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 1hr9_1_G DATA FIRST_RESID 14 DATA SEQUENCE ARTDNFKLSS LANGLKVATS NTPGHFSALG LYIDAGSRFE GRNLKGCTHI DATA SEQUENCE LDRLAFKSTE HVEGRAMAET LELLGGNYQC TSSRENLMYQ ASVFNQDVGK DATA SEQUENCE MLQLMSETVR FPKITEQELQ EQKLSAEYEI DEVWMKPELV LPELLHTAAY DATA SEQUENCE SGETLGSPLI CPRGLIPSIS KYYLLDYRNK FYTPENTVAA FVGVPHEKAL DATA SEQUENCE ELTGKYLGDW QSTHPPITKK VAQYTGGESC IPPAPVFGNL PELFHIQIGF DATA SEQUENCE EGLPIDHPDI YALATLQTLL GGGGSXXXXG PGKGMYSRLY THVLNQYYFV DATA SEQUENCE ENCVAFNHSY SDSGIFGISL SCIPQAAPQA VEVIAQQMYN TFANKDLRLT DATA SEQUENCE EDEVSRAKNQ LKSSLLMNLE SKLVELEDMG RQVLMHGRKI PVNEMISKIE DATA SEQUENCE DLKPDDISRV AEMIFTGNVN NAGNGKGRAT VVMQGDRGSF GDVENVLKAY DATA SEQUENCE GLGNS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 14 A HA 0.000 nan 4.320 nan 0.000 0.244 14 A C 0.000 177.661 177.584 0.129 0.000 1.274 14 A CA 0.000 52.200 52.037 0.271 0.000 0.836 14 A CB 0.000 19.030 19.000 0.050 0.000 0.831 15 R N -1.557 118.997 120.500 0.090 0.000 3.359 15 R HA 0.110 4.450 4.340 -0.000 0.000 0.098 15 R C 0.620 176.945 176.300 0.041 0.000 0.779 15 R CA 1.936 58.067 56.100 0.051 0.000 1.967 15 R CB -0.263 30.054 30.300 0.028 0.000 1.617 15 R HN 0.279 nan 8.270 nan 0.000 0.469 16 T N 0.669 115.247 114.554 0.040 0.000 2.969 16 T HA 0.152 4.502 4.350 -0.000 0.000 0.258 16 T C 0.638 175.364 174.700 0.043 0.000 0.962 16 T CA 0.121 62.239 62.100 0.031 0.000 0.903 16 T CB 0.694 69.573 68.868 0.018 0.000 1.177 16 T HN 0.056 nan 8.240 nan 0.000 0.511 17 D N 2.436 122.874 120.400 0.063 0.000 2.133 17 D HA -0.134 4.506 4.640 -0.000 0.000 0.195 17 D C 1.154 177.520 176.300 0.109 0.000 0.997 17 D CA 1.406 55.459 54.000 0.088 0.000 0.840 17 D CB -0.199 40.675 40.800 0.124 0.000 0.947 17 D HN 0.402 nan 8.370 nan 0.000 0.452 18 N N -1.480 117.289 118.700 0.114 0.000 2.926 18 N HA -0.224 4.516 4.740 -0.000 0.000 0.249 18 N C -0.832 174.750 175.510 0.120 0.000 1.100 18 N CA 0.107 53.206 53.050 0.083 0.000 0.777 18 N CB -2.147 36.375 38.487 0.058 0.000 1.112 18 N HN 0.137 nan 8.380 nan 0.000 0.552 19 F N 1.957 121.911 119.950 0.005 0.000 2.472 19 F HA 0.446 4.973 4.527 -0.000 0.000 0.364 19 F C 0.321 176.103 175.800 -0.030 0.000 1.090 19 F CA 0.062 58.069 58.000 0.012 0.000 1.188 19 F CB 0.422 39.433 39.000 0.018 0.000 1.105 19 F HN 0.040 nan 8.300 nan 0.000 0.536 20 K N 6.495 126.462 120.400 -0.721 0.000 2.371 20 K HA 0.671 4.991 4.320 -0.000 0.000 0.251 20 K C -1.904 174.143 176.600 -0.922 0.000 0.934 20 K CA -1.194 54.578 56.287 -0.858 0.000 0.798 20 K CB 2.542 34.516 32.500 -0.877 0.000 1.204 20 K HN 0.586 nan 8.250 nan 0.000 0.427 21 L N 1.419 122.216 121.223 -0.710 0.000 2.439 21 L HA 0.460 4.800 4.340 -0.000 0.000 0.270 21 L C -1.114 175.719 176.870 -0.062 0.000 0.972 21 L CA 0.147 54.817 54.840 -0.284 0.000 0.836 21 L CB 1.777 43.680 42.059 -0.261 0.000 1.255 21 L HN 0.822 nan 8.230 nan 0.000 0.404 22 S N 2.039 117.819 115.700 0.133 0.000 2.851 22 S HA 0.930 5.400 4.470 -0.000 0.000 0.317 22 S C -0.688 173.965 174.600 0.088 0.000 1.144 22 S CA -0.823 57.446 58.200 0.113 0.000 0.862 22 S CB 1.712 65.030 63.200 0.197 0.000 1.259 22 S HN 0.578 nan 8.310 nan 0.000 0.564 23 S N -0.073 115.665 115.700 0.063 0.000 2.569 23 S HA 0.611 5.081 4.470 -0.000 0.000 0.280 23 S C -0.927 173.695 174.600 0.038 0.000 1.111 23 S CA -0.842 57.387 58.200 0.049 0.000 0.887 23 S CB 0.985 64.205 63.200 0.034 0.000 1.095 23 S HN 0.607 nan 8.310 nan 0.000 0.476 24 L N 1.553 122.798 121.223 0.037 0.000 2.416 24 L HA 0.472 4.812 4.340 -0.000 0.000 0.262 24 L C 1.664 178.545 176.870 0.019 0.000 1.093 24 L CA -0.696 54.163 54.840 0.032 0.000 0.801 24 L CB 0.609 42.697 42.059 0.049 0.000 1.191 24 L HN 0.928 nan 8.230 nan 0.000 0.459 25 A N 1.641 124.470 122.820 0.016 0.000 1.986 25 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 25 A C 1.571 179.154 177.584 -0.003 0.000 1.171 25 A CA 2.016 54.058 52.037 0.009 0.000 0.640 25 A CB -0.815 18.192 19.000 0.012 0.000 0.811 25 A HN 0.937 nan 8.150 nan 0.000 0.451 26 N N -1.135 117.561 118.700 -0.007 0.000 2.521 26 N HA 0.238 4.978 4.740 -0.000 0.000 0.188 26 N C 0.994 176.449 175.510 -0.092 0.000 1.146 26 N CA 1.304 54.324 53.050 -0.050 0.000 0.893 26 N CB -0.335 38.117 38.487 -0.059 0.000 0.975 26 N HN 0.825 nan 8.380 nan 0.000 0.451 27 G N -0.809 107.959 108.800 -0.053 0.000 2.195 27 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.224 27 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.224 27 G C -0.339 174.532 174.900 -0.048 0.000 0.990 27 G CA 0.055 45.118 45.100 -0.062 0.000 0.639 27 G HN 0.442 nan 8.290 nan 0.000 0.514 28 L N 2.126 123.333 121.223 -0.027 0.000 2.477 28 L HA 0.524 4.864 4.340 -0.000 0.000 0.272 28 L C 0.601 177.507 176.870 0.060 0.000 1.157 28 L CA 0.108 54.964 54.840 0.026 0.000 0.889 28 L CB 0.258 42.376 42.059 0.098 0.000 1.158 28 L HN 0.194 nan 8.230 nan 0.000 0.473 29 K N 4.144 124.587 120.400 0.071 0.000 2.234 29 K HA 0.482 4.802 4.320 -0.000 0.000 0.282 29 K C -1.070 175.610 176.600 0.134 0.000 1.039 29 K CA -0.634 55.707 56.287 0.090 0.000 0.928 29 K CB 1.464 34.013 32.500 0.082 0.000 1.039 29 K HN 0.404 nan 8.250 nan 0.000 0.470 30 V N 2.383 122.382 119.914 0.141 0.000 2.384 30 V HA 0.543 4.662 4.120 -0.000 0.000 0.287 30 V C -0.533 175.690 176.094 0.216 0.000 1.020 30 V CA -0.804 61.606 62.300 0.183 0.000 0.850 30 V CB 1.353 33.227 31.823 0.085 0.000 0.987 30 V HN 0.888 nan 8.190 nan 0.000 0.436 31 A N 3.716 126.706 122.820 0.283 0.000 2.356 31 A HA 0.920 5.240 4.320 -0.000 0.000 0.310 31 A C -0.085 177.719 177.584 0.367 0.000 1.075 31 A CA -0.491 51.716 52.037 0.283 0.000 0.746 31 A CB 1.694 20.888 19.000 0.323 0.000 1.221 31 A HN 0.869 nan 8.150 nan 0.000 0.443 32 T N -0.547 114.195 114.554 0.313 0.000 2.907 32 T HA 0.877 5.227 4.350 -0.000 0.000 0.292 32 T C -0.254 174.614 174.700 0.279 0.000 1.043 32 T CA -0.217 62.075 62.100 0.320 0.000 1.003 32 T CB 1.541 70.574 68.868 0.274 0.000 1.084 32 T HN 1.681 nan 8.240 nan 0.000 0.483 33 S N 1.763 117.621 115.700 0.264 0.000 2.570 33 S HA 0.754 5.224 4.470 -0.000 0.000 0.270 33 S C -0.704 173.987 174.600 0.153 0.000 1.149 33 S CA -0.857 57.488 58.200 0.243 0.000 0.837 33 S CB 1.598 64.971 63.200 0.290 0.000 1.124 33 S HN 1.267 nan 8.310 nan 0.000 0.465 34 N N -0.364 118.404 118.700 0.113 0.000 6.627 34 N HA -0.150 4.590 4.740 -0.000 0.000 0.413 34 N C -0.624 174.913 175.510 0.045 0.000 0.988 34 N CA 1.265 54.353 53.050 0.064 0.000 1.716 34 N CB -1.001 37.516 38.487 0.049 0.000 0.767 34 N HN 1.346 nan 8.380 nan 0.000 0.427 35 T N -1.576 112.986 114.554 0.014 0.000 2.927 35 T HA 0.736 5.086 4.350 -0.000 0.000 0.286 35 T C -2.742 171.944 174.700 -0.023 0.000 1.040 35 T CA -1.322 60.778 62.100 0.001 0.000 1.010 35 T CB 1.602 70.464 68.868 -0.009 0.000 1.177 35 T HN 0.344 nan 8.240 nan 0.000 0.546 36 P HA 0.356 nan 4.420 nan 0.000 0.263 36 P C 0.116 177.354 177.300 -0.104 0.000 1.175 36 P CA 0.428 63.504 63.100 -0.040 0.000 0.761 36 P CB 0.163 31.849 31.700 -0.022 0.000 0.794 37 G N 1.015 109.731 108.800 -0.141 0.000 3.135 37 G HA2 0.167 4.126 3.960 -0.000 0.000 0.278 37 G HA3 0.167 4.126 3.960 -0.000 0.000 0.278 37 G C 0.370 175.113 174.900 -0.262 0.000 1.302 37 G CA -0.249 44.679 45.100 -0.287 0.000 0.880 37 G HN 0.474 nan 8.290 nan 0.000 0.574 38 H N -0.774 118.219 119.070 -0.129 0.000 2.491 38 H HA 0.099 4.655 4.556 -0.000 0.000 0.290 38 H C 0.497 175.943 175.328 0.195 0.000 1.050 38 H CA 1.566 57.636 56.048 0.037 0.000 1.309 38 H CB -0.121 29.699 29.762 0.095 0.000 1.392 38 H HN 0.353 nan 8.280 nan 0.000 0.554 39 F N -2.315 117.742 119.950 0.178 0.000 2.779 39 F HA 0.637 5.164 4.527 -0.000 0.000 0.316 39 F C -0.815 175.029 175.800 0.073 0.000 1.164 39 F CA -1.424 56.645 58.000 0.115 0.000 0.924 39 F CB 1.035 40.029 39.000 -0.010 0.000 1.348 39 F HN -0.338 nan 8.300 nan 0.000 0.467 40 S N -0.044 115.886 115.700 0.384 0.000 2.677 40 S HA 0.973 5.443 4.470 -0.000 0.000 0.304 40 S C -0.993 173.799 174.600 0.321 0.000 1.108 40 S CA -0.463 57.896 58.200 0.265 0.000 0.944 40 S CB 1.713 65.043 63.200 0.216 0.000 1.127 40 S HN 1.121 nan 8.310 nan 0.000 0.511 41 A N 1.135 124.100 122.820 0.242 0.000 2.449 41 A HA 0.907 5.227 4.320 -0.000 0.000 0.302 41 A C -1.065 176.609 177.584 0.150 0.000 1.048 41 A CA -0.842 51.314 52.037 0.198 0.000 0.708 41 A CB 0.843 19.965 19.000 0.203 0.000 1.274 41 A HN 1.082 nan 8.150 nan 0.000 0.410 42 L N -0.856 120.409 121.223 0.070 0.000 2.568 42 L HA 1.062 5.402 4.340 -0.000 0.000 0.257 42 L C -0.291 176.526 176.870 -0.088 0.000 1.024 42 L CA -0.545 54.233 54.840 -0.104 0.000 0.854 42 L CB 1.954 43.901 42.059 -0.186 0.000 1.460 42 L HN 1.448 nan 8.230 nan 0.000 0.409 43 G N 0.940 109.636 108.800 -0.173 0.000 2.616 43 G HA2 0.521 4.481 3.960 -0.000 0.000 0.294 43 G HA3 0.521 4.481 3.960 -0.000 0.000 0.294 43 G C -2.019 172.735 174.900 -0.243 0.000 1.489 43 G CA -0.898 44.091 45.100 -0.185 0.000 0.836 43 G HN 0.656 nan 8.290 nan 0.000 0.527 44 L N 0.536 121.571 121.223 -0.313 0.000 2.309 44 L HA 0.571 4.911 4.340 -0.000 0.000 0.282 44 L C -1.063 175.590 176.870 -0.362 0.000 1.036 44 L CA -0.923 53.812 54.840 -0.174 0.000 0.806 44 L CB 1.530 43.498 42.059 -0.151 0.000 1.220 44 L HN 0.518 nan 8.230 nan 0.000 0.429 45 Y N 3.482 123.816 120.300 0.057 0.000 2.326 45 Y HA 0.521 5.071 4.550 -0.000 0.000 0.331 45 Y C 0.004 175.918 175.900 0.023 0.000 0.962 45 Y CA -0.545 57.587 58.100 0.052 0.000 1.167 45 Y CB 1.350 39.830 38.460 0.034 0.000 1.148 45 Y HN 0.341 nan 8.280 nan 0.000 0.463 46 I N 2.508 123.132 120.570 0.092 0.000 2.437 46 I HA 0.192 4.362 4.170 -0.000 0.000 0.298 46 I C -0.157 175.971 176.117 0.017 0.000 0.984 46 I CA -0.745 60.552 61.300 -0.005 0.000 1.214 46 I CB 1.467 39.356 38.000 -0.185 0.000 1.365 46 I HN 0.524 nan 8.210 nan 0.000 0.469 47 D N 5.308 125.700 120.400 -0.015 0.000 2.619 47 D HA 0.489 5.129 4.640 -0.000 0.000 0.224 47 D C -0.269 175.944 176.300 -0.145 0.000 1.133 47 D CA 0.079 54.068 54.000 -0.018 0.000 1.017 47 D CB 0.157 40.936 40.800 -0.034 0.000 1.077 47 D HN 0.624 nan 8.370 nan 0.000 0.503 48 A N 0.787 123.572 122.820 -0.059 0.000 2.686 48 A HA 1.027 5.347 4.320 -0.000 0.000 0.263 48 A C 0.324 178.018 177.584 0.183 0.000 1.264 48 A CA -0.201 51.736 52.037 -0.166 0.000 0.799 48 A CB 1.236 20.131 19.000 -0.176 0.000 1.363 48 A HN 0.689 nan 8.150 nan 0.000 0.507 49 G N -2.191 106.724 108.800 0.192 0.000 2.351 49 G HA2 0.450 4.410 3.960 -0.000 0.000 0.353 49 G HA3 0.450 4.410 3.960 -0.000 0.000 0.353 49 G C 0.528 175.448 174.900 0.032 0.000 1.358 49 G CA 0.598 45.754 45.100 0.094 0.000 0.995 49 G HN 1.966 nan 8.290 nan 0.000 0.611 50 S N -0.504 115.156 115.700 -0.067 0.000 2.440 50 S HA -0.191 4.279 4.470 -0.000 0.000 0.238 50 S C 2.039 176.519 174.600 -0.200 0.000 1.010 50 S CA 1.712 59.857 58.200 -0.093 0.000 0.972 50 S CB -0.301 62.821 63.200 -0.130 0.000 0.774 50 S HN 1.248 nan 8.310 nan 0.000 0.501 51 R N -0.029 120.215 120.500 -0.426 0.000 2.339 51 R HA 0.117 4.457 4.340 -0.000 0.000 0.199 51 R C 0.379 176.293 176.300 -0.645 0.000 1.018 51 R CA 0.870 56.604 56.100 -0.611 0.000 1.036 51 R CB -0.539 29.251 30.300 -0.849 0.000 0.899 51 R HN 0.506 nan 8.270 nan 0.000 0.473 52 F N 0.551 120.433 119.950 -0.115 0.000 2.688 52 F HA 0.360 4.887 4.527 -0.000 0.000 0.310 52 F C 1.116 176.940 175.800 0.040 0.000 1.098 52 F CA -0.676 57.278 58.000 -0.076 0.000 1.228 52 F CB 0.529 39.347 39.000 -0.304 0.000 1.042 52 F HN 0.008 nan 8.300 nan 0.000 0.557 53 E N 0.634 120.940 120.200 0.176 0.000 2.285 53 E HA 0.169 4.519 4.350 -0.000 0.000 0.194 53 E C 1.770 178.463 176.600 0.154 0.000 0.997 53 E CA 0.482 57.014 56.400 0.220 0.000 0.845 53 E CB -0.108 29.680 29.700 0.147 0.000 0.782 53 E HN 0.380 nan 8.360 nan 0.000 0.491 54 G N 1.376 110.237 108.800 0.101 0.000 2.601 54 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.261 54 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.261 54 G C 0.374 175.299 174.900 0.042 0.000 1.289 54 G CA 0.375 45.519 45.100 0.074 0.000 0.920 54 G HN 0.271 nan 8.290 nan 0.000 0.571 55 R N 0.083 120.601 120.500 0.031 0.000 2.223 55 R HA 0.096 4.436 4.340 -0.000 0.000 0.198 55 R C 2.379 178.664 176.300 -0.026 0.000 0.984 55 R CA 0.735 56.837 56.100 0.004 0.000 1.018 55 R CB -0.147 30.157 30.300 0.007 0.000 0.945 55 R HN 0.489 nan 8.270 nan 0.000 0.479 56 N N 0.659 119.352 118.700 -0.011 0.000 2.216 56 N HA -0.074 4.665 4.740 -0.000 0.000 0.183 56 N C 1.119 176.511 175.510 -0.198 0.000 1.017 56 N CA 1.055 54.055 53.050 -0.083 0.000 0.861 56 N CB 0.167 38.673 38.487 0.032 0.000 0.986 56 N HN 0.189 nan 8.380 nan 0.000 0.428 57 L N 0.256 121.464 121.223 -0.024 0.000 2.818 57 L HA 0.230 4.570 4.340 -0.000 0.000 0.243 57 L C 0.283 177.166 176.870 0.022 0.000 1.185 57 L CA -0.484 54.377 54.840 0.034 0.000 0.988 57 L CB 0.051 42.284 42.059 0.290 0.000 1.292 57 L HN -0.162 nan 8.230 nan 0.000 0.519 58 K N 1.632 122.014 120.400 -0.030 0.000 2.491 58 K HA 0.148 4.468 4.320 -0.000 0.000 0.279 58 K C 1.158 177.741 176.600 -0.030 0.000 1.026 58 K CA 1.116 57.391 56.287 -0.020 0.000 1.070 58 K CB 0.063 32.544 32.500 -0.032 0.000 0.887 58 K HN 0.323 nan 8.250 nan 0.000 0.481 59 G N 2.688 111.478 108.800 -0.016 0.000 2.217 59 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.246 59 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.246 59 G C 1.423 176.304 174.900 -0.033 0.000 0.990 59 G CA 0.165 45.260 45.100 -0.009 0.000 0.627 59 G HN 0.641 nan 8.290 nan 0.000 0.522 60 C N 0.943 120.189 119.300 -0.090 0.000 2.432 60 C HA 0.044 4.504 4.460 -0.000 0.000 0.277 60 C C 3.063 177.824 174.990 -0.381 0.000 1.249 60 C CA 2.188 61.068 59.018 -0.230 0.000 1.725 60 C CB -1.313 26.257 27.740 -0.284 0.000 2.028 60 C HN 0.663 nan 8.230 nan 0.000 0.477 61 T N -0.580 113.746 114.554 -0.379 0.000 2.699 61 T HA -0.257 4.093 4.350 -0.000 0.000 0.268 61 T C 1.617 176.261 174.700 -0.094 0.000 1.036 61 T CA 2.226 64.168 62.100 -0.263 0.000 1.147 61 T CB -0.499 68.345 68.868 -0.040 0.000 0.862 61 T HN 0.684 nan 8.240 nan 0.000 0.446 62 H N 1.027 120.016 119.070 -0.135 0.000 2.299 62 H HA 0.062 4.618 4.556 -0.000 0.000 0.302 62 H C 2.091 177.365 175.328 -0.090 0.000 1.078 62 H CA 1.124 57.113 56.048 -0.098 0.000 1.323 62 H CB -0.471 29.244 29.762 -0.078 0.000 1.381 62 H HN 0.147 nan 8.280 nan 0.000 0.498 63 I N 0.403 120.876 120.570 -0.161 0.000 2.264 63 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 63 I C 2.440 178.447 176.117 -0.184 0.000 1.111 63 I CA 1.082 62.262 61.300 -0.199 0.000 1.382 63 I CB -1.002 36.937 38.000 -0.101 0.000 1.060 63 I HN 0.342 nan 8.210 nan 0.000 0.418 64 L N 0.732 121.854 121.223 -0.167 0.000 2.093 64 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 64 L C 2.221 179.038 176.870 -0.089 0.000 1.085 64 L CA 1.807 56.575 54.840 -0.119 0.000 0.755 64 L CB -0.580 41.411 42.059 -0.113 0.000 0.904 64 L HN 0.329 nan 8.230 nan 0.000 0.435 65 D N -0.532 119.790 120.400 -0.131 0.000 2.224 65 D HA -0.226 4.414 4.640 -0.000 0.000 0.205 65 D C 2.152 178.358 176.300 -0.156 0.000 0.965 65 D CA 0.816 54.722 54.000 -0.156 0.000 0.852 65 D CB -0.001 40.705 40.800 -0.157 0.000 0.947 65 D HN -0.068 nan 8.370 nan 0.000 0.494 66 R N -0.892 119.473 120.500 -0.225 0.000 2.276 66 R HA 0.230 4.570 4.340 -0.000 0.000 0.203 66 R C 1.163 177.412 176.300 -0.084 0.000 1.017 66 R CA 0.279 56.264 56.100 -0.190 0.000 1.010 66 R CB -0.227 29.880 30.300 -0.322 0.000 0.900 66 R HN 0.200 nan 8.270 nan 0.000 0.469 67 L N -0.298 120.881 121.223 -0.074 0.000 2.607 67 L HA 0.442 4.782 4.340 -0.000 0.000 0.228 67 L C 0.106 176.981 176.870 0.008 0.000 1.123 67 L CA -0.078 54.742 54.840 -0.033 0.000 0.890 67 L CB -0.481 41.543 42.059 -0.058 0.000 1.103 67 L HN 0.045 nan 8.230 nan 0.000 0.468 68 A N -1.277 121.563 122.820 0.033 0.000 2.466 68 A HA 0.264 4.584 4.320 -0.000 0.000 0.238 68 A C 0.350 178.025 177.584 0.151 0.000 1.074 68 A CA -0.074 51.984 52.037 0.035 0.000 0.774 68 A CB -0.532 18.501 19.000 0.054 0.000 1.015 68 A HN 0.346 nan 8.150 nan 0.000 0.498 69 F N -1.210 118.813 119.950 0.123 0.000 3.093 69 F HA -0.217 4.310 4.527 -0.000 0.000 0.287 69 F C 1.036 176.853 175.800 0.028 0.000 0.882 69 F CA 1.432 59.462 58.000 0.049 0.000 1.063 69 F CB -1.649 37.387 39.000 0.061 0.000 1.097 69 F HN 0.559 nan 8.300 nan 0.000 0.604 70 K N 0.131 120.601 120.400 0.116 0.000 2.720 70 K HA 0.615 4.935 4.320 -0.000 0.000 0.281 70 K C 0.812 177.436 176.600 0.040 0.000 1.019 70 K CA 0.048 56.380 56.287 0.076 0.000 1.088 70 K CB 0.148 32.673 32.500 0.041 0.000 1.449 70 K HN 0.106 nan 8.250 nan 0.000 0.542 71 S N 0.224 115.936 115.700 0.019 0.000 2.568 71 S HA 0.166 4.636 4.470 -0.000 0.000 0.282 71 S C 0.394 174.989 174.600 -0.008 0.000 1.338 71 S CA -0.270 57.932 58.200 0.005 0.000 1.045 71 S CB 0.058 63.255 63.200 -0.005 0.000 0.873 71 S HN 0.615 nan 8.310 nan 0.000 0.516 72 T N -1.310 113.237 114.554 -0.012 0.000 2.838 72 T HA 0.489 4.839 4.350 -0.000 0.000 0.292 72 T C 0.569 175.217 174.700 -0.086 0.000 1.113 72 T CA -0.898 61.193 62.100 -0.015 0.000 1.008 72 T CB 1.203 70.093 68.868 0.036 0.000 1.259 72 T HN 0.424 nan 8.240 nan 0.000 0.520 73 E N 0.475 120.577 120.200 -0.163 0.000 2.171 73 E HA -0.155 4.195 4.350 -0.000 0.000 0.197 73 E C 1.208 177.445 176.600 -0.605 0.000 0.997 73 E CA 1.864 57.998 56.400 -0.443 0.000 0.810 73 E CB -0.285 28.980 29.700 -0.725 0.000 0.738 73 E HN 0.830 nan 8.360 nan 0.000 0.467 74 H N -1.995 117.001 119.070 -0.124 0.000 2.755 74 H HA 0.273 4.829 4.556 -0.000 0.000 0.273 74 H C -0.389 174.901 175.328 -0.062 0.000 1.055 74 H CA -0.204 55.774 56.048 -0.116 0.000 1.191 74 H CB 1.105 30.770 29.762 -0.161 0.000 1.536 74 H HN -0.191 nan 8.280 nan 0.000 0.529 75 V N 1.496 121.426 119.914 0.028 0.000 2.623 75 V HA 0.132 4.252 4.120 -0.000 0.000 0.304 75 V C -0.177 175.919 176.094 0.003 0.000 1.054 75 V CA -1.149 61.164 62.300 0.022 0.000 0.882 75 V CB 2.399 34.239 31.823 0.029 0.000 1.002 75 V HN 0.161 nan 8.190 nan 0.000 0.424 76 E N 2.377 122.577 120.200 0.000 0.000 2.415 76 E HA 0.120 4.470 4.350 -0.000 0.000 0.262 76 E C 1.390 177.994 176.600 0.006 0.000 1.038 76 E CA 0.761 57.160 56.400 -0.002 0.000 0.921 76 E CB 1.385 31.084 29.700 -0.002 0.000 0.950 76 E HN 0.839 nan 8.360 nan 0.000 0.438 77 G N 3.393 112.197 108.800 0.007 0.000 2.529 77 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.219 77 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.219 77 G C 1.513 176.425 174.900 0.020 0.000 1.177 77 G CA 1.185 46.295 45.100 0.017 0.000 0.773 77 G HN 0.520 nan 8.290 nan 0.000 0.573 78 R N 0.528 121.036 120.500 0.013 0.000 2.073 78 R HA -0.009 4.331 4.340 -0.000 0.000 0.234 78 R C 2.954 179.260 176.300 0.010 0.000 1.134 78 R CA 1.563 57.671 56.100 0.013 0.000 0.952 78 R CB -0.465 29.840 30.300 0.009 0.000 0.850 78 R HN 0.305 nan 8.270 nan 0.000 0.433 79 A N 0.813 123.637 122.820 0.007 0.000 1.908 79 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 79 A C 2.098 179.681 177.584 -0.001 0.000 1.181 79 A CA 1.794 53.832 52.037 0.003 0.000 0.627 79 A CB -0.550 18.451 19.000 0.003 0.000 0.818 79 A HN 0.475 nan 8.150 nan 0.000 0.445 80 M N 0.236 119.840 119.600 0.006 0.000 2.086 80 M HA -0.056 4.424 4.480 -0.000 0.000 0.261 80 M C 2.154 178.443 176.300 -0.018 0.000 1.067 80 M CA 1.903 57.206 55.300 0.005 0.000 1.116 80 M CB -0.680 31.945 32.600 0.041 0.000 1.348 80 M HN 0.375 nan 8.290 nan 0.000 0.407 81 A N -0.260 122.563 122.820 0.006 0.000 1.845 81 A HA -0.194 4.126 4.320 -0.000 0.000 0.215 81 A C 2.053 179.635 177.584 -0.003 0.000 1.195 81 A CA 2.035 54.079 52.037 0.011 0.000 0.616 81 A CB -1.058 17.963 19.000 0.035 0.000 0.832 81 A HN 0.673 nan 8.150 nan 0.000 0.443 82 E N -0.834 119.367 120.200 0.000 0.000 2.153 82 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 82 E C 1.950 178.543 176.600 -0.012 0.000 0.988 82 E CA 1.521 57.921 56.400 0.000 0.000 0.811 82 E CB -0.274 29.428 29.700 0.003 0.000 0.746 82 E HN 0.634 nan 8.360 nan 0.000 0.466 83 T N 1.140 115.678 114.554 -0.028 0.000 2.896 83 T HA -0.022 4.328 4.350 -0.000 0.000 0.263 83 T C 1.922 176.580 174.700 -0.071 0.000 1.050 83 T CA 0.490 62.568 62.100 -0.038 0.000 1.140 83 T CB -0.026 68.817 68.868 -0.042 0.000 0.877 83 T HN 0.083 nan 8.240 nan 0.000 0.457 84 L N 0.760 121.906 121.223 -0.129 0.000 2.093 84 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 84 L C 2.758 179.595 176.870 -0.056 0.000 1.085 84 L CA 1.253 55.954 54.840 -0.231 0.000 0.755 84 L CB -0.494 41.244 42.059 -0.535 0.000 0.904 84 L HN 0.315 nan 8.230 nan 0.000 0.435 85 E N 0.287 120.486 120.200 -0.002 0.000 2.058 85 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 85 E C 2.188 178.807 176.600 0.031 0.000 0.997 85 E CA 1.157 57.578 56.400 0.035 0.000 0.801 85 E CB -0.178 29.539 29.700 0.027 0.000 0.746 85 E HN 0.489 nan 8.360 nan 0.000 0.450 86 L N 0.710 121.944 121.223 0.018 0.000 2.549 86 L HA -0.094 4.245 4.340 -0.000 0.000 0.229 86 L C 1.750 178.651 176.870 0.052 0.000 1.158 86 L CA 0.375 55.233 54.840 0.030 0.000 0.842 86 L CB -0.115 41.955 42.059 0.018 0.000 0.952 86 L HN 0.129 nan 8.230 nan 0.000 0.452 87 L N -0.766 120.481 121.223 0.040 0.000 2.700 87 L HA 0.281 4.621 4.340 -0.000 0.000 0.234 87 L C 1.396 178.310 176.870 0.073 0.000 1.156 87 L CA 0.381 55.260 54.840 0.064 0.000 0.946 87 L CB 0.128 42.190 42.059 0.006 0.000 1.216 87 L HN 0.367 nan 8.230 nan 0.000 0.493 88 G N -0.526 108.320 108.800 0.077 0.000 2.194 88 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.236 88 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.236 88 G C 0.966 175.880 174.900 0.023 0.000 0.987 88 G CA -0.066 45.064 45.100 0.051 0.000 0.635 88 G HN 0.560 nan 8.290 nan 0.000 0.520 89 G N -0.188 108.657 108.800 0.076 0.000 2.296 89 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.282 89 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.282 89 G C 0.187 175.118 174.900 0.051 0.000 1.014 89 G CA 1.160 46.365 45.100 0.176 0.000 0.812 89 G HN 1.637 nan 8.290 nan 0.000 0.508 90 N N 0.240 118.954 118.700 0.024 0.000 3.229 90 N HA 0.506 5.245 4.740 -0.000 0.000 0.275 90 N C -0.285 175.201 175.510 -0.040 0.000 1.225 90 N CA -0.675 52.317 53.050 -0.098 0.000 1.119 90 N CB -0.187 38.207 38.487 -0.155 0.000 1.392 90 N HN 0.623 nan 8.380 nan 0.000 0.520 91 Y N -0.706 119.483 120.300 -0.185 0.000 2.588 91 Y HA 0.654 5.203 4.550 -0.000 0.000 0.343 91 Y C -1.128 174.672 175.900 -0.167 0.000 1.065 91 Y CA -1.223 56.756 58.100 -0.203 0.000 1.038 91 Y CB 0.936 39.169 38.460 -0.379 0.000 1.297 91 Y HN 0.292 nan 8.280 nan 0.000 0.467 92 Q N 0.988 120.789 119.800 0.001 0.000 2.578 92 Q HA 0.610 4.950 4.340 -0.000 0.000 0.284 92 Q C -2.161 173.925 176.000 0.142 0.000 0.960 92 Q CA -0.905 54.893 55.803 -0.008 0.000 0.809 92 Q CB 1.986 30.657 28.738 -0.112 0.000 1.462 92 Q HN 1.080 nan 8.270 nan 0.000 0.392 93 C N 1.867 121.209 119.300 0.070 0.000 2.441 93 C HA 0.969 5.429 4.460 -0.000 0.000 0.318 93 C C -0.654 174.238 174.990 -0.164 0.000 1.222 93 C CA 0.708 59.620 59.018 -0.176 0.000 1.474 93 C CB 0.928 28.448 27.740 -0.366 0.000 2.125 93 C HN 0.916 nan 8.230 nan 0.000 0.479 94 T N 2.223 116.665 114.554 -0.186 0.000 2.843 94 T HA 0.891 5.240 4.350 -0.000 0.000 0.302 94 T C -0.674 173.969 174.700 -0.096 0.000 1.232 94 T CA -0.316 61.723 62.100 -0.101 0.000 1.009 94 T CB 1.549 70.386 68.868 -0.051 0.000 1.254 94 T HN 1.355 nan 8.240 nan 0.000 0.504 95 S N 0.011 115.686 115.700 -0.040 0.000 2.579 95 S HA 0.868 5.338 4.470 -0.000 0.000 0.272 95 S C -0.376 174.214 174.600 -0.017 0.000 1.141 95 S CA -0.412 57.775 58.200 -0.021 0.000 0.843 95 S CB 1.685 64.879 63.200 -0.009 0.000 1.122 95 S HN 1.351 nan 8.310 nan 0.000 0.468 96 S N -0.019 115.669 115.700 -0.020 0.000 2.971 96 S HA 0.495 4.965 4.470 -0.000 0.000 0.320 96 S C 0.739 175.283 174.600 -0.093 0.000 1.111 96 S CA -0.853 57.316 58.200 -0.051 0.000 0.870 96 S CB 0.805 63.999 63.200 -0.009 0.000 1.331 96 S HN 0.752 nan 8.310 nan 0.000 0.635 97 R N 0.354 120.761 120.500 -0.155 0.000 2.115 97 R HA 0.162 4.502 4.340 -0.000 0.000 0.230 97 R C 0.913 177.052 176.300 -0.269 0.000 1.111 97 R CA 1.224 57.162 56.100 -0.271 0.000 0.976 97 R CB -0.148 29.890 30.300 -0.437 0.000 0.870 97 R HN 0.617 nan 8.270 nan 0.000 0.445 98 E N 0.357 120.478 120.200 -0.133 0.000 2.660 98 E HA 0.088 4.438 4.350 -0.000 0.000 0.216 98 E C -0.668 175.974 176.600 0.071 0.000 0.986 98 E CA -0.231 56.137 56.400 -0.054 0.000 1.037 98 E CB 0.526 30.232 29.700 0.010 0.000 1.041 98 E HN 0.333 nan 8.360 nan 0.000 0.480 99 N N 0.373 119.108 118.700 0.059 0.000 2.823 99 N HA 0.305 5.045 4.740 -0.000 0.000 0.251 99 N C -1.655 173.889 175.510 0.056 0.000 1.392 99 N CA -0.755 52.346 53.050 0.085 0.000 0.864 99 N CB 1.964 40.514 38.487 0.104 0.000 1.481 99 N HN -0.073 nan 8.380 nan 0.000 0.508 100 L N 0.567 121.820 121.223 0.050 0.000 2.528 100 L HA 0.605 4.945 4.340 -0.000 0.000 0.267 100 L C -1.440 175.409 176.870 -0.036 0.000 0.961 100 L CA -0.310 54.527 54.840 -0.005 0.000 0.866 100 L CB 1.352 43.431 42.059 0.035 0.000 1.248 100 L HN 0.804 nan 8.230 nan 0.000 0.404 101 M N 3.443 122.957 119.600 -0.144 0.000 2.501 101 M HA 0.567 5.047 4.480 -0.000 0.000 0.293 101 M C -1.801 174.308 176.300 -0.319 0.000 1.192 101 M CA -0.711 54.462 55.300 -0.211 0.000 0.886 101 M CB 2.360 34.857 32.600 -0.171 0.000 1.710 101 M HN 0.387 nan 8.290 nan 0.000 0.457 102 Y N 1.436 121.568 120.300 -0.280 0.000 2.345 102 Y HA 0.521 5.071 4.550 -0.000 0.000 0.331 102 Y C -0.413 175.401 175.900 -0.143 0.000 0.959 102 Y CA -0.490 57.557 58.100 -0.089 0.000 1.204 102 Y CB 1.444 39.863 38.460 -0.069 0.000 1.135 102 Y HN 0.640 nan 8.280 nan 0.000 0.477 103 Q N 1.998 121.845 119.800 0.078 0.000 2.458 103 Q HA 0.998 5.338 4.340 -0.000 0.000 0.282 103 Q C -1.321 174.738 176.000 0.099 0.000 1.106 103 Q CA -1.680 54.147 55.803 0.040 0.000 0.814 103 Q CB 3.223 31.977 28.738 0.028 0.000 1.425 103 Q HN 0.646 nan 8.270 nan 0.000 0.437 104 A N 0.704 123.568 122.820 0.073 0.000 2.590 104 A HA 0.613 4.932 4.320 -0.000 0.000 0.294 104 A C -1.389 176.219 177.584 0.040 0.000 1.046 104 A CA -0.609 51.463 52.037 0.059 0.000 0.684 104 A CB 1.498 20.548 19.000 0.083 0.000 1.279 104 A HN 0.738 nan 8.150 nan 0.000 0.415 105 S N 0.228 115.919 115.700 -0.016 0.000 2.473 105 S HA 0.869 5.338 4.470 -0.000 0.000 0.307 105 S C -0.145 174.363 174.600 -0.153 0.000 1.094 105 S CA 0.024 58.206 58.200 -0.029 0.000 1.070 105 S CB 0.994 64.142 63.200 -0.085 0.000 1.019 105 S HN 2.243 nan 8.310 nan 0.000 0.480 106 V N -0.566 119.296 119.914 -0.087 0.000 3.182 106 V HA 0.755 4.875 4.120 -0.000 0.000 0.308 106 V C -0.948 175.072 176.094 -0.124 0.000 1.240 106 V CA -1.467 60.732 62.300 -0.168 0.000 1.063 106 V CB 0.646 32.467 31.823 -0.004 0.000 1.076 106 V HN 0.750 nan 8.190 nan 0.000 0.446 107 F N 2.246 122.258 119.950 0.103 0.000 2.484 107 F HA 0.366 4.893 4.527 -0.000 0.000 0.360 107 F C 2.017 177.906 175.800 0.148 0.000 1.101 107 F CA 0.034 58.122 58.000 0.148 0.000 1.251 107 F CB 0.068 39.126 39.000 0.096 0.000 1.132 107 F HN 0.596 nan 8.300 nan 0.000 0.570 108 N N 1.900 120.808 118.700 0.348 0.000 2.089 108 N HA -0.280 4.460 4.740 -0.000 0.000 0.198 108 N C 1.874 177.492 175.510 0.181 0.000 1.017 108 N CA 1.926 55.112 53.050 0.227 0.000 0.880 108 N CB -0.342 38.255 38.487 0.185 0.000 1.042 108 N HN 0.692 nan 8.380 nan 0.000 0.446 109 Q N 0.663 120.569 119.800 0.177 0.000 2.437 109 Q HA -0.079 4.261 4.340 -0.000 0.000 0.210 109 Q C -0.106 175.972 176.000 0.129 0.000 0.972 109 Q CA 1.183 57.063 55.803 0.128 0.000 0.903 109 Q CB -0.006 28.792 28.738 0.100 0.000 0.967 109 Q HN 0.305 nan 8.270 nan 0.000 0.486 110 D N 0.707 121.202 120.400 0.158 0.000 2.349 110 D HA 0.085 4.724 4.640 -0.000 0.000 0.214 110 D C 1.723 178.095 176.300 0.120 0.000 1.063 110 D CA -0.011 54.067 54.000 0.130 0.000 0.847 110 D CB 0.511 41.395 40.800 0.140 0.000 0.933 110 D HN 0.032 nan 8.370 nan 0.000 0.513 111 V N 1.315 121.317 119.914 0.146 0.000 2.278 111 V HA -0.258 3.862 4.120 -0.000 0.000 0.251 111 V C 2.633 178.828 176.094 0.168 0.000 1.062 111 V CA 2.347 64.752 62.300 0.176 0.000 1.038 111 V CB -0.963 30.984 31.823 0.206 0.000 0.646 111 V HN 0.298 nan 8.190 nan 0.000 0.447 112 G N -0.464 108.428 108.800 0.153 0.000 2.446 112 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.217 112 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.217 112 G C 1.598 176.544 174.900 0.076 0.000 1.168 112 G CA 1.251 46.458 45.100 0.178 0.000 0.771 112 G HN 0.460 nan 8.290 nan 0.000 0.551 113 K N -0.034 120.394 120.400 0.045 0.000 2.057 113 K HA 0.017 4.337 4.320 -0.000 0.000 0.207 113 K C 2.375 178.931 176.600 -0.073 0.000 1.049 113 K CA 1.407 57.679 56.287 -0.026 0.000 0.931 113 K CB -0.465 32.038 32.500 0.006 0.000 0.714 113 K HN 0.264 nan 8.250 nan 0.000 0.440 114 M N 0.114 119.701 119.600 -0.022 0.000 2.086 114 M HA -0.062 4.418 4.480 -0.000 0.000 0.261 114 M C 1.769 178.042 176.300 -0.044 0.000 1.067 114 M CA 1.372 56.653 55.300 -0.032 0.000 1.116 114 M CB -0.588 32.017 32.600 0.009 0.000 1.348 114 M HN 0.247 nan 8.290 nan 0.000 0.407 115 L N 0.291 121.503 121.223 -0.017 0.000 2.083 115 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 115 L C 2.377 179.097 176.870 -0.250 0.000 1.083 115 L CA 2.254 57.078 54.840 -0.028 0.000 0.752 115 L CB -1.153 41.008 42.059 0.169 0.000 0.899 115 L HN 0.675 nan 8.230 nan 0.000 0.433 116 Q N -0.736 118.735 119.800 -0.548 0.000 2.050 116 Q HA -0.212 4.128 4.340 -0.000 0.000 0.202 116 Q C 2.234 178.007 176.000 -0.378 0.000 0.980 116 Q CA 2.116 57.361 55.803 -0.929 0.000 0.840 116 Q CB -0.252 27.860 28.738 -1.043 0.000 0.898 116 Q HN 0.625 nan 8.270 nan 0.000 0.424 117 L N -0.010 121.086 121.223 -0.211 0.000 2.046 117 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 117 L C 2.695 179.530 176.870 -0.057 0.000 1.077 117 L CA 1.247 56.040 54.840 -0.079 0.000 0.747 117 L CB -0.384 41.663 42.059 -0.019 0.000 0.896 117 L HN 0.397 nan 8.230 nan 0.000 0.432 118 M N -0.962 118.608 119.600 -0.049 0.000 2.213 118 M HA -0.181 4.299 4.480 -0.000 0.000 0.263 118 M C 2.430 178.534 176.300 -0.326 0.000 1.062 118 M CA 1.453 56.656 55.300 -0.162 0.000 1.105 118 M CB -0.355 32.188 32.600 -0.095 0.000 1.385 118 M HN 0.176 nan 8.290 nan 0.000 0.417 119 S N 0.075 115.625 115.700 -0.249 0.000 2.356 119 S HA -0.118 4.351 4.470 -0.000 0.000 0.223 119 S C 1.784 176.230 174.600 -0.256 0.000 1.032 119 S CA 1.024 59.059 58.200 -0.275 0.000 1.005 119 S CB -0.285 62.824 63.200 -0.153 0.000 0.867 119 S HN 0.418 nan 8.310 nan 0.000 0.449 120 E N 0.732 120.875 120.200 -0.095 0.000 2.070 120 E HA -0.157 4.193 4.350 -0.000 0.000 0.197 120 E C 2.316 178.870 176.600 -0.077 0.000 1.004 120 E CA 1.327 57.770 56.400 0.073 0.000 0.805 120 E CB -0.765 28.983 29.700 0.080 0.000 0.744 120 E HN 0.445 nan 8.360 nan 0.000 0.451 121 T N 0.157 114.574 114.554 -0.228 0.000 2.904 121 T HA -0.044 4.306 4.350 -0.000 0.000 0.267 121 T C 1.896 176.381 174.700 -0.359 0.000 1.059 121 T CA 0.780 62.696 62.100 -0.308 0.000 1.137 121 T CB 0.068 68.614 68.868 -0.536 0.000 0.879 121 T HN -0.069 nan 8.240 nan 0.000 0.467 122 V N 0.661 120.284 119.914 -0.485 0.000 2.649 122 V HA 0.107 4.227 4.120 -0.000 0.000 0.248 122 V C 2.569 178.421 176.094 -0.404 0.000 1.054 122 V CA 1.385 63.444 62.300 -0.402 0.000 1.073 122 V CB -0.349 31.138 31.823 -0.560 0.000 0.699 122 V HN 0.342 nan 8.190 nan 0.000 0.463 123 R N -1.499 118.605 120.500 -0.661 0.000 2.195 123 R HA 0.202 4.542 4.340 -0.000 0.000 0.197 123 R C 0.535 176.230 176.300 -1.008 0.000 0.990 123 R CA 0.524 56.010 56.100 -1.024 0.000 1.048 123 R CB 0.307 29.635 30.300 -1.620 0.000 0.997 123 R HN 0.463 nan 8.270 nan 0.000 0.502 124 F N 1.525 121.375 119.950 -0.166 0.000 2.818 124 F HA 0.319 4.846 4.527 -0.000 0.000 0.369 124 F C -2.218 173.502 175.800 -0.133 0.000 1.327 124 F CA -2.730 55.195 58.000 -0.126 0.000 1.211 124 F CB 0.580 39.522 39.000 -0.096 0.000 1.036 124 F HN -0.220 nan 8.300 nan 0.000 0.510 125 P HA 0.045 nan 4.420 nan 0.000 0.268 125 P C 0.391 177.671 177.300 -0.033 0.000 1.204 125 P CA 0.083 63.151 63.100 -0.052 0.000 0.768 125 P CB 1.552 33.188 31.700 -0.106 0.000 0.842 126 K N 2.203 122.585 120.400 -0.030 0.000 2.186 126 K HA 0.101 4.421 4.320 -0.000 0.000 0.202 126 K C 0.774 177.355 176.600 -0.031 0.000 1.052 126 K CA 0.148 56.416 56.287 -0.030 0.000 0.965 126 K CB -0.337 32.144 32.500 -0.031 0.000 0.746 126 K HN 0.474 nan 8.250 nan 0.000 0.457 127 I N 3.248 123.797 120.570 -0.034 0.000 6.399 127 I HA -0.266 3.904 4.170 -0.000 0.000 0.126 127 I C 0.369 176.472 176.117 -0.024 0.000 1.513 127 I CA 0.322 61.602 61.300 -0.033 0.000 2.479 127 I CB -1.891 36.083 38.000 -0.044 0.000 2.875 127 I HN 0.312 nan 8.210 nan 0.000 0.285 128 T N -0.841 113.702 114.554 -0.019 0.000 2.868 128 T HA 0.259 4.609 4.350 -0.000 0.000 0.292 128 T C 1.246 175.939 174.700 -0.012 0.000 1.028 128 T CA -0.293 61.798 62.100 -0.015 0.000 1.059 128 T CB 1.762 70.621 68.868 -0.014 0.000 0.991 128 T HN 0.480 nan 8.240 nan 0.000 0.531 129 E N 0.314 120.508 120.200 -0.009 0.000 2.070 129 E HA -0.276 4.074 4.350 -0.000 0.000 0.197 129 E C 2.126 178.720 176.600 -0.009 0.000 1.004 129 E CA 1.580 57.976 56.400 -0.007 0.000 0.805 129 E CB -0.107 29.590 29.700 -0.005 0.000 0.744 129 E HN 0.799 nan 8.360 nan 0.000 0.451 130 Q N 0.586 120.381 119.800 -0.010 0.000 2.079 130 Q HA -0.196 4.144 4.340 -0.000 0.000 0.200 130 Q C 1.889 177.881 176.000 -0.013 0.000 0.974 130 Q CA 1.264 57.061 55.803 -0.011 0.000 0.840 130 Q CB 0.124 28.857 28.738 -0.008 0.000 0.898 130 Q HN 0.330 nan 8.270 nan 0.000 0.430 131 E N 0.204 120.397 120.200 -0.013 0.000 2.110 131 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 131 E C 1.997 178.584 176.600 -0.021 0.000 0.988 131 E CA 0.902 57.293 56.400 -0.014 0.000 0.804 131 E CB -0.080 29.612 29.700 -0.012 0.000 0.745 131 E HN 0.241 nan 8.360 nan 0.000 0.458 132 L N 1.169 122.380 121.223 -0.021 0.000 2.072 132 L HA -0.145 4.195 4.340 -0.000 0.000 0.205 132 L C 2.318 179.173 176.870 -0.025 0.000 1.079 132 L CA 1.667 56.493 54.840 -0.023 0.000 0.752 132 L CB -0.417 41.633 42.059 -0.014 0.000 0.906 132 L HN -0.036 nan 8.230 nan 0.000 0.436 133 Q N 0.300 120.087 119.800 -0.022 0.000 2.061 133 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 133 Q C 2.088 178.062 176.000 -0.043 0.000 0.984 133 Q CA 2.142 57.928 55.803 -0.028 0.000 0.846 133 Q CB -0.216 28.509 28.738 -0.022 0.000 0.902 133 Q HN 0.640 nan 8.270 nan 0.000 0.421 134 E N -0.502 119.674 120.200 -0.039 0.000 2.033 134 E HA -0.246 4.104 4.350 -0.000 0.000 0.199 134 E C 2.006 178.569 176.600 -0.061 0.000 1.011 134 E CA 1.360 57.732 56.400 -0.047 0.000 0.815 134 E CB -0.096 29.586 29.700 -0.030 0.000 0.755 134 E HN 0.340 nan 8.360 nan 0.000 0.451 135 Q N 0.782 120.551 119.800 -0.053 0.000 2.135 135 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 135 Q C 1.939 177.900 176.000 -0.064 0.000 0.981 135 Q CA 1.329 57.094 55.803 -0.063 0.000 0.856 135 Q CB -0.207 28.488 28.738 -0.072 0.000 0.902 135 Q HN 0.239 nan 8.270 nan 0.000 0.425 136 K N 0.177 120.544 120.400 -0.056 0.000 2.025 136 K HA -0.110 4.210 4.320 -0.000 0.000 0.207 136 K C 2.089 178.641 176.600 -0.080 0.000 1.049 136 K CA 0.786 57.045 56.287 -0.045 0.000 0.933 136 K CB -0.257 32.224 32.500 -0.031 0.000 0.714 136 K HN 0.059 nan 8.250 nan 0.000 0.438 137 L N 0.859 122.009 121.223 -0.123 0.000 2.012 137 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 137 L C 2.293 178.947 176.870 -0.360 0.000 1.073 137 L CA 1.900 56.599 54.840 -0.236 0.000 0.748 137 L CB -0.887 41.039 42.059 -0.222 0.000 0.891 137 L HN 0.074 nan 8.230 nan 0.000 0.431 138 S N -0.720 114.845 115.700 -0.226 0.000 2.382 138 S HA -0.155 4.314 4.470 -0.000 0.000 0.228 138 S C 2.159 176.728 174.600 -0.051 0.000 1.027 138 S CA 1.175 59.283 58.200 -0.152 0.000 0.991 138 S CB -0.554 62.608 63.200 -0.062 0.000 0.823 138 S HN 0.694 nan 8.310 nan 0.000 0.469 139 A N 1.046 123.852 122.820 -0.024 0.000 1.972 139 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 139 A C 1.995 179.625 177.584 0.077 0.000 1.169 139 A CA 1.634 53.712 52.037 0.069 0.000 0.635 139 A CB -0.641 18.408 19.000 0.082 0.000 0.810 139 A HN 0.725 nan 8.150 nan 0.000 0.446 140 E N -1.058 119.151 120.200 0.015 0.000 2.051 140 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 140 E C 1.887 178.632 176.600 0.240 0.000 0.991 140 E CA 1.383 57.832 56.400 0.082 0.000 0.799 140 E CB -0.354 29.359 29.700 0.021 0.000 0.748 140 E HN 0.726 nan 8.360 nan 0.000 0.449 141 Y N 1.277 121.605 120.300 0.046 0.000 2.128 141 Y HA -0.202 4.348 4.550 -0.000 0.000 0.284 141 Y C 2.297 178.226 175.900 0.049 0.000 1.154 141 Y CA 1.063 59.189 58.100 0.042 0.000 1.149 141 Y CB -0.895 37.584 38.460 0.031 0.000 0.976 141 Y HN 0.171 nan 8.280 nan 0.000 0.505 142 E N -0.127 120.207 120.200 0.222 0.000 2.085 142 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 142 E C 2.033 178.699 176.600 0.109 0.000 0.994 142 E CA 1.265 57.747 56.400 0.137 0.000 0.801 142 E CB -0.190 29.590 29.700 0.133 0.000 0.743 142 E HN 0.249 nan 8.360 nan 0.000 0.453 143 I N 1.839 122.491 120.570 0.136 0.000 2.226 143 I HA -0.244 3.925 4.170 -0.000 0.000 0.245 143 I C 1.806 178.079 176.117 0.261 0.000 1.100 143 I CA 1.293 62.694 61.300 0.169 0.000 1.374 143 I CB -0.406 37.711 38.000 0.195 0.000 1.057 143 I HN 0.085 nan 8.210 nan 0.000 0.413 144 D N 0.351 120.879 120.400 0.214 0.000 2.123 144 D HA -0.186 4.454 4.640 -0.000 0.000 0.196 144 D C 2.171 178.567 176.300 0.160 0.000 0.992 144 D CA 1.214 55.325 54.000 0.186 0.000 0.833 144 D CB -0.159 40.717 40.800 0.127 0.000 0.954 144 D HN 0.445 nan 8.370 nan 0.000 0.455 145 E N 0.114 120.379 120.200 0.109 0.000 2.047 145 E HA -0.098 4.252 4.350 -0.000 0.000 0.191 145 E C 2.312 178.942 176.600 0.050 0.000 0.987 145 E CA 0.467 56.904 56.400 0.062 0.000 0.799 145 E CB 0.083 29.802 29.700 0.031 0.000 0.752 145 E HN 0.038 nan 8.360 nan 0.000 0.449 146 V N 0.295 120.222 119.914 0.022 0.000 2.380 146 V HA -0.242 3.878 4.120 -0.000 0.000 0.251 146 V C 1.485 177.514 176.094 -0.107 0.000 1.063 146 V CA 1.664 63.912 62.300 -0.088 0.000 1.055 146 V CB -0.514 31.195 31.823 -0.191 0.000 0.657 146 V HN 0.436 nan 8.190 nan 0.000 0.455 147 W N -0.921 120.369 121.300 -0.017 0.000 2.848 147 W HA 0.056 4.716 4.660 -0.000 0.000 0.241 147 W C 2.061 178.589 176.519 0.016 0.000 1.289 147 W CA 0.518 57.858 57.345 -0.009 0.000 1.396 147 W CB -0.292 29.166 29.460 -0.004 0.000 1.138 147 W HN 0.255 nan 8.180 nan 0.000 0.677 148 M N -0.873 118.834 119.600 0.179 0.000 2.337 148 M HA 0.095 4.575 4.480 -0.000 0.000 0.256 148 M C 0.210 176.569 176.300 0.098 0.000 1.075 148 M CA 0.570 55.971 55.300 0.167 0.000 1.024 148 M CB 0.352 33.031 32.600 0.132 0.000 1.429 148 M HN -0.359 nan 8.290 nan 0.000 0.497 149 K N 1.099 121.509 120.400 0.017 0.000 2.292 149 K HA 0.252 4.572 4.320 -0.000 0.000 0.270 149 K C -2.148 174.407 176.600 -0.074 0.000 1.062 149 K CA -1.595 54.676 56.287 -0.028 0.000 0.916 149 K CB 1.111 33.574 32.500 -0.062 0.000 1.166 149 K HN -0.205 nan 8.250 nan 0.000 0.458 150 P HA -0.221 nan 4.420 nan 0.000 0.217 150 P C 0.298 177.467 177.300 -0.218 0.000 1.148 150 P CA 1.265 64.241 63.100 -0.208 0.000 0.828 150 P CB 0.283 31.723 31.700 -0.433 0.000 0.783 151 E N -0.787 119.322 120.200 -0.152 0.000 2.219 151 E HA -0.166 4.184 4.350 -0.000 0.000 0.198 151 E C 1.795 178.313 176.600 -0.136 0.000 0.998 151 E CA 1.038 57.367 56.400 -0.118 0.000 0.818 151 E CB -0.847 28.809 29.700 -0.073 0.000 0.741 151 E HN 0.301 nan 8.360 nan 0.000 0.477 152 L N -0.412 120.711 121.223 -0.166 0.000 2.262 152 L HA 0.012 4.352 4.340 -0.000 0.000 0.197 152 L C 2.266 178.965 176.870 -0.284 0.000 1.073 152 L CA 0.208 54.919 54.840 -0.215 0.000 0.800 152 L CB -0.386 41.537 42.059 -0.227 0.000 0.987 152 L HN 0.011 nan 8.230 nan 0.000 0.470 153 V N 0.597 120.324 119.914 -0.313 0.000 2.332 153 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 153 V C 2.571 178.516 176.094 -0.248 0.000 1.055 153 V CA 1.407 63.484 62.300 -0.371 0.000 1.038 153 V CB -0.461 31.198 31.823 -0.274 0.000 0.651 153 V HN 0.301 nan 8.190 nan 0.000 0.450 154 L N -0.298 120.808 121.223 -0.195 0.000 2.017 154 L HA -0.078 4.262 4.340 -0.000 0.000 0.208 154 L C 0.288 177.068 176.870 -0.150 0.000 1.073 154 L CA 2.516 57.266 54.840 -0.150 0.000 0.745 154 L CB -2.600 39.371 42.059 -0.146 0.000 0.894 154 L HN 0.357 nan 8.230 nan 0.000 0.432 155 P HA -0.150 nan 4.420 nan 0.000 0.218 155 P C 1.435 178.668 177.300 -0.112 0.000 1.149 155 P CA 0.936 63.947 63.100 -0.148 0.000 0.817 155 P CB 0.194 31.799 31.700 -0.158 0.000 0.785 156 E N 0.347 120.425 120.200 -0.204 0.000 2.038 156 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 156 E C 1.898 178.437 176.600 -0.103 0.000 1.000 156 E CA 1.415 57.684 56.400 -0.218 0.000 0.803 156 E CB -1.315 28.183 29.700 -0.338 0.000 0.750 156 E HN 0.089 nan 8.360 nan 0.000 0.448 157 L N -0.009 121.156 121.223 -0.097 0.000 2.042 157 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 157 L C 2.610 179.463 176.870 -0.029 0.000 1.076 157 L CA 1.109 55.925 54.840 -0.039 0.000 0.749 157 L CB -0.607 41.431 42.059 -0.035 0.000 0.893 157 L HN 0.294 nan 8.230 nan 0.000 0.432 158 L N -0.578 120.621 121.223 -0.040 0.000 1.989 158 L HA -0.260 4.080 4.340 -0.000 0.000 0.211 158 L C 2.450 179.303 176.870 -0.028 0.000 1.071 158 L CA 1.970 56.779 54.840 -0.053 0.000 0.749 158 L CB -0.568 41.424 42.059 -0.111 0.000 0.890 158 L HN 0.184 nan 8.230 nan 0.000 0.431 159 H N -1.046 117.983 119.070 -0.069 0.000 2.293 159 H HA -0.109 4.447 4.556 -0.000 0.000 0.300 159 H C 2.172 177.534 175.328 0.057 0.000 1.082 159 H CA 2.053 58.122 56.048 0.034 0.000 1.308 159 H CB -0.801 28.928 29.762 -0.054 0.000 1.375 159 H HN 0.333 nan 8.280 nan 0.000 0.495 160 T N 0.241 114.862 114.554 0.113 0.000 2.699 160 T HA -0.226 4.123 4.350 -0.000 0.000 0.268 160 T C 2.272 176.979 174.700 0.011 0.000 1.036 160 T CA 1.383 63.515 62.100 0.054 0.000 1.147 160 T CB -0.515 68.368 68.868 0.024 0.000 0.862 160 T HN 0.504 nan 8.240 nan 0.000 0.446 161 A N 1.251 124.053 122.820 -0.031 0.000 1.897 161 A HA 0.318 4.638 4.320 -0.000 0.000 0.215 161 A C 2.671 180.138 177.584 -0.196 0.000 1.181 161 A CA 1.547 53.528 52.037 -0.094 0.000 0.620 161 A CB -1.088 17.855 19.000 -0.095 0.000 0.821 161 A HN 0.491 nan 8.150 nan 0.000 0.443 162 A N -1.596 121.079 122.820 -0.242 0.000 1.940 162 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 162 A C 1.475 178.549 177.584 -0.851 0.000 1.176 162 A CA 1.514 53.206 52.037 -0.576 0.000 0.631 162 A CB -0.591 18.125 19.000 -0.473 0.000 0.814 162 A HN 0.636 nan 8.150 nan 0.000 0.446 163 Y N -0.954 119.235 120.300 -0.187 0.000 2.716 163 Y HA 0.301 4.851 4.550 -0.000 0.000 0.260 163 Y C 0.993 176.829 175.900 -0.108 0.000 1.141 163 Y CA 0.032 58.047 58.100 -0.140 0.000 1.168 163 Y CB -0.004 38.414 38.460 -0.069 0.000 1.189 163 Y HN 0.194 nan 8.280 nan 0.000 0.549 164 S N 0.480 116.159 115.700 -0.034 0.000 3.521 164 S HA -0.247 4.223 4.470 -0.000 0.000 0.362 164 S C 1.630 176.236 174.600 0.011 0.000 1.044 164 S CA 1.099 59.286 58.200 -0.023 0.000 1.091 164 S CB -1.605 61.576 63.200 -0.031 0.000 0.908 164 S HN 1.210 nan 8.310 nan 0.000 0.473 165 G N -0.613 108.204 108.800 0.029 0.000 2.155 165 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.257 165 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.257 165 G C -0.252 174.654 174.900 0.010 0.000 0.983 165 G CA 0.591 45.702 45.100 0.019 0.000 0.676 165 G HN 0.613 nan 8.290 nan 0.000 0.528 166 E N 0.144 120.360 120.200 0.026 0.000 2.212 166 E HA 0.551 4.901 4.350 -0.000 0.000 0.270 166 E C 1.550 178.105 176.600 -0.076 0.000 0.956 166 E CA 0.315 56.712 56.400 -0.005 0.000 0.825 166 E CB 1.376 31.090 29.700 0.023 0.000 1.167 166 E HN 0.803 nan 8.360 nan 0.000 0.400 167 T N -0.478 113.999 114.554 -0.129 0.000 12.930 167 T HA -0.387 3.963 4.350 -0.000 0.000 0.400 167 T C 1.629 176.098 174.700 -0.385 0.000 1.463 167 T CA 1.824 63.768 62.100 -0.260 0.000 2.252 167 T CB -1.200 67.508 68.868 -0.265 0.000 2.673 167 T HN 0.487 nan 8.240 nan 0.000 0.523 168 L N 2.080 122.947 121.223 -0.594 0.000 2.353 168 L HA 0.133 4.473 4.340 -0.000 0.000 0.220 168 L C 2.958 179.613 176.870 -0.358 0.000 1.133 168 L CA 1.457 55.879 54.840 -0.696 0.000 0.798 168 L CB -0.846 40.516 42.059 -1.161 0.000 0.922 168 L HN 0.853 nan 8.230 nan 0.000 0.445 169 G N -1.646 107.032 108.800 -0.203 0.000 2.986 169 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.213 169 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.213 169 G C 0.699 175.580 174.900 -0.032 0.000 1.156 169 G CA -0.085 45.038 45.100 0.038 0.000 0.763 169 G HN 0.201 nan 8.290 nan 0.000 0.547 170 S N 1.751 117.392 115.700 -0.099 0.000 2.525 170 S HA 0.300 4.770 4.470 -0.000 0.000 0.285 170 S C -2.275 172.267 174.600 -0.097 0.000 1.283 170 S CA -1.117 57.033 58.200 -0.084 0.000 1.072 170 S CB 0.596 63.735 63.200 -0.102 0.000 0.867 170 S HN -0.027 nan 8.310 nan 0.000 0.492 171 P HA -0.091 nan 4.420 nan 0.000 0.257 171 P C 0.339 177.571 177.300 -0.114 0.000 1.153 171 P CA 0.188 63.247 63.100 -0.068 0.000 0.762 171 P CB 0.262 31.951 31.700 -0.019 0.000 0.743 172 L N 5.238 126.360 121.223 -0.168 0.000 2.375 172 L HA 0.218 4.558 4.340 -0.000 0.000 0.215 172 L C 0.647 177.391 176.870 -0.210 0.000 1.108 172 L CA 1.079 55.795 54.840 -0.206 0.000 0.830 172 L CB -0.035 41.859 42.059 -0.274 0.000 0.959 172 L HN 0.242 nan 8.230 nan 0.000 0.457 173 I N 0.414 120.866 120.570 -0.196 0.000 2.306 173 I HA 0.113 4.283 4.170 -0.000 0.000 0.288 173 I C -0.021 176.062 176.117 -0.057 0.000 1.036 173 I CA -0.638 60.547 61.300 -0.192 0.000 1.221 173 I CB 0.823 38.648 38.000 -0.291 0.000 1.385 173 I HN 0.037 nan 8.210 nan 0.000 0.472 174 C N 8.978 128.244 119.300 -0.058 0.000 2.611 174 C HA 0.146 4.606 4.460 -0.000 0.000 0.416 174 C C -1.876 173.162 174.990 0.080 0.000 1.366 174 C CA -0.919 58.104 59.018 0.009 0.000 1.761 174 C CB -0.303 27.442 27.740 0.008 0.000 2.619 174 C HN 0.488 nan 8.230 nan 0.000 0.606 175 P HA 0.085 nan 4.420 nan 0.000 0.262 175 P C 0.789 178.124 177.300 0.059 0.000 1.199 175 P CA 0.352 63.500 63.100 0.080 0.000 0.763 175 P CB 0.254 31.977 31.700 0.038 0.000 0.790 176 R N 3.784 124.321 120.500 0.063 0.000 2.134 176 R HA -0.191 4.149 4.340 -0.000 0.000 0.248 176 R C 1.932 178.246 176.300 0.024 0.000 1.143 176 R CA 2.312 58.440 56.100 0.046 0.000 0.957 176 R CB -1.014 29.300 30.300 0.022 0.000 0.867 176 R HN 0.649 nan 8.270 nan 0.000 0.441 177 G N -0.251 108.552 108.800 0.005 0.000 2.776 177 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.209 177 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.209 177 G C 1.178 176.082 174.900 0.006 0.000 1.145 177 G CA -0.029 45.072 45.100 0.002 0.000 0.791 177 G HN 0.262 nan 8.290 nan 0.000 0.530 178 L N -0.382 120.846 121.223 0.009 0.000 2.590 178 L HA 0.346 4.686 4.340 -0.000 0.000 0.227 178 L C 2.330 179.206 176.870 0.009 0.000 1.099 178 L CA -0.129 54.712 54.840 0.003 0.000 0.872 178 L CB 0.096 42.151 42.059 -0.007 0.000 1.088 178 L HN 0.146 nan 8.230 nan 0.000 0.479 179 I N 1.035 121.617 120.570 0.019 0.000 2.226 179 I HA -0.175 3.995 4.170 -0.000 0.000 0.245 179 I C -0.397 175.733 176.117 0.022 0.000 1.100 179 I CA 1.370 62.684 61.300 0.023 0.000 1.374 179 I CB -0.894 37.124 38.000 0.029 0.000 1.057 179 I HN 0.199 nan 8.210 nan 0.000 0.413 180 P HA -0.135 nan 4.420 nan 0.000 0.220 180 P C 1.482 178.808 177.300 0.042 0.000 1.148 180 P CA 1.448 64.562 63.100 0.023 0.000 0.803 180 P CB -0.089 31.622 31.700 0.018 0.000 0.782 181 S N -1.619 114.111 115.700 0.050 0.000 2.593 181 S HA 0.076 4.546 4.470 -0.000 0.000 0.217 181 S C 0.799 175.487 174.600 0.147 0.000 0.966 181 S CA -0.178 58.075 58.200 0.088 0.000 0.914 181 S CB -1.082 62.161 63.200 0.072 0.000 0.776 181 S HN 0.020 nan 8.310 nan 0.000 0.523 182 I N 4.014 124.647 120.570 0.105 0.000 2.494 182 I HA 0.112 4.282 4.170 -0.000 0.000 0.289 182 I C 0.614 176.835 176.117 0.173 0.000 1.106 182 I CA -0.238 61.147 61.300 0.141 0.000 1.369 182 I CB 0.266 38.303 38.000 0.062 0.000 1.410 182 I HN 0.361 nan 8.210 nan 0.000 0.523 183 S N 5.129 121.003 115.700 0.289 0.000 2.718 183 S HA 0.328 4.798 4.470 -0.000 0.000 0.300 183 S C 0.838 175.517 174.600 0.132 0.000 1.117 183 S CA -0.937 57.371 58.200 0.181 0.000 1.002 183 S CB 2.127 65.427 63.200 0.167 0.000 1.092 183 S HN 0.677 nan 8.310 nan 0.000 0.542 184 K N -0.205 120.240 120.400 0.075 0.000 2.147 184 K HA -0.189 4.131 4.320 -0.000 0.000 0.205 184 K C 1.845 178.464 176.600 0.031 0.000 1.049 184 K CA 1.416 57.727 56.287 0.040 0.000 0.936 184 K CB -0.515 31.999 32.500 0.023 0.000 0.722 184 K HN 0.744 nan 8.250 nan 0.000 0.446 185 Y N 0.018 120.269 120.300 -0.083 0.000 2.128 185 Y HA -0.307 4.243 4.550 -0.000 0.000 0.284 185 Y C 1.515 177.330 175.900 -0.141 0.000 1.154 185 Y CA 1.834 59.836 58.100 -0.162 0.000 1.149 185 Y CB -0.258 38.023 38.460 -0.299 0.000 0.976 185 Y HN 0.081 nan 8.280 nan 0.000 0.505 186 Y N 0.070 120.342 120.300 -0.046 0.000 2.200 186 Y HA -0.200 4.350 4.550 -0.000 0.000 0.290 186 Y C 2.380 178.235 175.900 -0.075 0.000 1.137 186 Y CA 1.470 59.513 58.100 -0.094 0.000 1.163 186 Y CB -0.757 37.745 38.460 0.069 0.000 0.988 186 Y HN 0.145 nan 8.280 nan 0.000 0.518 187 L N -0.848 120.433 121.223 0.096 0.000 2.017 187 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 187 L C 2.255 179.123 176.870 -0.003 0.000 1.073 187 L CA 1.288 56.144 54.840 0.026 0.000 0.745 187 L CB -0.773 41.273 42.059 -0.021 0.000 0.894 187 L HN 0.240 nan 8.230 nan 0.000 0.432 188 L N -0.445 120.732 121.223 -0.077 0.000 2.093 188 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 188 L C 2.214 179.013 176.870 -0.119 0.000 1.085 188 L CA 1.276 56.052 54.840 -0.106 0.000 0.755 188 L CB -0.543 41.442 42.059 -0.122 0.000 0.904 188 L HN 0.314 nan 8.230 nan 0.000 0.435 189 D N -0.592 119.683 120.400 -0.208 0.000 2.117 189 D HA -0.283 4.357 4.640 -0.000 0.000 0.197 189 D C 2.077 178.374 176.300 -0.005 0.000 0.987 189 D CA 1.243 55.133 54.000 -0.182 0.000 0.829 189 D CB -0.055 40.600 40.800 -0.242 0.000 0.961 189 D HN 0.292 nan 8.370 nan 0.000 0.460 190 Y N 1.136 121.430 120.300 -0.010 0.000 2.200 190 Y HA -0.040 4.510 4.550 -0.000 0.000 0.290 190 Y C 2.151 178.135 175.900 0.139 0.000 1.137 190 Y CA 1.595 59.774 58.100 0.132 0.000 1.163 190 Y CB -0.078 38.505 38.460 0.205 0.000 0.988 190 Y HN -0.109 nan 8.280 nan 0.000 0.518 191 R N -0.205 120.451 120.500 0.260 0.000 2.096 191 R HA -0.150 4.189 4.340 -0.000 0.000 0.235 191 R C 1.659 178.003 176.300 0.074 0.000 1.127 191 R CA 1.346 57.497 56.100 0.084 0.000 0.968 191 R CB -0.428 29.738 30.300 -0.224 0.000 0.861 191 R HN 0.320 nan 8.270 nan 0.000 0.440 192 N N 0.753 119.440 118.700 -0.022 0.000 2.453 192 N HA -0.087 4.653 4.740 -0.000 0.000 0.183 192 N C 1.130 176.533 175.510 -0.179 0.000 1.041 192 N CA 1.079 54.087 53.050 -0.070 0.000 0.900 192 N CB 0.130 38.568 38.487 -0.082 0.000 0.961 192 N HN 0.296 nan 8.380 nan 0.000 0.443 193 K N -1.071 119.123 120.400 -0.343 0.000 2.202 193 K HA 0.144 4.464 4.320 -0.000 0.000 0.201 193 K C 0.615 176.720 176.600 -0.825 0.000 1.051 193 K CA 0.703 56.562 56.287 -0.712 0.000 0.977 193 K CB 0.178 31.974 32.500 -1.173 0.000 0.792 193 K HN 0.103 nan 8.250 nan 0.000 0.469 194 F N -1.296 118.573 119.950 -0.135 0.000 2.727 194 F HA 0.178 4.705 4.527 -0.000 0.000 0.302 194 F C 0.257 176.084 175.800 0.045 0.000 1.107 194 F CA -0.481 57.445 58.000 -0.122 0.000 1.277 194 F CB 0.211 39.053 39.000 -0.263 0.000 1.079 194 F HN -0.151 nan 8.300 nan 0.000 0.594 195 Y N 2.387 122.772 120.300 0.141 0.000 2.636 195 Y HA 0.335 4.885 4.550 -0.000 0.000 0.334 195 Y C 0.711 176.703 175.900 0.152 0.000 1.286 195 Y CA -1.136 57.106 58.100 0.237 0.000 1.688 195 Y CB -0.689 37.938 38.460 0.279 0.000 1.662 195 Y HN -0.080 nan 8.280 nan 0.000 0.465 196 T N -1.541 112.963 114.554 -0.083 0.000 2.893 196 T HA 0.333 4.683 4.350 -0.000 0.000 0.291 196 T C -2.027 172.105 174.700 -0.947 0.000 1.028 196 T CA -2.534 59.233 62.100 -0.554 0.000 0.995 196 T CB 2.688 71.316 68.868 -0.399 0.000 1.051 196 T HN 0.028 nan 8.240 nan 0.000 0.470 197 P HA -0.200 nan 4.420 nan 0.000 0.216 197 P C 1.273 178.314 177.300 -0.433 0.000 1.150 197 P CA 1.354 63.837 63.100 -1.029 0.000 0.843 197 P CB 0.142 31.351 31.700 -0.818 0.000 0.787 198 E N -0.219 119.759 120.200 -0.371 0.000 2.418 198 E HA -0.150 4.200 4.350 -0.000 0.000 0.197 198 E C 1.044 177.552 176.600 -0.153 0.000 1.026 198 E CA 0.836 57.111 56.400 -0.208 0.000 0.862 198 E CB -0.948 28.639 29.700 -0.189 0.000 0.799 198 E HN 0.186 nan 8.360 nan 0.000 0.518 199 N N 0.210 118.802 118.700 -0.180 0.000 2.214 199 N HA 0.059 4.799 4.740 -0.000 0.000 0.214 199 N C -0.988 174.487 175.510 -0.059 0.000 1.132 199 N CA 0.075 53.062 53.050 -0.106 0.000 0.856 199 N CB 0.712 39.139 38.487 -0.099 0.000 1.020 199 N HN -0.025 nan 8.380 nan 0.000 0.509 200 T N -0.959 113.566 114.554 -0.050 0.000 2.924 200 T HA 0.606 4.956 4.350 -0.000 0.000 0.291 200 T C -0.891 173.863 174.700 0.090 0.000 1.045 200 T CA -0.582 61.548 62.100 0.050 0.000 1.015 200 T CB 2.421 71.375 68.868 0.143 0.000 1.103 200 T HN -0.301 nan 8.240 nan 0.000 0.496 201 V N 1.154 121.162 119.914 0.157 0.000 2.686 201 V HA 0.752 4.872 4.120 -0.000 0.000 0.306 201 V C -0.597 175.641 176.094 0.240 0.000 1.065 201 V CA -0.965 61.441 62.300 0.177 0.000 0.894 201 V CB 1.779 33.690 31.823 0.146 0.000 1.004 201 V HN 1.133 nan 8.190 nan 0.000 0.424 202 A N 3.684 126.631 122.820 0.212 0.000 2.288 202 A HA 0.972 5.292 4.320 -0.000 0.000 0.320 202 A C -0.106 177.573 177.584 0.159 0.000 1.217 202 A CA -0.092 52.043 52.037 0.163 0.000 0.840 202 A CB 1.210 20.352 19.000 0.238 0.000 1.179 202 A HN 1.460 nan 8.150 nan 0.000 0.504 203 A N 1.921 124.729 122.820 -0.020 0.000 2.435 203 A HA 0.928 5.248 4.320 -0.000 0.000 0.304 203 A C -1.207 176.216 177.584 -0.268 0.000 1.064 203 A CA -0.422 51.648 52.037 0.055 0.000 0.727 203 A CB 0.856 19.921 19.000 0.108 0.000 1.284 203 A HN 0.760 nan 8.150 nan 0.000 0.415 204 F N 0.019 120.068 119.950 0.166 0.000 2.603 204 F HA 0.703 5.230 4.527 -0.000 0.000 0.317 204 F C -0.233 175.648 175.800 0.136 0.000 1.066 204 F CA -1.024 57.063 58.000 0.145 0.000 0.941 204 F CB 2.398 41.464 39.000 0.110 0.000 1.291 204 F HN 0.293 nan 8.300 nan 0.000 0.472 205 V N 0.803 120.895 119.914 0.297 0.000 2.569 205 V HA 0.621 4.741 4.120 -0.000 0.000 0.301 205 V C 0.216 176.402 176.094 0.154 0.000 1.044 205 V CA -0.384 62.033 62.300 0.195 0.000 0.874 205 V CB 1.156 33.065 31.823 0.144 0.000 1.002 205 V HN 1.077 nan 8.190 nan 0.000 0.424 206 G N 4.215 113.083 108.800 0.113 0.000 2.131 206 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.223 206 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.223 206 G C -0.217 174.732 174.900 0.082 0.000 0.990 206 G CA 0.119 45.256 45.100 0.063 0.000 0.671 206 G HN 0.886 nan 8.290 nan 0.000 0.521 207 V N 0.693 120.673 119.914 0.110 0.000 2.588 207 V HA 0.536 4.656 4.120 -0.000 0.000 0.304 207 V C -2.069 174.034 176.094 0.016 0.000 1.042 207 V CA -1.921 60.414 62.300 0.060 0.000 0.877 207 V CB 2.177 34.035 31.823 0.058 0.000 0.996 207 V HN 0.087 nan 8.190 nan 0.000 0.425 208 P HA 0.095 nan 4.420 nan 0.000 0.264 208 P C 0.607 177.888 177.300 -0.032 0.000 1.193 208 P CA 0.217 63.316 63.100 -0.003 0.000 0.763 208 P CB 0.408 32.102 31.700 -0.011 0.000 0.810 209 H N 2.650 121.671 119.070 -0.082 0.000 2.357 209 H HA -0.238 4.318 4.556 -0.000 0.000 0.296 209 H C 1.728 176.987 175.328 -0.116 0.000 1.108 209 H CA 2.135 58.120 56.048 -0.105 0.000 1.273 209 H CB 0.127 29.836 29.762 -0.087 0.000 1.367 209 H HN 0.409 nan 8.280 nan 0.000 0.498 210 E N 0.053 120.242 120.200 -0.018 0.000 2.077 210 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 210 E C 2.131 178.653 176.600 -0.131 0.000 0.989 210 E CA 1.225 57.588 56.400 -0.062 0.000 0.800 210 E CB -0.051 29.639 29.700 -0.017 0.000 0.746 210 E HN 0.226 nan 8.360 nan 0.000 0.452 211 K N 0.116 120.434 120.400 -0.137 0.000 2.057 211 K HA 0.016 4.336 4.320 -0.000 0.000 0.206 211 K C 1.828 178.272 176.600 -0.260 0.000 1.050 211 K CA 1.479 57.674 56.287 -0.153 0.000 0.935 211 K CB -0.686 31.743 32.500 -0.120 0.000 0.715 211 K HN 0.138 nan 8.250 nan 0.000 0.439 212 A N 0.704 123.264 122.820 -0.433 0.000 1.902 212 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 212 A C 2.269 179.588 177.584 -0.442 0.000 1.181 212 A CA 1.588 53.182 52.037 -0.738 0.000 0.623 212 A CB -0.746 17.637 19.000 -1.029 0.000 0.818 212 A HN 0.323 nan 8.150 nan 0.000 0.443 213 L N -0.878 120.118 121.223 -0.378 0.000 2.042 213 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 213 L C 2.681 179.468 176.870 -0.137 0.000 1.076 213 L CA 1.766 56.468 54.840 -0.231 0.000 0.749 213 L CB -0.553 41.382 42.059 -0.207 0.000 0.893 213 L HN 0.534 nan 8.230 nan 0.000 0.432 214 E N 0.042 120.159 120.200 -0.139 0.000 2.023 214 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 214 E C 2.311 178.849 176.600 -0.104 0.000 1.003 214 E CA 1.314 57.651 56.400 -0.106 0.000 0.809 214 E CB -0.139 29.504 29.700 -0.095 0.000 0.755 214 E HN 0.400 nan 8.360 nan 0.000 0.449 215 L N 0.461 121.633 121.223 -0.085 0.000 2.012 215 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 215 L C 2.679 179.593 176.870 0.074 0.000 1.073 215 L CA 1.383 56.224 54.840 0.001 0.000 0.748 215 L CB -0.742 41.378 42.059 0.101 0.000 0.891 215 L HN 0.196 nan 8.230 nan 0.000 0.431 216 T N -0.233 114.368 114.554 0.079 0.000 2.684 216 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 216 T C 1.834 176.592 174.700 0.098 0.000 1.036 216 T CA 1.497 63.693 62.100 0.160 0.000 1.148 216 T CB -0.643 68.314 68.868 0.149 0.000 0.863 216 T HN 0.589 nan 8.240 nan 0.000 0.436 217 G N 1.220 110.031 108.800 0.018 0.000 2.418 217 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 217 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 217 G C 1.484 176.358 174.900 -0.043 0.000 1.158 217 G CA 1.072 46.173 45.100 0.002 0.000 0.771 217 G HN 0.466 nan 8.290 nan 0.000 0.545 218 K N -0.646 119.661 120.400 -0.154 0.000 1.991 218 K HA -0.145 4.175 4.320 -0.000 0.000 0.212 218 K C 2.196 178.604 176.600 -0.320 0.000 1.049 218 K CA 1.553 57.635 56.287 -0.341 0.000 0.932 218 K CB -0.281 31.828 32.500 -0.653 0.000 0.717 218 K HN 0.405 nan 8.250 nan 0.000 0.441 219 Y N -0.731 119.590 120.300 0.035 0.000 2.448 219 Y HA 0.056 4.606 4.550 -0.000 0.000 0.289 219 Y C 1.380 177.297 175.900 0.028 0.000 1.114 219 Y CA 0.200 58.318 58.100 0.029 0.000 1.235 219 Y CB 0.401 38.874 38.460 0.022 0.000 1.045 219 Y HN 0.049 nan 8.280 nan 0.000 0.554 220 L N -1.336 120.005 121.223 0.197 0.000 2.858 220 L HA 0.367 4.707 4.340 -0.000 0.000 0.251 220 L C 2.131 179.152 176.870 0.252 0.000 1.149 220 L CA 0.243 55.207 54.840 0.206 0.000 0.955 220 L CB -0.649 41.560 42.059 0.250 0.000 1.289 220 L HN 0.166 nan 8.230 nan 0.000 0.542 221 G N 0.539 109.434 108.800 0.158 0.000 2.480 221 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 221 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 221 G C 1.046 176.033 174.900 0.146 0.000 1.200 221 G CA 1.005 46.181 45.100 0.126 0.000 0.782 221 G HN 0.543 nan 8.290 nan 0.000 0.554 222 D N -1.126 119.362 120.400 0.147 0.000 2.352 222 D HA -0.058 4.582 4.640 -0.000 0.000 0.232 222 D C 0.384 176.828 176.300 0.238 0.000 1.055 222 D CA -0.480 53.612 54.000 0.153 0.000 0.891 222 D CB -0.337 40.539 40.800 0.126 0.000 0.897 222 D HN 0.247 nan 8.370 nan 0.000 0.529 223 W N 2.612 123.931 121.300 0.032 0.000 2.251 223 W HA 0.214 4.874 4.660 -0.000 0.000 0.327 223 W C -0.268 176.247 176.519 -0.005 0.000 1.361 223 W CA -0.692 56.656 57.345 0.005 0.000 1.234 223 W CB 0.293 29.741 29.460 -0.020 0.000 1.212 223 W HN -0.062 nan 8.180 nan 0.000 0.557 224 Q N 4.018 123.914 119.800 0.159 0.000 2.377 224 Q HA 0.308 4.648 4.340 -0.000 0.000 0.271 224 Q C -0.276 175.587 176.000 -0.228 0.000 1.077 224 Q CA -0.956 54.813 55.803 -0.058 0.000 0.820 224 Q CB 2.218 30.978 28.738 0.036 0.000 1.347 224 Q HN 0.444 nan 8.270 nan 0.000 0.444 225 S N 0.123 115.612 115.700 -0.353 0.000 2.579 225 S HA 0.062 4.532 4.470 -0.000 0.000 0.275 225 S C 0.986 175.375 174.600 -0.352 0.000 1.345 225 S CA 0.222 58.136 58.200 -0.477 0.000 1.031 225 S CB 0.570 63.349 63.200 -0.700 0.000 0.892 225 S HN 0.748 nan 8.310 nan 0.000 0.529 226 T N 0.167 114.556 114.554 -0.274 0.000 3.060 226 T HA 0.203 4.553 4.350 -0.000 0.000 0.249 226 T C 0.224 174.890 174.700 -0.057 0.000 1.079 226 T CA 0.148 62.182 62.100 -0.109 0.000 1.013 226 T CB -0.513 68.313 68.868 -0.070 0.000 0.975 226 T HN 0.850 nan 8.240 nan 0.000 0.518 227 H N 1.972 120.984 119.070 -0.097 0.000 2.748 227 H HA -0.071 4.485 4.556 -0.000 0.000 0.322 227 H C -2.218 173.053 175.328 -0.094 0.000 1.208 227 H CA 0.565 56.559 56.048 -0.090 0.000 1.151 227 H CB -1.764 27.959 29.762 -0.065 0.000 1.505 227 H HN 0.529 nan 8.280 nan 0.000 0.429 228 P HA 0.255 nan 4.420 nan 0.000 0.276 228 P C -2.389 174.852 177.300 -0.098 0.000 1.261 228 P CA -1.319 61.714 63.100 -0.111 0.000 0.800 228 P CB 0.425 31.995 31.700 -0.215 0.000 1.066 229 P HA 0.238 nan 4.420 nan 0.000 0.276 229 P C -0.436 176.808 177.300 -0.093 0.000 1.253 229 P CA -0.179 62.878 63.100 -0.070 0.000 0.766 229 P CB -0.121 31.548 31.700 -0.051 0.000 0.845 230 I N 2.815 123.346 120.570 -0.063 0.000 2.664 230 I HA 0.037 4.207 4.170 -0.000 0.000 0.284 230 I C 1.196 177.300 176.117 -0.022 0.000 1.154 230 I CA 0.966 62.233 61.300 -0.055 0.000 1.402 230 I CB -0.512 37.472 38.000 -0.026 0.000 1.395 230 I HN 0.384 nan 8.210 nan 0.000 0.545 231 T N 2.082 116.630 114.554 -0.009 0.000 3.487 231 T HA 0.316 4.666 4.350 -0.000 0.000 0.287 231 T C 0.186 174.973 174.700 0.144 0.000 1.004 231 T CA -0.832 61.302 62.100 0.056 0.000 0.977 231 T CB -0.455 68.442 68.868 0.049 0.000 1.180 231 T HN 0.412 nan 8.240 nan 0.000 0.490 232 K N 2.377 122.860 120.400 0.139 0.000 2.266 232 K HA 0.340 4.660 4.320 -0.000 0.000 0.274 232 K C -0.203 176.514 176.600 0.195 0.000 1.090 232 K CA -0.480 55.962 56.287 0.259 0.000 0.925 232 K CB 1.111 33.747 32.500 0.225 0.000 1.225 232 K HN 0.328 nan 8.250 nan 0.000 0.458 233 K N 1.609 122.115 120.400 0.175 0.000 2.270 233 K HA 0.110 4.430 4.320 -0.000 0.000 0.276 233 K C 0.279 176.922 176.600 0.073 0.000 1.023 233 K CA -0.587 55.760 56.287 0.100 0.000 0.955 233 K CB 1.199 33.743 32.500 0.073 0.000 0.975 233 K HN 0.303 nan 8.250 nan 0.000 0.471 234 V N 1.139 121.091 119.914 0.064 0.000 2.686 234 V HA 0.356 4.476 4.120 -0.000 0.000 0.295 234 V C 0.087 176.201 176.094 0.035 0.000 1.055 234 V CA -0.477 61.855 62.300 0.053 0.000 1.050 234 V CB 0.733 32.595 31.823 0.066 0.000 0.984 234 V HN 0.836 nan 8.190 nan 0.000 0.482 235 A N 5.264 128.090 122.820 0.009 0.000 2.492 235 A HA 0.422 4.742 4.320 -0.000 0.000 0.254 235 A C 0.225 177.904 177.584 0.159 0.000 1.091 235 A CA -0.150 51.885 52.037 -0.003 0.000 0.768 235 A CB -0.173 18.740 19.000 -0.144 0.000 1.028 235 A HN 0.979 nan 8.150 nan 0.000 0.498 236 Q N 1.708 121.642 119.800 0.222 0.000 2.425 236 Q HA 0.252 4.592 4.340 -0.000 0.000 0.254 236 Q C -1.274 174.928 176.000 0.337 0.000 1.032 236 Q CA -0.343 55.606 55.803 0.243 0.000 0.798 236 Q CB 1.599 30.422 28.738 0.141 0.000 1.210 236 Q HN 0.748 nan 8.270 nan 0.000 0.491 237 Y N 2.312 122.730 120.300 0.197 0.000 2.526 237 Y HA -0.042 4.508 4.550 -0.000 0.000 0.330 237 Y C 1.111 176.963 175.900 -0.080 0.000 1.156 237 Y CA 1.219 59.268 58.100 -0.084 0.000 1.419 237 Y CB 0.818 39.201 38.460 -0.129 0.000 1.250 237 Y HN 0.697 nan 8.280 nan 0.000 0.540 238 T N 1.827 115.969 114.554 -0.687 0.000 2.964 238 T HA 0.511 4.861 4.350 -0.000 0.000 0.249 238 T C 0.891 175.246 174.700 -0.574 0.000 1.000 238 T CA 0.336 62.175 62.100 -0.436 0.000 0.992 238 T CB -0.473 68.245 68.868 -0.251 0.000 1.087 238 T HN 1.459 nan 8.240 nan 0.000 0.489 239 G N -0.059 108.105 108.800 -1.059 0.000 2.796 239 G HA2 0.407 4.367 3.960 -0.000 0.000 0.571 239 G HA3 0.407 4.367 3.960 -0.000 0.000 0.571 239 G C 0.014 174.713 174.900 -0.334 0.000 1.370 239 G CA -0.533 44.198 45.100 -0.616 0.000 0.856 239 G HN 1.913 nan 8.290 nan 0.000 0.538 240 G N -1.144 107.532 108.800 -0.206 0.000 2.356 240 G HA2 0.582 4.542 3.960 -0.000 0.000 0.300 240 G HA3 0.582 4.542 3.960 -0.000 0.000 0.300 240 G C -1.265 173.565 174.900 -0.116 0.000 1.331 240 G CA 0.242 45.257 45.100 -0.140 0.000 0.905 240 G HN 1.001 nan 8.290 nan 0.000 0.587 241 E N -0.666 119.481 120.200 -0.089 0.000 2.248 241 E HA 0.693 5.043 4.350 -0.000 0.000 0.267 241 E C -1.044 175.512 176.600 -0.074 0.000 0.877 241 E CA -0.744 55.606 56.400 -0.083 0.000 0.759 241 E CB 2.258 31.918 29.700 -0.066 0.000 1.182 241 E HN 0.500 nan 8.360 nan 0.000 0.418 242 S N 1.337 116.987 115.700 -0.084 0.000 2.537 242 S HA 0.493 4.963 4.470 -0.000 0.000 0.270 242 S C -1.896 172.652 174.600 -0.086 0.000 1.142 242 S CA -0.557 57.603 58.200 -0.067 0.000 0.870 242 S CB 1.471 64.643 63.200 -0.048 0.000 1.112 242 S HN 0.614 nan 8.310 nan 0.000 0.466 243 C N 6.274 125.534 119.300 -0.067 0.000 2.516 243 C HA 0.770 5.230 4.460 -0.000 0.000 0.338 243 C C -0.716 174.247 174.990 -0.045 0.000 1.132 243 C CA -0.749 58.221 59.018 -0.080 0.000 1.310 243 C CB -0.799 26.893 27.740 -0.081 0.000 1.898 243 C HN 0.849 nan 8.230 nan 0.000 0.452 244 I N 3.543 124.093 120.570 -0.034 0.000 2.707 244 I HA 0.724 4.894 4.170 -0.000 0.000 0.309 244 I C -2.571 173.523 176.117 -0.040 0.000 1.001 244 I CA -2.595 58.698 61.300 -0.011 0.000 1.129 244 I CB 1.117 39.145 38.000 0.048 0.000 1.308 244 I HN 0.302 nan 8.210 nan 0.000 0.466 245 P HA 0.170 nan 4.420 nan 0.000 0.269 245 P C -2.531 174.726 177.300 -0.072 0.000 1.217 245 P CA -0.558 62.506 63.100 -0.060 0.000 0.783 245 P CB -0.340 31.338 31.700 -0.037 0.000 0.898 246 P HA 0.061 nan 4.420 nan 0.000 0.268 246 P C -0.465 176.836 177.300 0.002 0.000 1.204 246 P CA 0.389 63.444 63.100 -0.074 0.000 0.768 246 P CB 0.235 31.953 31.700 0.030 0.000 0.842 247 A N 5.651 128.498 122.820 0.045 0.000 2.466 247 A HA 0.308 4.628 4.320 -0.000 0.000 0.238 247 A C -1.927 175.573 177.584 -0.140 0.000 1.074 247 A CA -0.802 51.248 52.037 0.021 0.000 0.774 247 A CB -1.333 17.741 19.000 0.123 0.000 1.015 247 A HN 0.430 nan 8.150 nan 0.000 0.498 248 P HA 0.221 nan 4.420 nan 0.000 0.268 248 P C -0.305 176.513 177.300 -0.804 0.000 1.204 248 P CA -0.185 62.662 63.100 -0.421 0.000 0.768 248 P CB 0.538 32.054 31.700 -0.305 0.000 0.842 249 V N 1.563 121.213 119.914 -0.440 0.000 2.364 249 V HA 0.123 4.243 4.120 -0.000 0.000 0.252 249 V C 0.520 176.439 176.094 -0.292 0.000 1.075 249 V CA -0.021 62.074 62.300 -0.341 0.000 1.033 249 V CB -1.752 29.992 31.823 -0.133 0.000 1.116 249 V HN 0.245 nan 8.190 nan 0.000 0.488 250 F N 4.363 124.337 119.950 0.039 0.000 2.114 250 F HA 0.484 5.011 4.527 -0.000 0.000 0.217 250 F C 2.053 177.867 175.800 0.023 0.000 0.979 250 F CA 1.288 59.306 58.000 0.031 0.000 1.096 250 F CB -1.177 37.844 39.000 0.034 0.000 1.972 250 F HN 0.589 nan 8.300 nan 0.000 0.655 251 G N -0.120 108.848 108.800 0.279 0.000 3.224 251 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.161 251 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.161 251 G C 0.681 175.645 174.900 0.107 0.000 1.872 251 G CA 0.264 45.448 45.100 0.141 0.000 1.012 251 G HN 0.540 nan 8.290 nan 0.000 0.504 252 N N -0.092 118.658 118.700 0.083 0.000 2.459 252 N HA 0.007 4.747 4.740 -0.000 0.000 0.181 252 N C 0.986 176.541 175.510 0.075 0.000 1.046 252 N CA 0.052 53.139 53.050 0.062 0.000 0.904 252 N CB -0.493 38.020 38.487 0.044 0.000 0.964 252 N HN 0.307 nan 8.380 nan 0.000 0.444 253 L N 0.957 122.249 121.223 0.115 0.000 2.593 253 L HA 0.060 4.400 4.340 -0.000 0.000 0.287 253 L C -1.851 175.085 176.870 0.109 0.000 1.243 253 L CA -1.125 53.797 54.840 0.136 0.000 0.890 253 L CB -0.297 41.905 42.059 0.238 0.000 1.134 253 L HN 0.075 nan 8.230 nan 0.000 0.502 254 P HA 0.094 nan 4.420 nan 0.000 0.276 254 P C -0.500 176.833 177.300 0.055 0.000 1.243 254 P CA -0.412 62.720 63.100 0.054 0.000 0.768 254 P CB 0.615 32.342 31.700 0.046 0.000 0.856 255 E N 3.429 123.638 120.200 0.016 0.000 2.415 255 E HA 0.160 4.510 4.350 -0.000 0.000 0.263 255 E C -0.958 175.638 176.600 -0.007 0.000 0.995 255 E CA -0.063 56.342 56.400 0.008 0.000 0.915 255 E CB 0.215 29.897 29.700 -0.029 0.000 0.951 255 E HN 0.384 nan 8.360 nan 0.000 0.449 256 L N 3.831 125.078 121.223 0.040 0.000 2.333 256 L HA 0.540 4.880 4.340 -0.000 0.000 0.263 256 L C -0.853 176.085 176.870 0.114 0.000 1.014 256 L CA -1.071 53.756 54.840 -0.021 0.000 0.820 256 L CB 1.272 43.278 42.059 -0.089 0.000 1.352 256 L HN 0.531 nan 8.230 nan 0.000 0.421 257 F N -0.059 119.718 119.950 -0.288 0.000 2.556 257 F HA 0.596 5.122 4.527 -0.000 0.000 0.327 257 F C 0.198 175.823 175.800 -0.292 0.000 1.059 257 F CA -0.852 57.044 58.000 -0.173 0.000 0.953 257 F CB 1.632 40.615 39.000 -0.029 0.000 1.227 257 F HN 0.293 nan 8.300 nan 0.000 0.478 258 H N 2.322 121.613 119.070 0.370 0.000 2.821 258 H HA 0.657 5.213 4.556 -0.000 0.000 0.373 258 H C -1.078 174.338 175.328 0.147 0.000 1.165 258 H CA -0.708 55.481 56.048 0.235 0.000 1.154 258 H CB 3.235 33.071 29.762 0.123 0.000 1.765 258 H HN 0.605 nan 8.280 nan 0.000 0.549 259 I N 1.097 121.803 120.570 0.226 0.000 2.775 259 I HA 0.193 4.363 4.170 -0.000 0.000 0.295 259 I C -1.601 174.557 176.117 0.069 0.000 1.287 259 I CA -0.366 60.941 61.300 0.012 0.000 1.029 259 I CB 2.605 40.574 38.000 -0.051 0.000 1.282 259 I HN 0.518 nan 8.210 nan 0.000 0.426 260 Q N 7.060 126.874 119.800 0.023 0.000 2.323 260 Q HA 0.627 4.967 4.340 -0.000 0.000 0.271 260 Q C -1.515 174.547 176.000 0.103 0.000 1.048 260 Q CA -0.697 55.186 55.803 0.133 0.000 0.792 260 Q CB 3.210 31.997 28.738 0.081 0.000 1.280 260 Q HN 0.544 nan 8.270 nan 0.000 0.441 261 I N 1.307 121.975 120.570 0.163 0.000 2.466 261 I HA 0.735 4.905 4.170 -0.000 0.000 0.289 261 I C 0.015 176.184 176.117 0.086 0.000 1.026 261 I CA -0.602 60.725 61.300 0.045 0.000 1.078 261 I CB 2.188 40.183 38.000 -0.007 0.000 1.249 261 I HN 0.685 nan 8.210 nan 0.000 0.429 262 G N 4.658 113.439 108.800 -0.031 0.000 2.660 262 G HA2 0.747 4.707 3.960 -0.000 0.000 0.290 262 G HA3 0.747 4.707 3.960 -0.000 0.000 0.290 262 G C -1.730 173.016 174.900 -0.257 0.000 1.432 262 G CA -0.393 44.726 45.100 0.033 0.000 0.807 262 G HN 0.306 nan 8.290 nan 0.000 0.485 263 F N -0.703 119.351 119.950 0.172 0.000 2.654 263 F HA 0.554 5.081 4.527 -0.000 0.000 0.334 263 F C 0.483 176.177 175.800 -0.178 0.000 1.078 263 F CA -0.841 57.187 58.000 0.047 0.000 0.986 263 F CB 1.973 40.975 39.000 0.004 0.000 1.362 263 F HN 0.544 nan 8.300 nan 0.000 0.498 264 E N 0.506 120.437 120.200 -0.448 0.000 2.414 264 E HA 0.399 4.749 4.350 -0.000 0.000 0.263 264 E C 0.087 176.534 176.600 -0.255 0.000 1.000 264 E CA 0.080 56.056 56.400 -0.707 0.000 0.914 264 E CB 0.670 29.684 29.700 -1.144 0.000 0.948 264 E HN 0.743 nan 8.360 nan 0.000 0.444 265 G N 3.807 112.536 108.800 -0.118 0.000 2.849 265 G HA2 0.501 4.461 3.960 -0.000 0.000 0.174 265 G HA3 0.501 4.461 3.960 -0.000 0.000 0.174 265 G C -0.712 174.101 174.900 -0.145 0.000 1.370 265 G CA -0.699 44.343 45.100 -0.096 0.000 1.040 265 G HN 0.506 nan 8.290 nan 0.000 0.582 266 L N 0.325 121.461 121.223 -0.145 0.000 2.323 266 L HA 0.422 4.762 4.340 -0.000 0.000 0.265 266 L C -2.503 174.335 176.870 -0.054 0.000 1.012 266 L CA -1.952 52.776 54.840 -0.187 0.000 0.820 266 L CB 2.647 44.462 42.059 -0.408 0.000 1.334 266 L HN 0.209 nan 8.230 nan 0.000 0.427 267 P HA 0.043 nan 4.420 nan 0.000 0.271 267 P C 0.936 178.259 177.300 0.038 0.000 1.216 267 P CA -0.456 62.687 63.100 0.072 0.000 0.776 267 P CB 0.443 32.213 31.700 0.116 0.000 0.881 268 I N 1.158 121.739 120.570 0.018 0.000 2.623 268 I HA -0.192 3.978 4.170 -0.000 0.000 0.261 268 I C 0.316 176.409 176.117 -0.040 0.000 1.204 268 I CA 1.911 63.196 61.300 -0.026 0.000 1.444 268 I CB -1.501 36.496 38.000 -0.005 0.000 1.094 268 I HN 0.239 nan 8.210 nan 0.000 0.451 269 D N -0.833 119.567 120.400 0.001 0.000 2.462 269 D HA 0.024 4.663 4.640 -0.000 0.000 0.221 269 D C 0.960 177.225 176.300 -0.059 0.000 1.173 269 D CA -0.367 53.589 54.000 -0.073 0.000 0.831 269 D CB -0.793 39.934 40.800 -0.121 0.000 1.001 269 D HN 0.404 nan 8.370 nan 0.000 0.499 270 H N 1.429 120.435 119.070 -0.107 0.000 2.707 270 H HA 0.110 4.666 4.556 -0.000 0.000 0.359 270 H C -1.548 173.716 175.328 -0.106 0.000 1.113 270 H CA -1.144 54.850 56.048 -0.091 0.000 1.422 270 H CB 1.577 31.289 29.762 -0.083 0.000 1.443 270 H HN -0.214 nan 8.280 nan 0.000 0.591 271 P HA -0.126 nan 4.420 nan 0.000 0.215 271 P C 0.477 177.875 177.300 0.164 0.000 1.153 271 P CA 1.391 64.499 63.100 0.014 0.000 0.853 271 P CB 0.326 31.956 31.700 -0.117 0.000 0.788 272 D N -1.367 119.235 120.400 0.337 0.000 2.319 272 D HA 0.006 4.646 4.640 -0.000 0.000 0.230 272 D C 1.664 177.953 176.300 -0.018 0.000 1.094 272 D CA -0.029 54.031 54.000 0.101 0.000 0.856 272 D CB -0.310 40.491 40.800 0.001 0.000 0.915 272 D HN 0.073 nan 8.370 nan 0.000 0.517 273 I N 0.517 121.062 120.570 -0.041 0.000 2.208 273 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 273 I C 1.636 177.642 176.117 -0.185 0.000 1.097 273 I CA 1.408 62.595 61.300 -0.188 0.000 1.363 273 I CB -0.456 37.361 38.000 -0.305 0.000 1.051 273 I HN 0.018 nan 8.210 nan 0.000 0.413 274 Y N 0.899 121.193 120.300 -0.009 0.000 2.224 274 Y HA -0.159 4.391 4.550 -0.000 0.000 0.289 274 Y C 2.597 178.484 175.900 -0.022 0.000 1.146 274 Y CA 1.372 59.465 58.100 -0.012 0.000 1.182 274 Y CB -1.070 37.384 38.460 -0.010 0.000 0.983 274 Y HN 0.202 nan 8.280 nan 0.000 0.524 275 A N -0.214 122.671 122.820 0.107 0.000 1.877 275 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 275 A C 2.202 179.765 177.584 -0.034 0.000 1.186 275 A CA 1.630 53.681 52.037 0.023 0.000 0.620 275 A CB -1.140 17.848 19.000 -0.020 0.000 0.822 275 A HN 0.404 nan 8.150 nan 0.000 0.443 276 L N -0.316 120.846 121.223 -0.101 0.000 2.127 276 L HA -0.092 4.248 4.340 -0.000 0.000 0.211 276 L C 2.596 179.477 176.870 0.018 0.000 1.089 276 L CA 2.018 56.754 54.840 -0.174 0.000 0.757 276 L CB -0.521 41.378 42.059 -0.266 0.000 0.899 276 L HN 0.355 nan 8.230 nan 0.000 0.434 277 A N -1.983 120.864 122.820 0.044 0.000 1.929 277 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 277 A C 2.233 179.874 177.584 0.096 0.000 1.176 277 A CA 1.880 53.970 52.037 0.088 0.000 0.628 277 A CB -0.941 18.104 19.000 0.074 0.000 0.816 277 A HN 0.471 nan 8.150 nan 0.000 0.444 278 T N 0.304 114.906 114.554 0.080 0.000 2.777 278 T HA -0.127 4.222 4.350 -0.000 0.000 0.266 278 T C 1.829 176.574 174.700 0.076 0.000 1.040 278 T CA 1.478 63.619 62.100 0.069 0.000 1.141 278 T CB -0.374 68.526 68.868 0.053 0.000 0.868 278 T HN 0.332 nan 8.240 nan 0.000 0.444 279 L N 1.368 122.632 121.223 0.069 0.000 2.079 279 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 279 L C 2.437 179.435 176.870 0.213 0.000 1.081 279 L CA 1.753 56.654 54.840 0.102 0.000 0.752 279 L CB -0.811 41.243 42.059 -0.007 0.000 0.896 279 L HN 0.132 nan 8.230 nan 0.000 0.433 280 Q N -0.802 119.150 119.800 0.255 0.000 2.046 280 Q HA -0.156 4.184 4.340 -0.000 0.000 0.200 280 Q C 1.996 178.049 176.000 0.087 0.000 0.975 280 Q CA 2.334 58.246 55.803 0.183 0.000 0.836 280 Q CB -0.217 28.598 28.738 0.129 0.000 0.896 280 Q HN 0.589 nan 8.270 nan 0.000 0.428 281 T N 2.076 116.681 114.554 0.085 0.000 2.821 281 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 281 T C 1.923 176.668 174.700 0.074 0.000 1.046 281 T CA 1.026 63.168 62.100 0.069 0.000 1.139 281 T CB -0.223 68.683 68.868 0.064 0.000 0.871 281 T HN 0.247 nan 8.240 nan 0.000 0.454 282 L N 0.337 121.608 121.223 0.080 0.000 2.056 282 L HA 0.001 4.341 4.340 -0.000 0.000 0.207 282 L C 2.180 179.093 176.870 0.071 0.000 1.078 282 L CA 1.283 56.167 54.840 0.073 0.000 0.749 282 L CB -0.227 41.875 42.059 0.072 0.000 0.901 282 L HN 0.243 nan 8.230 nan 0.000 0.433 283 L N -0.770 120.504 121.223 0.085 0.000 2.093 283 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 283 L C 1.886 178.790 176.870 0.056 0.000 1.085 283 L CA 0.748 55.626 54.840 0.064 0.000 0.755 283 L CB -1.183 40.926 42.059 0.083 0.000 0.904 283 L HN 0.545 nan 8.230 nan 0.000 0.435 284 G N -0.352 108.486 108.800 0.064 0.000 2.651 284 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.315 284 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.315 284 G C 0.582 175.526 174.900 0.073 0.000 1.258 284 G CA 0.334 45.487 45.100 0.089 0.000 1.002 284 G HN 1.091 nan 8.290 nan 0.000 0.551 285 G N -2.787 106.093 108.800 0.135 0.000 2.396 285 G HA2 0.595 4.555 3.960 -0.000 0.000 0.254 285 G HA3 0.595 4.555 3.960 -0.000 0.000 0.254 285 G C 0.683 175.568 174.900 -0.026 0.000 1.248 285 G CA 0.690 45.761 45.100 -0.049 0.000 1.033 285 G HN 3.143 nan 8.290 nan 0.000 0.502 286 G N -2.134 106.580 108.800 -0.144 0.000 2.320 286 G HA2 0.660 4.620 3.960 -0.000 0.000 0.274 286 G HA3 0.660 4.620 3.960 -0.000 0.000 0.274 286 G C 0.263 175.107 174.900 -0.093 0.000 1.324 286 G CA 0.778 45.861 45.100 -0.027 0.000 0.957 286 G HN 2.342 nan 8.290 nan 0.000 0.481 287 G N -0.433 108.374 108.800 0.013 0.000 2.451 287 G HA2 0.603 4.563 3.960 -0.000 0.000 0.303 287 G HA3 0.603 4.563 3.960 -0.000 0.000 0.303 287 G C 0.522 175.434 174.900 0.020 0.000 1.166 287 G CA 1.004 46.114 45.100 0.016 0.000 0.884 287 G HN 1.132 nan 8.290 nan 0.000 0.514 294 P HA 0.391 nan 4.420 nan 0.000 0.266 294 P C 1.050 178.360 177.300 0.017 0.000 1.193 294 P CA 1.810 64.921 63.100 0.017 0.000 0.770 294 P CB 0.855 32.580 31.700 0.041 0.000 0.836 295 G N 1.818 110.634 108.800 0.026 0.000 2.201 295 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.212 295 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.212 295 G C 0.709 175.612 174.900 0.004 0.000 0.994 295 G CA 0.239 45.353 45.100 0.024 0.000 0.644 295 G HN 0.663 nan 8.290 nan 0.000 0.508 296 K N 0.984 121.365 120.400 -0.032 0.000 2.589 296 K HA 0.430 4.750 4.320 -0.000 0.000 0.192 296 K C 1.567 178.112 176.600 -0.092 0.000 1.029 296 K CA 0.704 56.959 56.287 -0.054 0.000 1.031 296 K CB -0.121 32.333 32.500 -0.077 0.000 0.821 296 K HN 1.559 nan 8.250 nan 0.000 0.502 297 G N 2.668 111.418 108.800 -0.082 0.000 2.160 297 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.244 297 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.244 297 G C 0.582 175.288 174.900 -0.322 0.000 1.022 297 G CA 0.543 45.599 45.100 -0.073 0.000 0.741 297 G HN 0.593 nan 8.290 nan 0.000 0.508 298 M N -2.318 116.937 119.600 -0.575 0.000 2.557 298 M HA 0.266 4.746 4.480 -0.000 0.000 0.259 298 M C 1.293 177.240 176.300 -0.588 0.000 1.086 298 M CA 1.138 55.839 55.300 -0.999 0.000 1.096 298 M CB -0.149 31.954 32.600 -0.828 0.000 1.424 298 M HN 0.155 nan 8.290 nan 0.000 0.488 299 Y N 1.845 122.063 120.300 -0.137 0.000 2.708 299 Y HA 0.349 4.899 4.550 -0.000 0.000 0.287 299 Y C 0.661 176.572 175.900 0.019 0.000 1.145 299 Y CA -0.893 57.190 58.100 -0.029 0.000 1.249 299 Y CB -0.139 38.305 38.460 -0.026 0.000 1.152 299 Y HN 0.282 nan 8.280 nan 0.000 0.532 300 S N -1.324 114.472 115.700 0.159 0.000 2.578 300 S HA 0.384 4.854 4.470 -0.000 0.000 0.283 300 S C 1.187 175.849 174.600 0.103 0.000 1.195 300 S CA -0.962 57.322 58.200 0.140 0.000 1.050 300 S CB 1.910 65.207 63.200 0.162 0.000 1.012 300 S HN 0.359 nan 8.310 nan 0.000 0.511 301 R N 0.574 121.067 120.500 -0.011 0.000 2.133 301 R HA -0.143 4.197 4.340 -0.000 0.000 0.245 301 R C 1.869 178.096 176.300 -0.122 0.000 1.137 301 R CA 1.939 57.912 56.100 -0.212 0.000 0.947 301 R CB -1.054 29.076 30.300 -0.284 0.000 0.865 301 R HN 0.690 nan 8.270 nan 0.000 0.437 302 L N -0.718 120.490 121.223 -0.024 0.000 2.127 302 L HA -0.232 4.108 4.340 -0.000 0.000 0.211 302 L C 2.286 179.138 176.870 -0.031 0.000 1.089 302 L CA 1.331 56.159 54.840 -0.020 0.000 0.757 302 L CB -0.485 41.552 42.059 -0.037 0.000 0.899 302 L HN 0.198 nan 8.230 nan 0.000 0.434 303 Y N 0.383 120.682 120.300 -0.001 0.000 2.092 303 Y HA -0.252 4.298 4.550 -0.000 0.000 0.282 303 Y C 2.865 178.776 175.900 0.018 0.000 1.126 303 Y CA 2.121 60.219 58.100 -0.003 0.000 1.111 303 Y CB -0.680 37.761 38.460 -0.032 0.000 0.987 303 Y HN 0.047 nan 8.280 nan 0.000 0.489 304 T N -0.782 113.908 114.554 0.227 0.000 2.580 304 T HA -0.274 4.076 4.350 -0.000 0.000 0.265 304 T C 1.469 176.330 174.700 0.268 0.000 1.063 304 T CA 2.179 64.414 62.100 0.226 0.000 1.170 304 T CB -0.725 68.311 68.868 0.279 0.000 0.863 304 T HN 0.530 nan 8.240 nan 0.000 0.418 305 H N -0.500 118.606 119.070 0.060 0.000 2.555 305 H HA 0.183 4.739 4.556 -0.000 0.000 0.269 305 H C 1.584 176.971 175.328 0.099 0.000 0.988 305 H CA 0.303 56.386 56.048 0.059 0.000 1.178 305 H CB 0.338 30.148 29.762 0.080 0.000 1.373 305 H HN 0.200 nan 8.280 nan 0.000 0.588 306 V N -0.619 119.407 119.914 0.187 0.000 3.279 306 V HA -0.092 4.028 4.120 -0.000 0.000 0.213 306 V C 1.814 177.958 176.094 0.084 0.000 1.335 306 V CA -0.074 62.353 62.300 0.213 0.000 1.317 306 V CB -0.067 31.809 31.823 0.090 0.000 1.209 306 V HN 0.129 nan 8.190 nan 0.000 0.525 307 L N 1.625 122.816 121.223 -0.054 0.000 2.079 307 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 307 L C 1.826 178.647 176.870 -0.081 0.000 1.081 307 L CA 1.955 56.717 54.840 -0.131 0.000 0.752 307 L CB -1.330 40.520 42.059 -0.347 0.000 0.896 307 L HN 0.444 nan 8.230 nan 0.000 0.433 308 N N -1.137 117.536 118.700 -0.045 0.000 2.336 308 N HA -0.024 4.716 4.740 -0.000 0.000 0.189 308 N C 1.406 176.799 175.510 -0.195 0.000 1.113 308 N CA 0.236 53.250 53.050 -0.060 0.000 0.858 308 N CB 0.403 38.895 38.487 0.008 0.000 0.970 308 N HN 0.394 nan 8.380 nan 0.000 0.471 309 Q N -0.641 118.964 119.800 -0.325 0.000 2.316 309 Q HA 0.187 4.527 4.340 -0.000 0.000 0.235 309 Q C -0.476 174.871 176.000 -1.088 0.000 0.863 309 Q CA 0.349 55.755 55.803 -0.662 0.000 0.939 309 Q CB 0.835 29.117 28.738 -0.760 0.000 1.108 309 Q HN 0.327 nan 8.270 nan 0.000 0.522 310 Y N -0.305 119.620 120.300 -0.626 0.000 2.457 310 Y HA 0.250 4.799 4.550 -0.000 0.000 0.343 310 Y C -0.008 175.360 175.900 -0.887 0.000 0.994 310 Y CA -1.147 56.307 58.100 -1.077 0.000 1.031 310 Y CB 1.079 38.684 38.460 -1.425 0.000 1.246 310 Y HN -0.018 nan 8.280 nan 0.000 0.449 311 Y N -0.554 119.539 120.300 -0.345 0.000 2.612 311 Y HA 0.232 4.782 4.550 -0.000 0.000 0.250 311 Y C 0.700 176.556 175.900 -0.073 0.000 1.175 311 Y CA -0.942 57.062 58.100 -0.159 0.000 1.205 311 Y CB -0.162 38.263 38.460 -0.057 0.000 1.201 311 Y HN 0.515 nan 8.280 nan 0.000 0.532 312 F N -1.083 119.047 119.950 0.300 0.000 2.765 312 F HA 0.433 4.960 4.527 -0.000 0.000 0.302 312 F C -0.204 175.642 175.800 0.078 0.000 1.111 312 F CA -1.165 56.934 58.000 0.165 0.000 1.359 312 F CB -0.666 38.409 39.000 0.124 0.000 1.097 312 F HN -0.173 nan 8.300 nan 0.000 0.577 313 V N 2.600 122.491 119.914 -0.038 0.000 2.328 313 V HA 0.204 4.324 4.120 -0.000 0.000 0.278 313 V C 0.746 176.845 176.094 0.008 0.000 1.021 313 V CA -0.392 61.907 62.300 -0.002 0.000 0.838 313 V CB 1.181 32.915 31.823 -0.149 0.000 0.999 313 V HN 0.356 nan 8.190 nan 0.000 0.447 314 E N 4.396 124.630 120.200 0.056 0.000 2.447 314 E HA 0.072 4.422 4.350 -0.000 0.000 0.195 314 E C 0.435 177.056 176.600 0.035 0.000 1.028 314 E CA 0.358 56.789 56.400 0.052 0.000 0.876 314 E CB 0.342 30.087 29.700 0.075 0.000 0.885 314 E HN 0.670 nan 8.360 nan 0.000 0.500 315 N N -0.946 117.774 118.700 0.033 0.000 2.446 315 N HA 0.340 5.080 4.740 -0.000 0.000 0.272 315 N C -2.374 173.140 175.510 0.007 0.000 1.127 315 N CA -0.686 52.374 53.050 0.017 0.000 0.896 315 N CB 2.161 40.691 38.487 0.071 0.000 1.658 315 N HN 0.172 nan 8.380 nan 0.000 0.483 316 C N 3.630 122.904 119.300 -0.043 0.000 2.924 316 C HA 0.787 5.247 4.460 -0.000 0.000 0.400 316 C C -1.722 173.235 174.990 -0.054 0.000 1.032 316 C CA -0.318 58.680 59.018 -0.033 0.000 1.236 316 C CB -0.259 27.445 27.740 -0.059 0.000 1.660 316 C HN 0.673 nan 8.230 nan 0.000 0.510 317 V N 5.539 125.452 119.914 -0.002 0.000 3.087 317 V HA 0.933 5.053 4.120 -0.000 0.000 0.306 317 V C -0.222 175.860 176.094 -0.021 0.000 1.187 317 V CA 0.332 62.629 62.300 -0.006 0.000 0.999 317 V CB 2.243 34.080 31.823 0.023 0.000 1.049 317 V HN 1.590 nan 8.190 nan 0.000 0.431 318 A N 4.962 127.733 122.820 -0.081 0.000 2.290 318 A HA 0.857 5.177 4.320 -0.000 0.000 0.310 318 A C -0.755 176.658 177.584 -0.285 0.000 1.202 318 A CA -0.319 51.566 52.037 -0.252 0.000 0.837 318 A CB 0.321 19.195 19.000 -0.209 0.000 1.139 318 A HN 1.449 nan 8.150 nan 0.000 0.509 319 F N 0.509 120.219 119.950 -0.400 0.000 2.538 319 F HA 0.686 5.212 4.527 -0.000 0.000 0.325 319 F C -0.288 175.084 175.800 -0.713 0.000 1.066 319 F CA -1.612 56.101 58.000 -0.479 0.000 0.946 319 F CB 1.740 40.493 39.000 -0.412 0.000 1.199 319 F HN 0.512 nan 8.300 nan 0.000 0.473 320 N N 1.238 119.749 118.700 -0.316 0.000 2.675 320 N HA 0.135 4.875 4.740 -0.000 0.000 0.254 320 N C -1.602 173.814 175.510 -0.157 0.000 1.224 320 N CA -0.542 52.370 53.050 -0.231 0.000 0.777 320 N CB 0.254 38.677 38.487 -0.107 0.000 1.256 320 N HN 0.683 nan 8.380 nan 0.000 0.531 321 H N 1.128 120.250 119.070 0.086 0.000 2.742 321 H HA 0.158 4.714 4.556 -0.000 0.000 0.302 321 H C -0.473 174.703 175.328 -0.254 0.000 1.069 321 H CA 0.170 56.172 56.048 -0.077 0.000 1.446 321 H CB 1.601 31.430 29.762 0.111 0.000 1.462 321 H HN 0.253 nan 8.280 nan 0.000 0.499 322 S N 4.228 119.685 115.700 -0.405 0.000 2.647 322 S HA 0.495 4.965 4.470 -0.000 0.000 0.300 322 S C -1.172 173.083 174.600 -0.576 0.000 1.129 322 S CA -0.547 57.439 58.200 -0.356 0.000 1.029 322 S CB 0.302 63.409 63.200 -0.154 0.000 1.007 322 S HN 0.400 nan 8.310 nan 0.000 0.484 323 Y N 1.252 121.604 120.300 0.087 0.000 2.772 323 Y HA 0.387 4.937 4.550 -0.000 0.000 0.324 323 Y C 2.062 177.991 175.900 0.049 0.000 1.169 323 Y CA -0.371 57.761 58.100 0.053 0.000 1.198 323 Y CB 0.259 38.731 38.460 0.020 0.000 1.402 323 Y HN 0.647 nan 8.280 nan 0.000 0.577 324 S N -0.225 115.615 115.700 0.233 0.000 2.382 324 S HA -0.178 4.292 4.470 -0.000 0.000 0.228 324 S C 0.657 175.337 174.600 0.134 0.000 1.027 324 S CA 1.910 60.202 58.200 0.153 0.000 0.991 324 S CB -0.405 62.876 63.200 0.134 0.000 0.823 324 S HN 0.810 nan 8.310 nan 0.000 0.469 325 D N -0.667 119.815 120.400 0.136 0.000 2.527 325 D HA 0.438 5.078 4.640 -0.000 0.000 0.224 325 D C 0.255 176.640 176.300 0.141 0.000 1.217 325 D CA -0.016 54.055 54.000 0.118 0.000 0.819 325 D CB 0.344 41.199 40.800 0.092 0.000 1.061 325 D HN 0.351 nan 8.370 nan 0.000 0.515 326 S N -1.843 113.968 115.700 0.185 0.000 2.669 326 S HA 0.694 5.163 4.470 -0.000 0.000 0.266 326 S C -1.335 173.436 174.600 0.286 0.000 1.149 326 S CA -0.129 58.208 58.200 0.228 0.000 0.842 326 S CB 1.109 64.508 63.200 0.332 0.000 1.160 326 S HN 0.598 nan 8.310 nan 0.000 0.487 327 G N 0.129 109.112 108.800 0.304 0.000 2.495 327 G HA2 0.589 4.549 3.960 -0.000 0.000 0.294 327 G HA3 0.589 4.549 3.960 -0.000 0.000 0.294 327 G C -2.223 172.834 174.900 0.263 0.000 1.397 327 G CA -0.518 44.757 45.100 0.291 0.000 0.790 327 G HN 0.810 nan 8.290 nan 0.000 0.486 328 I N 0.028 120.768 120.570 0.284 0.000 2.533 328 I HA 0.519 4.689 4.170 -0.000 0.000 0.290 328 I C -1.541 174.793 176.117 0.363 0.000 1.056 328 I CA -0.604 60.872 61.300 0.294 0.000 1.057 328 I CB 2.386 40.563 38.000 0.296 0.000 1.240 328 I HN 0.413 nan 8.210 nan 0.000 0.423 329 F N 4.559 124.578 119.950 0.115 0.000 2.507 329 F HA 0.876 5.403 4.527 -0.000 0.000 0.325 329 F C 0.164 175.834 175.800 -0.217 0.000 1.116 329 F CA 0.003 57.960 58.000 -0.071 0.000 0.930 329 F CB 1.912 40.789 39.000 -0.206 0.000 1.146 329 F HN 0.559 nan 8.300 nan 0.000 0.447 330 G N 4.824 112.893 108.800 -1.218 0.000 2.348 330 G HA2 0.435 4.395 3.960 -0.000 0.000 0.296 330 G HA3 0.435 4.395 3.960 -0.000 0.000 0.296 330 G C -2.082 171.987 174.900 -1.386 0.000 1.258 330 G CA -0.796 43.689 45.100 -1.025 0.000 0.868 330 G HN 0.632 nan 8.290 nan 0.000 0.488 331 I N 0.641 120.814 120.570 -0.662 0.000 2.545 331 I HA 0.575 4.745 4.170 -0.000 0.000 0.292 331 I C -0.176 175.993 176.117 0.086 0.000 1.040 331 I CA -0.829 60.305 61.300 -0.277 0.000 1.068 331 I CB 2.288 40.236 38.000 -0.086 0.000 1.251 331 I HN 0.443 nan 8.210 nan 0.000 0.424 332 S N 6.313 122.130 115.700 0.195 0.000 2.501 332 S HA 0.725 5.195 4.470 -0.000 0.000 0.301 332 S C -1.199 173.487 174.600 0.144 0.000 1.096 332 S CA -0.545 57.805 58.200 0.250 0.000 1.063 332 S CB 1.220 64.588 63.200 0.280 0.000 1.042 332 S HN 0.470 nan 8.310 nan 0.000 0.494 333 L N 4.023 125.339 121.223 0.155 0.000 2.476 333 L HA 0.595 4.935 4.340 -0.000 0.000 0.269 333 L C -1.147 175.844 176.870 0.201 0.000 0.965 333 L CA -0.104 54.821 54.840 0.141 0.000 0.845 333 L CB 1.593 43.722 42.059 0.117 0.000 1.259 333 L HN 0.707 nan 8.230 nan 0.000 0.403 334 S N 4.104 119.917 115.700 0.189 0.000 2.472 334 S HA 0.856 5.326 4.470 -0.000 0.000 0.303 334 S C -0.281 174.398 174.600 0.131 0.000 1.099 334 S CA -0.478 57.845 58.200 0.206 0.000 1.077 334 S CB 1.337 64.706 63.200 0.282 0.000 1.031 334 S HN 0.871 nan 8.310 nan 0.000 0.487 335 C N 1.768 121.127 119.300 0.099 0.000 3.332 335 C HA 0.654 5.114 4.460 -0.000 0.000 0.329 335 C C -0.938 174.061 174.990 0.015 0.000 1.434 335 C CA -1.169 57.914 59.018 0.107 0.000 1.314 335 C CB -0.259 27.590 27.740 0.181 0.000 1.664 335 C HN 0.620 nan 8.230 nan 0.000 0.457 336 I N 2.306 122.890 120.570 0.022 0.000 2.692 336 I HA 0.211 4.381 4.170 -0.000 0.000 0.284 336 I C -1.110 174.822 176.117 -0.308 0.000 1.159 336 I CA -1.982 59.260 61.300 -0.098 0.000 1.423 336 I CB 0.238 38.230 38.000 -0.014 0.000 1.380 336 I HN 0.555 nan 8.210 nan 0.000 0.580 337 P HA -0.200 nan 4.420 nan 0.000 0.217 337 P C 1.254 178.160 177.300 -0.656 0.000 1.148 337 P CA 1.314 63.766 63.100 -1.080 0.000 0.834 337 P CB 0.273 31.317 31.700 -1.093 0.000 0.783 338 Q N -0.733 118.826 119.800 -0.403 0.000 2.124 338 Q HA -0.072 4.268 4.340 -0.000 0.000 0.202 338 Q C 2.191 177.990 176.000 -0.336 0.000 0.977 338 Q CA 1.931 57.553 55.803 -0.302 0.000 0.850 338 Q CB -1.402 27.211 28.738 -0.208 0.000 0.901 338 Q HN 0.215 nan 8.270 nan 0.000 0.429 339 A N -0.005 122.590 122.820 -0.375 0.000 2.123 339 A HA 0.197 4.517 4.320 -0.000 0.000 0.214 339 A C 2.163 179.526 177.584 -0.369 0.000 1.152 339 A CA 0.966 52.703 52.037 -0.501 0.000 0.728 339 A CB -0.651 17.968 19.000 -0.634 0.000 0.814 339 A HN 0.317 nan 8.150 nan 0.000 0.464 340 A N 1.199 123.803 122.820 -0.361 0.000 1.944 340 A HA -0.227 4.093 4.320 -0.000 0.000 0.222 340 A C 0.168 177.534 177.584 -0.362 0.000 1.237 340 A CA 2.465 54.227 52.037 -0.458 0.000 0.668 340 A CB -1.918 16.723 19.000 -0.598 0.000 0.830 340 A HN 0.469 nan 8.150 nan 0.000 0.471 341 P HA -0.134 nan 4.420 nan 0.000 0.221 341 P C 1.263 178.497 177.300 -0.110 0.000 1.145 341 P CA 1.441 64.445 63.100 -0.161 0.000 0.795 341 P CB -0.054 31.558 31.700 -0.147 0.000 0.775 342 Q N -1.464 118.238 119.800 -0.164 0.000 2.402 342 Q HA 0.145 4.485 4.340 -0.000 0.000 0.206 342 Q C 2.090 178.052 176.000 -0.064 0.000 0.919 342 Q CA 0.462 56.187 55.803 -0.129 0.000 0.923 342 Q CB -0.379 28.221 28.738 -0.230 0.000 1.048 342 Q HN 0.120 nan 8.270 nan 0.000 0.515 343 A N 1.019 123.829 122.820 -0.015 0.000 1.870 343 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 343 A C 2.281 179.908 177.584 0.071 0.000 1.224 343 A CA 2.118 54.206 52.037 0.085 0.000 0.650 343 A CB -1.189 17.967 19.000 0.260 0.000 0.836 343 A HN 0.209 nan 8.150 nan 0.000 0.454 344 V N -0.104 119.878 119.914 0.113 0.000 2.250 344 V HA -0.356 3.764 4.120 -0.000 0.000 0.250 344 V C 2.598 178.664 176.094 -0.047 0.000 1.060 344 V CA 2.746 65.076 62.300 0.050 0.000 1.030 344 V CB -0.893 30.972 31.823 0.070 0.000 0.643 344 V HN 0.807 nan 8.190 nan 0.000 0.445 345 E N -0.234 119.931 120.200 -0.058 0.000 2.085 345 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 345 E C 2.134 178.620 176.600 -0.190 0.000 0.994 345 E CA 1.869 58.183 56.400 -0.143 0.000 0.801 345 E CB -0.132 29.545 29.700 -0.038 0.000 0.743 345 E HN 0.408 nan 8.360 nan 0.000 0.453 346 V N 1.153 120.995 119.914 -0.120 0.000 2.282 346 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 346 V C 2.329 178.358 176.094 -0.109 0.000 1.057 346 V CA 2.012 64.238 62.300 -0.125 0.000 1.032 346 V CB -0.473 31.244 31.823 -0.178 0.000 0.645 346 V HN 0.359 nan 8.190 nan 0.000 0.447 347 I N 0.267 120.779 120.570 -0.097 0.000 2.163 347 I HA -0.196 3.974 4.170 -0.000 0.000 0.240 347 I C 2.759 178.788 176.117 -0.147 0.000 1.081 347 I CA 1.387 62.639 61.300 -0.079 0.000 1.353 347 I CB -0.816 37.166 38.000 -0.031 0.000 1.054 347 I HN 0.279 nan 8.210 nan 0.000 0.407 348 A N 0.457 123.133 122.820 -0.240 0.000 1.903 348 A HA -0.326 3.994 4.320 -0.000 0.000 0.219 348 A C 2.282 179.574 177.584 -0.486 0.000 1.191 348 A CA 2.090 53.883 52.037 -0.406 0.000 0.638 348 A CB -0.871 17.711 19.000 -0.698 0.000 0.823 348 A HN 0.499 nan 8.150 nan 0.000 0.451 349 Q N -1.343 118.142 119.800 -0.526 0.000 1.975 349 Q HA -0.250 4.090 4.340 -0.000 0.000 0.205 349 Q C 2.456 178.468 176.000 0.020 0.000 0.990 349 Q CA 1.711 57.407 55.803 -0.180 0.000 0.845 349 Q CB -0.265 28.446 28.738 -0.046 0.000 0.913 349 Q HN 0.639 nan 8.270 nan 0.000 0.420 350 Q N 0.084 119.884 119.800 -0.001 0.000 2.096 350 Q HA -0.220 4.120 4.340 -0.000 0.000 0.208 350 Q C 2.007 177.996 176.000 -0.019 0.000 0.993 350 Q CA 1.729 57.554 55.803 0.037 0.000 0.862 350 Q CB -0.472 28.276 28.738 0.016 0.000 0.915 350 Q HN 0.493 nan 8.270 nan 0.000 0.416 351 M N -1.109 118.390 119.600 -0.168 0.000 2.065 351 M HA -0.220 4.260 4.480 -0.000 0.000 0.259 351 M C 2.132 178.318 176.300 -0.190 0.000 1.069 351 M CA 1.728 56.708 55.300 -0.533 0.000 1.110 351 M CB -0.564 31.513 32.600 -0.871 0.000 1.328 351 M HN 0.179 nan 8.290 nan 0.000 0.405 352 Y N 1.780 121.998 120.300 -0.138 0.000 2.151 352 Y HA -0.285 4.265 4.550 -0.000 0.000 0.284 352 Y C 1.958 177.753 175.900 -0.175 0.000 1.166 352 Y CA 1.771 59.801 58.100 -0.116 0.000 1.163 352 Y CB -0.368 38.127 38.460 0.058 0.000 0.974 352 Y HN 0.292 nan 8.280 nan 0.000 0.511 353 N N -0.356 118.413 118.700 0.115 0.000 2.585 353 N HA -0.117 4.623 4.740 -0.000 0.000 0.188 353 N C 1.561 177.098 175.510 0.045 0.000 1.102 353 N CA 1.491 54.587 53.050 0.076 0.000 0.920 353 N CB -0.620 37.976 38.487 0.182 0.000 0.963 353 N HN 0.629 nan 8.380 nan 0.000 0.447 354 T N -2.891 111.735 114.554 0.120 0.000 3.081 354 T HA 0.060 4.410 4.350 -0.000 0.000 0.255 354 T C 1.207 176.082 174.700 0.291 0.000 1.113 354 T CA 0.336 62.572 62.100 0.227 0.000 1.082 354 T CB -0.161 68.913 68.868 0.343 0.000 0.939 354 T HN 0.318 nan 8.240 nan 0.000 0.506 355 F N -0.772 119.125 119.950 -0.089 0.000 2.440 355 F HA 0.708 5.235 4.527 -0.000 0.000 0.341 355 F C 1.839 177.510 175.800 -0.214 0.000 0.812 355 F CA -0.300 57.634 58.000 -0.111 0.000 1.031 355 F CB -0.308 38.651 39.000 -0.067 0.000 0.993 355 F HN 0.067 nan 8.300 nan 0.000 0.667 356 A N 0.683 122.469 122.820 -1.724 0.000 2.067 356 A HA 0.087 4.407 4.320 -0.000 0.000 0.217 356 A C 0.941 177.935 177.584 -0.983 0.000 1.156 356 A CA 0.834 51.960 52.037 -1.517 0.000 0.683 356 A CB -0.733 16.900 19.000 -2.278 0.000 0.808 356 A HN 0.409 nan 8.150 nan 0.000 0.455 357 N N 0.854 119.106 118.700 -0.746 0.000 2.420 357 N HA 0.067 4.807 4.740 -0.000 0.000 0.249 357 N C 0.767 176.201 175.510 -0.127 0.000 1.033 357 N CA 0.046 52.957 53.050 -0.232 0.000 0.944 357 N CB 1.007 39.494 38.487 -0.000 0.000 1.113 357 N HN 0.505 nan 8.380 nan 0.000 0.502 358 K N 2.150 122.505 120.400 -0.076 0.000 2.362 358 K HA -0.019 4.301 4.320 -0.000 0.000 0.200 358 K C -0.170 176.422 176.600 -0.013 0.000 1.046 358 K CA 1.050 57.311 56.287 -0.043 0.000 0.952 358 K CB 0.355 32.837 32.500 -0.030 0.000 0.753 358 K HN 0.345 nan 8.250 nan 0.000 0.466 359 D N 0.567 120.969 120.400 0.004 0.000 2.368 359 D HA 0.130 4.770 4.640 -0.000 0.000 0.218 359 D C 0.490 176.807 176.300 0.029 0.000 1.112 359 D CA 0.267 54.277 54.000 0.016 0.000 0.834 359 D CB 0.563 41.374 40.800 0.019 0.000 0.953 359 D HN 0.214 nan 8.370 nan 0.000 0.505 360 L N 0.471 121.713 121.223 0.032 0.000 3.483 360 L HA 0.194 4.534 4.340 -0.000 0.000 0.327 360 L C 0.282 177.181 176.870 0.049 0.000 1.318 360 L CA -0.457 54.420 54.840 0.061 0.000 0.979 360 L CB 0.962 43.081 42.059 0.099 0.000 1.404 360 L HN -0.269 nan 8.230 nan 0.000 0.615 361 R N 0.950 121.465 120.500 0.024 0.000 2.817 361 R HA 0.115 4.454 4.340 -0.000 0.000 0.264 361 R C -0.208 176.116 176.300 0.040 0.000 1.009 361 R CA 0.446 56.559 56.100 0.021 0.000 1.133 361 R CB 0.233 30.540 30.300 0.012 0.000 1.013 361 R HN 0.147 nan 8.270 nan 0.000 0.453 362 L N 2.613 123.862 121.223 0.044 0.000 2.410 362 L HA 0.138 4.478 4.340 -0.000 0.000 0.273 362 L C 0.980 177.871 176.870 0.035 0.000 1.144 362 L CA -0.126 54.742 54.840 0.047 0.000 0.863 362 L CB 0.540 42.629 42.059 0.049 0.000 1.140 362 L HN 0.773 nan 8.230 nan 0.000 0.463 363 T N -0.920 113.655 114.554 0.036 0.000 2.849 363 T HA 0.105 4.455 4.350 -0.000 0.000 0.284 363 T C 1.043 175.754 174.700 0.018 0.000 1.004 363 T CA -0.695 61.420 62.100 0.026 0.000 1.021 363 T CB 1.325 70.210 68.868 0.028 0.000 1.013 363 T HN 0.579 nan 8.240 nan 0.000 0.527 364 E N 0.848 121.055 120.200 0.011 0.000 2.077 364 E HA -0.140 4.210 4.350 -0.000 0.000 0.193 364 E C 1.746 178.347 176.600 0.001 0.000 0.989 364 E CA 1.427 57.830 56.400 0.005 0.000 0.800 364 E CB -0.136 29.564 29.700 0.000 0.000 0.746 364 E HN 0.708 nan 8.360 nan 0.000 0.452 365 D N 0.690 121.090 120.400 -0.001 0.000 2.097 365 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 365 D C 1.857 178.155 176.300 -0.003 0.000 0.984 365 D CA 0.845 54.839 54.000 -0.010 0.000 0.826 365 D CB -0.018 40.771 40.800 -0.018 0.000 0.973 365 D HN 0.312 nan 8.370 nan 0.000 0.460 366 E N 0.549 120.756 120.200 0.011 0.000 2.038 366 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 366 E C 2.395 179.008 176.600 0.023 0.000 1.000 366 E CA 0.777 57.191 56.400 0.023 0.000 0.803 366 E CB -0.020 29.701 29.700 0.034 0.000 0.750 366 E HN 0.057 nan 8.360 nan 0.000 0.448 367 V N 1.037 120.963 119.914 0.020 0.000 2.332 367 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 367 V C 2.501 178.602 176.094 0.013 0.000 1.055 367 V CA 1.981 64.292 62.300 0.019 0.000 1.038 367 V CB -0.483 31.349 31.823 0.015 0.000 0.651 367 V HN 0.289 nan 8.190 nan 0.000 0.450 368 S N -0.288 115.415 115.700 0.005 0.000 2.368 368 S HA -0.249 4.221 4.470 -0.000 0.000 0.224 368 S C 2.230 176.830 174.600 -0.001 0.000 1.029 368 S CA 1.855 60.054 58.200 -0.002 0.000 0.988 368 S CB -0.324 62.871 63.200 -0.009 0.000 0.838 368 S HN 0.562 nan 8.310 nan 0.000 0.462 369 R N 0.534 121.033 120.500 -0.001 0.000 2.081 369 R HA -0.032 4.308 4.340 -0.000 0.000 0.235 369 R C 2.431 178.741 176.300 0.017 0.000 1.131 369 R CA 1.388 57.489 56.100 0.001 0.000 0.960 369 R CB -0.811 29.487 30.300 -0.004 0.000 0.856 369 R HN 0.478 nan 8.270 nan 0.000 0.436 370 A N 1.546 124.382 122.820 0.026 0.000 1.859 370 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 370 A C 2.027 179.630 177.584 0.032 0.000 1.198 370 A CA 2.033 54.092 52.037 0.037 0.000 0.629 370 A CB -0.550 18.476 19.000 0.042 0.000 0.830 370 A HN 0.402 nan 8.150 nan 0.000 0.446 371 K N -0.363 120.050 120.400 0.023 0.000 2.059 371 K HA -0.189 4.131 4.320 -0.000 0.000 0.212 371 K C 1.826 178.433 176.600 0.011 0.000 1.050 371 K CA 1.621 57.918 56.287 0.016 0.000 0.927 371 K CB -0.306 32.195 32.500 0.003 0.000 0.714 371 K HN 0.450 nan 8.250 nan 0.000 0.447 372 N N 0.928 119.633 118.700 0.008 0.000 2.244 372 N HA -0.134 4.606 4.740 -0.000 0.000 0.183 372 N C 1.759 177.277 175.510 0.014 0.000 1.016 372 N CA 1.115 54.168 53.050 0.005 0.000 0.866 372 N CB 0.005 38.492 38.487 0.000 0.000 0.980 372 N HN 0.370 nan 8.380 nan 0.000 0.430 373 Q N 0.171 119.984 119.800 0.022 0.000 2.123 373 Q HA -0.058 4.282 4.340 -0.000 0.000 0.199 373 Q C 1.991 178.011 176.000 0.033 0.000 0.966 373 Q CA 0.537 56.357 55.803 0.029 0.000 0.845 373 Q CB -0.106 28.654 28.738 0.037 0.000 0.907 373 Q HN 0.194 nan 8.270 nan 0.000 0.439 374 L N 1.696 122.942 121.223 0.038 0.000 1.955 374 L HA -0.210 4.129 4.340 -0.000 0.000 0.213 374 L C 1.975 178.870 176.870 0.041 0.000 1.072 374 L CA 1.947 56.816 54.840 0.048 0.000 0.755 374 L CB -0.531 41.565 42.059 0.061 0.000 0.888 374 L HN -0.012 nan 8.230 nan 0.000 0.432 375 K N -0.785 119.630 120.400 0.026 0.000 2.059 375 K HA -0.235 4.085 4.320 -0.000 0.000 0.212 375 K C 2.335 178.945 176.600 0.016 0.000 1.050 375 K CA 1.827 58.121 56.287 0.012 0.000 0.927 375 K CB -0.562 31.935 32.500 -0.005 0.000 0.714 375 K HN 0.464 nan 8.250 nan 0.000 0.447 376 S N 0.820 116.530 115.700 0.018 0.000 2.343 376 S HA -0.175 4.295 4.470 -0.000 0.000 0.219 376 S C 2.205 176.819 174.600 0.024 0.000 1.033 376 S CA 1.991 60.202 58.200 0.018 0.000 1.014 376 S CB -0.361 62.850 63.200 0.018 0.000 0.915 376 S HN 0.482 nan 8.310 nan 0.000 0.435 377 S N 1.463 117.180 115.700 0.029 0.000 2.370 377 S HA -0.086 4.384 4.470 -0.000 0.000 0.226 377 S C 1.921 176.541 174.600 0.033 0.000 1.033 377 S CA 1.452 59.671 58.200 0.031 0.000 1.011 377 S CB -0.888 62.333 63.200 0.035 0.000 0.852 377 S HN 0.537 nan 8.310 nan 0.000 0.457 378 L N 0.761 122.007 121.223 0.038 0.000 1.937 378 L HA -0.048 4.292 4.340 -0.000 0.000 0.213 378 L C 2.810 179.699 176.870 0.032 0.000 1.077 378 L CA 1.637 56.501 54.840 0.041 0.000 0.758 378 L CB -0.896 41.195 42.059 0.053 0.000 0.888 378 L HN 0.307 nan 8.230 nan 0.000 0.433 379 L N -0.794 120.444 121.223 0.025 0.000 2.051 379 L HA -0.319 4.021 4.340 -0.000 0.000 0.214 379 L C 2.735 179.618 176.870 0.022 0.000 1.076 379 L CA 1.628 56.479 54.840 0.019 0.000 0.758 379 L CB -0.456 41.611 42.059 0.012 0.000 0.890 379 L HN 0.378 nan 8.230 nan 0.000 0.433 380 M N -1.153 118.461 119.600 0.023 0.000 2.213 380 M HA -0.213 4.267 4.480 -0.000 0.000 0.263 380 M C 1.998 178.315 176.300 0.029 0.000 1.062 380 M CA 1.643 56.959 55.300 0.025 0.000 1.105 380 M CB -0.581 32.034 32.600 0.024 0.000 1.385 380 M HN 0.364 nan 8.290 nan 0.000 0.417 381 N N 0.483 119.201 118.700 0.031 0.000 2.171 381 N HA -0.091 4.649 4.740 -0.000 0.000 0.184 381 N C 1.417 176.949 175.510 0.036 0.000 1.021 381 N CA 0.579 53.649 53.050 0.034 0.000 0.854 381 N CB 0.282 38.789 38.487 0.033 0.000 0.994 381 N HN 0.180 nan 8.380 nan 0.000 0.426 382 L N 1.862 123.104 121.223 0.032 0.000 2.642 382 L HA -0.064 4.276 4.340 -0.000 0.000 0.236 382 L C 1.549 178.438 176.870 0.033 0.000 1.169 382 L CA 1.291 56.150 54.840 0.031 0.000 0.851 382 L CB -1.009 41.065 42.059 0.024 0.000 0.968 382 L HN 0.262 nan 8.230 nan 0.000 0.453 383 E N -0.978 119.243 120.200 0.034 0.000 2.409 383 E HA -0.084 4.266 4.350 -0.000 0.000 0.198 383 E C 0.859 177.489 176.600 0.049 0.000 1.024 383 E CA 0.088 56.510 56.400 0.036 0.000 0.861 383 E CB 0.203 29.925 29.700 0.037 0.000 0.788 383 E HN 0.190 nan 8.360 nan 0.000 0.521 384 S N 0.344 116.079 115.700 0.058 0.000 2.452 384 S HA 0.130 4.600 4.470 -0.000 0.000 0.284 384 S C 0.783 175.437 174.600 0.091 0.000 1.171 384 S CA -0.545 57.705 58.200 0.084 0.000 1.064 384 S CB 1.025 64.273 63.200 0.080 0.000 0.967 384 S HN 0.014 nan 8.310 nan 0.000 0.484 385 K N 3.531 124.001 120.400 0.118 0.000 2.044 385 K HA -0.107 4.213 4.320 -0.000 0.000 0.210 385 K C 1.601 178.283 176.600 0.137 0.000 1.049 385 K CA 1.354 57.711 56.287 0.117 0.000 0.927 385 K CB -0.178 32.410 32.500 0.148 0.000 0.713 385 K HN 0.528 nan 8.250 nan 0.000 0.443 386 L N 0.553 121.869 121.223 0.155 0.000 2.046 386 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 386 L C 2.316 179.248 176.870 0.104 0.000 1.077 386 L CA 1.453 56.369 54.840 0.127 0.000 0.747 386 L CB -0.987 41.131 42.059 0.098 0.000 0.896 386 L HN 0.031 nan 8.230 nan 0.000 0.432 387 V N -0.281 119.684 119.914 0.085 0.000 2.358 387 V HA -0.259 3.861 4.120 -0.000 0.000 0.246 387 V C 2.562 178.690 176.094 0.057 0.000 1.047 387 V CA 1.601 63.941 62.300 0.066 0.000 1.035 387 V CB -0.458 31.397 31.823 0.053 0.000 0.658 387 V HN 0.495 nan 8.190 nan 0.000 0.452 388 E N 0.090 120.325 120.200 0.058 0.000 2.085 388 E HA -0.290 4.060 4.350 -0.000 0.000 0.194 388 E C 2.159 178.785 176.600 0.043 0.000 0.994 388 E CA 1.789 58.215 56.400 0.044 0.000 0.801 388 E CB -0.189 29.541 29.700 0.049 0.000 0.743 388 E HN 0.440 nan 8.360 nan 0.000 0.453 389 L N 1.636 122.905 121.223 0.077 0.000 1.955 389 L HA -0.235 4.105 4.340 -0.000 0.000 0.213 389 L C 2.423 179.316 176.870 0.038 0.000 1.072 389 L CA 2.612 57.508 54.840 0.093 0.000 0.755 389 L CB -0.798 41.355 42.059 0.157 0.000 0.888 389 L HN 0.272 nan 8.230 nan 0.000 0.432 390 E N -0.777 119.482 120.200 0.099 0.000 2.070 390 E HA -0.349 4.001 4.350 -0.000 0.000 0.197 390 E C 1.935 178.480 176.600 -0.090 0.000 1.004 390 E CA 1.845 58.289 56.400 0.073 0.000 0.805 390 E CB -0.308 29.478 29.700 0.144 0.000 0.744 390 E HN 0.743 nan 8.360 nan 0.000 0.451 391 D N -0.231 120.144 120.400 -0.043 0.000 2.123 391 D HA -0.234 4.406 4.640 -0.000 0.000 0.196 391 D C 2.186 178.410 176.300 -0.127 0.000 0.992 391 D CA 1.844 55.806 54.000 -0.064 0.000 0.833 391 D CB -0.139 40.646 40.800 -0.025 0.000 0.954 391 D HN 0.282 nan 8.370 nan 0.000 0.455 392 M N -0.374 119.148 119.600 -0.131 0.000 2.132 392 M HA -0.004 4.475 4.480 -0.000 0.000 0.263 392 M C 2.167 178.331 176.300 -0.227 0.000 1.065 392 M CA 1.976 57.188 55.300 -0.146 0.000 1.122 392 M CB -0.429 32.142 32.600 -0.048 0.000 1.365 392 M HN 0.159 nan 8.290 nan 0.000 0.411 393 G N 0.914 109.452 108.800 -0.436 0.000 2.514 393 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 393 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 393 G C 1.501 176.070 174.900 -0.551 0.000 1.198 393 G CA 1.076 45.676 45.100 -0.833 0.000 0.780 393 G HN 0.515 nan 8.290 nan 0.000 0.565 394 R N 0.017 120.249 120.500 -0.447 0.000 2.096 394 R HA -0.048 4.292 4.340 -0.000 0.000 0.235 394 R C 2.798 178.971 176.300 -0.211 0.000 1.127 394 R CA 1.384 57.357 56.100 -0.213 0.000 0.968 394 R CB -0.378 29.858 30.300 -0.106 0.000 0.861 394 R HN 0.461 nan 8.270 nan 0.000 0.440 395 Q N 0.283 119.940 119.800 -0.238 0.000 2.050 395 Q HA -0.121 4.219 4.340 -0.000 0.000 0.202 395 Q C 2.316 178.070 176.000 -0.409 0.000 0.980 395 Q CA 1.546 57.131 55.803 -0.363 0.000 0.840 395 Q CB -0.061 28.545 28.738 -0.219 0.000 0.898 395 Q HN 0.177 nan 8.270 nan 0.000 0.424 396 V N 1.136 120.928 119.914 -0.203 0.000 2.287 396 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 396 V C 2.238 178.278 176.094 -0.089 0.000 1.053 396 V CA 1.505 63.761 62.300 -0.073 0.000 1.027 396 V CB -0.531 31.319 31.823 0.045 0.000 0.646 396 V HN 0.318 nan 8.190 nan 0.000 0.447 397 L N -1.044 120.118 121.223 -0.102 0.000 2.127 397 L HA -0.208 4.132 4.340 -0.000 0.000 0.211 397 L C 2.173 179.002 176.870 -0.069 0.000 1.089 397 L CA 2.206 57.014 54.840 -0.053 0.000 0.757 397 L CB -0.426 41.619 42.059 -0.024 0.000 0.899 397 L HN 0.339 nan 8.230 nan 0.000 0.434 398 M N -1.776 117.725 119.600 -0.166 0.000 2.398 398 M HA -0.038 4.442 4.480 -0.000 0.000 0.261 398 M C 1.153 177.402 176.300 -0.084 0.000 1.125 398 M CA 1.147 56.366 55.300 -0.136 0.000 1.183 398 M CB -0.026 32.476 32.600 -0.164 0.000 1.322 398 M HN 0.455 nan 8.290 nan 0.000 0.467 399 H N -2.267 116.817 119.070 0.023 0.000 2.512 399 H HA 0.401 4.957 4.556 -0.000 0.000 0.276 399 H C 0.781 176.129 175.328 0.034 0.000 1.126 399 H CA 0.304 56.366 56.048 0.024 0.000 1.060 399 H CB -0.409 29.362 29.762 0.014 0.000 1.646 399 H HN 0.613 nan 8.280 nan 0.000 0.571 400 G N 2.540 111.359 108.800 0.033 0.000 2.321 400 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.287 400 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.287 400 G C 0.099 175.092 174.900 0.156 0.000 1.018 400 G CA 0.700 45.851 45.100 0.084 0.000 0.855 400 G HN 0.811 nan 8.290 nan 0.000 0.507 401 R N -2.078 118.521 120.500 0.164 0.000 2.663 401 R HA 0.707 5.046 4.340 -0.000 0.000 0.267 401 R C -1.070 175.231 176.300 0.002 0.000 1.038 401 R CA -1.257 54.953 56.100 0.183 0.000 0.886 401 R CB 1.278 31.689 30.300 0.184 0.000 1.249 401 R HN 0.111 nan 8.270 nan 0.000 0.463 402 K N 3.001 123.184 120.400 -0.362 0.000 2.367 402 K HA 0.312 4.631 4.320 -0.000 0.000 0.263 402 K C -0.594 175.823 176.600 -0.305 0.000 1.000 402 K CA -0.700 55.276 56.287 -0.519 0.000 0.891 402 K CB 1.299 33.084 32.500 -1.191 0.000 1.117 402 K HN 0.712 nan 8.250 nan 0.000 0.443 403 I N 7.373 127.886 120.570 -0.096 0.000 2.587 403 I HA 0.066 4.236 4.170 -0.000 0.000 0.284 403 I C -1.825 174.251 176.117 -0.068 0.000 1.134 403 I CA -1.566 59.708 61.300 -0.044 0.000 1.410 403 I CB 0.815 38.829 38.000 0.024 0.000 1.392 403 I HN 0.584 nan 8.210 nan 0.000 0.545 404 P HA -0.010 nan 4.420 nan 0.000 0.271 404 P C 0.932 178.215 177.300 -0.028 0.000 1.218 404 P CA -0.214 62.861 63.100 -0.043 0.000 0.780 404 P CB 1.116 32.805 31.700 -0.018 0.000 0.901 405 V N 2.816 122.715 119.914 -0.024 0.000 2.332 405 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 405 V C 2.303 178.376 176.094 -0.034 0.000 1.055 405 V CA 2.378 64.666 62.300 -0.021 0.000 1.038 405 V CB -1.738 30.077 31.823 -0.013 0.000 0.651 405 V HN 0.574 nan 8.190 nan 0.000 0.450 406 N N 0.135 118.818 118.700 -0.030 0.000 2.036 406 N HA -0.317 4.423 4.740 -0.000 0.000 0.199 406 N C 2.008 177.484 175.510 -0.057 0.000 1.036 406 N CA 1.872 54.900 53.050 -0.037 0.000 0.870 406 N CB -0.286 38.186 38.487 -0.025 0.000 1.055 406 N HN 0.631 nan 8.380 nan 0.000 0.436 407 E N 0.788 120.957 120.200 -0.051 0.000 2.085 407 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 407 E C 2.097 178.621 176.600 -0.125 0.000 0.994 407 E CA 1.037 57.398 56.400 -0.065 0.000 0.801 407 E CB -0.013 29.666 29.700 -0.034 0.000 0.743 407 E HN 0.351 nan 8.360 nan 0.000 0.453 408 M N 0.403 119.931 119.600 -0.119 0.000 2.059 408 M HA -0.178 4.302 4.480 -0.000 0.000 0.259 408 M C 2.171 178.267 176.300 -0.340 0.000 1.072 408 M CA 1.605 56.763 55.300 -0.235 0.000 1.117 408 M CB -0.162 32.405 32.600 -0.055 0.000 1.320 408 M HN 0.155 nan 8.290 nan 0.000 0.408 409 I N 0.003 120.466 120.570 -0.180 0.000 2.151 409 I HA -0.349 3.821 4.170 -0.000 0.000 0.243 409 I C 2.423 178.436 176.117 -0.172 0.000 1.080 409 I CA 1.593 62.803 61.300 -0.149 0.000 1.339 409 I CB -0.575 37.375 38.000 -0.083 0.000 1.039 409 I HN 0.402 nan 8.210 nan 0.000 0.409 410 S N 0.663 116.272 115.700 -0.153 0.000 2.365 410 S HA -0.269 4.201 4.470 -0.000 0.000 0.221 410 S C 1.915 176.414 174.600 -0.169 0.000 1.037 410 S CA 1.656 59.777 58.200 -0.131 0.000 1.060 410 S CB -0.322 62.818 63.200 -0.100 0.000 0.974 410 S HN 0.359 nan 8.310 nan 0.000 0.427 411 K N 0.515 120.764 120.400 -0.251 0.000 2.160 411 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 411 K C 1.943 178.384 176.600 -0.264 0.000 1.047 411 K CA 1.311 57.435 56.287 -0.272 0.000 0.930 411 K CB -0.364 31.891 32.500 -0.409 0.000 0.720 411 K HN 0.400 nan 8.250 nan 0.000 0.450 412 I N 0.747 121.117 120.570 -0.333 0.000 2.286 412 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 412 I C 2.006 178.067 176.117 -0.093 0.000 1.104 412 I CA 1.210 62.401 61.300 -0.183 0.000 1.397 412 I CB -0.249 37.653 38.000 -0.163 0.000 1.072 412 I HN 0.199 nan 8.210 nan 0.000 0.417 413 E N 0.887 121.030 120.200 -0.095 0.000 2.110 413 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 413 E C 1.306 177.878 176.600 -0.047 0.000 0.988 413 E CA 1.098 57.463 56.400 -0.059 0.000 0.804 413 E CB -0.109 29.556 29.700 -0.057 0.000 0.745 413 E HN 0.440 nan 8.360 nan 0.000 0.458 414 D N 0.545 120.911 120.400 -0.056 0.000 2.378 414 D HA -0.027 4.613 4.640 -0.000 0.000 0.222 414 D C 0.414 176.698 176.300 -0.026 0.000 0.980 414 D CA 0.462 54.439 54.000 -0.039 0.000 0.907 414 D CB -0.054 40.721 40.800 -0.041 0.000 0.899 414 D HN 0.126 nan 8.370 nan 0.000 0.527 415 L N 0.985 122.193 121.223 -0.025 0.000 2.455 415 L HA 0.063 4.403 4.340 -0.000 0.000 0.272 415 L C 0.605 177.470 176.870 -0.008 0.000 1.174 415 L CA 0.478 55.312 54.840 -0.010 0.000 0.869 415 L CB 0.478 42.538 42.059 0.000 0.000 1.130 415 L HN -0.306 nan 8.230 nan 0.000 0.474 416 K N 4.387 124.784 120.400 -0.005 0.000 2.259 416 K HA 0.338 4.658 4.320 -0.000 0.000 0.249 416 K C -1.764 174.835 176.600 -0.000 0.000 0.942 416 K CA -1.603 54.681 56.287 -0.004 0.000 0.816 416 K CB 1.792 34.289 32.500 -0.005 0.000 1.155 416 K HN 0.112 nan 8.250 nan 0.000 0.428 417 P HA -0.290 nan 4.420 nan 0.000 0.220 417 P C 0.179 177.483 177.300 0.007 0.000 1.155 417 P CA 1.501 64.606 63.100 0.008 0.000 0.880 417 P CB 0.208 31.914 31.700 0.010 0.000 0.790 418 D N -1.079 119.323 120.400 0.003 0.000 2.178 418 D HA -0.149 4.491 4.640 -0.000 0.000 0.201 418 D C 1.411 177.706 176.300 -0.008 0.000 0.980 418 D CA 1.006 55.007 54.000 0.002 0.000 0.842 418 D CB -0.402 40.398 40.800 -0.001 0.000 0.948 418 D HN 0.267 nan 8.370 nan 0.000 0.472 419 D N 1.030 121.424 120.400 -0.011 0.000 2.078 419 D HA -0.123 4.517 4.640 -0.000 0.000 0.193 419 D C 2.279 178.557 176.300 -0.036 0.000 0.990 419 D CA 0.454 54.442 54.000 -0.021 0.000 0.827 419 D CB -0.133 40.661 40.800 -0.011 0.000 0.975 419 D HN 0.164 nan 8.370 nan 0.000 0.451 420 I N 1.333 121.888 120.570 -0.024 0.000 2.248 420 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 420 I C 2.439 178.531 176.117 -0.041 0.000 1.107 420 I CA 0.995 62.275 61.300 -0.034 0.000 1.373 420 I CB -1.350 36.649 38.000 -0.002 0.000 1.055 420 I HN -0.122 nan 8.210 nan 0.000 0.418 421 S N 0.118 115.812 115.700 -0.010 0.000 2.368 421 S HA -0.158 4.312 4.470 -0.000 0.000 0.224 421 S C 2.133 176.713 174.600 -0.034 0.000 1.029 421 S CA 1.025 59.235 58.200 0.016 0.000 0.988 421 S CB -0.205 63.020 63.200 0.043 0.000 0.838 421 S HN 0.390 nan 8.310 nan 0.000 0.462 422 R N 0.917 121.384 120.500 -0.055 0.000 2.073 422 R HA -0.087 4.253 4.340 -0.000 0.000 0.234 422 R C 2.129 178.327 176.300 -0.171 0.000 1.134 422 R CA 1.507 57.554 56.100 -0.088 0.000 0.952 422 R CB -0.534 29.727 30.300 -0.065 0.000 0.850 422 R HN 0.260 nan 8.270 nan 0.000 0.433 423 V N 1.285 121.089 119.914 -0.184 0.000 2.255 423 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 423 V C 2.566 178.408 176.094 -0.420 0.000 1.051 423 V CA 2.040 64.169 62.300 -0.285 0.000 1.018 423 V CB -0.989 30.671 31.823 -0.271 0.000 0.641 423 V HN 0.565 nan 8.190 nan 0.000 0.445 424 A N -0.304 122.295 122.820 -0.370 0.000 1.903 424 A HA -0.361 3.959 4.320 -0.000 0.000 0.219 424 A C 2.311 179.525 177.584 -0.617 0.000 1.191 424 A CA 2.504 54.285 52.037 -0.426 0.000 0.638 424 A CB -0.682 18.271 19.000 -0.078 0.000 0.823 424 A HN 0.685 nan 8.150 nan 0.000 0.451 425 E N -0.808 118.993 120.200 -0.665 0.000 2.077 425 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 425 E C 2.061 178.276 176.600 -0.640 0.000 0.989 425 E CA 1.438 57.218 56.400 -1.033 0.000 0.800 425 E CB -0.245 29.169 29.700 -0.477 0.000 0.746 425 E HN 0.683 nan 8.360 nan 0.000 0.452 426 M N 0.589 119.922 119.600 -0.444 0.000 2.065 426 M HA -0.210 4.270 4.480 -0.000 0.000 0.259 426 M C 1.865 177.907 176.300 -0.429 0.000 1.069 426 M CA 1.635 56.722 55.300 -0.355 0.000 1.110 426 M CB -0.142 32.282 32.600 -0.294 0.000 1.328 426 M HN 0.158 nan 8.290 nan 0.000 0.405 427 I N 0.609 120.833 120.570 -0.577 0.000 2.076 427 I HA -0.273 3.897 4.170 -0.000 0.000 0.237 427 I C 2.228 177.943 176.117 -0.670 0.000 1.059 427 I CA 1.829 62.735 61.300 -0.658 0.000 1.317 427 I CB -1.888 35.514 38.000 -0.996 0.000 1.037 427 I HN 0.290 nan 8.210 nan 0.000 0.398 428 F N 1.083 120.644 119.950 -0.649 0.000 2.664 428 F HA -0.090 4.437 4.527 -0.000 0.000 0.297 428 F C 2.162 177.465 175.800 -0.830 0.000 1.164 428 F CA 0.780 58.260 58.000 -0.866 0.000 1.472 428 F CB -1.320 37.354 39.000 -0.544 0.000 1.108 428 F HN 0.067 nan 8.300 nan 0.000 0.596 429 T N -1.612 112.678 114.554 -0.439 0.000 3.054 429 T HA 0.300 4.650 4.350 -0.000 0.000 0.255 429 T C 1.554 176.135 174.700 -0.197 0.000 1.035 429 T CA 0.532 62.484 62.100 -0.245 0.000 0.941 429 T CB 0.131 68.901 68.868 -0.163 0.000 1.026 429 T HN 0.330 nan 8.240 nan 0.000 0.533 430 G N 2.746 111.387 108.800 -0.266 0.000 2.198 430 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.257 430 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.257 430 G C 0.269 175.118 174.900 -0.085 0.000 1.042 430 G CA -0.190 44.852 45.100 -0.096 0.000 0.791 430 G HN 0.463 nan 8.290 nan 0.000 0.502 431 N N -0.087 118.527 118.700 -0.143 0.000 2.453 431 N HA 0.275 5.015 4.740 -0.000 0.000 0.270 431 N C 0.236 175.672 175.510 -0.123 0.000 1.195 431 N CA 0.144 53.127 53.050 -0.110 0.000 0.902 431 N CB 0.910 39.328 38.487 -0.116 0.000 1.186 431 N HN 0.259 nan 8.380 nan 0.000 0.510 432 V N 1.109 120.945 119.914 -0.131 0.000 2.472 432 V HA 0.370 4.490 4.120 -0.000 0.000 0.290 432 V C 0.116 176.170 176.094 -0.068 0.000 1.037 432 V CA -0.840 61.380 62.300 -0.134 0.000 0.908 432 V CB 1.798 33.505 31.823 -0.193 0.000 0.985 432 V HN 0.150 nan 8.190 nan 0.000 0.454 433 N N 3.930 122.612 118.700 -0.030 0.000 2.626 433 N HA 0.394 5.134 4.740 -0.000 0.000 0.249 433 N C -0.987 174.546 175.510 0.038 0.000 1.021 433 N CA -0.399 52.656 53.050 0.009 0.000 0.886 433 N CB 1.375 39.870 38.487 0.014 0.000 1.149 433 N HN 0.619 nan 8.380 nan 0.000 0.517 434 N N 0.238 118.964 118.700 0.043 0.000 2.502 434 N HA 0.344 5.084 4.740 -0.000 0.000 0.280 434 N C 1.227 176.781 175.510 0.073 0.000 1.223 434 N CA -0.509 52.583 53.050 0.070 0.000 0.966 434 N CB 1.074 39.609 38.487 0.080 0.000 1.203 434 N HN 0.362 nan 8.380 nan 0.000 0.565 435 A N 0.637 123.503 122.820 0.077 0.000 1.903 435 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 435 A C 1.825 179.454 177.584 0.076 0.000 1.191 435 A CA 2.409 54.488 52.037 0.069 0.000 0.638 435 A CB -1.347 17.695 19.000 0.070 0.000 0.823 435 A HN 0.726 nan 8.150 nan 0.000 0.451 436 G N -1.201 107.657 108.800 0.097 0.000 2.708 436 G HA2 0.016 3.976 3.960 -0.000 0.000 0.210 436 G HA3 0.016 3.976 3.960 -0.000 0.000 0.210 436 G C 0.594 175.557 174.900 0.104 0.000 1.141 436 G CA 0.818 45.984 45.100 0.109 0.000 0.788 436 G HN 0.924 nan 8.290 nan 0.000 0.531 437 N N -0.650 118.104 118.700 0.089 0.000 2.642 437 N HA -0.089 4.651 4.740 -0.000 0.000 0.269 437 N C 0.625 176.196 175.510 0.102 0.000 1.073 437 N CA 0.728 53.825 53.050 0.078 0.000 0.748 437 N CB -1.120 37.406 38.487 0.063 0.000 0.894 437 N HN 0.423 nan 8.380 nan 0.000 0.548 438 G N 1.301 110.177 108.800 0.128 0.000 2.572 438 G HA2 0.372 4.332 3.960 -0.000 0.000 0.261 438 G HA3 0.372 4.332 3.960 -0.000 0.000 0.261 438 G C 0.201 175.210 174.900 0.182 0.000 1.197 438 G CA -0.637 44.582 45.100 0.199 0.000 0.870 438 G HN 0.350 nan 8.290 nan 0.000 0.548 439 K N -0.404 120.146 120.400 0.249 0.000 2.136 439 K HA 0.244 4.564 4.320 -0.000 0.000 0.237 439 K C 1.119 177.867 176.600 0.245 0.000 1.048 439 K CA 0.125 56.531 56.287 0.199 0.000 0.880 439 K CB 0.700 33.289 32.500 0.149 0.000 1.105 439 K HN 0.496 nan 8.250 nan 0.000 0.507 440 G N 0.254 109.171 108.800 0.196 0.000 3.575 440 G HA2 0.033 3.993 3.960 -0.000 0.000 0.273 440 G HA3 0.033 3.993 3.960 -0.000 0.000 0.273 440 G C 0.421 175.499 174.900 0.296 0.000 1.053 440 G CA -0.191 45.029 45.100 0.201 0.000 0.803 440 G HN 0.371 nan 8.290 nan 0.000 0.528 441 R N 0.390 121.066 120.500 0.294 0.000 2.615 441 R HA 0.611 4.950 4.340 -0.000 0.000 0.270 441 R C 0.205 176.674 176.300 0.282 0.000 1.081 441 R CA -0.093 56.148 56.100 0.234 0.000 1.154 441 R CB 0.639 30.998 30.300 0.098 0.000 1.063 441 R HN 0.093 nan 8.270 nan 0.000 0.519 442 A N 1.525 124.407 122.820 0.104 0.000 2.282 442 A HA 0.414 4.734 4.320 -0.000 0.000 0.319 442 A C -0.743 176.725 177.584 -0.193 0.000 1.121 442 A CA -0.498 51.374 52.037 -0.275 0.000 0.836 442 A CB 1.334 20.011 19.000 -0.538 0.000 1.146 442 A HN 0.709 nan 8.150 nan 0.000 0.494 443 T N 1.213 115.624 114.554 -0.238 0.000 2.758 443 T HA 0.523 4.873 4.350 -0.000 0.000 0.285 443 T C -0.792 173.820 174.700 -0.147 0.000 0.981 443 T CA -0.188 61.819 62.100 -0.155 0.000 0.965 443 T CB 0.815 69.625 68.868 -0.098 0.000 0.927 443 T HN 0.433 nan 8.240 nan 0.000 0.448 444 V N 4.325 124.161 119.914 -0.129 0.000 2.409 444 V HA 0.570 4.690 4.120 -0.000 0.000 0.290 444 V C -0.415 175.600 176.094 -0.131 0.000 1.017 444 V CA -0.750 61.476 62.300 -0.123 0.000 0.841 444 V CB 1.697 33.446 31.823 -0.122 0.000 1.003 444 V HN 0.652 nan 8.190 nan 0.000 0.426 445 V N 7.642 127.480 119.914 -0.127 0.000 2.680 445 V HA 0.821 4.941 4.120 -0.000 0.000 0.309 445 V C -0.503 175.479 176.094 -0.186 0.000 1.052 445 V CA -0.438 61.782 62.300 -0.133 0.000 0.908 445 V CB 1.878 33.646 31.823 -0.090 0.000 1.001 445 V HN 0.930 nan 8.190 nan 0.000 0.431 446 M N 4.462 123.924 119.600 -0.230 0.000 2.520 446 M HA 0.617 5.097 4.480 -0.000 0.000 0.283 446 M C -1.595 174.602 176.300 -0.173 0.000 1.237 446 M CA -0.753 54.357 55.300 -0.317 0.000 0.885 446 M CB 2.198 34.280 32.600 -0.862 0.000 1.727 446 M HN 0.623 nan 8.290 nan 0.000 0.468 447 Q N 0.934 120.700 119.800 -0.057 0.000 2.337 447 Q HA 0.774 5.114 4.340 -0.000 0.000 0.266 447 Q C -0.468 175.424 176.000 -0.181 0.000 1.023 447 Q CA 0.268 56.059 55.803 -0.019 0.000 0.829 447 Q CB 2.191 31.018 28.738 0.149 0.000 1.306 447 Q HN 1.175 nan 8.270 nan 0.000 0.449 448 G N 2.698 111.233 108.800 -0.441 0.000 2.315 448 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.296 448 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.296 448 G C -1.672 172.823 174.900 -0.674 0.000 1.289 448 G CA -0.580 43.695 45.100 -1.376 0.000 0.996 448 G HN 0.745 nan 8.290 nan 0.000 0.487 449 D N -0.574 119.474 120.400 -0.586 0.000 2.348 449 D HA 0.513 5.153 4.640 -0.000 0.000 0.253 449 D C 1.546 177.897 176.300 0.085 0.000 1.161 449 D CA -0.275 53.689 54.000 -0.060 0.000 0.876 449 D CB 1.266 42.134 40.800 0.113 0.000 1.160 449 D HN 0.610 nan 8.370 nan 0.000 0.459 450 R N 3.360 123.912 120.500 0.086 0.000 2.094 450 R HA -0.096 4.244 4.340 -0.000 0.000 0.239 450 R C 2.107 178.520 176.300 0.189 0.000 1.137 450 R CA 2.291 58.481 56.100 0.151 0.000 0.943 450 R CB -1.115 29.224 30.300 0.064 0.000 0.850 450 R HN 0.630 nan 8.270 nan 0.000 0.433 451 G N -0.687 108.179 108.800 0.109 0.000 2.505 451 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.220 451 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.220 451 G C 1.515 176.463 174.900 0.080 0.000 1.145 451 G CA 1.230 46.380 45.100 0.083 0.000 0.761 451 G HN 0.444 nan 8.290 nan 0.000 0.571 452 S N 0.374 116.110 115.700 0.060 0.000 2.444 452 S HA -0.130 4.340 4.470 -0.000 0.000 0.244 452 S C 1.711 176.190 174.600 -0.202 0.000 1.025 452 S CA 1.189 59.349 58.200 -0.067 0.000 0.995 452 S CB -0.337 62.846 63.200 -0.028 0.000 0.781 452 S HN 0.408 nan 8.310 nan 0.000 0.496 453 F N 0.969 120.955 119.950 0.059 0.000 2.776 453 F HA 0.326 4.853 4.527 -0.000 0.000 0.300 453 F C 1.756 177.567 175.800 0.019 0.000 1.116 453 F CA 0.348 58.371 58.000 0.039 0.000 1.375 453 F CB -0.379 38.639 39.000 0.032 0.000 1.109 453 F HN 0.324 nan 8.300 nan 0.000 0.585 454 G N 0.296 109.186 108.800 0.150 0.000 2.642 454 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.231 454 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.231 454 G C -0.610 174.348 174.900 0.096 0.000 1.338 454 G CA -0.302 44.853 45.100 0.092 0.000 0.883 454 G HN 0.182 nan 8.290 nan 0.000 0.570 455 D N 0.723 121.165 120.400 0.070 0.000 2.470 455 D HA 0.327 4.967 4.640 -0.000 0.000 0.226 455 D C 1.980 178.321 176.300 0.068 0.000 1.196 455 D CA 0.382 54.419 54.000 0.061 0.000 0.979 455 D CB 0.550 41.380 40.800 0.049 0.000 1.059 455 D HN 0.321 nan 8.370 nan 0.000 0.515 456 V N 3.650 123.605 119.914 0.069 0.000 2.287 456 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 456 V C 2.414 178.545 176.094 0.060 0.000 1.053 456 V CA 1.933 64.269 62.300 0.060 0.000 1.027 456 V CB -0.556 31.283 31.823 0.028 0.000 0.646 456 V HN 0.559 nan 8.190 nan 0.000 0.447 457 E N 0.439 120.671 120.200 0.054 0.000 2.077 457 E HA -0.277 4.072 4.350 -0.000 0.000 0.193 457 E C 2.070 178.721 176.600 0.084 0.000 0.989 457 E CA 1.681 58.121 56.400 0.067 0.000 0.800 457 E CB -0.169 29.564 29.700 0.054 0.000 0.746 457 E HN 0.624 nan 8.360 nan 0.000 0.452 458 N N -0.355 118.389 118.700 0.074 0.000 2.043 458 N HA -0.169 4.571 4.740 -0.000 0.000 0.193 458 N C 1.716 177.290 175.510 0.106 0.000 1.037 458 N CA 1.804 54.900 53.050 0.077 0.000 0.851 458 N CB -0.186 38.337 38.487 0.061 0.000 1.027 458 N HN 0.034 nan 8.380 nan 0.000 0.422 459 V N 0.895 120.878 119.914 0.114 0.000 2.392 459 V HA -0.223 3.897 4.120 -0.000 0.000 0.249 459 V C 2.296 178.523 176.094 0.222 0.000 1.059 459 V CA 1.361 63.760 62.300 0.165 0.000 1.051 459 V CB -0.591 31.299 31.823 0.111 0.000 0.658 459 V HN 0.337 nan 8.190 nan 0.000 0.455 460 L N -0.697 120.624 121.223 0.164 0.000 2.027 460 L HA -0.168 4.172 4.340 -0.000 0.000 0.206 460 L C 2.653 179.664 176.870 0.235 0.000 1.074 460 L CA 1.687 56.647 54.840 0.201 0.000 0.745 460 L CB -0.521 41.651 42.059 0.189 0.000 0.898 460 L HN 0.265 nan 8.230 nan 0.000 0.433 461 K N -0.092 120.415 120.400 0.179 0.000 2.097 461 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 461 K C 2.212 178.892 176.600 0.134 0.000 1.049 461 K CA 1.255 57.631 56.287 0.149 0.000 0.933 461 K CB -0.275 32.289 32.500 0.106 0.000 0.717 461 K HN 0.283 nan 8.250 nan 0.000 0.442 462 A N 0.892 123.790 122.820 0.130 0.000 1.903 462 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 462 A C 1.571 179.130 177.584 -0.042 0.000 1.191 462 A CA 1.566 53.625 52.037 0.035 0.000 0.638 462 A CB -0.871 18.156 19.000 0.044 0.000 0.823 462 A HN 0.345 nan 8.150 nan 0.000 0.451 463 Y N -0.250 120.049 120.300 -0.003 0.000 2.477 463 Y HA 0.330 4.880 4.550 -0.000 0.000 0.303 463 Y C 1.813 177.802 175.900 0.148 0.000 1.202 463 Y CA 0.137 58.229 58.100 -0.013 0.000 1.282 463 Y CB -0.562 37.885 38.460 -0.022 0.000 1.071 463 Y HN 0.492 nan 8.280 nan 0.000 0.510 464 G N 0.522 109.459 108.800 0.229 0.000 2.179 464 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.257 464 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.257 464 G C 0.039 175.086 174.900 0.246 0.000 1.010 464 G CA 0.100 45.329 45.100 0.215 0.000 0.736 464 G HN 0.314 nan 8.290 nan 0.000 0.513 465 L N -0.122 121.261 121.223 0.267 0.000 2.375 465 L HA 0.617 4.957 4.340 -0.000 0.000 0.271 465 L C 1.412 178.397 176.870 0.191 0.000 1.107 465 L CA 0.414 55.384 54.840 0.216 0.000 0.806 465 L CB 1.061 43.309 42.059 0.315 0.000 1.146 465 L HN 1.039 nan 8.230 nan 0.000 0.447 466 G N 2.383 111.177 108.800 -0.010 0.000 2.681 466 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.220 466 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.220 466 G C -1.049 173.910 174.900 0.099 0.000 1.353 466 G CA -0.216 44.990 45.100 0.176 0.000 0.872 466 G HN 0.858 nan 8.290 nan 0.000 0.557 467 N N -1.304 117.480 118.700 0.139 0.000 2.324 467 N HA 0.620 5.360 4.740 -0.000 0.000 0.285 467 N C -0.263 175.307 175.510 0.100 0.000 1.076 467 N CA 0.522 53.627 53.050 0.092 0.000 0.864 467 N CB 2.121 40.645 38.487 0.062 0.000 1.632 467 N HN 1.059 nan 8.380 nan 0.000 0.478 468 S N 0.000 115.748 115.700 0.079 0.000 2.498 468 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 468 S CA 0.000 58.242 58.200 0.071 0.000 1.107 468 S CB 0.000 63.239 63.200 0.065 0.000 0.593 468 S HN 0.000 nan 8.310 nan 0.000 0.517