068 52.751 54.840 -0.034 0.000 0.806 174 L CB -0.004 42.141 42.059 0.144 0.000 1.146 174 L HN 0.252 nan 8.230 nan 0.000 0.447 175 P HA -0.046 nan 4.420 nan 0.000 0.270 175 P C -0.546 176.871 177.300 0.196 0.000 1.227 175 P CA -0.395 62.660 63.100 -0.074 0.000 0.788 175 P CB 0.357 31.891 31.700 -0.277 0.000 0.926 176 E N 1.860 122.200 120.200 0.233 0.000 2.498 176 E HA 0.027 4.376 4.350 -0.001 0.000 0.252 176 E C -1.983 174.881 176.600 0.440 0.000 1.025 176 E CA -1.392 55.173 56.400 0.276 0.000 0.938 176 E CB -0.142 29.673 29.700 0.191 0.000 0.947 176 E HN 0.202 nan 8.360 nan 0.000 0.478 177 P HA 0.312 nan 4.420 nan 0.000 0.276 177 P C -0.378 177.015 177.300 0.155 0.000 1.244 177 P CA 0.028 63.254 63.100 0.210 0.000 0.801 177 P CB 1.207 32.912 31.700 0.007 0.000 1.006 178 G N 1.090 109.947 108.800 0.095 0.000 2.663 178 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.686 178 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.686 178 G C 0.611 175.519 174.900 0.014 0.000 1.246 178 G CA 0.095 45.214 45.100 0.031 0.000 0.795 178 G HN 0.645 nan 8.290 nan 0.000 0.627 179 E N -0.222 119.983 120.200 0.008 0.000 2.208 179 E HA -0.060 4.289 4.350 -0.001 0.000 0.193 179 E C 1.699 178.257 176.600 -0.071 0.000 0.988 179 E CA 1.218 57.622 56.400 0.007 0.000 0.828 179 E CB 0.018 29.819 29.700 0.168 0.000 0.763 179 E HN 0.671 nan 8.360 nan 0.000 0.478 180 E N 0.621 120.795 120.200 -0.044 0.000 2.077 180 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 180 E C 2.010 178.558 176.600 -0.086 0.000 0.989 180 E CA 1.143 57.509 56.400 -0.056 0.000 0.800 180 E CB -0.086 29.600 29.700 -0.024 0.000 0.746 180 E HN 0.423 nan 8.360 nan 0.000 0.452 181 A N 1.020 123.789 122.820 -0.085 0.000 1.929 181 A HA -0.021 4.298 4.320 -0.001 0.000 0.216 181 A C 2.313 179.722 177.584 -0.291 0.000 1.176 181 A CA 1.486 53.466 52.037 -0.095 0.000 0.628 181 A CB -0.523 18.503 19.000 0.043 0.000 0.816 181 A HN 0.367 nan 8.150 nan 0.000 0.444 182 A N 0.153 122.630 122.820 -0.572 0.000 1.845 182 A HA -0.081 4.239 4.320 -0.001 0.000 0.215 182 A C 2.156 179.505 177.584 -0.390 0.000 1.195 182 A CA 1.571 53.088 52.037 -0.866 0.000 0.616 182 A CB -0.793 17.718 19.000 -0.814 0.000 0.832 182 A HN 0.460 nan 8.150 nan 0.000 0.443 183 L N -0.665 120.395 121.223 -0.272 0.000 2.042 183 L HA -0.236 4.104 4.340 -0.001 0.000 0.210 183 L C 3.094 179.892 176.870 -0.121 0.000 1.076 183 L CA 1.132 55.859 54.840 -0.188 0.000 0.749 183 L CB -0.645 41.295 42.059 -0.198 0.000 0.893 183 L HN 0.460 nan 8.230 nan 0.000 0.432 184 A N 0.386 123.139 122.820 -0.113 0.000 1.908 184 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 184 A C 2.415 179.970 177.584 -0.049 0.000 1.181 184 A CA 1.879 53.877 52.037 -0.065 0.000 0.627 184 A CB -1.249 17.723 19.000 -0.048 0.000 0.818 184 A HN 0.456 nan 8.150 nan 0.000 0.445 185 G N -0.459 108.297 108.800 -0.073 0.000 2.408 185 G HA2 -0.066 3.893 3.960 -0.001 0.000 0.217 185 G HA3 -0.066 3.893 3.960 -0.001 0.000 0.217 185 G C 1.472 176.383 174.900 0.020 0.000 1.150 185 G CA 1.091 46.179 45.100 -0.020 0.000 0.776 185 G HN 0.496 nan 8.290 nan 0.000 0.542 186 L N 0.439 121.655 121.223 -0.011 0.000 2.017 186 L HA 0.098 4.437 4.340 -0.001 0.000 0.208 186 L C 2.701 179.598 176.870 0.045 0.000 1.073 186 L CA 1.744 56.616 54.840 0.054 0.000 0.745 186 L CB -0.488 41.604 42.059 0.055 0.000 0.894 186 L HN 0.082 nan 8.230 nan 0.000 0.432 187 R N -0.740 119.761 120.500 0.003 0.000 2.081 187 R HA -0.104 4.235 4.340 -0.001 0.000 0.235 187 R C 2.166 178.447 176.300 -0.031 0.000 1.131 187 R CA 1.285 57.375 56.100 -0.017 0.000 0.960 187 R CB -0.465 29.821 30.300 -0.023 0.000 0.856 187 R HN 0.565 nan 8.270 nan 0.000 0.436 188 A N 0.375 123.189 122.820 -0.010 0.000 1.898 188 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 188 A C 1.907 179.474 177.584 -0.027 0.000 1.181 188 A CA 1.104 53.132 52.037 -0.014 0.000 0.620 188 A CB -0.623 18.383 19.000 0.009 0.000 0.819 188 A HN 0.431 nan 8.150 nan 0.000 0.442 189 F N 0.706 120.582 119.950 -0.122 0.000 2.146 189 F HA -0.094 4.432 4.527 -0.001 0.000 0.298 189 F C 1.789 177.441 175.800 -0.246 0.000 1.096 189 F CA 1.608 59.501 58.000 -0.179 0.000 1.275 189 F CB -0.259 38.603 39.000 -0.231 0.000 1.008 189 F HN 0.123 nan 8.300 nan 0.000 0.480 190 L N 0.025 121.020 121.223 -0.380 0.000 2.201 190 L HA -0.140 4.200 4.340 -0.001 0.000 0.212 190 L C 2.428 179.078 176.870 -0.366 0.000 1.105 190 L CA 0.976 55.534 54.840 -0.470 0.000 0.775 190 L CB -0.684 41.241 42.059 -0.224 0.000 0.913 190 L HN 0.186 nan 8.230 nan 0.000 0.440 191 E N 0.330 120.381 120.200 -0.249 0.000 2.021 191 E HA -0.100 4.250 4.350 -0.001 0.000 0.189 191 E C 2.289 178.769 176.600 -0.200 0.000 0.980 191 E CA 1.366 57.659 56.400 -0.177 0.000 0.803 191 E CB -0.133 29.502 29.700 -0.109 0.000 0.766 191 E HN 0.418 nan 8.360 nan 0.000 0.449 192 A N 1.136 123.833 122.820 -0.204 0.000 1.874 192 A HA -0.061 4.258 4.320 -0.001 0.000 0.214 192 A C 2.021 179.481 177.584 -0.208 0.000 1.189 192 A CA 1.362 53.305 52.037 -0.158 0.000 0.615 192 A CB -0.066 18.879 19.000 -0.091 0.000 0.830 192 A HN 0.040 nan 8.150 nan 0.000 0.443 193 K N -1.343 118.836 120.400 -0.369 0.000 2.335 193 K HA 0.243 4.562 4.320 -0.001 0.000 0.195 193 K C 1.658 177.984 176.600 -0.458 0.000 1.058 193 K CA 0.122 56.207 56.287 -0.337 0.000 0.988 193 K CB 0.038 32.426 32.500 -0.186 0.000 0.880 193 K HN 0.275 nan 8.250 nan 0.000 0.513 194 L N 2.205 122.941 121.223 -0.813 0.000 2.013 194 L HA -0.121 4.218 4.340 -0.001 0.000 0.212 194 L C -1.328 175.437 176.870 -0.175 0.000 1.073 194 L CA 2.006 56.477 54.840 -0.616 0.000 0.753 194 L CB -0.879 40.794 42.059 -0.643 0.000 0.890 194 L HN 0.013 nan 8.230 nan 0.000 0.432 195 P HA -0.189 nan 4.420 nan 0.000 0.217 195 P C 0.870 178.168 177.300 -0.003 0.000 1.151 195 P CA 1.594 64.658 63.100 -0.060 0.000 0.849 195 P CB -0.068 31.589 31.700 -0.072 0.000 0.787 196 R N -2.615 117.887 120.500 0.003 0.000 2.507 196 R HA 0.146 4.485 4.340 -0.001 0.000 0.298 196 R C 1.509 177.844 176.300 0.058 0.000 0.999 196 R CA -0.244 55.870 56.100 0.024 0.000 1.082 196 R CB -0.800 29.503 30.300 0.005 0.000 1.246 196 R HN 0.300 nan 8.270 nan 0.000 0.553 197 Y N 1.667 121.981 120.300 0.022 0.000 2.165 197 Y HA -0.225 4.324 4.550 -0.001 0.000 0.286 197 Y C 2.112 178.077 175.900 0.109 0.000 1.155 197 Y CA 1.710 59.878 58.100 0.113 0.000 1.164 197 Y CB -0.042 38.539 38.460 0.202 0.000 0.978 197 Y HN 0.105 nan 8.280 nan 0.000 0.513 198 A N -0.170 122.640 122.820 -0.017 0.000 2.019 198 A HA -0.148 4.171 4.320 -0.001 0.000 0.219 198 A C 1.872 179.382 177.584 -0.124 0.000 1.164 198 A CA 1.877 53.868 52.037 -0.077 0.000 0.644 198 A CB -0.490 18.540 19.000 0.049 0.000 0.805 198 A HN 0.548 nan 8.150 nan 0.000 0.449 199 E N -0.602 119.549 120.200 -0.081 0.000 2.400 199 E HA 0.036 4.385 4.350 -0.001 0.000 0.195 199 E C 1.095 177.651 176.600 -0.072 0.000 1.012 199 E CA 0.582 56.948 56.400 -0.056 0.000 0.875 199 E CB 0.302 29.990 29.700 -0.021 0.000 0.859 199 E HN 0.531 nan 8.360 nan 0.000 0.498 200 E N -0.317 119.812 120.200 -0.118 0.000 2.641 200 E HA 0.075 4.424 4.350 -0.001 0.000 0.224 200 E C 1.193 177.708 176.600 -0.141 0.000 0.951 200 E CA 0.028 56.379 56.400 -0.081 0.000 1.102 200 E CB 0.546 30.239 29.700 -0.012 0.000 1.091 200 E HN 0.268 nan 8.360 nan 0.000 0.507 201 R N 0.498 120.809 120.500 -0.315 0.000 2.276 201 R HA 0.091 4.430 4.340 -0.001 0.000 0.203 201 R C 0.560 176.706 176.300 -0.258 0.000 1.017 201 R CA 0.796 56.670 56.100 -0.376 0.000 1.010 201 R CB 0.096 29.900 30.300 -0.827 0.000 0.900 201 R HN -0.187 nan 8.270 nan 0.000 0.469 202 D N 1.230 121.483 120.400 -0.245 0.000 2.388 202 D HA 0.090 4.730 4.640 -0.001 0.000 0.221 202 D C -0.264 175.839 176.300 -0.327 0.000 1.133 202 D CA -0.098 53.699 54.000 -0.339 0.000 0.831 202 D CB 0.325 40.899 40.800 -0.377 0.000 0.962 202 D HN 0.179 nan 8.370 nan 0.000 0.502 203 R N 0.530 120.921 120.500 -0.182 0.000 2.570 203 R HA 0.144 4.484 4.340 -0.001 0.000 0.277 203 R C 1.630 177.746 176.300 -0.307 0.000 1.039 203 R CA -0.159 55.849 56.100 -0.154 0.000 1.065 203 R CB 1.187 31.440 30.300 -0.078 0.000 0.964 203 R HN 0.049 nan 8.270 nan 0.000 0.428 204 L N 1.972 122.947 121.223 -0.413 0.000 2.201 204 L HA -0.192 4.147 4.340 -0.001 0.000 0.212 204 L C 1.686 177.910 176.870 -1.075 0.000 1.105 204 L CA 1.213 55.553 54.840 -0.834 0.000 0.775 204 L CB -0.279 41.146 42.059 -1.056 0.000 0.913 204 L HN 0.754 nan 8.230 nan 0.000 0.440 205 D N -0.653 119.361 120.400 -0.643 0.000 2.355 205 D HA -0.040 4.599 4.640 -0.001 0.000 0.218 205 D C 1.510 177.820 176.300 0.016 0.000 1.004 205 D CA 0.816 54.672 54.000 -0.241 0.000 0.880 205 D CB -0.181 40.728 40.800 0.181 0.000 0.911 205 D HN 0.197 nan 8.370 nan 0.000 0.528 206 G N 0.578 109.352 108.800 -0.044 0.000 2.168 206 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.257 206 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.257 206 G C 0.796 175.793 174.900 0.161 0.000 0.997 206 G CA 0.435 45.595 45.100 0.099 0.000 0.708 206 G HN 0.373 nan 8.290 nan 0.000 0.520 207 E N -0.229 120.043 120.200 0.120 0.000 2.478 207 E HA 0.099 4.448 4.350 -0.001 0.000 0.194 207 E C 2.354 179.044 176.600 0.151 0.000 1.045 207 E CA 0.738 57.218 56.400 0.134 0.000 0.868 207 E CB -0.123 29.649 29.700 0.121 0.000 0.885 207 E HN 0.552 nan 8.360 nan 0.000 0.505 208 G N 0.820 109.708 108.800 0.146 0.000 2.744 208 G HA2 0.037 3.996 3.960 -0.001 0.000 0.211 208 G HA3 0.037 3.996 3.960 -0.001 0.000 0.211 208 G C 0.821 175.976 174.900 0.424 0.000 1.143 208 G CA 0.512 45.732 45.100 0.201 0.000 0.788 208 G HN 0.237 nan 8.290 nan 0.000 0.534 209 G N -0.450 108.581 108.800 0.385 0.000 2.552 209 G HA2 0.396 4.356 3.960 -0.001 0.000 0.318 209 G HA3 0.396 4.356 3.960 -0.001 0.000 0.318 209 G C 1.169 176.172 174.900 0.171 0.000 1.240 209 G CA 0.597 45.967 45.100 0.449 0.000 1.002 209 G HN 0.293 nan 8.290 nan 0.000 0.493 210 S N -1.366 114.182 115.700 -0.253 0.000 2.470 210 S HA 0.008 4.477 4.470 -0.001 0.000 0.225 210 S C 1.333 175.898 174.600 -0.058 0.000 1.006 210 S CA 0.595 58.513 58.200 -0.471 0.000 0.934 210 S CB -0.128 62.620 63.200 -0.754 0.000 0.778 210 S HN 0.684 nan 8.310 nan 0.000 0.517 211 R N -0.041 120.471 120.500 0.019 0.000 3.525 211 R HA -0.115 4.225 4.340 -0.001 0.000 0.276 211 R C -0.038 176.281 176.300 0.032 0.000 1.116 211 R CA 0.839 56.888 56.100 -0.085 0.000 0.745 211 R CB -2.215 27.912 30.300 -0.288 0.000 1.185 211 R HN 0.506 nan 8.270 nan 0.000 0.454 212 L N -0.722 120.604 121.223 0.171 0.000 2.607 212 L HA 0.020 4.359 4.340 -0.001 0.000 0.228 212 L C 2.148 179.171 176.870 0.255 0.000 1.123 212 L CA 0.687 55.656 54.840 0.215 0.000 0.890 212 L CB 0.229 42.331 42.059 0.072 0.000 1.103 212 L HN 0.307 nan 8.230 nan 0.000 0.468 213 S N 0.578 116.498 115.700 0.365 0.000 2.380 213 S HA -0.125 4.344 4.470 -0.001 0.000 0.229 213 S C -0.582 174.200 174.600 0.304 0.000 1.043 213 S CA 1.076 59.529 58.200 0.421 0.000 1.038 213 S CB -1.761 61.651 63.200 0.354 0.000 0.872 213 S HN 0.254 nan 8.310 nan 0.000 0.456 214 P HA -0.016 nan 4.420 nan 0.000 0.220 214 P C 0.819 178.312 177.300 0.323 0.000 1.148 214 P CA 1.054 64.189 63.100 0.058 0.000 0.803 214 P CB -0.227 31.163 31.700 -0.517 0.000 0.782 215 Y N -2.051 118.454 120.300 0.341 0.000 2.184 215 Y HA -0.070 4.480 4.550 -0.001 0.000 0.290 215 Y C 2.263 178.250 175.900 0.145 0.000 1.129 215 Y CA 0.828 59.051 58.100 0.205 0.000 1.144 215 Y CB -1.262 37.187 38.460 -0.018 0.000 0.995 215 Y HN -0.145 nan 8.280 nan 0.000 0.513 216 F N -0.132 120.050 119.950 0.388 0.000 2.120 216 F HA -0.315 4.211 4.527 -0.001 0.000 0.300 216 F C 2.527 178.492 175.800 0.275 0.000 1.095 216 F CA 0.816 58.987 58.000 0.284 0.000 1.249 216 F CB -0.527 38.608 39.000 0.225 0.000 0.995 216 F HN 0.041 nan 8.300 nan 0.000 0.480 217 A N -0.211 122.892 122.820 0.471 0.000 2.019 217 A HA -0.099 4.220 4.320 -0.001 0.000 0.219 217 A C 1.897 179.690 177.584 0.349 0.000 1.164 217 A CA 1.224 53.498 52.037 0.396 0.000 0.644 217 A CB -0.754 18.470 19.000 0.373 0.000 0.805 217 A HN 0.452 nan 8.150 nan 0.000 0.449 218 L N -1.480 119.944 121.223 0.334 0.000 2.728 218 L HA 0.269 4.608 4.340 -0.001 0.000 0.238 218 L C 1.465 178.456 176.870 0.203 0.000 1.143 218 L CA 0.349 55.345 54.840 0.259 0.000 0.937 218 L CB -0.090 42.057 42.059 0.148 0.000 1.225 218 L HN 0.523 nan 8.230 nan 0.000 0.507 219 G N 0.320 109.257 108.800 0.228 0.000 2.179 219 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.257 219 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.257 219 G C 0.745 175.722 174.900 0.130 0.000 1.010 219 G CA 0.520 45.723 45.100 0.171 0.000 0.736 219 G HN 0.191 nan 8.290 nan 0.000 0.513 220 V N -0.529 119.481 119.914 0.160 0.000 2.809 220 V HA 0.230 4.350 4.120 -0.001 0.000 0.256 220 V C 1.437 177.641 176.094 0.183 0.000 1.080 220 V CA 1.556 63.940 62.300 0.141 0.000 1.102 220 V CB 0.052 32.002 31.823 0.211 0.000 0.705 220 V HN 0.477 nan 8.190 nan 0.000 0.475 221 L N 0.196 121.529 121.223 0.183 0.000 2.409 221 L HA 0.434 4.773 4.340 -0.001 0.000 0.272 221 L C 0.007 177.090 176.870 0.355 0.000 0.980 221 L CA -0.210 54.777 54.840 0.244 0.000 0.826 221 L CB 2.088 44.058 42.059 -0.148 0.000 1.268 221 L HN 0.126 nan 8.230 nan 0.000 0.407 222 S N 5.459 121.419 115.700 0.433 0.000 2.533 222 S HA 0.228 4.697 4.470 -0.001 0.000 0.282 222 S C -1.378 173.488 174.600 0.444 0.000 1.304 222 S CA -1.000 57.385 58.200 0.307 0.000 1.063 222 S CB 0.958 64.292 63.200 0.224 0.000 0.881 222 S HN 0.518 nan 8.310 nan 0.000 0.493 223 P HA -0.086 nan 4.420 nan 0.000 0.219 223 P C 1.383 178.804 177.300 0.202 0.000 1.150 223 P CA 0.688 63.919 63.100 0.218 0.000 0.814 223 P CB 0.070 31.772 31.700 0.002 0.000 0.787 224 R N 0.210 120.819 120.500 0.181 0.000 2.073 224 R HA -0.097 4.243 4.340 -0.001 0.000 0.234 224 R C 2.509 178.979 176.300 0.284 0.000 1.134 224 R CA 1.114 57.338 56.100 0.207 0.000 0.952 224 R CB -1.078 29.301 30.300 0.132 0.000 0.850 224 R HN 0.107 nan 8.270 nan 0.000 0.433 225 L N 0.304 121.693 121.223 0.278 0.000 2.012 225 L HA -0.136 4.204 4.340 -0.001 0.000 0.210 225 L C 2.404 179.504 176.870 0.383 0.000 1.073 225 L CA 1.843 56.867 54.840 0.307 0.000 0.748 225 L CB -0.421 41.806 42.059 0.280 0.000 0.891 225 L HN 0.358 nan 8.230 nan 0.000 0.431 226 A N -0.233 122.836 122.820 0.416 0.000 1.877 226 A HA -0.174 4.145 4.320 -0.001 0.000 0.216 226 A C 2.442 180.326 177.584 0.499 0.000 1.186 226 A CA 1.796 54.142 52.037 0.516 0.000 0.620 226 A CB -1.108 18.318 19.000 0.711 0.000 0.822 226 A HN 0.590 nan 8.150 nan 0.000 0.443 227 A N -1.209 121.837 122.820 0.376 0.000 1.877 227 A HA -0.197 4.122 4.320 -0.001 0.000 0.216 227 A C 2.123 179.916 177.584 0.350 0.000 1.186 227 A CA 1.475 53.711 52.037 0.331 0.000 0.620 227 A CB -0.989 18.177 19.000 0.276 0.000 0.822 227 A HN 0.867 nan 8.150 nan 0.000 0.443 228 W N 1.192 122.613 121.300 0.201 0.000 2.335 228 W HA -0.183 4.476 4.660 -0.002 0.000 0.311 228 W C 1.797 178.398 176.519 0.137 0.000 1.213 228 W CA 2.163 59.598 57.345 0.150 0.000 1.274 228 W CB -0.320 29.214 29.460 0.123 0.000 1.148 228 W HN 0.542 nan 8.180 nan 0.000 0.498 229 E N 0.251 120.624 120.200 0.289 0.000 2.072 229 E HA -0.163 4.186 4.350 -0.001 0.000 0.191 229 E C 2.369 179.002 176.600 0.055 0.000 0.985 229 E CA 1.307 57.794 56.400 0.145 0.000 0.801 229 E CB -0.550 29.276 29.700 0.210 0.000 0.750 229 E HN 0.263 nan 8.360 nan 0.000 0.452 230 A N 1.674 124.592 122.820 0.162 0.000 1.933 230 A HA -0.219 4.100 4.320 -0.001 0.000 0.218 230 A C 1.928 179.540 177.584 0.046 0.000 1.175 230 A CA 1.406 53.525 52.037 0.138 0.000 0.628 230 A CB -0.384 18.838 19.000 0.371 0.000 0.814 230 A HN 0.170 nan 8.150 nan 0.000 0.444 231 E N -0.623 119.581 120.200 0.008 0.000 2.150 231 E HA -0.122 4.227 4.350 -0.001 0.000 0.193 231 E C 2.245 178.728 176.600 -0.195 0.000 0.985 231 E CA 0.647 56.999 56.400 -0.079 0.000 0.814 231 E CB -0.123 29.526 29.700 -0.084 0.000 0.752 231 E HN 0.484 nan 8.360 nan 0.000 0.466 232 R N 0.424 120.745 120.500 -0.299 0.000 2.115 232 R HA 0.002 4.341 4.340 -0.001 0.000 0.230 232 R C 2.320 178.533 176.300 -0.144 0.000 1.111 232 R CA 0.537 56.469 56.100 -0.280 0.000 0.976 232 R CB 0.003 30.109 30.300 -0.322 0.000 0.870 232 R HN 0.026 nan 8.270 nan 0.000 0.445 233 R N 0.335 120.773 120.500 -0.104 0.000 2.062 233 R HA -0.008 4.331 4.340 -0.001 0.000 0.229 233 R C 1.041 177.300 176.300 -0.068 0.000 1.128 233 R CA 1.134 57.186 56.100 -0.079 0.000 0.960 233 R CB -0.554 29.697 30.300 -0.082 0.000 0.855 233 R HN 0.365 nan 8.270 nan 0.000 0.432 234 G N -0.825 107.943 108.800 -0.052 0.000 2.697 234 G HA2 -0.042 3.918 3.960 -0.001 0.000 0.240 234 G HA3 -0.042 3.918 3.960 -0.001 0.000 0.240 234 G C 0.137 175.023 174.900 -0.023 0.000 1.346 234 G CA 0.062 45.144 45.100 -0.032 0.000 0.887 234 G HN 0.817 nan 8.290 nan 0.000 0.569 235 G N -1.841 106.952 108.800 -0.011 0.000 2.710 235 G HA2 0.277 4.236 3.960 -0.001 0.000 0.668 235 G HA3 0.277 4.236 3.960 -0.001 0.000 0.668 235 G C 0.663 175.578 174.900 0.025 0.000 1.320 235 G CA 0.969 46.067 45.100 -0.002 0.000 0.860 235 G HN 1.919 nan 8.290 nan 0.000 0.538 236 E N -0.187 120.032 120.200 0.032 0.000 2.047 236 E HA -0.038 4.312 4.350 -0.001 0.000 0.191 236 E C 2.556 179.219 176.600 0.106 0.000 0.987 236 E CA 1.732 58.168 56.400 0.060 0.000 0.799 236 E CB -0.792 28.938 29.700 0.049 0.000 0.752 236 E HN 1.073 nan 8.360 nan 0.000 0.449 237 G N 0.944 109.808 108.800 0.108 0.000 2.475 237 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.220 237 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.220 237 G C 1.671 176.704 174.900 0.221 0.000 1.125 237 G CA 1.158 46.378 45.100 0.199 0.000 0.755 237 G HN 0.448 nan 8.290 nan 0.000 0.565 238 A N 0.935 123.834 122.820 0.131 0.000 1.883 238 A HA -0.089 4.230 4.320 -0.001 0.000 0.217 238 A C 2.508 180.219 177.584 0.211 0.000 1.186 238 A CA 1.701 53.829 52.037 0.152 0.000 0.624 238 A CB -0.354 18.695 19.000 0.080 0.000 0.822 238 A HN 0.309 nan 8.150 nan 0.000 0.444 239 R N -0.633 119.969 120.500 0.171 0.000 2.092 239 R HA -0.105 4.234 4.340 -0.001 0.000 0.231 239 R C 2.143 178.566 176.300 0.205 0.000 1.119 239 R CA 1.601 57.801 56.100 0.167 0.000 0.970 239 R CB -0.429 29.948 30.300 0.127 0.000 0.864 239 R HN 0.500 nan 8.270 nan 0.000 0.440 240 K N 0.169 120.720 120.400 0.251 0.000 2.103 240 K HA -0.149 4.170 4.320 -0.001 0.000 0.204 240 K C 1.684 178.513 176.600 0.381 0.000 1.052 240 K CA 0.981 57.452 56.287 0.307 0.000 0.945 240 K CB -0.359 32.342 32.500 0.335 0.000 0.722 240 K HN 0.144 nan 8.250 nan 0.000 0.443 241 W N -0.001 121.372 121.300 0.123 0.000 2.418 241 W HA -0.038 4.621 4.660 -0.000 0.000 0.292 241 W C 1.506 178.000 176.519 -0.042 0.000 1.213 241 W CA 0.917 58.164 57.345 -0.163 0.000 1.283 241 W CB -0.171 29.107 29.460 -0.303 0.000 1.119 241 W HN -0.137 nan 8.180 nan 0.000 0.542 242 V N 1.258 121.262 119.914 0.150 0.000 2.515 242 V HA -0.272 3.848 4.120 -0.001 0.000 0.250 242 V C 2.487 178.533 176.094 -0.081 0.000 1.058 242 V CA 1.889 64.184 62.300 -0.008 0.000 1.064 242 V CB -1.617 30.284 31.823 0.130 0.000 0.675 242 V HN 0.261 nan 8.190 nan 0.000 0.461 243 A N -0.181 122.669 122.820 0.049 0.000 1.948 243 A HA -0.235 4.085 4.320 -0.001 0.000 0.220 243 A C 2.199 179.866 177.584 0.137 0.000 1.177 243 A CA 1.861 53.978 52.037 0.133 0.000 0.636 243 A CB -0.348 18.782 19.000 0.216 0.000 0.815 243 A HN 0.547 nan 8.150 nan 0.000 0.449 244 E N 0.089 120.283 120.200 -0.009 0.000 2.072 244 E HA -0.076 4.274 4.350 -0.001 0.000 0.190 244 E C 2.075 178.560 176.600 -0.192 0.000 0.982 244 E CA 0.836 57.188 56.400 -0.079 0.000 0.803 244 E CB -0.543 29.055 29.700 -0.169 0.000 0.755 244 E HN 0.702 nan 8.360 nan 0.000 0.453 245 L N 0.610 121.578 121.223 -0.424 0.000 2.081 245 L HA -0.190 4.149 4.340 -0.001 0.000 0.212 245 L C 2.600 179.342 176.870 -0.212 0.000 1.080 245 L CA 0.979 55.547 54.840 -0.453 0.000 0.754 245 L CB -0.569 41.160 42.059 -0.550 0.000 0.893 245 L HN 0.089 nan 8.230 nan 0.000 0.433 246 L N -1.911 119.237 121.223 -0.126 0.000 2.201 246 L HA -0.183 4.157 4.340 -0.001 0.000 0.212 246 L C 2.355 179.336 176.870 0.186 0.000 1.105 246 L CA 1.154 55.987 54.840 -0.011 0.000 0.775 246 L CB -0.361 41.641 42.059 -0.096 0.000 0.913 246 L HN 0.349 nan 8.230 nan 0.000 0.440 247 W N 0.159 121.486 121.300 0.044 0.000 2.374 247 W HA -0.162 4.497 4.660 -0.001 0.000 0.288 247 W C 2.796 179.280 176.519 -0.058 0.000 1.218 247 W CA 1.107 58.456 57.345 0.006 0.000 1.245 247 W CB -0.161 29.151 29.460 -0.247 0.000 1.126 247 W HN 0.053 nan 8.180 nan 0.000 0.545 248 R N 0.448 120.973 120.500 0.041 0.000 2.070 248 R HA -0.175 4.164 4.340 -0.001 0.000 0.233 248 R C 1.713 177.838 176.300 -0.292 0.000 1.137 248 R CA 2.131 58.127 56.100 -0.173 0.000 0.945 248 R CB -0.568 29.630 30.300 -0.169 0.000 0.845 248 R HN 0.006 nan 8.270 nan 0.000 0.430 249 D N -0.164 120.244 120.400 0.014 0.000 2.149 249 D HA -0.186 4.453 4.640 -0.001 0.000 0.198 249 D C 1.531 177.895 176.300 0.107 0.000 0.990 249 D CA 0.918 55.033 54.000 0.192 0.000 0.839 249 D CB -0.285 40.706 40.800 0.318 0.000 0.948 249 D HN 0.178 nan 8.370 nan 0.000 0.460 250 F N 1.684 121.504 119.950 -0.216 0.000 2.171 250 F HA -0.176 4.350 4.527 -0.001 0.000 0.300 250 F C 2.301 177.898 175.800 -0.340 0.000 1.090 250 F CA 1.038 58.620 58.000 -0.696 0.000 1.293 250 F CB -0.319 38.280 39.000 -0.668 0.000 1.013 250 F HN -0.166 nan 8.300 nan 0.000 0.486 251 S N -0.371 115.153 115.700 -0.293 0.000 2.356 251 S HA -0.217 4.253 4.470 -0.001 0.000 0.223 251 S C 1.918 176.394 174.600 -0.207 0.000 1.032 251 S CA 1.609 59.613 58.200 -0.327 0.000 1.005 251 S CB -0.928 62.089 63.200 -0.305 0.000 0.867 251 S HN 0.572 nan 8.310 nan 0.000 0.449 252 Y N 0.747 121.048 120.300 0.003 0.000 2.181 252 Y HA -0.235 4.314 4.550 -0.001 0.000 0.288 252 Y C 2.660 178.577 175.900 0.028 0.000 1.146 252 Y CA 1.454 59.575 58.100 0.034 0.000 1.164 252 Y CB -0.630 37.864 38.460 0.057 0.000 0.982 252 Y HN 0.386 nan 8.280 nan 0.000 0.515 253 H N 0.457 119.550 119.070 0.037 0.000 2.353 253 H HA -0.186 4.369 4.556 -0.001 0.000 0.298 253 H C 1.934 177.303 175.328 0.068 0.000 1.103 253 H CA 2.082 58.161 56.048 0.050 0.000 1.293 253 H CB -0.365 29.263 29.762 -0.223 0.000 1.372 253 H HN 0.257 nan 8.280 nan 0.000 0.501 254 L N -0.795 120.339 121.223 -0.148 0.000 2.044 254 L HA -0.107 4.233 4.340 -0.001 0.000 0.205 254 L C 2.397 179.228 176.870 -0.066 0.000 1.075 254 L CA 0.762 55.523 54.840 -0.132 0.000 0.747 254 L CB -0.336 41.523 42.059 -0.333 0.000 0.903 254 L HN 0.307 nan 8.230 nan 0.000 0.435 255 L N -1.068 120.125 121.223 -0.050 0.000 2.083 255 L HA -0.253 4.087 4.340 -0.001 0.000 0.209 255 L C 2.378 179.204 176.870 -0.073 0.000 1.083 255 L CA 1.693 56.512 54.840 -0.035 0.000 0.752 255 L CB -0.737 41.357 42.059 0.058 0.000 0.899 255 L HN 0.170 nan 8.230 nan 0.000 0.433 256 Y N -0.309 119.901 120.300 -0.149 0.000 2.097 256 Y HA -0.316 4.234 4.550 -0.001 0.000 0.282 256 Y C 2.525 178.132 175.900 -0.488 0.000 1.152 256 Y CA 2.380 60.316 58.100 -0.273 0.000 1.136 256 Y CB -0.255 38.026 38.460 -0.298 0.000 0.975 256 Y HN 0.405 nan 8.280 nan 0.000 0.498 257 H N -2.264 116.473 119.070 -0.555 0.000 2.512 257 H HA 0.135 4.691 4.556 -0.001 0.000 0.279 257 H C -0.193 174.500 175.328 -1.059 0.000 0.999 257 H CA 1.144 56.651 56.048 -0.902 0.000 1.283 257 H CB -0.089 28.918 29.762 -1.258 0.000 1.421 257 H HN 0.239 nan 8.280 nan 0.000 0.554 258 F N -0.045 119.690 119.950 -0.359 0.000 2.542 258 F HA 0.286 4.812 4.527 -0.001 0.000 0.323 258 F C -1.912 173.374 175.800 -0.857 0.000 1.411 258 F CA -1.979 55.547 58.000 -0.790 0.000 1.124 258 F CB 1.569 40.026 39.000 -0.905 0.000 1.331 258 F HN -0.023 nan 8.300 nan 0.000 0.560 259 P HA -0.170 nan 4.420 nan 0.000 0.220 259 P C 1.553 178.801 177.300 -0.087 0.000 1.148 259 P CA 1.348 64.335 63.100 -0.189 0.000 0.803 259 P CB -0.104 31.541 31.700 -0.093 0.000 0.782 260 W N 0.636 121.993 121.300 0.095 0.000 2.825 260 W HA 0.064 4.724 4.660 -0.001 0.000 0.243 260 W C 1.476 178.077 176.519 0.135 0.000 1.293 260 W CA 0.376 57.783 57.345 0.103 0.000 1.403 260 W CB -1.696 27.821 29.460 0.096 0.000 1.134 260 W HN 0.047 nan 8.180 nan 0.000 0.666 261 M N 0.991 120.492 119.600 -0.166 0.000 2.549 261 M HA 0.230 4.709 4.480 -0.001 0.000 0.260 261 M C 1.947 178.348 176.300 0.170 0.000 1.076 261 M CA 1.917 57.190 55.300 -0.045 0.000 1.090 261 M CB -0.633 31.775 32.600 -0.320 0.000 1.418 261 M HN -0.108 nan 8.290 nan 0.000 0.486 262 A N 0.545 123.467 122.820 0.171 0.000 2.209 262 A HA -0.056 4.263 4.320 -0.001 0.000 0.212 262 A C 2.043 179.806 177.584 0.299 0.000 1.158 262 A CA 1.392 53.573 52.037 0.239 0.000 0.742 262 A CB -0.537 18.545 19.000 0.137 0.000 0.790 262 A HN 0.745 nan 8.150 nan 0.000 0.472 263 E N -0.635 119.770 120.200 0.343 0.000 2.330 263 E HA 0.059 4.408 4.350 -0.001 0.000 0.200 263 E C 0.303 177.171 176.600 0.448 0.000 0.922 263 E CA 0.011 56.586 56.400 0.291 0.000 0.935 263 E CB 0.344 30.184 29.700 0.235 0.000 0.917 263 E HN 0.741 nan 8.360 nan 0.000 0.491 264 R N -0.087 120.766 120.500 0.588 0.000 2.692 264 R HA 0.458 4.797 4.340 -0.001 0.000 0.269 264 R C -3.141 173.410 176.300 0.419 0.000 1.030 264 R CA -2.060 54.386 56.100 0.575 0.000 0.882 264 R CB 0.773 31.314 30.300 0.402 0.000 1.250 264 R HN -0.266 nan 8.270 nan 0.000 0.465 265 P HA -0.023 nan 4.420 nan 0.000 0.266 265 P C 0.723 178.156 177.300 0.222 0.000 1.193 265 P CA -0.142 62.991 63.100 0.054 0.000 0.770 265 P CB 0.573 32.346 31.700 0.121 0.000 0.836 266 L N 0.870 122.133 121.223 0.066 0.000 2.042 266 L HA -0.143 4.196 4.340 -0.001 0.000 0.210 266 L C 1.002 177.980 176.870 0.181 0.000 1.076 266 L CA 1.500 56.396 54.840 0.094 0.000 0.749 266 L CB -0.308 41.652 42.059 -0.164 0.000 0.893 266 L HN 0.465 nan 8.230 nan 0.000 0.432 267 D N 0.116 120.584 120.400 0.113 0.000 2.336 267 D HA 0.052 4.692 4.640 -0.001 0.000 0.249 267 D C -1.525 174.901 176.300 0.210 0.000 1.213 267 D CA -2.264 51.832 54.000 0.159 0.000 0.870 267 D CB 1.235 42.146 40.800 0.185 0.000 1.076 267 D HN 0.033 nan 8.370 nan 0.000 0.483 268 P HA -0.099 nan 4.420 nan 0.000 0.225 268 P C 0.895 178.239 177.300 0.075 0.000 1.148 268 P CA 0.528 63.679 63.100 0.084 0.000 0.779 268 P CB 0.461 32.167 31.700 0.010 0.000 0.780 269 R N -1.133 119.425 120.500 0.095 0.000 2.148 269 R HA -0.001 4.338 4.340 -0.001 0.000 0.227 269 R C 1.623 177.824 176.300 -0.165 0.000 1.103 269 R CA 1.080 57.161 56.100 -0.030 0.000 0.983 269 R CB -0.997 29.282 30.300 -0.035 0.000 0.874 269 R HN 0.223 nan 8.270 nan 0.000 0.451 270 F N 0.278 120.260 119.950 0.054 0.000 2.693 270 F HA 0.156 4.682 4.527 -0.001 0.000 0.303 270 F C 1.496 177.396 175.800 0.168 0.000 1.097 270 F CA 0.073 58.143 58.000 0.117 0.000 1.330 270 F CB 0.220 39.295 39.000 0.125 0.000 1.067 270 F HN -0.038 nan 8.300 nan 0.000 0.565 271 Q N -0.040 119.886 119.800 0.210 0.000 2.369 271 Q HA 0.044 4.384 4.340 -0.001 0.000 0.206 271 Q C 1.682 177.778 176.000 0.159 0.000 0.963 271 Q CA 0.955 56.890 55.803 0.219 0.000 0.894 271 Q CB 0.022 28.849 28.738 0.148 0.000 0.965 271 Q HN 0.315 nan 8.270 nan 0.000 0.475 272 A N -0.130 122.719 122.820 0.049 0.000 2.610 272 A HA 0.196 4.515 4.320 -0.001 0.000 0.286 272 A C -0.391 177.109 177.584 -0.140 0.000 1.306 272 A CA -0.583 51.433 52.037 -0.036 0.000 0.942 272 A CB -0.229 18.716 19.000 -0.092 0.000 1.112 272 A HN 0.293 nan 8.150 nan 0.000 0.527 273 F N 2.072 121.855 119.950 -0.277 0.000 2.495 273 F HA 0.366 4.893 4.527 -0.001 0.000 0.365 273 F C -1.837 173.495 175.800 -0.781 0.000 1.090 273 F CA -1.839 55.796 58.000 -0.608 0.000 1.235 273 F CB 1.109 39.620 39.000 -0.814 0.000 1.119 273 F HN 0.091 nan 8.300 nan 0.000 0.562 274 P HA 0.066 nan 4.420 nan 0.000 0.238 274 P C -1.190 176.021 177.300 -0.148 0.000 1.794 274 P CA -0.209 62.650 63.100 -0.402 0.000 1.088 274 P CB -0.532 30.929 31.700 -0.398 0.000 1.923 275 W N 1.440 122.950 121.300 0.349 0.000 2.123 275 W HA 0.177 4.837 4.660 -0.001 0.000 0.351 275 W C 0.797 177.405 176.519 0.149 0.000 1.292 275 W CA -0.434 57.082 57.345 0.285 0.000 1.263 275 W CB 0.332 29.926 29.460 0.223 0.000 1.165 275 W HN 0.248 nan 8.180 nan 0.000 0.590 276 Q N 1.659 121.697 119.800 0.398 0.000 2.454 276 Q HA 0.113 4.453 4.340 -0.001 0.000 0.255 276 Q C -0.544 175.568 176.000 0.185 0.000 1.034 276 Q CA -0.855 55.084 55.803 0.226 0.000 0.736 276 Q CB 1.452 30.304 28.738 0.190 0.000 1.210 276 Q HN 0.251 nan 8.270 nan 0.000 0.500 277 E N 2.063 122.346 120.200 0.138 0.000 2.415 277 E HA 0.052 4.401 4.350 -0.001 0.000 0.262 277 E C -0.927 175.730 176.600 0.095 0.000 1.038 277 E CA 0.750 57.203 56.400 0.088 0.000 0.921 277 E CB 0.543 30.264 29.700 0.035 0.000 0.950 277 E HN 0.418 nan 8.360 nan 0.000 0.438 278 D N 3.097 123.561 120.400 0.106 0.000 2.192 278 D HA -0.001 4.639 4.640 -0.001 0.000 0.200 278 D C 0.113 176.515 176.300 0.171 0.000 1.281 278 D CA -0.303 53.773 54.000 0.128 0.000 0.895 278 D CB 0.400 41.286 40.800 0.143 0.000 1.643 278 D HN 0.412 nan 8.370 nan 0.000 0.510 279 E N 2.693 122.978 120.200 0.141 0.000 2.051 279 E HA -0.062 4.287 4.350 -0.001 0.000 0.192 279 E C 1.804 178.544 176.600 0.233 0.000 0.991 279 E CA 2.062 58.567 56.400 0.174 0.000 0.799 279 E CB -0.041 29.726 29.700 0.112 0.000 0.748 279 E HN 0.513 nan 8.360 nan 0.000 0.449 280 A N 0.687 123.614 122.820 0.178 0.000 1.877 280 A HA -0.147 4.172 4.320 -0.001 0.000 0.216 280 A C 2.418 180.123 177.584 0.201 0.000 1.186 280 A CA 1.412 53.551 52.037 0.169 0.000 0.620 280 A CB -0.855 18.223 19.000 0.130 0.000 0.822 280 A HN 0.371 nan 8.150 nan 0.000 0.443 281 L N -1.904 119.446 121.223 0.212 0.000 2.012 281 L HA -0.194 4.145 4.340 -0.001 0.000 0.210 281 L C 2.502 179.555 176.870 0.304 0.000 1.073 281 L CA 2.080 57.064 54.840 0.239 0.000 0.748 281 L CB -0.475 41.713 42.059 0.215 0.000 0.891 281 L HN 0.544 nan 8.230 nan 0.000 0.431 282 F N 0.600 120.679 119.950 0.215 0.000 2.095 282 F HA -0.304 4.223 4.527 -0.001 0.000 0.298 282 F C 2.712 178.748 175.800 0.394 0.000 1.104 282 F CA 1.657 59.827 58.000 0.283 0.000 1.232 282 F CB -0.209 38.890 39.000 0.166 0.000 0.987 282 F HN 0.123 nan 8.300 nan 0.000 0.475 283 Q N 0.419 120.381 119.800 0.269 0.000 2.119 283 Q HA -0.112 4.227 4.340 -0.001 0.000 0.201 283 Q C 2.546 178.633 176.000 0.144 0.000 0.972 283 Q CA 1.432 57.360 55.803 0.207 0.000 0.847 283 Q CB -1.113 27.765 28.738 0.233 0.000 0.903 283 Q HN 0.547 nan 8.270 nan 0.000 0.433 284 A N 0.111 123.032 122.820 0.168 0.000 1.883 284 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 284 A C 1.901 179.579 177.584 0.156 0.000 1.186 284 A CA 1.476 53.603 52.037 0.150 0.000 0.624 284 A CB -1.109 18.000 19.000 0.182 0.000 0.822 284 A HN 0.549 nan 8.150 nan 0.000 0.444 285 W N -0.554 120.778 121.300 0.054 0.000 2.354 285 W HA -0.253 4.407 4.660 -0.001 0.000 0.315 285 W C 2.063 178.598 176.519 0.027 0.000 1.206 285 W CA 2.101 59.489 57.345 0.072 0.000 1.290 285 W CB -0.834 28.682 29.460 0.093 0.000 1.152 285 W HN 0.446 nan 8.180 nan 0.000 0.489 286 Y N 1.583 121.679 120.300 -0.340 0.000 2.207 286 Y HA -0.188 4.362 4.550 -0.001 0.000 0.287 286 Y C 1.911 177.637 175.900 -0.291 0.000 1.156 286 Y CA 2.391 60.142 58.100 -0.581 0.000 1.182 286 Y CB -0.406 37.783 38.460 -0.452 0.000 0.979 286 Y HN -0.017 nan 8.280 nan 0.000 0.521 287 E N -0.222 119.819 120.200 -0.265 0.000 2.463 287 E HA 0.173 4.522 4.350 -0.001 0.000 0.193 287 E C 1.203 177.644 176.600 -0.265 0.000 1.041 287 E CA 0.610 56.801 56.400 -0.348 0.000 0.879 287 E CB -0.232 29.353 29.700 -0.191 0.000 0.997 287 E HN 0.521 nan 8.360 nan 0.000 0.478 288 G N 2.797 111.450 108.800 -0.245 0.000 2.295 288 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.287 288 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.287 288 G C 0.323 175.188 174.900 -0.058 0.000 1.055 288 G CA 0.242 45.245 45.100 -0.161 0.000 0.922 288 G HN 0.079 nan 8.290 nan 0.000 0.503 289 K N 0.328 120.719 120.400 -0.016 0.000 3.045 289 K HA 0.197 4.516 4.320 -0.001 0.000 0.211 289 K C 1.698 178.351 176.600 0.088 0.000 1.141 289 K CA 0.473 56.786 56.287 0.043 0.000 1.036 289 K CB 0.451 32.969 32.500 0.030 0.000 0.851 289 K HN 0.528 nan 8.250 nan 0.000 0.462 290 T N -3.051 111.551 114.554 0.080 0.000 3.067 290 T HA 0.041 4.391 4.350 -0.001 0.000 0.261 290 T C 1.430 176.182 174.700 0.088 0.000 1.110 290 T CA 0.902 63.072 62.100 0.117 0.000 1.113 290 T CB -0.002 68.925 68.868 0.097 0.000 0.917 290 T HN 0.436 nan 8.240 nan 0.000 0.499 291 G N 0.559 109.405 108.800 0.077 0.000 2.143 291 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.248 291 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.248 291 G C 0.024 174.827 174.900 -0.162 0.000 0.991 291 G CA 0.060 45.202 45.100 0.070 0.000 0.689 291 G HN 0.755 nan 8.290 nan 0.000 0.522 292 V N 0.845 120.596 119.914 -0.272 0.000 2.313 292 V HA 0.303 4.422 4.120 -0.001 0.000 0.278 292 V C -0.480 175.331 176.094 -0.472 0.000 1.017 292 V CA -0.939 61.132 62.300 -0.381 0.000 0.823 292 V CB 1.780 33.294 31.823 -0.515 0.000 1.010 292 V HN 0.009 nan 8.190 nan 0.000 0.443 293 P HA -0.206 nan 4.420 nan 0.000 0.215 293 P C 1.823 179.029 177.300 -0.156 0.000 1.163 293 P CA 1.162 63.871 63.100 -0.653 0.000 0.894 293 P CB 0.215 31.584 31.700 -0.551 0.000 0.791 294 L N -0.343 120.947 121.223 0.112 0.000 2.012 294 L HA -0.123 4.217 4.340 -0.001 0.000 0.210 294 L C 2.099 179.042 176.870 0.123 0.000 1.073 294 L CA 2.037 57.071 54.840 0.323 0.000 0.748 294 L CB -1.491 40.718 42.059 0.250 0.000 0.891 294 L HN -0.159 nan 8.230 nan 0.000 0.431 295 V N 0.328 120.183 119.914 -0.099 0.000 2.407 295 V HA -0.248 3.871 4.120 -0.001 0.000 0.248 295 V C 2.332 178.370 176.094 -0.094 0.000 1.055 295 V CA 1.930 64.148 62.300 -0.136 0.000 1.049 295 V CB -0.805 30.761 31.823 -0.429 0.000 0.662 295 V HN 0.434 nan 8.190 nan 0.000 0.455 296 D N 0.205 120.537 120.400 -0.114 0.000 2.162 296 D HA -0.006 4.633 4.640 -0.001 0.000 0.203 296 D C 2.243 178.509 176.300 -0.056 0.000 0.967 296 D CA 1.425 55.386 54.000 -0.065 0.000 0.840 296 D CB -0.291 40.526 40.800 0.029 0.000 0.972 296 D HN 0.400 nan 8.370 nan 0.000 0.482 297 A N 1.018 123.795 122.820 -0.072 0.000 1.933 297 A HA -0.059 4.260 4.320 -0.001 0.000 0.218 297 A C 2.265 179.711 177.584 -0.230 0.000 1.175 297 A CA 2.131 54.039 52.037 -0.216 0.000 0.628 297 A CB -0.603 18.092 19.000 -0.508 0.000 0.814 297 A HN 0.230 nan 8.150 nan 0.000 0.444 298 A N -1.100 121.724 122.820 0.006 0.000 1.873 298 A HA -0.041 4.278 4.320 -0.001 0.000 0.215 298 A C 2.121 179.645 177.584 -0.100 0.000 1.186 298 A CA 1.838 53.945 52.037 0.116 0.000 0.616 298 A CB -0.402 18.722 19.000 0.207 0.000 0.823 298 A HN 0.402 nan 8.150 nan 0.000 0.442 299 M N -0.684 118.835 119.600 -0.134 0.000 2.349 299 M HA 0.025 4.504 4.480 -0.001 0.000 0.266 299 M C 2.080 178.282 176.300 -0.164 0.000 1.076 299 M CA 1.082 56.249 55.300 -0.220 0.000 1.126 299 M CB -1.063 31.330 32.600 -0.345 0.000 1.392 299 M HN 0.401 nan 8.290 nan 0.000 0.440 300 R N -0.107 120.302 120.500 -0.152 0.000 2.073 300 R HA -0.102 4.237 4.340 -0.001 0.000 0.229 300 R C 2.136 178.315 176.300 -0.202 0.000 1.120 300 R CA 1.148 57.186 56.100 -0.103 0.000 0.967 300 R CB -0.222 30.061 30.300 -0.029 0.000 0.862 300 R HN 0.463 nan 8.270 nan 0.000 0.436 301 E N 0.929 120.812 120.200 -0.527 0.000 2.077 301 E HA -0.227 4.122 4.350 -0.001 0.000 0.193 301 E C 1.888 178.137 176.600 -0.586 0.000 0.989 301 E CA 1.010 56.733 56.400 -1.128 0.000 0.800 301 E CB 0.024 28.730 29.700 -1.658 0.000 0.746 301 E HN 0.096 nan 8.360 nan 0.000 0.452 302 L N 1.391 122.361 121.223 -0.422 0.000 2.012 302 L HA -0.226 4.114 4.340 -0.001 0.000 0.210 302 L C 2.288 178.941 176.870 -0.360 0.000 1.073 302 L CA 2.000 56.602 54.840 -0.397 0.000 0.748 302 L CB -0.844 40.927 42.059 -0.480 0.000 0.891 302 L HN 0.287 nan 8.230 nan 0.000 0.431 303 H N -0.685 118.207 119.070 -0.296 0.000 2.321 303 H HA -0.066 4.489 4.556 -0.001 0.000 0.300 303 H C 2.043 177.287 175.328 -0.141 0.000 1.087 303 H CA 1.644 57.557 56.048 -0.225 0.000 1.319 303 H CB -0.158 29.462 29.762 -0.237 0.000 1.379 303 H HN 0.514 nan 8.280 nan 0.000 0.501 304 A N 0.193 123.011 122.820 -0.003 0.000 1.968 304 A HA -0.117 4.202 4.320 -0.001 0.000 0.217 304 A C 2.473 180.066 177.584 0.014 0.000 1.169 304 A CA 2.190 54.254 52.037 0.045 0.000 0.638 304 A CB -0.343 18.764 19.000 0.178 0.000 0.812 304 A HN 0.591 nan 8.150 nan 0.000 0.446 305 T N -6.759 107.752 114.554 -0.071 0.000 2.964 305 T HA 0.428 4.777 4.350 -0.001 0.000 0.250 305 T C 1.416 176.076 174.700 -0.067 0.000 0.982 305 T CA 1.118 63.195 62.100 -0.038 0.000 0.959 305 T CB 0.259 69.114 68.868 -0.022 0.000 1.141 305 T HN 1.719 nan 8.240 nan 0.000 0.494 306 G N 1.247 109.976 108.800 -0.118 0.000 2.143 306 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.249 306 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.249 306 G C -0.193 174.665 174.900 -0.070 0.000 0.981 306 G CA 0.259 45.283 45.100 -0.126 0.000 0.665 306 G HN 0.794 nan 8.290 nan 0.000 0.528 307 F N -0.663 119.152 119.950 -0.225 0.000 2.599 307 F HA 0.834 5.360 4.527 -0.001 0.000 0.311 307 F C -1.269 174.418 175.800 -0.188 0.000 1.076 307 F CA -1.491 56.398 58.000 -0.186 0.000 0.937 307 F CB 1.733 40.645 39.000 -0.145 0.000 1.282 307 F HN 0.085 nan 8.300 nan 0.000 0.460 308 L N 2.868 123.430 121.223 -1.102 0.000 2.506 308 L HA 0.426 4.766 4.340 -0.001 0.000 0.257 308 L C -0.655 175.666 176.870 -0.915 0.000 0.964 308 L CA -0.595 53.828 54.840 -0.694 0.000 0.836 308 L CB 2.277 44.106 42.059 -0.384 0.000 1.384 308 L HN 0.720 nan 8.230 nan 0.000 0.410 309 S N 1.582 117.016 115.700 -0.443 0.000 2.576 309 S HA 0.069 4.538 4.470 -0.001 0.000 0.272 309 S C 1.093 175.509 174.600 -0.306 0.000 1.352 309 S CA 0.453 58.476 58.200 -0.295 0.000 1.021 309 S CB 0.276 63.337 63.200 -0.232 0.000 0.887 309 S HN 0.779 nan 8.310 nan 0.000 0.542 310 N N 1.302 119.857 118.700 -0.242 0.000 2.037 310 N HA -0.268 4.471 4.740 -0.001 0.000 0.196 310 N C 1.983 177.327 175.510 -0.277 0.000 1.034 310 N CA 1.699 54.602 53.050 -0.246 0.000 0.861 310 N CB -0.215 38.124 38.487 -0.247 0.000 1.039 310 N HN 0.718 nan 8.380 nan 0.000 0.427 311 R N 0.966 121.266 120.500 -0.334 0.000 2.096 311 R HA -0.001 4.338 4.340 -0.001 0.000 0.235 311 R C 2.017 178.073 176.300 -0.406 0.000 1.127 311 R CA 1.701 57.546 56.100 -0.425 0.000 0.968 311 R CB -0.780 29.192 30.300 -0.546 0.000 0.861 311 R HN 0.311 nan 8.270 nan 0.000 0.440 312 A N 0.326 122.925 122.820 -0.368 0.000 1.930 312 A HA -0.075 4.245 4.320 -0.001 0.000 0.217 312 A C 2.175 179.684 177.584 -0.124 0.000 1.175 312 A CA 1.324 53.203 52.037 -0.264 0.000 0.627 312 A CB -0.381 18.480 19.000 -0.232 0.000 0.815 312 A HN 0.354 nan 8.150 nan 0.000 0.443 313 R N -0.480 119.951 120.500 -0.115 0.000 2.066 313 R HA -0.130 4.209 4.340 -0.001 0.000 0.232 313 R C 2.476 178.698 176.300 -0.131 0.000 1.131 313 R CA 1.766 57.874 56.100 0.013 0.000 0.955 313 R CB -0.541 29.767 30.300 0.014 0.000 0.851 313 R HN 0.835 nan 8.270 nan 0.000 0.432 314 M N -0.010 119.501 119.600 -0.147 0.000 2.159 314 M HA -0.124 4.356 4.480 -0.001 0.000 0.263 314 M C 1.422 177.711 176.300 -0.020 0.000 1.063 314 M CA 1.776 57.045 55.300 -0.052 0.000 1.110 314 M CB -0.405 32.288 32.600 0.155 0.000 1.374 314 M HN -0.005 nan 8.290 nan 0.000 0.411 315 N N 1.215 119.794 118.700 -0.201 0.000 2.135 315 N HA -0.034 4.705 4.740 -0.001 0.000 0.186 315 N C 2.040 177.606 175.510 0.094 0.000 1.027 315 N CA 1.735 54.720 53.050 -0.108 0.000 0.849 315 N CB -0.217 38.111 38.487 -0.266 0.000 1.002 315 N HN 0.538 nan 8.380 nan 0.000 0.425 316 A N 1.269 124.141 122.820 0.086 0.000 1.908 316 A HA -0.035 4.284 4.320 -0.001 0.000 0.218 316 A C 2.365 180.124 177.584 0.292 0.000 1.181 316 A CA 1.983 54.186 52.037 0.278 0.000 0.627 316 A CB -0.698 18.502 19.000 0.332 0.000 0.818 316 A HN 0.354 nan 8.150 nan 0.000 0.445 317 A N -1.139 121.551 122.820 -0.218 0.000 1.872 317 A HA -0.163 4.156 4.320 -0.001 0.000 0.214 317 A C 2.209 179.474 177.584 -0.532 0.000 1.187 317 A CA 1.648 53.125 52.037 -0.932 0.000 0.614 317 A CB -0.593 17.272 19.000 -1.892 0.000 0.826 317 A HN 0.624 nan 8.150 nan 0.000 0.442 318 Q N -1.697 117.951 119.800 -0.254 0.000 2.124 318 Q HA -0.194 4.145 4.340 -0.001 0.000 0.202 318 Q C 1.826 177.808 176.000 -0.029 0.000 0.977 318 Q CA 1.696 57.401 55.803 -0.164 0.000 0.850 318 Q CB -0.243 28.457 28.738 -0.064 0.000 0.901 318 Q HN 0.650 nan 8.270 nan 0.000 0.429 319 F N 0.677 120.643 119.950 0.027 0.000 2.095 319 F HA -0.205 4.321 4.527 -0.001 0.000 0.298 319 F C 2.075 177.897 175.800 0.037 0.000 1.104 319 F CA 1.550 59.632 58.000 0.135 0.000 1.232 319 F CB -0.511 38.593 39.000 0.173 0.000 0.987 319 F HN 0.149 nan 8.300 nan 0.000 0.475 320 A N -0.215 122.585 122.820 -0.035 0.000 1.865 320 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 320 A C 2.314 179.740 177.584 -0.264 0.000 1.191 320 A CA 2.333 54.153 52.037 -0.363 0.000 0.623 320 A CB -1.401 17.051 19.000 -0.913 0.000 0.826 320 A HN 0.276 nan 8.150 nan 0.000 0.444 321 V N -0.212 119.563 119.914 -0.233 0.000 2.244 321 V HA -0.225 3.894 4.120 -0.001 0.000 0.244 321 V C 2.485 178.458 176.094 -0.201 0.000 1.042 321 V CA 2.424 64.549 62.300 -0.292 0.000 1.006 321 V CB -0.621 31.011 31.823 -0.319 0.000 0.641 321 V HN 0.550 nan 8.190 nan 0.000 0.446 322 K N -1.104 119.090 120.400 -0.344 0.000 2.099 322 K HA 0.002 4.321 4.320 -0.001 0.000 0.203 322 K C 2.170 178.543 176.600 -0.378 0.000 1.047 322 K CA 1.110 57.047 56.287 -0.583 0.000 0.963 322 K CB -0.184 31.663 32.500 -1.088 0.000 0.759 322 K HN 0.500 nan 8.250 nan 0.000 0.451 323 H N 0.208 119.024 119.070 -0.423 0.000 2.436 323 H HA 0.101 4.656 4.556 -0.001 0.000 0.294 323 H C 1.655 176.778 175.328 -0.341 0.000 1.048 323 H CA 0.990 56.758 56.048 -0.466 0.000 1.353 323 H CB 0.326 29.482 29.762 -1.011 0.000 1.414 323 H HN -0.011 nan 8.280 nan 0.000 0.536 324 L N -0.579 120.512 121.223 -0.220 0.000 2.609 324 L HA 0.143 4.483 4.340 -0.001 0.000 0.230 324 L C 0.348 177.269 176.870 0.085 0.000 1.087 324 L CA 0.115 54.914 54.840 -0.068 0.000 0.874 324 L CB 0.679 42.691 42.059 -0.078 0.000 1.114 324 L HN 0.246 nan 8.230 nan 0.000 0.488 325 L N 0.490 121.799 121.223 0.143 0.000 4.040 325 L HA -0.235 4.104 4.340 -0.001 0.000 0.410 325 L C -0.040 177.046 176.870 0.360 0.000 1.187 325 L CA 0.107 55.208 54.840 0.435 0.000 0.956 325 L CB -1.638 40.715 42.059 0.490 0.000 2.022 325 L HN 0.210 nan 8.230 nan 0.000 0.897 326 L N 0.755 122.016 121.223 0.064 0.000 2.397 326 L HA 0.276 4.615 4.340 -0.001 0.000 0.271 326 L C -1.576 175.179 176.870 -0.192 0.000 1.148 326 L CA -1.636 53.207 54.840 0.005 0.000 0.825 326 L CB 0.304 42.340 42.059 -0.039 0.000 1.117 326 L HN -0.201 nan 8.230 nan 0.000 0.456 327 P HA -0.122 nan 4.420 nan 0.000 0.260 327 P C 0.432 177.423 177.300 -0.514 0.000 1.185 327 P CA -0.002 62.873 63.100 -0.374 0.000 0.763 327 P CB 0.227 31.794 31.700 -0.221 0.000 0.776 328 W N 5.034 125.924 121.300 -0.683 0.000 2.374 328 W HA -0.141 4.518 4.660 -0.001 0.000 0.288 328 W C 0.804 177.003 176.519 -0.533 0.000 1.218 328 W CA 0.873 57.873 57.345 -0.576 0.000 1.245 328 W CB -1.149 28.024 29.460 -0.479 0.000 1.126 328 W HN 0.242 nan 8.180 nan 0.000 0.545 329 K N 0.715 120.352 120.400 -1.271 0.000 2.002 329 K HA -0.172 4.147 4.320 -0.001 0.000 0.209 329 K C 2.479 178.694 176.600 -0.641 0.000 1.048 329 K CA 2.101 57.736 56.287 -1.087 0.000 0.930 329 K CB -0.485 31.399 32.500 -1.028 0.000 0.714 329 K HN -0.051 nan 8.250 nan 0.000 0.438 330 R N 0.379 120.550 120.500 -0.547 0.000 2.096 330 R HA -0.195 4.144 4.340 -0.001 0.000 0.240 330 R C 2.210 178.338 176.300 -0.287 0.000 1.139 330 R CA 2.074 57.912 56.100 -0.436 0.000 0.952 330 R CB -0.492 29.481 30.300 -0.545 0.000 0.854 330 R HN 0.309 nan 8.270 nan 0.000 0.436 331 C N 0.612 119.727 119.300 -0.308 0.000 2.429 331 C HA -0.058 4.402 4.460 -0.001 0.000 0.277 331 C C 2.635 177.284 174.990 -0.569 0.000 1.262 331 C CA 0.578 59.447 59.018 -0.247 0.000 1.733 331 C CB -0.830 26.445 27.740 -0.776 0.000 2.010 331 C HN 0.604 nan 8.230 nan 0.000 0.483 332 E N 1.346 120.871 120.200 -1.125 0.000 2.038 332 E HA -0.257 4.092 4.350 -0.001 0.000 0.195 332 E C 2.060 178.414 176.600 -0.410 0.000 1.000 332 E CA 1.676 57.340 56.400 -1.228 0.000 0.803 332 E CB -0.436 28.807 29.700 -0.762 0.000 0.750 332 E HN 0.737 nan 8.360 nan 0.000 0.448 333 E N -0.333 119.663 120.200 -0.341 0.000 2.072 333 E HA -0.123 4.226 4.350 -0.001 0.000 0.191 333 E C 2.004 178.401 176.600 -0.338 0.000 0.985 333 E CA 0.872 57.067 56.400 -0.342 0.000 0.801 333 E CB -0.130 29.360 29.700 -0.350 0.000 0.750 333 E HN 0.292 nan 8.360 nan 0.000 0.452 334 A N 0.439 123.227 122.820 -0.053 0.000 1.978 334 A HA -0.188 4.131 4.320 -0.001 0.000 0.220 334 A C 1.925 179.733 177.584 0.374 0.000 1.170 334 A CA 1.167 53.334 52.037 0.217 0.000 0.636 334 A CB -0.743 18.530 19.000 0.455 0.000 0.810 334 A HN 0.460 nan 8.150 nan 0.000 0.448 335 F N -0.078 120.008 119.950 0.227 0.000 2.187 335 F HA -0.008 4.518 4.527 -0.001 0.000 0.295 335 F C 2.359 178.269 175.800 0.183 0.000 1.091 335 F CA 1.601 59.785 58.000 0.308 0.000 1.308 335 F CB -0.180 39.174 39.000 0.589 0.000 1.030 335 F HN 0.172 nan 8.300 nan 0.000 0.487 336 R N -0.594 120.081 120.500 0.293 0.000 2.091 336 R HA -0.204 4.135 4.340 -0.001 0.000 0.238 336 R C 2.129 178.538 176.300 0.182 0.000 1.136 336 R CA 2.139 58.352 56.100 0.189 0.000 0.959 336 R CB -0.655 29.716 30.300 0.118 0.000 0.856 336 R HN 0.469 nan 8.270 nan 0.000 0.437 337 H N -0.576 118.560 119.070 0.110 0.000 2.489 337 H HA -0.063 4.493 4.556 -0.001 0.000 0.293 337 H C 1.730 177.074 175.328 0.026 0.000 1.066 337 H CA 0.897 56.991 56.048 0.077 0.000 1.305 337 H CB 0.168 29.989 29.762 0.097 0.000 1.386 337 H HN 0.223 nan 8.280 nan 0.000 0.551 338 L N 0.672 121.940 121.223 0.076 0.000 2.509 338 L HA 0.088 4.427 4.340 -0.001 0.000 0.222 338 L C 0.055 176.840 176.870 -0.143 0.000 1.123 338 L CA 0.046 54.824 54.840 -0.104 0.000 0.856 338 L CB 0.333 42.201 42.059 -0.319 0.000 0.985 338 L HN 0.135 nan 8.230 nan 0.000 0.456 339 L N 0.049 121.218 121.223 -0.090 0.000 2.275 339 L HA 0.184 4.524 4.340 -0.001 0.000 0.288 339 L C 1.147 178.007 176.870 -0.017 0.000 1.046 339 L CA -0.416 54.367 54.840 -0.095 0.000 0.805 339 L CB 1.863 43.880 42.059 -0.070 0.000 1.193 339 L HN 0.064 nan 8.230 nan 0.000 0.426 340 L N 1.680 122.858 121.223 -0.076 0.000 2.079 340 L HA -0.196 4.143 4.340 -0.001 0.000 0.210 340 L C 1.471 178.348 176.870 0.011 0.000 1.081 340 L CA 1.297 56.056 54.840 -0.136 0.000 0.752 340 L CB -0.380 41.383 42.059 -0.493 0.000 0.896 340 L HN 0.819 nan 8.230 nan 0.000 0.433 341 D N -0.367 120.059 120.400 0.044 0.000 2.325 341 D HA 0.026 4.665 4.640 -0.001 0.000 0.225 341 D C 1.016 177.431 176.300 0.191 0.000 1.096 341 D CA -0.115 53.982 54.000 0.161 0.000 0.844 341 D CB -0.422 40.481 40.800 0.173 0.000 0.925 341 D HN 0.069 nan 8.370 nan 0.000 0.513 342 G N 0.584 109.484 108.800 0.167 0.000 2.254 342 G HA2 0.235 4.194 3.960 -0.001 0.000 0.253 342 G HA3 0.235 4.194 3.960 -0.001 0.000 0.253 342 G C -0.595 174.437 174.900 0.220 0.000 1.246 342 G CA -0.177 45.033 45.100 0.184 0.000 0.946 342 G HN 0.226 nan 8.290 nan 0.000 0.474 343 D N 2.014 122.551 120.400 0.228 0.000 2.736 343 D HA 0.156 4.795 4.640 -0.001 0.000 0.243 343 D C 1.133 177.576 176.300 0.239 0.000 1.304 343 D CA -0.761 53.390 54.000 0.252 0.000 0.934 343 D CB 1.458 42.429 40.800 0.285 0.000 1.382 343 D HN 0.356 nan 8.370 nan 0.000 0.571 344 R N 2.778 123.413 120.500 0.226 0.000 2.083 344 R HA -0.139 4.201 4.340 -0.001 0.000 0.237 344 R C 1.861 178.278 176.300 0.196 0.000 1.137 344 R CA 2.102 58.318 56.100 0.193 0.000 0.951 344 R CB -0.003 30.397 30.300 0.166 0.000 0.851 344 R HN 0.465 nan 8.270 nan 0.000 0.434 345 A N -0.036 122.921 122.820 0.229 0.000 1.902 345 A HA -0.104 4.215 4.320 -0.001 0.000 0.217 345 A C 2.249 179.894 177.584 0.100 0.000 1.181 345 A CA 1.663 53.813 52.037 0.189 0.000 0.623 345 A CB -0.495 18.697 19.000 0.320 0.000 0.818 345 A HN 0.235 nan 8.150 nan 0.000 0.443 346 V N 0.586 120.555 119.914 0.092 0.000 2.358 346 V HA -0.239 3.881 4.120 -0.001 0.000 0.246 346 V C 2.385 178.555 176.094 0.125 0.000 1.047 346 V CA 2.261 64.583 62.300 0.037 0.000 1.035 346 V CB -1.157 30.681 31.823 0.025 0.000 0.658 346 V HN 0.741 nan 8.190 nan 0.000 0.452 347 N N 0.056 118.880 118.700 0.206 0.000 2.120 347 N HA -0.166 4.573 4.740 -0.001 0.000 0.188 347 N C 1.643 177.375 175.510 0.369 0.000 1.024 347 N CA 1.112 54.358 53.050 0.326 0.000 0.852 347 N CB -0.231 38.478 38.487 0.370 0.000 1.003 347 N HN 0.251 nan 8.380 nan 0.000 0.424 348 L N 1.247 122.623 121.223 0.256 0.000 2.046 348 L HA -0.126 4.214 4.340 -0.001 0.000 0.208 348 L C 2.388 179.359 176.870 0.168 0.000 1.077 348 L CA 1.641 56.620 54.840 0.232 0.000 0.747 348 L CB -1.385 40.773 42.059 0.165 0.000 0.896 348 L HN 0.404 nan 8.230 nan 0.000 0.432 349 Q N -0.472 119.394 119.800 0.110 0.000 2.050 349 Q HA -0.163 4.176 4.340 -0.001 0.000 0.202 349 Q C 2.012 178.094 176.000 0.138 0.000 0.980 349 Q CA 2.040 57.888 55.803 0.075 0.000 0.840 349 Q CB -0.513 28.244 28.738 0.031 0.000 0.898 349 Q HN 0.520 nan 8.270 nan 0.000 0.424 350 G N -0.388 108.485 108.800 0.122 0.000 2.418 350 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.217 350 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.217 350 G C 1.075 175.993 174.900 0.031 0.000 1.158 350 G CA 0.685 45.821 45.100 0.061 0.000 0.771 350 G HN 0.441 nan 8.290 nan 0.000 0.545 351 W N 0.877 122.177 121.300 -0.000 0.000 2.355 351 W HA 0.020 4.679 4.660 -0.001 0.000 0.309 351 W C 3.075 179.496 176.519 -0.165 0.000 1.206 351 W CA 1.281 58.576 57.345 -0.083 0.000 1.284 351 W CB -0.119 29.317 29.460 -0.039 0.000 1.145 351 W HN 0.214 nan 8.180 nan 0.000 0.502 352 Q N -1.747 118.067 119.800 0.024 0.000 2.364 352 Q HA -0.207 4.132 4.340 -0.001 0.000 0.207 352 Q C 1.820 177.755 176.000 -0.108 0.000 0.970 352 Q CA 1.315 57.012 55.803 -0.177 0.000 0.888 352 Q CB -0.510 28.081 28.738 -0.245 0.000 0.951 352 Q HN 0.462 nan 8.270 nan 0.000 0.469 353 W N 0.747 121.950 121.300 -0.160 0.000 2.488 353 W HA 0.034 4.694 4.660 -0.001 0.000 0.304 353 W C 2.256 178.643 176.519 -0.220 0.000 1.175 353 W CA 1.411 58.669 57.345 -0.146 0.000 1.365 353 W CB -0.344 29.068 29.460 -0.079 0.000 1.131 353 W HN 0.007 nan 8.180 nan 0.000 0.520 354 A N 0.421 123.148 122.820 -0.155 0.000 1.972 354 A HA -0.027 4.292 4.320 -0.001 0.000 0.219 354 A C 2.087 179.368 177.584 -0.505 0.000 1.169 354 A CA 1.791 53.587 52.037 -0.401 0.000 0.635 354 A CB -1.530 17.331 19.000 -0.232 0.000 0.810 354 A HN 0.439 nan 8.150 nan 0.000 0.446 355 G N -1.743 106.807 108.800 -0.416 0.000 2.985 355 G HA2 0.371 4.330 3.960 -0.001 0.000 0.209 355 G HA3 0.371 4.330 3.960 -0.001 0.000 0.209 355 G C 1.047 175.681 174.900 -0.444 0.000 1.165 355 G CA 0.519 45.381 45.100 -0.397 0.000 0.776 355 G HN 1.606 nan 8.290 nan 0.000 0.541 356 G N 0.168 108.655 108.800 -0.523 0.000 2.298 356 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.287 356 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.287 356 G C 0.662 175.167 174.900 -0.658 0.000 1.075 356 G CA 0.380 45.146 45.100 -0.556 0.000 0.960 356 G HN 0.504 nan 8.290 nan 0.000 0.502 357 L N -0.911 120.004 121.223 -0.513 0.000 2.766 357 L HA 0.482 4.822 4.340 -0.001 0.000 0.242 357 L C 1.897 178.591 176.870 -0.293 0.000 1.136 357 L CA 0.612 55.167 54.840 -0.474 0.000 0.933 357 L CB 0.408 42.175 42.059 -0.487 0.000 1.241 357 L HN 0.953 nan 8.230 nan 0.000 0.522 358 G N -0.336 108.318 108.800 -0.243 0.000 2.273 358 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.162 358 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.162 358 G C 0.070 174.939 174.900 -0.051 0.000 1.006 358 G CA -0.503 44.526 45.100 -0.119 0.000 0.704 358 G HN -0.035 nan 8.290 nan 0.000 0.487 359 V N 1.650 121.556 119.914 -0.013 0.000 2.521 359 V HA 0.409 4.528 4.120 -0.001 0.000 0.286 359 V C 1.290 177.581 176.094 0.327 0.000 1.034 359 V CA 1.494 63.883 62.300 0.148 0.000 1.045 359 V CB 1.199 33.161 31.823 0.233 0.000 0.974 359 V HN 0.585 nan 8.190 nan 0.000 0.480 360 D N 4.411 125.030 120.400 0.364 0.000 3.012 360 D HA -0.275 4.364 4.640 -0.001 0.000 0.222 360 D C 0.869 177.323 176.300 0.257 0.000 1.167 360 D CA 1.551 55.792 54.000 0.402 0.000 0.854 360 D CB -1.014 40.158 40.800 0.620 0.000 1.107 360 D HN 1.603 nan 8.370 nan 0.000 0.421 361 A N -2.240 120.671 122.820 0.152 0.000 2.771 361 A HA -0.031 4.288 4.320 -0.001 0.000 0.294 361 A C 1.064 178.651 177.584 0.004 0.000 1.500 361 A CA 1.882 53.958 52.037 0.064 0.000 0.829 361 A CB -2.076 16.972 19.000 0.081 0.000 0.998 361 A HN 1.698 nan 8.150 nan 0.000 0.526 362 A N -0.065 122.741 122.820 -0.025 0.000 2.546 362 A HA 0.510 4.829 4.320 -0.001 0.000 0.243 362 A C -1.321 176.037 177.584 -0.378 0.000 1.063 362 A CA -0.153 51.755 52.037 -0.216 0.000 0.757 362 A CB -0.190 18.500 19.000 -0.516 0.000 0.991 362 A HN 0.489 nan 8.150 nan 0.000 0.503 363 P HA 0.210 nan 4.420 nan 0.000 0.278 363 P C 0.330 177.139 177.300 -0.818 0.000 1.238 363 P CA -0.274 62.369 63.100 -0.763 0.000 0.794 363 P CB 0.276 31.095 31.700 -1.469 0.000 0.955 364 Y N 1.540 121.561 120.300 -0.464 0.000 2.256 364 Y HA -0.198 4.351 4.550 -0.001 0.000 0.288 364 Y C 1.607 177.431 175.900 -0.127 0.000 1.155 364 Y CA 1.005 58.986 58.100 -0.199 0.000 1.203 364 Y CB -1.682 36.840 38.460 0.103 0.000 0.980 364 Y HN 0.243 nan 8.280 nan 0.000 0.530 365 F N 0.774 120.293 119.950 -0.718 0.000 2.661 365 F HA 0.242 4.768 4.527 -0.001 0.000 0.298 365 F C 1.118 176.764 175.800 -0.257 0.000 1.137 365 F CA -0.745 56.959 58.000 -0.494 0.000 1.454 365 F CB -0.804 37.798 39.000 -0.663 0.000 1.103 365 F HN -0.121 nan 8.300 nan 0.000 0.577 366 R N 1.966 122.247 120.500 -0.364 0.000 2.345 366 R HA 0.399 4.738 4.340 -0.001 0.000 0.331 366 R C -1.618 174.437 176.300 -0.408 0.000 1.067 366 R CA 0.014 55.950 56.100 -0.274 0.000 0.962 366 R CB -0.012 30.027 30.300 -0.435 0.000 0.987 366 R HN 0.143 nan 8.270 nan 0.000 0.451 367 V N 7.030 126.793 119.914 -0.251 0.000 2.407 367 V HA 0.332 4.451 4.120 -0.001 0.000 0.291 367 V C -0.561 175.456 176.094 -0.128 0.000 1.018 367 V CA -0.858 61.269 62.300 -0.290 0.000 0.842 367 V CB 1.041 32.769 31.823 -0.159 0.000 0.996 367 V HN 0.553 nan 8.190 nan 0.000 0.426 368 F N 3.794 123.754 119.950 0.017 0.000 2.590 368 F HA 0.102 4.629 4.527 -0.001 0.000 0.389 368 F C 1.113 177.007 175.800 0.157 0.000 1.049 368 F CA -0.127 57.912 58.000 0.065 0.000 1.199 368 F CB -0.076 38.953 39.000 0.049 0.000 1.058 368 F HN 0.475 nan 8.300 nan 0.000 0.556 369 N N 6.850 125.730 118.700 0.300 0.000 2.399 369 N HA 0.087 4.826 4.740 -0.001 0.000 0.259 369 N C -1.665 173.933 175.510 0.147 0.000 1.160 369 N CA -1.781 51.397 53.050 0.214 0.000 0.946 369 N CB 1.026 39.598 38.487 0.142 0.000 1.156 369 N HN 0.192 nan 8.380 nan 0.000 0.489 370 P HA -0.116 nan 4.420 nan 0.000 0.230 370 P C 1.264 178.551 177.300 -0.022 0.000 1.158 370 P CA 0.523 63.639 63.100 0.026 0.000 0.769 370 P CB 0.458 32.140 31.700 -0.030 0.000 0.807 371 V N -0.982 118.939 119.914 0.011 0.000 2.426 371 V HA -0.073 4.046 4.120 -0.001 0.000 0.242 371 V C 2.220 178.266 176.094 -0.080 0.000 1.036 371 V CA 0.769 63.074 62.300 0.009 0.000 1.044 371 V CB -1.152 30.717 31.823 0.076 0.000 0.688 371 V HN -0.078 nan 8.190 nan 0.000 0.462 372 L N 0.097 121.295 121.223 -0.042 0.000 2.043 372 L HA -0.247 4.092 4.340 -0.001 0.000 0.212 372 L C 2.714 179.493 176.870 -0.153 0.000 1.075 372 L CA 2.722 57.520 54.840 -0.070 0.000 0.752 372 L CB -0.592 41.461 42.059 -0.010 0.000 0.891 372 L HN 0.492 nan 8.230 nan 0.000 0.432 373 Q N -0.669 119.048 119.800 -0.138 0.000 2.084 373 Q HA -0.142 4.197 4.340 -0.001 0.000 0.202 373 Q C 2.007 177.814 176.000 -0.321 0.000 0.978 373 Q CA 1.907 57.616 55.803 -0.157 0.000 0.844 373 Q CB -0.444 28.201 28.738 -0.154 0.000 0.898 373 Q HN 0.572 nan 8.270 nan 0.000 0.426 374 G N -0.187 108.213 108.800 -0.667 0.000 2.402 374 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.216 374 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.216 374 G C 1.059 175.536 174.900 -0.704 0.000 1.162 374 G CA 0.729 45.021 45.100 -1.347 0.000 0.777 374 G HN 0.382 nan 8.290 nan 0.000 0.539 375 E N -0.139 119.806 120.200 -0.426 0.000 2.110 375 E HA -0.133 4.217 4.350 -0.001 0.000 0.193 375 E C 2.492 178.976 176.600 -0.192 0.000 0.988 375 E CA 0.992 57.296 56.400 -0.161 0.000 0.804 375 E CB -0.034 29.614 29.700 -0.087 0.000 0.745 375 E HN 0.390 nan 8.360 nan 0.000 0.458 376 R N -0.019 120.287 120.500 -0.323 0.000 2.200 376 R HA -0.029 4.311 4.340 -0.001 0.000 0.208 376 R C 1.113 177.019 176.300 -0.656 0.000 1.033 376 R CA 1.130 56.935 56.100 -0.492 0.000 1.000 376 R CB 0.314 30.250 30.300 -0.607 0.000 0.906 376 R HN 0.179 nan 8.270 nan 0.000 0.462 377 H N -1.723 117.247 119.070 -0.168 0.000 2.916 377 H HA 0.231 4.786 4.556 -0.001 0.000 0.262 377 H C -0.704 174.541 175.328 -0.138 0.000 1.178 377 H CA -0.137 55.807 56.048 -0.174 0.000 1.090 377 H CB 0.901 30.514 29.762 -0.248 0.000 1.657 377 H HN 0.139 nan 8.280 nan 0.000 0.601 378 D N 0.534 120.943 120.400 0.015 0.000 2.823 378 D HA 0.189 4.829 4.640 -0.001 0.000 0.255 378 D C -2.047 174.344 176.300 0.153 0.000 1.257 378 D CA -1.599 52.489 54.000 0.147 0.000 0.803 378 D CB 1.181 42.200 40.800 0.365 0.000 1.384 378 D HN -0.084 nan 8.370 nan 0.000 0.541 379 P HA -0.092 nan 4.420 nan 0.000 0.216 379 P C 0.309 177.659 177.300 0.083 0.000 1.153 379 P CA 1.225 64.358 63.100 0.056 0.000 0.858 379 P CB 0.337 32.057 31.700 0.033 0.000 0.789 380 E N -2.386 117.873 120.200 0.099 0.000 2.548 380 E HA 0.317 4.666 4.350 -0.001 0.000 0.206 380 E C 0.975 177.641 176.600 0.110 0.000 1.005 380 E CA 0.288 56.741 56.400 0.088 0.000 0.951 380 E CB -0.067 29.671 29.700 0.063 0.000 1.035 380 E HN 0.115 nan 8.360 nan 0.000 0.470 381 G N 2.234 111.139 108.800 0.174 0.000 2.184 381 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.264 381 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.264 381 G C 1.067 176.057 174.900 0.148 0.000 0.975 381 G CA 0.645 45.855 45.100 0.185 0.000 0.642 381 G HN 0.294 nan 8.290 nan 0.000 0.536 382 R N -1.427 119.166 120.500 0.155 0.000 2.117 382 R HA -0.141 4.198 4.340 -0.001 0.000 0.243 382 R C 2.223 178.625 176.300 0.170 0.000 1.143 382 R CA 1.938 58.112 56.100 0.123 0.000 0.968 382 R CB -0.323 30.049 30.300 0.121 0.000 0.863 382 R HN 0.609 nan 8.270 nan 0.000 0.444 383 W N 1.590 122.958 121.300 0.115 0.000 2.409 383 W HA -0.105 4.554 4.660 -0.001 0.000 0.299 383 W C 1.894 178.531 176.519 0.197 0.000 1.203 383 W CA 0.682 58.144 57.345 0.194 0.000 1.298 383 W CB -0.330 29.275 29.460 0.242 0.000 1.127 383 W HN -0.011 nan 8.180 nan 0.000 0.528 384 L N 2.206 123.537 121.223 0.180 0.000 2.042 384 L HA -0.188 4.152 4.340 -0.001 0.000 0.210 384 L C 2.471 179.230 176.870 -0.184 0.000 1.076 384 L CA 2.853 57.615 54.840 -0.131 0.000 0.749 384 L CB -1.296 40.577 42.059 -0.310 0.000 0.893 384 L HN 0.079 nan 8.230 nan 0.000 0.432 385 K N -0.853 119.472 120.400 -0.125 0.000 2.148 385 K HA -0.157 4.162 4.320 -0.001 0.000 0.204 385 K C 2.269 178.723 176.600 -0.243 0.000 1.050 385 K CA 1.264 57.462 56.287 -0.148 0.000 0.942 385 K CB -0.370 32.073 32.500 -0.096 0.000 0.724 385 K HN 0.178 nan 8.250 nan 0.000 0.446 386 R N -0.729 119.563 120.500 -0.348 0.000 2.090 386 R HA -0.070 4.270 4.340 -0.001 0.000 0.228 386 R C 1.189 177.004 176.300 -0.808 0.000 1.110 386 R CA 1.795 57.502 56.100 -0.655 0.000 0.973 386 R CB -0.208 29.559 30.300 -0.889 0.000 0.869 386 R HN 0.439 nan 8.270 nan 0.000 0.440 387 W N -1.503 119.575 121.300 -0.370 0.000 2.915 387 W HA 0.337 4.996 4.660 -0.001 0.000 0.276 387 W C 0.337 176.682 176.519 -0.290 0.000 1.215 387 W CA 0.055 57.167 57.345 -0.389 0.000 1.514 387 W CB 0.738 29.818 29.460 -0.633 0.000 1.017 387 W HN -0.043 nan 8.180 nan 0.000 0.598 388 A N 0.906 123.675 122.820 -0.084 0.000 3.307 388 A HA 0.290 4.609 4.320 -0.001 0.000 0.289 388 A C -2.068 175.457 177.584 -0.099 0.000 1.138 388 A CA -0.649 51.357 52.037 -0.051 0.000 0.860 388 A CB 0.021 19.089 19.000 0.113 0.000 1.318 388 A HN -0.107 nan 8.150 nan 0.000 0.551 389 P HA -0.096 nan 4.420 nan 0.000 0.237 389 P C 1.080 178.272 177.300 -0.181 0.000 1.178 389 P CA 0.621 63.631 63.100 -0.150 0.000 0.766 389 P CB 0.369 31.976 31.700 -0.155 0.000 0.876 390 E N 0.074 120.108 120.200 -0.276 0.000 2.149 390 E HA -0.211 4.138 4.350 -0.001 0.000 0.215 390 E C -0.130 176.220 176.600 -0.417 0.000 1.055 390 E CA 1.342 57.470 56.400 -0.453 0.000 0.870 390 E CB -0.412 28.776 29.700 -0.853 0.000 0.764 390 E HN 0.346 nan 8.360 nan 0.000 0.463 391 Y N -0.562 119.671 120.300 -0.111 0.000 2.326 391 Y HA 0.195 4.744 4.550 -0.001 0.000 0.337 391 Y C -1.511 174.313 175.900 -0.126 0.000 1.023 391 Y CA -2.104 55.927 58.100 -0.114 0.000 1.143 391 Y CB 1.136 39.513 38.460 -0.140 0.000 1.183 391 Y HN 0.104 nan 8.280 nan 0.000 0.485 392 P HA 0.008 nan 4.420 nan 0.000 0.235 392 P C -0.047 177.249 177.300 -0.006 0.000 1.177 392 P CA 0.647 63.748 63.100 0.001 0.000 0.785 392 P CB 0.731 32.435 31.700 0.006 0.000 0.885 393 S N -2.115 113.583 115.700 -0.004 0.000 2.752 393 S HA 0.324 4.793 4.470 -0.001 0.000 0.284 393 S C 0.224 174.752 174.600 -0.121 0.000 1.189 393 S CA -0.609 57.568 58.200 -0.038 0.000 0.835 393 S CB -0.081 63.143 63.200 0.039 0.000 1.192 393 S HN -0.169 nan 8.310 nan 0.000 0.506 394 Y N 1.055 121.363 120.300 0.014 0.000 2.632 394 Y HA 0.370 4.919 4.550 -0.001 0.000 0.301 394 Y C 1.566 177.430 175.900 -0.061 0.000 1.172 394 Y CA 0.635 58.718 58.100 -0.028 0.000 1.328 394 Y CB -0.385 38.075 38.460 0.001 0.000 1.016 394 Y HN 0.791 nan 8.280 nan 0.000 0.529 395 A N 1.587 124.451 122.820 0.074 0.000 2.492 395 A HA 0.204 4.523 4.320 -0.001 0.000 0.254 395 A C -2.362 175.210 177.584 -0.021 0.000 1.091 395 A CA -1.376 50.685 52.037 0.040 0.000 0.768 395 A CB -0.339 18.691 19.000 0.050 0.000 1.028 395 A HN 0.029 nan 8.150 nan 0.000 0.498 396 P HA 0.054 nan 4.420 nan 0.000 0.263 396 P C -0.628 176.678 177.300 0.010 0.000 1.195 396 P CA 0.443 63.507 63.100 -0.060 0.000 0.762 396 P CB 0.383 32.076 31.700 -0.012 0.000 0.799 397 K N 3.252 123.678 120.400 0.044 0.000 2.354 397 K HA 0.195 4.515 4.320 -0.001 0.000 0.257 397 K C -0.338 176.340 176.600 0.129 0.000 1.062 397 K CA -0.395 55.969 56.287 0.129 0.000 0.971 397 K CB 0.256 32.900 32.500 0.239 0.000 1.305 397 K HN 0.427 nan 8.250 nan 0.000 0.449 398 D N 1.748 122.203 120.400 0.092 0.000 2.737 398 D HA -0.097 4.542 4.640 -0.001 0.000 0.243 398 D C -2.324 174.035 176.300 0.098 0.000 1.109 398 D CA 0.139 54.193 54.000 0.090 0.000 0.702 398 D CB -0.339 40.515 40.800 0.090 0.000 1.068 398 D HN 0.384 nan 8.370 nan 0.000 0.432 399 P HA 0.007 nan 4.420 nan 0.000 0.268 399 P C 1.491 178.873 177.300 0.138 0.000 1.205 399 P CA -0.203 62.964 63.100 0.113 0.000 0.771 399 P CB 1.075 32.846 31.700 0.118 0.000 0.858 400 V N 1.698 121.713 119.914 0.169 0.000 2.594 400 V HA -0.096 4.024 4.120 -0.001 0.000 0.253 400 V C 1.068 177.260 176.094 0.165 0.000 1.069 400 V CA 1.428 63.828 62.300 0.168 0.000 1.082 400 V CB -1.308 30.632 31.823 0.195 0.000 0.680 400 V HN 0.437 nan 8.190 nan 0.000 0.469 401 V N -2.438 117.589 119.914 0.188 0.000 2.960 401 V HA 0.593 4.713 4.120 -0.001 0.000 0.315 401 V C -0.360 175.826 176.094 0.154 0.000 1.087 401 V CA -0.893 61.502 62.300 0.158 0.000 0.982 401 V CB 1.732 33.646 31.823 0.152 0.000 1.039 401 V HN 0.249 nan 8.190 nan 0.000 0.437 402 D N 1.572 122.050 120.400 0.130 0.000 2.382 402 D HA 0.141 4.781 4.640 -0.001 0.000 0.259 402 D C 0.977 177.372 176.300 0.157 0.000 1.224 402 D CA 0.274 54.349 54.000 0.126 0.000 0.894 402 D CB 1.168 42.029 40.800 0.102 0.000 1.127 402 D HN 0.629 nan 8.370 nan 0.000 0.487 403 L N 3.444 124.769 121.223 0.170 0.000 2.072 403 L HA -0.168 4.171 4.340 -0.001 0.000 0.205 403 L C 2.140 179.159 176.870 0.249 0.000 1.079 403 L CA 1.037 56.017 54.840 0.232 0.000 0.752 403 L CB -0.354 41.815 42.059 0.183 0.000 0.906 403 L HN 0.485 nan 8.230 nan 0.000 0.436 404 E N 0.236 120.540 120.200 0.172 0.000 2.107 404 E HA -0.232 4.117 4.350 -0.001 0.000 0.191 404 E C 1.905 178.581 176.600 0.126 0.000 0.982 404 E CA 0.924 57.411 56.400 0.146 0.000 0.809 404 E CB -0.302 29.464 29.700 0.109 0.000 0.756 404 E HN 0.427 nan 8.360 nan 0.000 0.459 405 E N 1.144 121.413 120.200 0.116 0.000 2.031 405 E HA -0.254 4.095 4.350 -0.001 0.000 0.193 405 E C 2.116 178.781 176.600 0.108 0.000 0.994 405 E CA 1.174 57.633 56.400 0.099 0.000 0.800 405 E CB -0.226 29.527 29.700 0.088 0.000 0.752 405 E HN 0.303 nan 8.360 nan 0.000 0.447 406 A N 2.050 124.951 122.820 0.136 0.000 1.884 406 A HA -0.302 4.017 4.320 -0.001 0.000 0.219 406 A C 2.256 179.883 177.584 0.072 0.000 1.197 406 A CA 2.078 54.192 52.037 0.129 0.000 0.637 406 A CB -0.876 18.241 19.000 0.196 0.000 0.827 406 A HN 0.293 nan 8.150 nan 0.000 0.450 407 R N -0.571 119.962 120.500 0.055 0.000 2.097 407 R HA -0.201 4.138 4.340 -0.001 0.000 0.236 407 R C 2.496 178.855 176.300 0.100 0.000 1.135 407 R CA 2.033 58.133 56.100 -0.001 0.000 0.934 407 R CB -0.346 29.996 30.300 0.070 0.000 0.846 407 R HN 0.591 nan 8.270 nan 0.000 0.431 408 R N -0.155 120.403 120.500 0.097 0.000 2.096 408 R HA -0.175 4.165 4.340 -0.001 0.000 0.240 408 R C 2.577 178.926 176.300 0.083 0.000 1.139 408 R CA 1.788 57.940 56.100 0.086 0.000 0.952 408 R CB -0.510 29.831 30.300 0.068 0.000 0.854 408 R HN 0.289 nan 8.270 nan 0.000 0.436 409 R N 0.409 120.963 120.500 0.090 0.000 2.070 409 R HA -0.213 4.127 4.340 -0.001 0.000 0.233 409 R C 2.142 178.507 176.300 0.107 0.000 1.137 409 R CA 1.851 57.997 56.100 0.077 0.000 0.945 409 R CB -0.739 29.612 30.300 0.084 0.000 0.845 409 R HN 0.274 nan 8.270 nan 0.000 0.430 410 Y N 1.653 121.994 120.300 0.069 0.000 2.081 410 Y HA -0.261 4.289 4.550 -0.001 0.000 0.280 410 Y C 2.224 178.213 175.900 0.149 0.000 1.163 410 Y CA 2.207 60.394 58.100 0.144 0.000 1.135 410 Y CB -0.547 37.951 38.460 0.064 0.000 0.970 410 Y HN 0.066 nan 8.280 nan 0.000 0.498 411 L N -0.324 120.950 121.223 0.084 0.000 2.017 411 L HA -0.231 4.108 4.340 -0.001 0.000 0.208 411 L C 2.745 179.575 176.870 -0.066 0.000 1.073 411 L CA 1.453 56.328 54.840 0.058 0.000 0.745 411 L CB -0.610 41.577 42.059 0.214 0.000 0.894 411 L HN 0.159 nan 8.230 nan 0.000 0.432 412 R N 0.135 120.608 120.500 -0.045 0.000 2.154 412 R HA -0.243 4.097 4.340 -0.001 0.000 0.236 412 R C 2.290 178.470 176.300 -0.200 0.000 1.121 412 R CA 1.952 57.995 56.100 -0.095 0.000 0.915 412 R CB -0.936 29.324 30.300 -0.066 0.000 0.856 412 R HN 0.274 nan 8.270 nan 0.000 0.431 413 L N -0.008 121.071 121.223 -0.239 0.000 1.997 413 L HA -0.282 4.058 4.340 -0.001 0.000 0.216 413 L C 2.753 179.357 176.870 -0.444 0.000 1.074 413 L CA 1.769 56.373 54.840 -0.393 0.000 0.763 413 L CB -0.653 41.126 42.059 -0.468 0.000 0.890 413 L HN 0.348 nan 8.230 nan 0.000 0.434 414 A N 0.374 122.939 122.820 -0.425 0.000 1.898 414 A HA -0.138 4.181 4.320 -0.001 0.000 0.216 414 A C 1.749 178.880 177.584 -0.755 0.000 1.181 414 A CA 1.057 52.782 52.037 -0.520 0.000 0.620 414 A CB -0.469 18.153 19.000 -0.631 0.000 0.819 414 A HN 0.480 nan 8.150 nan 0.000 0.442 415 R N -0.378 119.737 120.500 -0.641 0.000 4.464 415 R HA 0.231 4.570 4.340 -0.001 0.000 0.229 415 R C -0.285 175.843 176.300 -0.286 0.000 1.916 415 R CA 0.627 56.426 56.100 -0.502 0.000 1.601 415 R CB -0.261 29.985 30.300 -0.089 0.000 1.315 415 R HN 0.466 nan 8.270 nan 0.000 0.725 416 D N -0.517 119.679 120.400 -0.341 0.000 1.865 416 D HA -0.023 4.617 4.640 -0.001 0.000 0.724 416 D C 0.947 177.055 176.300 -0.320 0.000 0.664 416 D CA 0.113 53.947 54.000 -0.276 0.000 1.254 416 D CB 0.024 40.660 40.800 -0.273 0.000 1.302 416 D HN 0.252 nan 8.370 nan 0.000 0.400 417 L N 0.875 121.836 121.223 -0.437 0.000 2.286 417 L HA 0.356 4.696 4.340 -0.001 0.000 0.203 417 L C 2.582 179.210 176.870 -0.402 0.000 1.068 417 L CA 1.105 55.665 54.840 -0.468 0.000 0.811 417 L CB -0.096 41.549 42.059 -0.690 0.000 0.989 417 L HN -0.020 nan 8.230 nan 0.000 0.467 418 A N 0.361 122.927 122.820 -0.423 0.000 2.119 418 A HA 0.020 4.339 4.320 -0.001 0.000 0.217 418 A C 1.038 178.569 177.584 -0.089 0.000 1.153 418 A CA 0.476 52.393 52.037 -0.200 0.000 0.692 418 A CB -0.229 18.708 19.000 -0.104 0.000 0.799 418 A HN 0.278 nan 8.150 nan 0.000 0.458 419 R N -1.484 118.941 120.500 -0.125 0.000 2.668 419 R HA 0.573 4.912 4.340 -0.001 0.000 0.279 419 R C 0.467 176.714 176.300 -0.089 0.000 0.976 419 R CA -0.054 56.005 56.100 -0.068 0.000 0.978 419 R CB 1.055 31.328 30.300 -0.045 0.000 1.133 419 R HN 0.542 nan 8.270 nan 0.000 0.484 420 G N 0.000 108.765 108.800 -0.059 0.000 5.446 420 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 420 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 420 G CA 0.000 45.062 45.100 -0.063 0.000 0.502 420 G HN 0.000 nan 8.290 nan 0.000 0.925