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 2p88_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKITAIHLYA IRLPLRNPFV ISYGSYSDMP SIIVKMETDE GIIGYGEGVA DATA SEQUENCE DDHVTGESWE STFHTLKHTL TPALIGQNPM NIEKIHDMMD NTIYGVPTAK DATA SEQUENCE AAIDIACFDI MGKKLNQPVY QLIGGRYHEE FPVTHVLSIA DPENMAEEAA DATA SEQUENCE SMIQKGYQSF KMKVGTNVKE DVKRIEAVRE RVGNDIAIRV DVNQGWKNSA DATA SEQUENCE NTLTALRSLG HLNIDWIEQP VIADDIDAMA HIRSKTDLPL MIDEGLKSSR DATA SEQUENCE EMRQIIKLEA ADKVNIKLMK CGGIYPAVKL AHQAEMAGIE CQVGSMVESS DATA SEQUENCE VASSAGFHVA FSKKIITSVE LTGPLKFTKD IGNLHYDVPF IRLNEKPGLG DATA SEQUENCE IEINEDTLQE LTVFQDIVR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.272 176.300 -0.047 0.000 1.140 1 M CA 0.000 55.275 55.300 -0.043 0.000 0.988 1 M CB 0.000 32.570 32.600 -0.050 0.000 1.302 2 K N 3.417 123.790 120.400 -0.046 0.000 2.464 2 K HA 0.616 4.936 4.320 -0.000 0.000 0.253 2 K C -1.359 175.209 176.600 -0.054 0.000 0.933 2 K CA -0.723 55.534 56.287 -0.049 0.000 0.801 2 K CB 2.644 35.118 32.500 -0.042 0.000 1.271 2 K HN 0.597 nan 8.250 nan 0.000 0.430 3 I N 2.601 123.134 120.570 -0.062 0.000 2.471 3 I HA -0.031 4.139 4.170 -0.000 0.000 0.286 3 I C 1.491 177.569 176.117 -0.064 0.000 1.079 3 I CA 0.263 61.522 61.300 -0.067 0.000 1.398 3 I CB 1.033 38.986 38.000 -0.079 0.000 1.403 3 I HN 0.861 nan 8.210 nan 0.000 0.530 4 T N 2.114 116.631 114.554 -0.061 0.000 3.034 4 T HA 0.471 4.821 4.350 -0.000 0.000 0.248 4 T C 0.458 175.109 174.700 -0.082 0.000 1.040 4 T CA 0.146 62.210 62.100 -0.060 0.000 1.107 4 T CB 0.516 69.357 68.868 -0.044 0.000 0.932 4 T HN 0.654 nan 8.240 nan 0.000 0.474 5 A N 0.300 123.061 122.820 -0.098 0.000 2.608 5 A HA 0.735 5.055 4.320 -0.000 0.000 0.292 5 A C -1.884 175.594 177.584 -0.177 0.000 1.066 5 A CA -0.987 50.952 52.037 -0.163 0.000 0.676 5 A CB 1.029 19.909 19.000 -0.201 0.000 1.277 5 A HN 0.383 nan 8.150 nan 0.000 0.413 6 I N 2.423 122.838 120.570 -0.258 0.000 2.512 6 I HA 0.321 4.491 4.170 -0.000 0.000 0.287 6 I C -0.829 175.101 176.117 -0.312 0.000 1.069 6 I CA -0.444 60.731 61.300 -0.208 0.000 1.056 6 I CB 1.892 39.791 38.000 -0.167 0.000 1.229 6 I HN 0.661 nan 8.210 nan 0.000 0.429 7 H N 6.315 125.281 119.070 -0.173 0.000 2.473 7 H HA 0.468 5.024 4.556 -0.000 0.000 0.327 7 H C -0.882 174.220 175.328 -0.377 0.000 1.105 7 H CA -0.679 55.189 56.048 -0.299 0.000 1.280 7 H CB 2.308 31.904 29.762 -0.278 0.000 1.450 7 H HN 0.170 nan 8.280 nan 0.000 0.492 8 L N 4.278 125.279 121.223 -0.369 0.000 2.325 8 L HA 0.273 4.613 4.340 -0.000 0.000 0.281 8 L C -0.788 175.940 176.870 -0.235 0.000 1.004 8 L CA -0.667 54.038 54.840 -0.225 0.000 0.823 8 L CB 0.569 42.456 42.059 -0.287 0.000 1.236 8 L HN 0.584 nan 8.230 nan 0.000 0.415 9 Y N 1.416 121.804 120.300 0.147 0.000 2.326 9 Y HA 0.607 5.157 4.550 -0.000 0.000 0.331 9 Y C 0.531 176.407 175.900 -0.040 0.000 0.962 9 Y CA -0.867 57.265 58.100 0.054 0.000 1.167 9 Y CB 1.854 40.346 38.460 0.053 0.000 1.148 9 Y HN 0.654 nan 8.280 nan 0.000 0.463 10 A N 6.148 128.818 122.820 -0.250 0.000 2.391 10 A HA 0.610 4.930 4.320 -0.000 0.000 0.316 10 A C 0.021 177.597 177.584 -0.014 0.000 1.381 10 A CA -0.424 51.334 52.037 -0.464 0.000 0.998 10 A CB -0.811 16.922 19.000 -2.111 0.000 1.147 10 A HN 0.831 nan 8.150 nan 0.000 0.545 11 I N -0.796 119.911 120.570 0.228 0.000 3.205 11 I HA 0.812 4.982 4.170 -0.000 0.000 0.310 11 I C -0.229 175.888 176.117 -0.001 0.000 1.089 11 I CA -1.407 59.959 61.300 0.111 0.000 1.023 11 I CB 1.779 39.789 38.000 0.016 0.000 1.269 11 I HN 0.434 nan 8.210 nan 0.000 0.512 12 R N 2.383 122.806 120.500 -0.127 0.000 2.502 12 R HA 0.534 4.873 4.340 -0.000 0.000 0.298 12 R C -1.657 174.490 176.300 -0.256 0.000 1.018 12 R CA -0.653 55.292 56.100 -0.257 0.000 0.899 12 R CB 2.031 32.179 30.300 -0.253 0.000 1.181 12 R HN 0.580 nan 8.270 nan 0.000 0.444 13 L N 5.376 126.373 121.223 -0.375 0.000 2.278 13 L HA 0.360 4.699 4.340 -0.000 0.000 0.287 13 L C -1.854 174.818 176.870 -0.329 0.000 1.072 13 L CA -1.865 52.629 54.840 -0.576 0.000 0.819 13 L CB 0.793 42.045 42.059 -1.344 0.000 1.176 13 L HN 0.261 nan 8.230 nan 0.000 0.435 14 P HA 0.130 nan 4.420 nan 0.000 0.271 14 P C -0.862 176.547 177.300 0.181 0.000 1.220 14 P CA -0.100 63.006 63.100 0.010 0.000 0.768 14 P CB 1.085 32.784 31.700 -0.002 0.000 0.848 15 L N 3.942 125.274 121.223 0.183 0.000 2.309 15 L HA 0.392 4.732 4.340 -0.000 0.000 0.282 15 L C 2.255 179.187 176.870 0.103 0.000 1.036 15 L CA -0.689 54.265 54.840 0.189 0.000 0.806 15 L CB 1.612 43.768 42.059 0.162 0.000 1.220 15 L HN 0.391 nan 8.230 nan 0.000 0.429 16 R N 2.037 122.580 120.500 0.072 0.000 2.105 16 R HA -0.074 4.266 4.340 -0.000 0.000 0.239 16 R C -0.219 176.111 176.300 0.049 0.000 1.135 16 R CA 1.380 57.509 56.100 0.049 0.000 0.967 16 R CB 0.189 30.507 30.300 0.029 0.000 0.861 16 R HN 0.729 nan 8.270 nan 0.000 0.442 17 N N -1.011 117.723 118.700 0.057 0.000 2.329 17 N HA 0.314 5.054 4.740 -0.000 0.000 0.282 17 N C -2.885 172.683 175.510 0.097 0.000 1.198 17 N CA -1.584 51.505 53.050 0.065 0.000 0.790 17 N CB 2.044 40.566 38.487 0.058 0.000 1.579 17 N HN -0.143 nan 8.380 nan 0.000 0.475 18 P HA 0.046 nan 4.420 nan 0.000 0.267 18 P C -1.176 176.228 177.300 0.173 0.000 1.209 18 P CA 0.072 63.246 63.100 0.123 0.000 0.763 18 P CB 0.152 31.891 31.700 0.064 0.000 0.816 19 F N 5.622 125.615 119.950 0.072 0.000 2.413 19 F HA 0.292 4.819 4.527 -0.000 0.000 0.359 19 F C -0.578 175.277 175.800 0.092 0.000 1.122 19 F CA -0.571 57.465 58.000 0.060 0.000 1.160 19 F CB 0.398 39.433 39.000 0.058 0.000 1.146 19 F HN -0.010 nan 8.300 nan 0.000 0.514 20 V N 8.443 128.109 119.914 -0.413 0.000 2.417 20 V HA 0.497 4.617 4.120 -0.000 0.000 0.291 20 V C 0.276 176.023 176.094 -0.578 0.000 1.024 20 V CA -0.630 61.434 62.300 -0.393 0.000 0.861 20 V CB 1.063 32.752 31.823 -0.224 0.000 0.985 20 V HN 0.718 nan 8.190 nan 0.000 0.436 21 I N 1.119 121.384 120.570 -0.509 0.000 3.457 21 I HA 0.592 4.762 4.170 -0.000 0.000 0.307 21 I C 1.332 177.186 176.117 -0.438 0.000 1.138 21 I CA -0.573 60.413 61.300 -0.523 0.000 0.974 21 I CB 1.732 39.356 38.000 -0.627 0.000 1.324 21 I HN 0.402 nan 8.210 nan 0.000 0.485 22 S N 0.495 115.927 115.700 -0.448 0.000 2.365 22 S HA -0.211 4.259 4.470 -0.000 0.000 0.225 22 S C 1.282 175.739 174.600 -0.239 0.000 1.039 22 S CA 2.203 60.223 58.200 -0.300 0.000 1.033 22 S CB -0.615 62.454 63.200 -0.218 0.000 0.887 22 S HN 0.742 nan 8.310 nan 0.000 0.447 23 Y N -0.272 119.927 120.300 -0.169 0.000 2.708 23 Y HA 0.699 5.249 4.550 -0.000 0.000 0.287 23 Y C 0.404 176.095 175.900 -0.349 0.000 1.145 23 Y CA -0.754 57.193 58.100 -0.255 0.000 1.249 23 Y CB -0.347 37.918 38.460 -0.325 0.000 1.152 23 Y HN 0.243 nan 8.280 nan 0.000 0.532 24 G N -0.647 108.003 108.800 -0.250 0.000 2.347 24 G HA2 0.338 4.298 3.960 -0.000 0.000 0.303 24 G HA3 0.338 4.298 3.960 -0.000 0.000 0.303 24 G C -1.916 172.761 174.900 -0.372 0.000 1.481 24 G CA -0.684 44.248 45.100 -0.281 0.000 0.914 24 G HN 0.237 nan 8.290 nan 0.000 0.638 25 S N -0.724 114.729 115.700 -0.412 0.000 2.482 25 S HA 0.824 5.294 4.470 -0.000 0.000 0.303 25 S C -1.424 172.929 174.600 -0.412 0.000 1.091 25 S CA -0.584 57.436 58.200 -0.299 0.000 1.057 25 S CB 0.885 63.990 63.200 -0.158 0.000 1.031 25 S HN 0.548 nan 8.310 nan 0.000 0.485 26 Y N 2.118 122.461 120.300 0.072 0.000 2.331 26 Y HA 0.301 4.851 4.550 -0.000 0.000 0.334 26 Y C 1.371 177.331 175.900 0.100 0.000 0.960 26 Y CA -0.709 57.461 58.100 0.116 0.000 1.130 26 Y CB 2.004 40.586 38.460 0.203 0.000 1.164 26 Y HN 0.758 nan 8.280 nan 0.000 0.458 27 S N -0.207 115.605 115.700 0.186 0.000 2.486 27 S HA 0.076 4.546 4.470 -0.000 0.000 0.220 27 S C 0.124 174.800 174.600 0.128 0.000 1.011 27 S CA 0.727 59.002 58.200 0.124 0.000 0.921 27 S CB 0.005 63.245 63.200 0.067 0.000 0.785 27 S HN 0.780 nan 8.310 nan 0.000 0.517 28 D N -0.355 120.132 120.400 0.145 0.000 2.768 28 D HA 0.494 5.134 4.640 -0.000 0.000 0.327 28 D C -1.370 174.985 176.300 0.092 0.000 1.302 28 D CA -0.690 53.369 54.000 0.099 0.000 0.897 28 D CB 0.772 41.576 40.800 0.007 0.000 1.420 28 D HN 0.109 nan 8.370 nan 0.000 0.494 29 M N 0.291 119.888 119.600 -0.004 0.000 2.090 29 M HA 0.467 4.947 4.480 -0.000 0.000 0.277 29 M C -2.922 173.234 176.300 -0.239 0.000 0.935 29 M CA -1.657 53.606 55.300 -0.062 0.000 0.966 29 M CB 2.158 34.802 32.600 0.074 0.000 1.635 29 M HN 0.040 nan 8.290 nan 0.000 0.446 30 P HA 0.324 nan 4.420 nan 0.000 0.271 30 P C -1.265 175.825 177.300 -0.351 0.000 1.216 30 P CA -0.138 62.497 63.100 -0.776 0.000 0.776 30 P CB 1.053 32.020 31.700 -1.222 0.000 0.881 31 S N 2.470 118.102 115.700 -0.114 0.000 2.550 31 S HA 0.628 5.098 4.470 -0.000 0.000 0.270 31 S C -1.635 173.188 174.600 0.370 0.000 1.145 31 S CA -0.678 57.618 58.200 0.161 0.000 0.852 31 S CB 0.633 63.845 63.200 0.020 0.000 1.119 31 S HN 0.109 nan 8.310 nan 0.000 0.465 32 I N 4.162 124.905 120.570 0.287 0.000 2.378 32 I HA 0.485 4.655 4.170 -0.000 0.000 0.291 32 I C -0.630 175.604 176.117 0.196 0.000 0.992 32 I CA -0.698 60.747 61.300 0.241 0.000 1.154 32 I CB 1.414 39.538 38.000 0.205 0.000 1.315 32 I HN 0.567 nan 8.210 nan 0.000 0.448 33 I N 6.902 127.612 120.570 0.233 0.000 2.493 33 I HA 0.461 4.631 4.170 -0.000 0.000 0.298 33 I C 0.068 176.376 176.117 0.318 0.000 0.998 33 I CA -0.874 60.582 61.300 0.261 0.000 1.137 33 I CB 1.996 40.150 38.000 0.256 0.000 1.310 33 I HN 0.273 nan 8.210 nan 0.000 0.445 34 V N 3.215 123.276 119.914 0.245 0.000 2.604 34 V HA 0.628 4.748 4.120 -0.000 0.000 0.305 34 V C -0.580 175.587 176.094 0.121 0.000 1.043 34 V CA -0.796 61.604 62.300 0.166 0.000 0.888 34 V CB 2.105 33.960 31.823 0.052 0.000 0.995 34 V HN 0.838 nan 8.190 nan 0.000 0.429 35 K N 5.073 125.529 120.400 0.093 0.000 2.394 35 K HA 0.590 4.910 4.320 -0.000 0.000 0.260 35 K C -1.135 175.429 176.600 -0.060 0.000 0.967 35 K CA -0.716 55.473 56.287 -0.164 0.000 0.855 35 K CB 1.768 34.206 32.500 -0.103 0.000 1.101 35 K HN 0.997 nan 8.250 nan 0.000 0.433 36 M N 4.192 123.705 119.600 -0.145 0.000 2.129 36 M HA 0.238 4.718 4.480 -0.000 0.000 0.348 36 M C -1.006 175.249 176.300 -0.075 0.000 1.116 36 M CA -0.192 55.057 55.300 -0.085 0.000 1.022 36 M CB 1.047 33.595 32.600 -0.087 0.000 1.599 36 M HN 0.519 nan 8.290 nan 0.000 0.449 37 E N 2.612 122.791 120.200 -0.036 0.000 2.204 37 E HA 0.468 4.818 4.350 -0.000 0.000 0.276 37 E C -0.623 175.953 176.600 -0.040 0.000 0.974 37 E CA -0.600 55.786 56.400 -0.023 0.000 0.815 37 E CB 1.761 31.474 29.700 0.022 0.000 1.119 37 E HN 0.678 nan 8.360 nan 0.000 0.393 38 T N -1.705 112.828 114.554 -0.035 0.000 2.924 38 T HA 0.141 4.491 4.350 -0.000 0.000 0.291 38 T C 0.646 175.328 174.700 -0.029 0.000 1.045 38 T CA -0.894 61.182 62.100 -0.039 0.000 1.015 38 T CB 1.294 70.136 68.868 -0.043 0.000 1.103 38 T HN 0.460 nan 8.240 nan 0.000 0.496 39 D N 0.033 120.415 120.400 -0.031 0.000 2.351 39 D HA -0.129 4.511 4.640 -0.000 0.000 0.216 39 D C 0.938 177.226 176.300 -0.020 0.000 0.968 39 D CA 0.837 54.822 54.000 -0.024 0.000 0.899 39 D CB -0.233 40.551 40.800 -0.026 0.000 0.907 39 D HN 0.831 nan 8.370 nan 0.000 0.514 40 E N -0.499 119.688 120.200 -0.022 0.000 2.444 40 E HA 0.275 4.624 4.350 -0.000 0.000 0.191 40 E C 1.216 177.808 176.600 -0.013 0.000 1.041 40 E CA 0.197 56.587 56.400 -0.018 0.000 0.883 40 E CB 0.173 29.860 29.700 -0.021 0.000 1.024 40 E HN 0.437 nan 8.360 nan 0.000 0.470 41 G N 1.822 110.615 108.800 -0.012 0.000 2.212 41 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.266 41 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.266 41 G C 0.402 175.298 174.900 -0.007 0.000 0.978 41 G CA 0.165 45.262 45.100 -0.007 0.000 0.632 41 G HN 0.297 nan 8.290 nan 0.000 0.537 42 I N 2.249 122.811 120.570 -0.013 0.000 2.496 42 I HA 0.452 4.622 4.170 -0.000 0.000 0.285 42 I C 1.016 177.119 176.117 -0.023 0.000 1.080 42 I CA -0.455 60.837 61.300 -0.013 0.000 1.404 42 I CB 0.808 38.798 38.000 -0.018 0.000 1.403 42 I HN 0.352 nan 8.210 nan 0.000 0.539 43 I N 2.632 123.191 120.570 -0.019 0.000 2.603 43 I HA 0.916 5.086 4.170 -0.000 0.000 0.300 43 I C -0.165 175.916 176.117 -0.060 0.000 1.017 43 I CA -0.508 60.755 61.300 -0.061 0.000 1.098 43 I CB 2.077 40.025 38.000 -0.086 0.000 1.279 43 I HN 0.546 nan 8.210 nan 0.000 0.437 44 G N 4.089 112.812 108.800 -0.129 0.000 2.524 44 G HA2 0.647 4.607 3.960 -0.000 0.000 0.310 44 G HA3 0.647 4.607 3.960 -0.000 0.000 0.310 44 G C -2.052 172.737 174.900 -0.186 0.000 1.279 44 G CA -0.565 44.497 45.100 -0.064 0.000 0.974 44 G HN 0.578 nan 8.290 nan 0.000 0.484 45 Y N -0.136 120.185 120.300 0.035 0.000 2.377 45 Y HA 0.674 5.224 4.550 -0.000 0.000 0.339 45 Y C 0.827 176.760 175.900 0.055 0.000 1.011 45 Y CA -0.137 57.991 58.100 0.048 0.000 1.093 45 Y CB 2.685 41.163 38.460 0.031 0.000 1.201 45 Y HN 0.777 nan 8.280 nan 0.000 0.455 46 G N 1.277 110.196 108.800 0.197 0.000 2.658 46 G HA2 0.635 4.595 3.960 -0.000 0.000 0.292 46 G HA3 0.635 4.595 3.960 -0.000 0.000 0.292 46 G C -1.907 173.084 174.900 0.152 0.000 1.320 46 G CA -0.777 44.412 45.100 0.147 0.000 0.933 46 G HN 0.520 nan 8.290 nan 0.000 0.476 47 E N -0.971 119.303 120.200 0.124 0.000 2.366 47 E HA 0.599 4.949 4.350 -0.000 0.000 0.278 47 E C -0.957 175.704 176.600 0.102 0.000 0.923 47 E CA -1.044 55.426 56.400 0.118 0.000 0.761 47 E CB 2.143 31.907 29.700 0.106 0.000 1.231 47 E HN 0.832 nan 8.360 nan 0.000 0.443 48 G N 1.774 110.640 108.800 0.111 0.000 2.737 48 G HA2 0.462 4.422 3.960 -0.000 0.000 0.290 48 G HA3 0.462 4.422 3.960 -0.000 0.000 0.290 48 G C -1.559 173.417 174.900 0.127 0.000 1.482 48 G CA -0.427 44.738 45.100 0.107 0.000 1.017 48 G HN 0.331 nan 8.290 nan 0.000 0.529 49 V N 3.160 123.135 119.914 0.102 0.000 2.326 49 V HA 0.795 4.915 4.120 -0.000 0.000 0.281 49 V C 0.322 176.474 176.094 0.096 0.000 1.015 49 V CA -0.450 61.910 62.300 0.099 0.000 0.823 49 V CB 0.690 32.548 31.823 0.058 0.000 1.009 49 V HN 1.122 nan 8.190 nan 0.000 0.436 50 A N 4.850 127.751 122.820 0.134 0.000 2.354 50 A HA 0.610 4.930 4.320 -0.000 0.000 0.269 50 A C -0.161 177.493 177.584 0.116 0.000 1.109 50 A CA -0.314 51.799 52.037 0.128 0.000 0.800 50 A CB 0.704 19.803 19.000 0.164 0.000 1.045 50 A HN 0.877 nan 8.150 nan 0.000 0.489 51 D N 1.688 122.151 120.400 0.105 0.000 2.454 51 D HA 0.243 4.883 4.640 -0.000 0.000 0.247 51 D C -0.184 176.160 176.300 0.074 0.000 1.129 51 D CA -0.399 53.681 54.000 0.134 0.000 0.877 51 D CB 0.882 41.778 40.800 0.161 0.000 1.082 51 D HN 0.429 nan 8.370 nan 0.000 0.537 52 D N 1.438 121.841 120.400 0.005 0.000 2.172 52 D HA -0.205 4.435 4.640 -0.000 0.000 0.196 52 D C 1.166 177.339 176.300 -0.212 0.000 0.999 52 D CA 1.510 55.430 54.000 -0.134 0.000 0.856 52 D CB -0.182 40.464 40.800 -0.257 0.000 0.934 52 D HN 0.642 nan 8.370 nan 0.000 0.453 53 H N -1.172 117.883 119.070 -0.024 0.000 2.547 53 H HA 0.114 4.670 4.556 -0.000 0.000 0.272 53 H C 1.658 176.855 175.328 -0.219 0.000 0.989 53 H CA 0.324 56.243 56.048 -0.215 0.000 1.214 53 H CB 0.454 29.865 29.762 -0.584 0.000 1.389 53 H HN 0.037 nan 8.280 nan 0.000 0.577 54 V N -0.831 119.080 119.914 -0.004 0.000 2.743 54 V HA -0.052 4.068 4.120 -0.000 0.000 0.237 54 V C 2.040 178.143 176.094 0.015 0.000 1.113 54 V CA 1.554 63.858 62.300 0.007 0.000 1.141 54 V CB 0.277 32.134 31.823 0.058 0.000 0.873 54 V HN 0.549 nan 8.190 nan 0.000 0.486 55 T N -2.486 112.083 114.554 0.025 0.000 3.044 55 T HA 0.348 4.698 4.350 -0.000 0.000 0.260 55 T C 1.427 176.144 174.700 0.028 0.000 1.019 55 T CA 0.724 62.840 62.100 0.027 0.000 0.921 55 T CB 0.652 69.540 68.868 0.033 0.000 1.053 55 T HN 1.046 nan 8.240 nan 0.000 0.533 56 G N 1.227 110.037 108.800 0.016 0.000 2.198 56 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.260 56 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.260 56 G C -0.369 174.553 174.900 0.038 0.000 1.025 56 G CA 0.199 45.309 45.100 0.017 0.000 0.769 56 G HN 0.678 nan 8.290 nan 0.000 0.507 57 E N -0.154 120.076 120.200 0.049 0.000 2.212 57 E HA 0.652 5.002 4.350 -0.000 0.000 0.268 57 E C 0.250 176.910 176.600 0.100 0.000 0.902 57 E CA -0.155 56.292 56.400 0.078 0.000 0.779 57 E CB 1.754 31.504 29.700 0.084 0.000 1.172 57 E HN 0.442 nan 8.360 nan 0.000 0.409 58 S N 0.884 116.667 115.700 0.138 0.000 2.715 58 S HA 0.249 4.719 4.470 -0.000 0.000 0.307 58 S C 0.206 174.978 174.600 0.287 0.000 1.119 58 S CA -0.840 57.476 58.200 0.193 0.000 0.937 58 S CB 0.976 64.283 63.200 0.178 0.000 1.150 58 S HN 0.802 nan 8.310 nan 0.000 0.521 59 W N 1.658 123.032 121.300 0.124 0.000 2.315 59 W HA -0.085 4.575 4.660 -0.000 0.000 0.323 59 W C 1.794 178.442 176.519 0.214 0.000 1.233 59 W CA 2.274 59.702 57.345 0.138 0.000 1.267 59 W CB -0.947 28.583 29.460 0.116 0.000 1.160 59 W HN 0.913 nan 8.180 nan 0.000 0.474 60 E N -0.021 120.315 120.200 0.225 0.000 2.072 60 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 60 E C 2.476 179.267 176.600 0.320 0.000 0.985 60 E CA 2.242 58.733 56.400 0.153 0.000 0.801 60 E CB -0.943 28.866 29.700 0.183 0.000 0.750 60 E HN 0.305 nan 8.360 nan 0.000 0.452 61 S N -0.160 115.692 115.700 0.254 0.000 2.382 61 S HA -0.181 4.289 4.470 -0.000 0.000 0.228 61 S C 2.033 176.760 174.600 0.211 0.000 1.027 61 S CA 1.670 60.006 58.200 0.227 0.000 0.991 61 S CB -0.704 62.588 63.200 0.153 0.000 0.823 61 S HN 0.197 nan 8.310 nan 0.000 0.469 62 T N 1.451 116.117 114.554 0.187 0.000 2.777 62 T HA 0.026 4.376 4.350 -0.000 0.000 0.266 62 T C 1.267 176.028 174.700 0.102 0.000 1.040 62 T CA 1.355 63.538 62.100 0.138 0.000 1.141 62 T CB -0.615 68.343 68.868 0.151 0.000 0.868 62 T HN 0.507 nan 8.240 nan 0.000 0.444 63 F N 1.856 121.773 119.950 -0.054 0.000 2.095 63 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 63 F C 2.482 178.153 175.800 -0.215 0.000 1.104 63 F CA 1.563 59.455 58.000 -0.180 0.000 1.232 63 F CB -0.327 38.504 39.000 -0.282 0.000 0.987 63 F HN 0.273 nan 8.300 nan 0.000 0.475 64 H N -1.021 118.105 119.070 0.094 0.000 2.395 64 H HA -0.085 4.471 4.556 -0.000 0.000 0.299 64 H C 2.481 177.810 175.328 0.002 0.000 1.070 64 H CA 1.900 57.970 56.048 0.036 0.000 1.356 64 H CB -0.861 29.049 29.762 0.246 0.000 1.401 64 H HN 0.383 nan 8.280 nan 0.000 0.524 65 T N -0.450 114.176 114.554 0.120 0.000 2.915 65 T HA -0.042 4.308 4.350 -0.000 0.000 0.269 65 T C 2.229 176.908 174.700 -0.035 0.000 1.071 65 T CA 0.463 62.603 62.100 0.067 0.000 1.132 65 T CB -0.376 68.532 68.868 0.067 0.000 0.878 65 T HN 0.150 nan 8.240 nan 0.000 0.479 66 L N 0.188 121.337 121.223 -0.124 0.000 2.044 66 L HA 0.093 4.433 4.340 -0.000 0.000 0.205 66 L C 3.026 179.718 176.870 -0.296 0.000 1.075 66 L CA 1.548 56.270 54.840 -0.197 0.000 0.747 66 L CB -0.421 41.496 42.059 -0.237 0.000 0.903 66 L HN 0.265 nan 8.230 nan 0.000 0.435 67 K N -0.382 119.723 120.400 -0.491 0.000 2.002 67 K HA -0.198 4.122 4.320 -0.000 0.000 0.209 67 K C 1.926 178.236 176.600 -0.483 0.000 1.048 67 K CA 1.877 57.788 56.287 -0.626 0.000 0.930 67 K CB -0.054 31.844 32.500 -1.004 0.000 0.714 67 K HN 0.418 nan 8.250 nan 0.000 0.438 68 H N -1.530 117.478 119.070 -0.102 0.000 2.547 68 H HA 0.109 4.665 4.556 -0.000 0.000 0.272 68 H C 1.354 176.654 175.328 -0.046 0.000 0.971 68 H CA 1.076 57.093 56.048 -0.052 0.000 1.245 68 H CB 0.753 30.511 29.762 -0.008 0.000 1.440 68 H HN 0.160 nan 8.280 nan 0.000 0.540 69 T N -0.369 114.212 114.554 0.045 0.000 3.111 69 T HA 0.130 4.480 4.350 -0.000 0.000 0.236 69 T C 1.919 176.608 174.700 -0.019 0.000 0.984 69 T CA 0.108 62.222 62.100 0.022 0.000 1.195 69 T CB -0.012 68.878 68.868 0.037 0.000 0.929 69 T HN 0.043 nan 8.240 nan 0.000 0.431 70 L N 1.579 122.776 121.223 -0.044 0.000 2.049 70 L HA -0.031 4.309 4.340 -0.000 0.000 0.203 70 L C 3.137 179.956 176.870 -0.084 0.000 1.074 70 L CA 1.654 56.458 54.840 -0.061 0.000 0.749 70 L CB -1.080 40.940 42.059 -0.066 0.000 0.907 70 L HN 0.443 nan 8.230 nan 0.000 0.439 71 T N -2.394 112.090 114.554 -0.117 0.000 2.720 71 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 71 T C -0.461 174.173 174.700 -0.110 0.000 1.037 71 T CA 0.937 62.959 62.100 -0.130 0.000 1.144 71 T CB -1.893 66.868 68.868 -0.179 0.000 0.864 71 T HN 0.203 nan 8.240 nan 0.000 0.444 72 P HA 0.022 nan 4.420 nan 0.000 0.218 72 P C 1.544 178.808 177.300 -0.060 0.000 1.148 72 P CA 1.581 64.636 63.100 -0.075 0.000 0.822 72 P CB -0.324 31.345 31.700 -0.053 0.000 0.784 73 A N -0.812 121.976 122.820 -0.054 0.000 2.167 73 A HA 0.036 4.356 4.320 -0.000 0.000 0.214 73 A C 2.202 179.753 177.584 -0.055 0.000 1.151 73 A CA 0.661 52.671 52.037 -0.045 0.000 0.735 73 A CB -1.179 17.800 19.000 -0.035 0.000 0.802 73 A HN 0.158 nan 8.150 nan 0.000 0.467 74 L N -0.853 120.328 121.223 -0.070 0.000 2.513 74 L HA 0.192 4.532 4.340 -0.000 0.000 0.222 74 L C -0.070 176.754 176.870 -0.077 0.000 1.096 74 L CA -0.405 54.388 54.840 -0.077 0.000 0.857 74 L CB -0.128 41.876 42.059 -0.092 0.000 1.026 74 L HN 0.163 nan 8.230 nan 0.000 0.469 75 I N 0.973 121.497 120.570 -0.076 0.000 2.683 75 I HA 0.076 4.246 4.170 -0.000 0.000 0.286 75 I C 1.427 177.507 176.117 -0.061 0.000 1.175 75 I CA 1.102 62.358 61.300 -0.074 0.000 1.429 75 I CB 0.379 38.334 38.000 -0.075 0.000 1.371 75 I HN 0.297 nan 8.210 nan 0.000 0.569 76 G N 3.794 112.559 108.800 -0.059 0.000 2.199 76 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.254 76 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.254 76 G C 0.435 175.305 174.900 -0.051 0.000 0.982 76 G CA -0.009 45.061 45.100 -0.050 0.000 0.632 76 G HN 0.565 nan 8.290 nan 0.000 0.529 77 Q N 0.477 120.241 119.800 -0.058 0.000 2.306 77 Q HA 0.586 4.926 4.340 -0.000 0.000 0.241 77 Q C 0.135 176.093 176.000 -0.069 0.000 0.948 77 Q CA -0.569 55.197 55.803 -0.061 0.000 0.886 77 Q CB 0.716 29.414 28.738 -0.067 0.000 1.227 77 Q HN 0.276 nan 8.270 nan 0.000 0.457 78 N N 3.318 121.976 118.700 -0.070 0.000 2.406 78 N HA 0.188 4.928 4.740 -0.000 0.000 0.251 78 N C -2.074 173.373 175.510 -0.104 0.000 1.069 78 N CA -1.796 51.207 53.050 -0.078 0.000 0.947 78 N CB 1.025 39.471 38.487 -0.069 0.000 1.111 78 N HN 0.377 nan 8.380 nan 0.000 0.497 79 P HA -0.081 nan 4.420 nan 0.000 0.230 79 P C 1.120 178.303 177.300 -0.196 0.000 1.158 79 P CA 0.716 63.725 63.100 -0.152 0.000 0.769 79 P CB 0.338 31.959 31.700 -0.131 0.000 0.807 80 M N -0.469 119.035 119.600 -0.159 0.000 2.349 80 M HA -0.012 4.468 4.480 -0.000 0.000 0.266 80 M C 0.493 176.679 176.300 -0.191 0.000 1.076 80 M CA 0.922 56.121 55.300 -0.169 0.000 1.126 80 M CB -1.374 31.160 32.600 -0.110 0.000 1.392 80 M HN 0.018 nan 8.290 nan 0.000 0.440 81 N N 1.412 120.012 118.700 -0.166 0.000 3.083 81 N HA 0.105 4.845 4.740 -0.000 0.000 0.260 81 N C 1.052 176.440 175.510 -0.204 0.000 1.163 81 N CA -0.370 52.587 53.050 -0.156 0.000 1.060 81 N CB 1.033 39.461 38.487 -0.098 0.000 1.345 81 N HN 0.065 nan 8.380 nan 0.000 0.515 82 I N 1.464 121.839 120.570 -0.326 0.000 2.208 82 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 82 I C 2.258 178.216 176.117 -0.265 0.000 1.097 82 I CA 1.747 62.807 61.300 -0.400 0.000 1.363 82 I CB -0.223 37.346 38.000 -0.717 0.000 1.051 82 I HN 0.501 nan 8.210 nan 0.000 0.413 83 E N 0.907 120.923 120.200 -0.307 0.000 2.085 83 E HA -0.297 4.053 4.350 -0.000 0.000 0.194 83 E C 2.186 178.820 176.600 0.056 0.000 0.994 83 E CA 1.816 58.204 56.400 -0.021 0.000 0.801 83 E CB -0.118 29.618 29.700 0.061 0.000 0.743 83 E HN 0.232 nan 8.360 nan 0.000 0.453 84 K N 0.003 120.396 120.400 -0.012 0.000 2.025 84 K HA -0.055 4.265 4.320 -0.000 0.000 0.207 84 K C 1.944 178.538 176.600 -0.012 0.000 1.049 84 K CA 1.334 57.618 56.287 -0.005 0.000 0.933 84 K CB -0.264 32.215 32.500 -0.033 0.000 0.714 84 K HN 0.148 nan 8.250 nan 0.000 0.438 85 I N 0.808 121.345 120.570 -0.055 0.000 2.151 85 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 85 I C 1.972 178.028 176.117 -0.102 0.000 1.080 85 I CA 1.807 63.046 61.300 -0.101 0.000 1.339 85 I CB -1.071 36.828 38.000 -0.168 0.000 1.039 85 I HN 0.342 nan 8.210 nan 0.000 0.409 86 H N -0.192 118.876 119.070 -0.004 0.000 2.423 86 H HA -0.162 4.394 4.556 -0.000 0.000 0.297 86 H C 1.965 177.318 175.328 0.042 0.000 1.075 86 H CA 1.723 57.799 56.048 0.046 0.000 1.342 86 H CB -0.059 29.779 29.762 0.127 0.000 1.395 86 H HN 0.300 nan 8.280 nan 0.000 0.530 87 D N -0.237 120.249 120.400 0.143 0.000 2.117 87 D HA -0.171 4.469 4.640 -0.000 0.000 0.197 87 D C 2.204 178.535 176.300 0.052 0.000 0.987 87 D CA 0.990 55.046 54.000 0.094 0.000 0.829 87 D CB -0.028 40.815 40.800 0.073 0.000 0.961 87 D HN 0.187 nan 8.370 nan 0.000 0.460 88 M N -0.355 119.258 119.600 0.020 0.000 2.067 88 M HA -0.094 4.386 4.480 -0.000 0.000 0.260 88 M C 1.984 178.282 176.300 -0.003 0.000 1.069 88 M CA 1.591 56.890 55.300 -0.001 0.000 1.117 88 M CB -0.374 32.210 32.600 -0.027 0.000 1.334 88 M HN 0.074 nan 8.290 nan 0.000 0.407 89 M N -0.249 119.337 119.600 -0.022 0.000 2.080 89 M HA -0.220 4.260 4.480 -0.000 0.000 0.260 89 M C 1.644 177.955 176.300 0.020 0.000 1.068 89 M CA 1.823 57.109 55.300 -0.024 0.000 1.109 89 M CB -1.024 31.531 32.600 -0.076 0.000 1.342 89 M HN 0.229 nan 8.290 nan 0.000 0.405 90 D N 0.417 120.847 120.400 0.049 0.000 2.144 90 D HA -0.118 4.522 4.640 -0.000 0.000 0.199 90 D C 1.503 177.848 176.300 0.074 0.000 0.984 90 D CA 1.196 55.237 54.000 0.068 0.000 0.834 90 D CB -0.608 40.244 40.800 0.086 0.000 0.955 90 D HN 0.490 nan 8.370 nan 0.000 0.465 91 N N -0.534 118.201 118.700 0.058 0.000 2.244 91 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 91 N C 1.822 177.359 175.510 0.046 0.000 1.016 91 N CA 1.453 54.535 53.050 0.052 0.000 0.866 91 N CB 0.113 38.622 38.487 0.037 0.000 0.980 91 N HN 0.219 nan 8.380 nan 0.000 0.430 92 T N -1.461 113.114 114.554 0.035 0.000 2.978 92 T HA 0.113 4.463 4.350 -0.000 0.000 0.262 92 T C 0.634 175.361 174.700 0.046 0.000 1.063 92 T CA 0.287 62.404 62.100 0.029 0.000 1.140 92 T CB 0.239 69.113 68.868 0.011 0.000 0.886 92 T HN 0.117 nan 8.240 nan 0.000 0.470 93 I N 0.065 120.672 120.570 0.061 0.000 2.743 93 I HA 0.469 4.639 4.170 -0.000 0.000 0.292 93 I C -1.755 174.440 176.117 0.129 0.000 1.343 93 I CA -1.621 59.733 61.300 0.090 0.000 1.038 93 I CB 2.091 40.130 38.000 0.066 0.000 1.311 93 I HN 0.203 nan 8.210 nan 0.000 0.426 94 Y N 7.369 127.684 120.300 0.025 0.000 2.304 94 Y HA 0.607 5.156 4.550 -0.000 0.000 0.327 94 Y C 0.912 176.832 175.900 0.034 0.000 1.209 94 Y CA 1.540 59.658 58.100 0.030 0.000 1.299 94 Y CB 1.148 39.622 38.460 0.024 0.000 1.249 94 Y HN 0.948 nan 8.280 nan 0.000 0.519 95 G N 1.940 110.423 108.800 -0.530 0.000 2.556 95 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.283 95 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.283 95 G C 0.202 175.042 174.900 -0.099 0.000 1.177 95 G CA -0.040 44.857 45.100 -0.339 0.000 0.978 95 G HN 1.660 nan 8.290 nan 0.000 0.554 96 V N 1.368 121.269 119.914 -0.022 0.000 5.691 96 V HA -0.215 3.905 4.120 -0.000 0.000 0.288 96 V C 0.266 176.366 176.094 0.010 0.000 0.615 96 V CA 2.356 64.665 62.300 0.015 0.000 0.619 96 V CB -0.924 30.918 31.823 0.032 0.000 0.296 96 V HN 0.916 nan 8.190 nan 0.000 0.834 97 P HA -0.163 nan 4.420 nan 0.000 0.216 97 P C 1.531 178.857 177.300 0.043 0.000 1.150 97 P CA 1.995 65.107 63.100 0.019 0.000 0.837 97 P CB 0.096 31.798 31.700 0.004 0.000 0.786 98 T N 0.264 114.846 114.554 0.047 0.000 2.708 98 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 98 T C 2.119 176.855 174.700 0.061 0.000 1.037 98 T CA 1.777 63.913 62.100 0.061 0.000 1.146 98 T CB -0.830 68.083 68.868 0.074 0.000 0.865 98 T HN 0.098 nan 8.240 nan 0.000 0.435 99 A N 1.805 124.656 122.820 0.051 0.000 1.902 99 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 99 A C 2.233 179.828 177.584 0.018 0.000 1.181 99 A CA 1.570 53.627 52.037 0.034 0.000 0.623 99 A CB -0.426 18.588 19.000 0.023 0.000 0.818 99 A HN 0.467 nan 8.150 nan 0.000 0.443 100 K N -0.245 120.167 120.400 0.021 0.000 2.148 100 K HA -0.007 4.313 4.320 -0.000 0.000 0.204 100 K C 2.230 178.854 176.600 0.042 0.000 1.050 100 K CA 0.945 57.235 56.287 0.006 0.000 0.942 100 K CB -0.291 32.226 32.500 0.029 0.000 0.724 100 K HN 0.449 nan 8.250 nan 0.000 0.446 101 A N 1.695 124.562 122.820 0.078 0.000 1.902 101 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 101 A C 2.410 180.049 177.584 0.091 0.000 1.181 101 A CA 1.736 53.837 52.037 0.106 0.000 0.623 101 A CB -0.681 18.372 19.000 0.088 0.000 0.818 101 A HN 0.312 nan 8.150 nan 0.000 0.443 102 A N -0.187 122.674 122.820 0.068 0.000 1.940 102 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 102 A C 2.121 179.735 177.584 0.049 0.000 1.176 102 A CA 1.702 53.779 52.037 0.067 0.000 0.631 102 A CB -0.562 18.473 19.000 0.058 0.000 0.814 102 A HN 0.513 nan 8.150 nan 0.000 0.446 103 I N -0.615 119.963 120.570 0.013 0.000 2.333 103 I HA -0.170 4.000 4.170 -0.000 0.000 0.246 103 I C 2.350 178.463 176.117 -0.006 0.000 1.106 103 I CA 1.405 62.690 61.300 -0.025 0.000 1.411 103 I CB -0.270 37.682 38.000 -0.080 0.000 1.082 103 I HN 0.465 nan 8.210 nan 0.000 0.420 104 D N 1.638 122.059 120.400 0.035 0.000 2.104 104 D HA -0.208 4.432 4.640 -0.000 0.000 0.194 104 D C 2.230 178.691 176.300 0.268 0.000 0.994 104 D CA 1.620 55.716 54.000 0.159 0.000 0.830 104 D CB 0.042 41.039 40.800 0.328 0.000 0.959 104 D HN 0.325 nan 8.370 nan 0.000 0.452 105 I N 1.241 121.938 120.570 0.212 0.000 2.226 105 I HA -0.246 3.924 4.170 -0.000 0.000 0.245 105 I C 2.809 179.029 176.117 0.171 0.000 1.100 105 I CA 1.131 62.557 61.300 0.210 0.000 1.374 105 I CB -0.303 37.783 38.000 0.142 0.000 1.057 105 I HN 0.014 nan 8.210 nan 0.000 0.413 106 A N -0.144 122.738 122.820 0.103 0.000 1.933 106 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 106 A C 2.440 180.034 177.584 0.016 0.000 1.175 106 A CA 1.786 53.855 52.037 0.054 0.000 0.628 106 A CB -1.205 17.799 19.000 0.006 0.000 0.814 106 A HN 0.548 nan 8.150 nan 0.000 0.444 107 C N -1.972 117.317 119.300 -0.018 0.000 2.429 107 C HA -0.065 4.395 4.460 -0.000 0.000 0.277 107 C C 2.407 177.297 174.990 -0.166 0.000 1.262 107 C CA 0.835 59.776 59.018 -0.129 0.000 1.733 107 C CB -1.708 25.899 27.740 -0.223 0.000 2.010 107 C HN 0.640 nan 8.230 nan 0.000 0.483 108 F N 0.927 120.862 119.950 -0.024 0.000 2.259 108 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 108 F C 2.182 177.948 175.800 -0.056 0.000 1.088 108 F CA 1.832 59.811 58.000 -0.036 0.000 1.358 108 F CB -0.401 38.586 39.000 -0.022 0.000 1.040 108 F HN 0.190 nan 8.300 nan 0.000 0.505 109 D N 0.688 121.163 120.400 0.125 0.000 2.084 109 D HA -0.189 4.451 4.640 -0.000 0.000 0.194 109 D C 2.222 178.537 176.300 0.025 0.000 0.990 109 D CA 1.480 55.517 54.000 0.061 0.000 0.826 109 D CB -0.266 40.588 40.800 0.090 0.000 0.971 109 D HN 0.244 nan 8.370 nan 0.000 0.453 110 I N 0.044 120.614 120.570 0.000 0.000 2.208 110 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 110 I C 2.630 178.724 176.117 -0.038 0.000 1.097 110 I CA 0.827 62.111 61.300 -0.027 0.000 1.363 110 I CB -0.232 37.735 38.000 -0.055 0.000 1.051 110 I HN 0.151 nan 8.210 nan 0.000 0.413 111 M N 0.372 119.936 119.600 -0.059 0.000 2.080 111 M HA -0.177 4.303 4.480 -0.000 0.000 0.260 111 M C 2.216 178.504 176.300 -0.020 0.000 1.068 111 M CA 2.346 57.607 55.300 -0.064 0.000 1.109 111 M CB -0.509 32.018 32.600 -0.121 0.000 1.342 111 M HN 0.312 nan 8.290 nan 0.000 0.405 112 G N 0.135 108.936 108.800 0.001 0.000 2.418 112 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 112 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 112 G C 1.525 176.413 174.900 -0.020 0.000 1.158 112 G CA 0.857 45.948 45.100 -0.015 0.000 0.771 112 G HN 0.440 nan 8.290 nan 0.000 0.545 113 K N 0.225 120.617 120.400 -0.013 0.000 2.057 113 K HA -0.079 4.241 4.320 -0.000 0.000 0.207 113 K C 2.434 179.028 176.600 -0.009 0.000 1.049 113 K CA 1.377 57.660 56.287 -0.007 0.000 0.931 113 K CB -0.097 32.406 32.500 0.005 0.000 0.714 113 K HN 0.178 nan 8.250 nan 0.000 0.440 114 K N 1.629 122.020 120.400 -0.015 0.000 2.063 114 K HA -0.106 4.214 4.320 -0.000 0.000 0.208 114 K C 1.475 178.068 176.600 -0.013 0.000 1.048 114 K CA 1.439 57.715 56.287 -0.017 0.000 0.928 114 K CB -0.146 32.338 32.500 -0.028 0.000 0.713 114 K HN 0.095 nan 8.250 nan 0.000 0.442 115 L N 0.801 122.017 121.223 -0.011 0.000 2.611 115 L HA 0.138 4.478 4.340 -0.000 0.000 0.229 115 L C 0.230 177.098 176.870 -0.004 0.000 1.137 115 L CA -0.079 54.758 54.840 -0.005 0.000 0.901 115 L CB -0.728 41.331 42.059 0.000 0.000 1.098 115 L HN 0.424 nan 8.230 nan 0.000 0.456 116 N N 1.924 120.619 118.700 -0.008 0.000 2.667 116 N HA -0.230 4.510 4.740 -0.000 0.000 0.263 116 N C -0.251 175.251 175.510 -0.013 0.000 1.038 116 N CA 0.367 53.412 53.050 -0.008 0.000 0.749 116 N CB -0.173 38.312 38.487 -0.003 0.000 0.892 116 N HN 0.444 nan 8.380 nan 0.000 0.546 117 Q N 0.311 120.094 119.800 -0.027 0.000 2.426 117 Q HA 0.523 4.862 4.340 -0.000 0.000 0.278 117 Q C -2.743 173.194 176.000 -0.105 0.000 1.007 117 Q CA -1.129 54.646 55.803 -0.048 0.000 0.850 117 Q CB 2.176 30.901 28.738 -0.022 0.000 1.427 117 Q HN 0.108 nan 8.270 nan 0.000 0.391 118 P HA 0.012 nan 4.420 nan 0.000 0.274 118 P C 0.324 177.415 177.300 -0.349 0.000 1.231 118 P CA -0.148 62.752 63.100 -0.333 0.000 0.790 118 P CB 0.984 32.300 31.700 -0.640 0.000 0.951 119 V N 2.238 121.912 119.914 -0.400 0.000 2.282 119 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 119 V C 2.424 178.539 176.094 0.036 0.000 1.057 119 V CA 2.645 64.796 62.300 -0.248 0.000 1.032 119 V CB -2.015 29.471 31.823 -0.562 0.000 0.645 119 V HN 0.617 nan 8.190 nan 0.000 0.447 120 Y N 0.998 121.570 120.300 0.453 0.000 2.365 120 Y HA -0.234 4.316 4.550 -0.000 0.000 0.287 120 Y C 2.268 178.292 175.900 0.207 0.000 1.162 120 Y CA 1.531 59.820 58.100 0.315 0.000 1.260 120 Y CB -1.162 37.479 38.460 0.302 0.000 0.976 120 Y HN 0.321 nan 8.280 nan 0.000 0.548 121 Q N 0.603 120.532 119.800 0.215 0.000 2.297 121 Q HA -0.001 4.339 4.340 -0.000 0.000 0.204 121 Q C 1.409 177.516 176.000 0.179 0.000 0.962 121 Q CA 1.086 57.023 55.803 0.225 0.000 0.879 121 Q CB -0.166 28.623 28.738 0.085 0.000 0.947 121 Q HN 0.525 nan 8.270 nan 0.000 0.462 122 L N 0.444 121.769 121.223 0.170 0.000 2.567 122 L HA 0.155 4.495 4.340 -0.000 0.000 0.225 122 L C 1.231 178.247 176.870 0.243 0.000 1.119 122 L CA 0.682 55.643 54.840 0.201 0.000 0.871 122 L CB -0.611 41.600 42.059 0.254 0.000 1.036 122 L HN 0.425 nan 8.230 nan 0.000 0.459 123 I N -4.175 116.530 120.570 0.225 0.000 3.491 123 I HA 0.630 4.800 4.170 -0.000 0.000 0.332 123 I C 0.806 177.048 176.117 0.209 0.000 1.565 123 I CA 0.149 61.576 61.300 0.212 0.000 1.050 123 I CB 0.501 38.576 38.000 0.125 0.000 1.348 123 I HN 0.102 nan 8.210 nan 0.000 0.506 124 G N 0.326 109.252 108.800 0.211 0.000 2.367 124 G HA2 0.192 4.152 3.960 -0.000 0.000 0.181 124 G HA3 0.192 4.152 3.960 -0.000 0.000 0.181 124 G C 0.632 175.652 174.900 0.200 0.000 1.000 124 G CA -0.153 45.063 45.100 0.193 0.000 0.693 124 G HN 1.462 nan 8.290 nan 0.000 0.480 125 G N -0.455 108.499 108.800 0.256 0.000 2.728 125 G HA2 0.153 4.113 3.960 -0.000 0.000 0.294 125 G HA3 0.153 4.113 3.960 -0.000 0.000 0.294 125 G C -0.269 174.783 174.900 0.254 0.000 1.342 125 G CA 0.422 45.689 45.100 0.279 0.000 0.866 125 G HN 1.123 nan 8.290 nan 0.000 0.534 126 R N -0.218 120.360 120.500 0.129 0.000 2.308 126 R HA 0.572 4.911 4.340 -0.000 0.000 0.305 126 R C 0.547 176.838 176.300 -0.016 0.000 1.053 126 R CA -0.306 55.718 56.100 -0.127 0.000 0.957 126 R CB 0.459 30.564 30.300 -0.325 0.000 1.022 126 R HN 0.781 nan 8.270 nan 0.000 0.461 127 Y N 3.155 123.381 120.300 -0.123 0.000 2.664 127 Y HA 0.224 4.774 4.550 -0.000 0.000 0.278 127 Y C 0.059 175.749 175.900 -0.351 0.000 1.130 127 Y CA 0.225 58.187 58.100 -0.230 0.000 1.260 127 Y CB 0.545 38.827 38.460 -0.296 0.000 1.369 127 Y HN 0.567 nan 8.280 nan 0.000 0.499 128 H N 0.959 119.975 119.070 -0.091 0.000 2.483 128 H HA 0.215 4.771 4.556 -0.000 0.000 0.338 128 H C 0.373 175.575 175.328 -0.210 0.000 1.152 128 H CA -0.106 55.743 56.048 -0.332 0.000 1.264 128 H CB 1.841 31.166 29.762 -0.729 0.000 1.510 128 H HN 0.280 nan 8.280 nan 0.000 0.530 129 E N 0.970 121.097 120.200 -0.121 0.000 2.127 129 E HA 0.007 4.357 4.350 -0.000 0.000 0.191 129 E C 0.294 176.945 176.600 0.084 0.000 0.964 129 E CA 0.684 57.066 56.400 -0.030 0.000 0.832 129 E CB 0.811 30.451 29.700 -0.102 0.000 0.790 129 E HN 0.802 nan 8.360 nan 0.000 0.465 130 E N -1.518 118.614 120.200 -0.114 0.000 2.429 130 E HA 0.478 4.828 4.350 -0.000 0.000 0.280 130 E C -1.270 175.137 176.600 -0.322 0.000 1.068 130 E CA -0.702 55.683 56.400 -0.026 0.000 0.837 130 E CB 1.002 30.721 29.700 0.032 0.000 1.357 130 E HN -0.176 nan 8.360 nan 0.000 0.455 131 F N 0.401 120.316 119.950 -0.058 0.000 2.588 131 F HA 0.507 5.034 4.527 -0.000 0.000 0.310 131 F C -2.351 173.483 175.800 0.055 0.000 1.082 131 F CA -1.929 56.020 58.000 -0.086 0.000 0.929 131 F CB 2.539 41.425 39.000 -0.189 0.000 1.254 131 F HN 0.261 nan 8.300 nan 0.000 0.455 132 P HA 0.237 nan 4.420 nan 0.000 0.276 132 P C -1.038 176.255 177.300 -0.011 0.000 1.244 132 P CA -0.239 62.808 63.100 -0.089 0.000 0.801 132 P CB 1.806 33.436 31.700 -0.116 0.000 1.006 133 V N 1.711 121.569 119.914 -0.093 0.000 2.483 133 V HA 0.393 4.513 4.120 -0.000 0.000 0.295 133 V C 0.870 177.010 176.094 0.076 0.000 1.035 133 V CA -0.247 62.099 62.300 0.076 0.000 0.896 133 V CB 1.391 33.318 31.823 0.173 0.000 0.986 133 V HN 0.756 nan 8.190 nan 0.000 0.447 134 T N 1.492 116.065 114.554 0.030 0.000 2.859 134 T HA 0.477 4.827 4.350 -0.000 0.000 0.281 134 T C -0.574 173.997 174.700 -0.214 0.000 1.005 134 T CA -0.556 61.477 62.100 -0.111 0.000 1.025 134 T CB 0.963 69.763 68.868 -0.114 0.000 0.977 134 T HN 0.748 nan 8.240 nan 0.000 0.458 135 H N 3.224 121.891 119.070 -0.671 0.000 2.668 135 H HA 0.481 5.037 4.556 -0.000 0.000 0.303 135 H C 0.221 175.387 175.328 -0.270 0.000 1.074 135 H CA -0.408 55.229 56.048 -0.684 0.000 1.406 135 H CB 0.586 29.602 29.762 -1.244 0.000 1.442 135 H HN 0.701 nan 8.280 nan 0.000 0.482 136 V N 5.130 124.651 119.914 -0.656 0.000 2.432 136 V HA 0.322 4.442 4.120 -0.000 0.000 0.271 136 V C -0.258 175.577 176.094 -0.431 0.000 1.046 136 V CA -0.685 61.392 62.300 -0.373 0.000 0.945 136 V CB 0.407 32.139 31.823 -0.153 0.000 0.992 136 V HN 0.621 nan 8.190 nan 0.000 0.471 137 L N 5.355 126.461 121.223 -0.195 0.000 2.255 137 L HA 0.421 4.761 4.340 -0.000 0.000 0.289 137 L C 0.875 177.681 176.870 -0.107 0.000 1.046 137 L CA 0.057 54.836 54.840 -0.102 0.000 0.816 137 L CB 1.118 43.168 42.059 -0.016 0.000 1.197 137 L HN 0.764 nan 8.230 nan 0.000 0.427 138 S N 3.251 118.888 115.700 -0.105 0.000 2.573 138 S HA 0.259 4.729 4.470 -0.000 0.000 0.277 138 S C 0.510 175.014 174.600 -0.161 0.000 1.346 138 S CA -0.516 57.569 58.200 -0.191 0.000 1.034 138 S CB 0.563 63.655 63.200 -0.180 0.000 0.879 138 S HN 0.360 nan 8.310 nan 0.000 0.528 139 I N 2.566 123.013 120.570 -0.205 0.000 2.845 139 I HA 0.063 4.233 4.170 -0.000 0.000 0.290 139 I C 0.640 176.693 176.117 -0.106 0.000 1.202 139 I CA 0.207 61.417 61.300 -0.150 0.000 1.406 139 I CB -0.707 37.191 38.000 -0.169 0.000 1.383 139 I HN 0.650 nan 8.210 nan 0.000 0.549 140 A N 5.638 128.411 122.820 -0.077 0.000 2.525 140 A HA 0.576 4.896 4.320 -0.000 0.000 0.291 140 A C -1.132 176.425 177.584 -0.044 0.000 1.268 140 A CA -0.778 51.226 52.037 -0.056 0.000 0.712 140 A CB 0.844 19.817 19.000 -0.046 0.000 1.320 140 A HN 0.532 nan 8.150 nan 0.000 0.456 141 D N 0.540 120.919 120.400 -0.035 0.000 2.339 141 D HA 0.406 5.046 4.640 -0.000 0.000 0.245 141 D C -1.719 174.563 176.300 -0.030 0.000 1.115 141 D CA -0.956 53.027 54.000 -0.028 0.000 0.917 141 D CB 0.687 41.472 40.800 -0.023 0.000 1.192 141 D HN 0.126 nan 8.370 nan 0.000 0.428 142 P HA -0.224 nan 4.420 nan 0.000 0.219 142 P C 0.875 178.155 177.300 -0.035 0.000 1.153 142 P CA 1.320 64.403 63.100 -0.028 0.000 0.865 142 P CB 0.311 31.999 31.700 -0.020 0.000 0.788 143 E N -2.077 118.104 120.200 -0.031 0.000 2.340 143 E HA 0.040 4.390 4.350 -0.000 0.000 0.194 143 E C 1.625 178.203 176.600 -0.036 0.000 0.996 143 E CA 0.279 56.659 56.400 -0.034 0.000 0.869 143 E CB -0.652 29.032 29.700 -0.026 0.000 0.835 143 E HN 0.258 nan 8.360 nan 0.000 0.493 144 N N 0.005 118.686 118.700 -0.032 0.000 2.331 144 N HA -0.023 4.717 4.740 -0.000 0.000 0.180 144 N C 1.698 177.187 175.510 -0.035 0.000 1.019 144 N CA 0.758 53.791 53.050 -0.029 0.000 0.881 144 N CB 0.078 38.550 38.487 -0.025 0.000 0.972 144 N HN 0.257 nan 8.380 nan 0.000 0.435 145 M N 0.024 119.597 119.600 -0.045 0.000 2.357 145 M HA 0.106 4.586 4.480 -0.000 0.000 0.266 145 M C 2.247 178.495 176.300 -0.087 0.000 1.095 145 M CA 0.501 55.766 55.300 -0.057 0.000 1.156 145 M CB -0.045 32.518 32.600 -0.061 0.000 1.365 145 M HN 0.024 nan 8.290 nan 0.000 0.447 146 A N 0.357 123.125 122.820 -0.086 0.000 1.972 146 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 146 A C 1.963 179.481 177.584 -0.111 0.000 1.169 146 A CA 1.946 53.918 52.037 -0.110 0.000 0.635 146 A CB -0.661 18.290 19.000 -0.081 0.000 0.810 146 A HN 0.566 nan 8.150 nan 0.000 0.446 147 E N -0.426 119.729 120.200 -0.075 0.000 2.028 147 E HA -0.194 4.156 4.350 -0.000 0.000 0.190 147 E C 2.007 178.573 176.600 -0.056 0.000 0.984 147 E CA 0.973 57.338 56.400 -0.059 0.000 0.800 147 E CB -0.225 29.453 29.700 -0.037 0.000 0.758 147 E HN 0.697 nan 8.360 nan 0.000 0.448 148 E N -0.244 119.932 120.200 -0.040 0.000 2.219 148 E HA -0.225 4.125 4.350 -0.000 0.000 0.198 148 E C 1.694 178.284 176.600 -0.017 0.000 0.998 148 E CA 0.937 57.335 56.400 -0.003 0.000 0.818 148 E CB -0.048 29.679 29.700 0.045 0.000 0.741 148 E HN 0.345 nan 8.360 nan 0.000 0.477 149 A N 0.703 123.441 122.820 -0.138 0.000 1.930 149 A HA 0.108 4.428 4.320 -0.000 0.000 0.215 149 A C 2.319 179.744 177.584 -0.264 0.000 1.176 149 A CA 1.106 52.902 52.037 -0.402 0.000 0.632 149 A CB -0.393 18.155 19.000 -0.753 0.000 0.819 149 A HN 0.359 nan 8.150 nan 0.000 0.445 150 A N -0.068 122.657 122.820 -0.159 0.000 1.940 150 A HA -0.084 4.236 4.320 -0.000 0.000 0.219 150 A C 2.423 179.997 177.584 -0.016 0.000 1.176 150 A CA 2.149 54.137 52.037 -0.082 0.000 0.631 150 A CB -0.778 18.184 19.000 -0.064 0.000 0.814 150 A HN 0.450 nan 8.150 nan 0.000 0.446 151 S N -0.069 115.626 115.700 -0.008 0.000 2.335 151 S HA -0.141 4.329 4.470 -0.000 0.000 0.216 151 S C 2.004 176.640 174.600 0.061 0.000 1.032 151 S CA 1.712 59.921 58.200 0.016 0.000 1.000 151 S CB -0.379 62.820 63.200 -0.001 0.000 0.928 151 S HN 0.501 nan 8.310 nan 0.000 0.434 152 M N 1.147 120.795 119.600 0.079 0.000 2.267 152 M HA -0.031 4.449 4.480 -0.000 0.000 0.263 152 M C 1.917 178.434 176.300 0.362 0.000 1.063 152 M CA 0.903 56.312 55.300 0.180 0.000 1.090 152 M CB -1.413 31.157 32.600 -0.049 0.000 1.392 152 M HN 0.227 nan 8.290 nan 0.000 0.422 153 I N 0.989 121.757 120.570 0.329 0.000 2.151 153 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 153 I C 1.819 178.033 176.117 0.161 0.000 1.080 153 I CA 1.447 62.917 61.300 0.284 0.000 1.339 153 I CB -1.154 36.930 38.000 0.140 0.000 1.039 153 I HN 0.510 nan 8.210 nan 0.000 0.409 154 Q N 1.343 121.206 119.800 0.105 0.000 2.642 154 Q HA 0.085 4.425 4.340 -0.000 0.000 0.319 154 Q C 0.227 176.255 176.000 0.047 0.000 1.030 154 Q CA 0.139 55.978 55.803 0.060 0.000 0.943 154 Q CB -0.067 28.694 28.738 0.039 0.000 1.323 154 Q HN 0.415 nan 8.270 nan 0.000 0.419 155 K N -0.582 119.846 120.400 0.047 0.000 2.614 155 K HA 0.218 4.538 4.320 -0.000 0.000 0.190 155 K C 0.558 177.081 176.600 -0.128 0.000 1.255 155 K CA 0.189 56.467 56.287 -0.015 0.000 1.099 155 K CB 1.413 33.929 32.500 0.026 0.000 1.023 155 K HN 0.422 nan 8.250 nan 0.000 0.576 156 G N 0.968 109.721 108.800 -0.079 0.000 2.279 156 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.223 156 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.223 156 G C -0.077 174.715 174.900 -0.179 0.000 1.015 156 G CA -0.427 44.591 45.100 -0.137 0.000 0.621 156 G HN 0.232 nan 8.290 nan 0.000 0.506 157 Y N 1.189 121.418 120.300 -0.118 0.000 2.881 157 Y HA 0.207 4.757 4.550 -0.000 0.000 0.335 157 Y C 1.771 177.584 175.900 -0.146 0.000 1.263 157 Y CA 1.435 59.397 58.100 -0.229 0.000 1.572 157 Y CB 0.629 38.861 38.460 -0.380 0.000 1.237 157 Y HN 0.296 nan 8.280 nan 0.000 0.568 158 Q N 1.598 121.379 119.800 -0.031 0.000 2.350 158 Q HA 0.113 4.453 4.340 -0.000 0.000 0.225 158 Q C -0.462 175.552 176.000 0.023 0.000 0.878 158 Q CA 0.274 56.081 55.803 0.008 0.000 0.935 158 Q CB 0.714 29.425 28.738 -0.045 0.000 1.099 158 Q HN 0.616 nan 8.270 nan 0.000 0.527 159 S N -1.299 114.335 115.700 -0.110 0.000 2.541 159 S HA 0.746 5.216 4.470 -0.000 0.000 0.271 159 S C -0.982 173.423 174.600 -0.326 0.000 1.133 159 S CA -0.863 57.290 58.200 -0.078 0.000 0.876 159 S CB 0.978 64.130 63.200 -0.081 0.000 1.105 159 S HN 0.018 nan 8.310 nan 0.000 0.470 160 F N 0.842 120.737 119.950 -0.092 0.000 2.593 160 F HA 0.707 5.234 4.527 -0.000 0.000 0.320 160 F C 0.097 175.798 175.800 -0.165 0.000 1.060 160 F CA -0.810 57.121 58.000 -0.115 0.000 0.940 160 F CB 2.206 41.152 39.000 -0.090 0.000 1.268 160 F HN 0.749 nan 8.300 nan 0.000 0.475 161 K N 2.623 123.034 120.400 0.019 0.000 2.502 161 K HA 0.559 4.879 4.320 -0.000 0.000 0.254 161 K C -1.489 175.078 176.600 -0.054 0.000 0.947 161 K CA -0.425 55.821 56.287 -0.069 0.000 0.834 161 K CB 1.007 33.456 32.500 -0.085 0.000 1.112 161 K HN 0.707 nan 8.250 nan 0.000 0.427 162 M N 4.180 123.737 119.600 -0.071 0.000 2.108 162 M HA 0.266 4.746 4.480 -0.000 0.000 0.354 162 M C -0.268 175.972 176.300 -0.102 0.000 1.229 162 M CA -0.619 54.635 55.300 -0.077 0.000 1.081 162 M CB 1.242 33.800 32.600 -0.071 0.000 1.606 162 M HN 0.236 nan 8.290 nan 0.000 0.467 163 K N 3.869 124.196 120.400 -0.122 0.000 2.276 163 K HA 0.465 4.785 4.320 -0.000 0.000 0.285 163 K C -0.308 176.201 176.600 -0.152 0.000 1.062 163 K CA -0.139 56.051 56.287 -0.162 0.000 0.918 163 K CB 0.916 33.280 32.500 -0.226 0.000 1.055 163 K HN 0.644 nan 8.250 nan 0.000 0.477 164 V N -1.510 118.308 119.914 -0.159 0.000 3.204 164 V HA 0.901 5.021 4.120 -0.000 0.000 0.308 164 V C 0.555 176.556 176.094 -0.156 0.000 1.324 164 V CA -0.180 62.051 62.300 -0.115 0.000 1.042 164 V CB 1.294 33.092 31.823 -0.041 0.000 1.167 164 V HN 0.797 nan 8.190 nan 0.000 0.478 165 G N -0.568 108.190 108.800 -0.070 0.000 2.155 165 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.135 165 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.135 165 G C 0.448 175.360 174.900 0.019 0.000 1.023 165 G CA 0.915 45.967 45.100 -0.079 0.000 0.688 165 G HN 1.843 nan 8.290 nan 0.000 0.499 166 T N -3.145 111.439 114.554 0.051 0.000 3.046 166 T HA 0.343 4.693 4.350 -0.000 0.000 0.242 166 T C 0.629 175.377 174.700 0.080 0.000 1.018 166 T CA 1.190 63.312 62.100 0.038 0.000 1.131 166 T CB 0.477 69.346 68.868 0.003 0.000 0.904 166 T HN 0.912 nan 8.240 nan 0.000 0.459 167 N N -0.035 118.732 118.700 0.112 0.000 2.578 167 N HA 0.282 5.022 4.740 -0.000 0.000 0.282 167 N C 0.459 176.036 175.510 0.111 0.000 1.119 167 N CA -0.008 53.101 53.050 0.099 0.000 0.948 167 N CB 1.808 40.323 38.487 0.046 0.000 1.546 167 N HN -0.033 nan 8.380 nan 0.000 0.525 168 V N 4.447 124.407 119.914 0.077 0.000 2.252 168 V HA -0.297 3.822 4.120 -0.000 0.000 0.255 168 V C 2.048 178.114 176.094 -0.046 0.000 1.071 168 V CA 2.521 64.778 62.300 -0.071 0.000 1.050 168 V CB -0.364 31.263 31.823 -0.327 0.000 0.654 168 V HN 0.825 nan 8.190 nan 0.000 0.448 169 K N -1.001 119.375 120.400 -0.040 0.000 2.209 169 K HA -0.184 4.136 4.320 -0.000 0.000 0.204 169 K C 2.052 178.652 176.600 -0.000 0.000 1.048 169 K CA 1.951 58.221 56.287 -0.028 0.000 0.940 169 K CB -0.078 32.406 32.500 -0.026 0.000 0.729 169 K HN 0.746 nan 8.250 nan 0.000 0.451 170 E N 0.030 120.241 120.200 0.019 0.000 2.075 170 E HA -0.106 4.244 4.350 -0.000 0.000 0.190 170 E C 1.561 178.186 176.600 0.042 0.000 0.969 170 E CA 0.694 57.109 56.400 0.024 0.000 0.815 170 E CB 0.071 29.784 29.700 0.022 0.000 0.776 170 E HN 0.267 nan 8.360 nan 0.000 0.457 171 D N 1.059 121.511 120.400 0.087 0.000 2.133 171 D HA -0.166 4.474 4.640 -0.000 0.000 0.195 171 D C 2.278 178.639 176.300 0.100 0.000 0.997 171 D CA 1.729 55.802 54.000 0.122 0.000 0.840 171 D CB -0.305 40.659 40.800 0.274 0.000 0.947 171 D HN 0.180 nan 8.370 nan 0.000 0.452 172 V N -0.123 119.842 119.914 0.085 0.000 2.343 172 V HA -0.219 3.901 4.120 -0.000 0.000 0.247 172 V C 2.357 178.469 176.094 0.030 0.000 1.051 172 V CA 1.607 63.938 62.300 0.053 0.000 1.036 172 V CB -0.707 31.126 31.823 0.017 0.000 0.654 172 V HN -0.092 nan 8.190 nan 0.000 0.451 173 K N 1.017 121.430 120.400 0.021 0.000 2.074 173 K HA -0.171 4.149 4.320 -0.000 0.000 0.209 173 K C 2.314 178.914 176.600 0.001 0.000 1.048 173 K CA 2.014 58.307 56.287 0.010 0.000 0.926 173 K CB -0.440 32.063 32.500 0.005 0.000 0.713 173 K HN 0.596 nan 8.250 nan 0.000 0.444 174 R N -0.245 120.256 120.500 0.001 0.000 2.115 174 R HA 0.010 4.350 4.340 -0.000 0.000 0.226 174 R C 2.105 178.389 176.300 -0.027 0.000 1.100 174 R CA 1.075 57.165 56.100 -0.016 0.000 0.980 174 R CB -0.318 29.972 30.300 -0.017 0.000 0.875 174 R HN 0.137 nan 8.270 nan 0.000 0.445 175 I N 1.754 122.316 120.570 -0.014 0.000 2.072 175 I HA -0.233 3.937 4.170 -0.000 0.000 0.235 175 I C 1.928 178.013 176.117 -0.052 0.000 1.058 175 I CA 1.680 62.960 61.300 -0.033 0.000 1.320 175 I CB -1.328 36.662 38.000 -0.016 0.000 1.047 175 I HN 0.110 nan 8.210 nan 0.000 0.397 176 E N 1.926 122.102 120.200 -0.040 0.000 2.267 176 E HA -0.131 4.219 4.350 -0.000 0.000 0.197 176 E C 2.126 178.704 176.600 -0.036 0.000 0.998 176 E CA 1.237 57.614 56.400 -0.039 0.000 0.830 176 E CB -0.735 28.973 29.700 0.013 0.000 0.751 176 E HN 0.505 nan 8.360 nan 0.000 0.491 177 A N 1.290 124.090 122.820 -0.035 0.000 1.851 177 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 177 A C 2.536 180.081 177.584 -0.065 0.000 1.195 177 A CA 2.461 54.474 52.037 -0.041 0.000 0.622 177 A CB -1.158 17.819 19.000 -0.039 0.000 0.831 177 A HN 0.346 nan 8.150 nan 0.000 0.444 178 V N -1.403 118.459 119.914 -0.087 0.000 2.548 178 V HA -0.106 4.014 4.120 -0.000 0.000 0.249 178 V C 2.371 178.387 176.094 -0.130 0.000 1.055 178 V CA 2.428 64.649 62.300 -0.132 0.000 1.065 178 V CB -0.900 30.819 31.823 -0.173 0.000 0.681 178 V HN 0.518 nan 8.190 nan 0.000 0.462 179 R N 1.268 121.707 120.500 -0.102 0.000 2.073 179 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 179 R C 2.352 178.610 176.300 -0.070 0.000 1.134 179 R CA 2.296 58.342 56.100 -0.090 0.000 0.952 179 R CB -1.157 29.089 30.300 -0.089 0.000 0.850 179 R HN 0.671 nan 8.270 nan 0.000 0.433 180 E N 0.388 120.555 120.200 -0.055 0.000 2.077 180 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 180 E C 1.896 178.468 176.600 -0.046 0.000 0.989 180 E CA 1.323 57.701 56.400 -0.037 0.000 0.800 180 E CB -0.202 29.485 29.700 -0.023 0.000 0.746 180 E HN 0.188 nan 8.360 nan 0.000 0.452 181 R N 0.695 121.157 120.500 -0.064 0.000 2.159 181 R HA -0.110 4.230 4.340 -0.000 0.000 0.237 181 R C 2.098 178.348 176.300 -0.083 0.000 1.131 181 R CA 1.708 57.764 56.100 -0.074 0.000 0.982 181 R CB -0.498 29.745 30.300 -0.094 0.000 0.868 181 R HN 0.223 nan 8.270 nan 0.000 0.453 182 V N -3.159 116.696 119.914 -0.098 0.000 3.427 182 V HA 0.547 4.667 4.120 -0.000 0.000 0.305 182 V C 0.802 176.870 176.094 -0.043 0.000 1.412 182 V CA 0.085 62.331 62.300 -0.089 0.000 1.086 182 V CB -0.344 31.387 31.823 -0.154 0.000 0.964 182 V HN 0.492 nan 8.190 nan 0.000 0.439 183 G N 1.908 110.687 108.800 -0.036 0.000 2.681 183 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 183 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 183 G C -0.191 174.699 174.900 -0.016 0.000 1.353 183 G CA 0.135 45.224 45.100 -0.017 0.000 0.872 183 G HN 0.522 nan 8.290 nan 0.000 0.557 184 N N 0.933 119.630 118.700 -0.005 0.000 2.401 184 N HA 0.234 4.974 4.740 -0.000 0.000 0.264 184 N C -0.125 175.388 175.510 0.006 0.000 1.238 184 N CA 0.075 53.123 53.050 -0.003 0.000 0.889 184 N CB 0.930 39.417 38.487 -0.000 0.000 1.196 184 N HN 0.514 nan 8.380 nan 0.000 0.511 185 D N -0.103 120.305 120.400 0.013 0.000 2.502 185 D HA 0.166 4.806 4.640 -0.000 0.000 0.232 185 D C 0.255 176.576 176.300 0.035 0.000 1.137 185 D CA -0.005 54.009 54.000 0.023 0.000 0.827 185 D CB 1.684 42.500 40.800 0.026 0.000 1.141 185 D HN 0.089 nan 8.370 nan 0.000 0.517 186 I N 2.302 122.897 120.570 0.042 0.000 2.352 186 I HA 0.243 4.413 4.170 -0.000 0.000 0.290 186 I C 0.818 176.971 176.117 0.060 0.000 1.036 186 I CA -0.856 60.494 61.300 0.084 0.000 1.336 186 I CB 0.524 38.593 38.000 0.114 0.000 1.407 186 I HN -0.184 nan 8.210 nan 0.000 0.497 187 A N 8.347 131.198 122.820 0.053 0.000 2.477 187 A HA 0.550 4.870 4.320 -0.000 0.000 0.246 187 A C -0.023 177.554 177.584 -0.010 0.000 1.078 187 A CA 0.032 52.065 52.037 -0.007 0.000 0.770 187 A CB 0.131 19.108 19.000 -0.038 0.000 1.011 187 A HN 0.665 nan 8.150 nan 0.000 0.494 188 I N 2.690 123.206 120.570 -0.091 0.000 2.499 188 I HA 0.436 4.606 4.170 -0.000 0.000 0.288 188 I C 0.049 176.009 176.117 -0.261 0.000 1.048 188 I CA -0.578 60.653 61.300 -0.114 0.000 1.062 188 I CB 2.008 39.958 38.000 -0.083 0.000 1.238 188 I HN 0.917 nan 8.210 nan 0.000 0.426 189 R N 5.362 125.657 120.500 -0.341 0.000 2.670 189 R HA 0.837 5.177 4.340 -0.000 0.000 0.289 189 R C -1.720 174.402 176.300 -0.296 0.000 0.965 189 R CA -0.768 55.001 56.100 -0.551 0.000 0.899 189 R CB 2.649 32.321 30.300 -1.047 0.000 1.173 189 R HN 0.389 nan 8.270 nan 0.000 0.456 190 V N 1.646 121.430 119.914 -0.218 0.000 2.604 190 V HA 0.433 4.553 4.120 -0.000 0.000 0.305 190 V C -1.498 174.540 176.094 -0.094 0.000 1.043 190 V CA -0.546 61.681 62.300 -0.122 0.000 0.888 190 V CB 1.803 33.582 31.823 -0.072 0.000 0.995 190 V HN 0.940 nan 8.190 nan 0.000 0.429 191 D N 3.976 124.310 120.400 -0.110 0.000 2.481 191 D HA 0.293 4.933 4.640 -0.000 0.000 0.246 191 D C 0.162 176.334 176.300 -0.213 0.000 1.109 191 D CA 0.037 53.971 54.000 -0.110 0.000 0.845 191 D CB 2.109 42.877 40.800 -0.053 0.000 1.160 191 D HN 0.525 nan 8.370 nan 0.000 0.534 192 V N 3.311 123.030 119.914 -0.325 0.000 3.621 192 V HA 0.176 4.296 4.120 -0.000 0.000 0.285 192 V C 0.220 176.132 176.094 -0.304 0.000 1.346 192 V CA 0.016 62.039 62.300 -0.462 0.000 1.104 192 V CB -0.987 30.209 31.823 -1.046 0.000 0.913 192 V HN 0.714 nan 8.190 nan 0.000 0.432 193 N N 2.200 120.794 118.700 -0.177 0.000 2.699 193 N HA -0.284 4.456 4.740 -0.000 0.000 0.256 193 N C 0.640 176.160 175.510 0.017 0.000 0.993 193 N CA 1.407 54.429 53.050 -0.047 0.000 0.759 193 N CB -1.073 37.336 38.487 -0.130 0.000 0.906 193 N HN 0.934 nan 8.380 nan 0.000 0.541 194 Q N -4.115 115.662 119.800 -0.038 0.000 2.324 194 Q HA -0.267 4.073 4.340 -0.000 0.000 0.200 194 Q C 1.495 177.487 176.000 -0.012 0.000 0.645 194 Q CA 1.449 57.252 55.803 -0.000 0.000 1.377 194 Q CB -1.817 26.963 28.738 0.069 0.000 1.486 194 Q HN 0.634 nan 8.270 nan 0.000 0.796 195 G N 0.146 108.886 108.800 -0.099 0.000 2.507 195 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.221 195 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.221 195 G C 0.554 175.533 174.900 0.132 0.000 1.119 195 G CA 1.143 46.214 45.100 -0.047 0.000 0.751 195 G HN 0.437 nan 8.290 nan 0.000 0.574 196 W N 0.038 121.355 121.300 0.029 0.000 3.256 196 W HA 0.351 5.011 4.660 -0.000 0.000 0.269 196 W C 1.567 178.104 176.519 0.030 0.000 1.310 196 W CA -0.151 57.210 57.345 0.026 0.000 1.673 196 W CB -0.055 29.421 29.460 0.027 0.000 1.115 196 W HN 0.183 nan 8.180 nan 0.000 0.686 197 K N -0.593 119.934 120.400 0.213 0.000 9.127 197 K HA -0.340 3.980 4.320 -0.000 0.000 0.501 197 K C 0.289 176.966 176.600 0.128 0.000 0.371 197 K CA 2.426 58.796 56.287 0.138 0.000 1.951 197 K CB -1.600 30.968 32.500 0.113 0.000 0.721 197 K HN 0.430 nan 8.250 nan 0.000 1.023 198 N N -1.830 116.957 118.700 0.144 0.000 2.701 198 N HA 0.476 5.216 4.740 -0.000 0.000 0.290 198 N C 0.458 176.054 175.510 0.144 0.000 1.338 198 N CA -0.181 52.940 53.050 0.118 0.000 0.799 198 N CB 1.223 39.757 38.487 0.079 0.000 1.491 198 N HN 0.002 nan 8.380 nan 0.000 0.540 199 S N -1.564 114.215 115.700 0.133 0.000 2.428 199 S HA -0.035 4.435 4.470 -0.000 0.000 0.230 199 S C 1.758 176.434 174.600 0.127 0.000 1.014 199 S CA 0.645 58.945 58.200 0.166 0.000 0.957 199 S CB -0.932 62.423 63.200 0.259 0.000 0.784 199 S HN 0.734 nan 8.310 nan 0.000 0.499 200 A N 3.362 126.236 122.820 0.088 0.000 1.845 200 A HA -0.113 4.207 4.320 -0.000 0.000 0.215 200 A C 2.190 179.778 177.584 0.005 0.000 1.195 200 A CA 1.693 53.759 52.037 0.049 0.000 0.616 200 A CB -1.017 18.001 19.000 0.030 0.000 0.832 200 A HN 0.555 nan 8.150 nan 0.000 0.443 201 N N -0.131 118.571 118.700 0.003 0.000 2.104 201 N HA -0.118 4.622 4.740 -0.000 0.000 0.190 201 N C 1.776 177.173 175.510 -0.189 0.000 1.024 201 N CA 1.985 54.987 53.050 -0.080 0.000 0.853 201 N CB -1.052 37.424 38.487 -0.018 0.000 1.008 201 N HN 0.509 nan 8.380 nan 0.000 0.424 202 T N 2.083 116.637 114.554 -0.000 0.000 2.652 202 T HA -0.030 4.320 4.350 -0.000 0.000 0.267 202 T C 2.146 176.811 174.700 -0.059 0.000 1.039 202 T CA 0.762 62.907 62.100 0.075 0.000 1.153 202 T CB -0.344 68.732 68.868 0.346 0.000 0.863 202 T HN 0.140 nan 8.240 nan 0.000 0.428 203 L N 0.638 121.859 121.223 -0.004 0.000 2.131 203 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 203 L C 2.871 179.696 176.870 -0.075 0.000 1.092 203 L CA 1.113 55.944 54.840 -0.016 0.000 0.759 203 L CB -0.917 41.150 42.059 0.013 0.000 0.903 203 L HN 0.312 nan 8.230 nan 0.000 0.435 204 T N -0.261 114.221 114.554 -0.121 0.000 2.737 204 T HA -0.133 4.217 4.350 -0.000 0.000 0.265 204 T C 2.042 176.614 174.700 -0.213 0.000 1.038 204 T CA 1.261 63.276 62.100 -0.141 0.000 1.144 204 T CB -0.194 68.587 68.868 -0.145 0.000 0.866 204 T HN 0.442 nan 8.240 nan 0.000 0.434 205 A N 1.469 124.051 122.820 -0.396 0.000 1.883 205 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 205 A C 2.298 179.723 177.584 -0.266 0.000 1.186 205 A CA 1.250 52.969 52.037 -0.530 0.000 0.624 205 A CB -0.934 17.235 19.000 -1.385 0.000 0.822 205 A HN 0.480 nan 8.150 nan 0.000 0.444 206 L N -0.155 120.967 121.223 -0.168 0.000 2.127 206 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 206 L C 2.798 179.668 176.870 0.000 0.000 1.089 206 L CA 1.744 56.577 54.840 -0.013 0.000 0.757 206 L CB -0.621 41.464 42.059 0.044 0.000 0.899 206 L HN 0.602 nan 8.230 nan 0.000 0.434 207 R N -0.555 119.930 120.500 -0.025 0.000 2.189 207 R HA -0.056 4.284 4.340 -0.000 0.000 0.223 207 R C 1.628 177.942 176.300 0.024 0.000 1.092 207 R CA 1.410 57.509 56.100 -0.001 0.000 0.989 207 R CB -0.536 29.753 30.300 -0.019 0.000 0.876 207 R HN 0.121 nan 8.270 nan 0.000 0.457 208 S N 0.545 116.252 115.700 0.012 0.000 2.605 208 S HA 0.263 4.733 4.470 -0.000 0.000 0.217 208 S C 1.007 175.690 174.600 0.139 0.000 0.958 208 S CA 0.051 58.289 58.200 0.063 0.000 0.919 208 S CB 0.259 63.463 63.200 0.008 0.000 0.780 208 S HN 0.278 nan 8.310 nan 0.000 0.507 209 L N 0.007 121.284 121.223 0.090 0.000 3.184 209 L HA 0.335 4.675 4.340 -0.000 0.000 0.283 209 L C 2.030 178.907 176.870 0.012 0.000 1.218 209 L CA -0.074 54.780 54.840 0.023 0.000 1.028 209 L CB 0.056 42.136 42.059 0.035 0.000 1.400 209 L HN 0.333 nan 8.230 nan 0.000 0.591 210 G N 0.295 109.161 108.800 0.111 0.000 2.422 210 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 210 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 210 G C 1.404 176.360 174.900 0.093 0.000 1.140 210 G CA 0.792 45.948 45.100 0.093 0.000 0.775 210 G HN 0.570 nan 8.290 nan 0.000 0.545 211 H N 0.038 119.111 119.070 0.006 0.000 2.551 211 H HA 0.213 4.769 4.556 -0.000 0.000 0.266 211 H C 1.937 177.267 175.328 0.003 0.000 0.964 211 H CA 0.015 56.065 56.048 0.004 0.000 1.180 211 H CB -0.457 29.305 29.762 -0.001 0.000 1.408 211 H HN 0.323 nan 8.280 nan 0.000 0.563 212 L N 0.473 121.388 121.223 -0.513 0.000 2.599 212 L HA -0.011 4.329 4.340 -0.000 0.000 0.230 212 L C 0.584 177.362 176.870 -0.154 0.000 1.141 212 L CA 0.173 54.796 54.840 -0.362 0.000 0.877 212 L CB -0.466 41.364 42.059 -0.382 0.000 1.009 212 L HN 0.237 nan 8.230 nan 0.000 0.447 213 N N 1.498 120.143 118.700 -0.092 0.000 2.708 213 N HA -0.191 4.548 4.740 -0.000 0.000 0.255 213 N C -0.539 174.941 175.510 -0.051 0.000 1.046 213 N CA 0.323 53.347 53.050 -0.044 0.000 0.715 213 N CB -0.614 37.855 38.487 -0.031 0.000 0.895 213 N HN 0.127 nan 8.380 nan 0.000 0.545 214 I N 1.438 121.979 120.570 -0.048 0.000 2.441 214 I HA 0.075 4.245 4.170 -0.000 0.000 0.287 214 I C 1.716 177.806 176.117 -0.046 0.000 1.049 214 I CA -0.276 60.984 61.300 -0.066 0.000 1.381 214 I CB 0.851 38.824 38.000 -0.046 0.000 1.409 214 I HN 0.080 nan 8.210 nan 0.000 0.523 215 D N 4.533 124.851 120.400 -0.136 0.000 2.123 215 D HA -0.099 4.541 4.640 -0.000 0.000 0.196 215 D C -0.437 175.965 176.300 0.171 0.000 0.992 215 D CA 1.986 55.938 54.000 -0.080 0.000 0.833 215 D CB 0.062 40.621 40.800 -0.401 0.000 0.954 215 D HN 0.594 nan 8.370 nan 0.000 0.455 216 W N -1.658 119.651 121.300 0.014 0.000 3.173 216 W HA 0.476 5.136 4.660 -0.000 0.000 0.313 216 W C -2.085 174.438 176.519 0.007 0.000 1.228 216 W CA -1.092 56.261 57.345 0.013 0.000 1.185 216 W CB -0.042 29.422 29.460 0.007 0.000 1.390 216 W HN -0.378 nan 8.180 nan 0.000 0.568 217 I N 2.504 123.268 120.570 0.324 0.000 2.336 217 I HA 0.304 4.474 4.170 -0.000 0.000 0.292 217 I C 0.059 176.305 176.117 0.215 0.000 0.991 217 I CA -0.795 60.620 61.300 0.192 0.000 1.227 217 I CB 1.611 39.707 38.000 0.159 0.000 1.366 217 I HN 0.521 nan 8.210 nan 0.000 0.466 218 E N 4.780 125.066 120.200 0.143 0.000 2.166 218 E HA 0.264 4.614 4.350 -0.000 0.000 0.275 218 E C -0.500 176.088 176.600 -0.020 0.000 0.941 218 E CA -0.846 55.617 56.400 0.105 0.000 0.784 218 E CB 0.834 30.629 29.700 0.158 0.000 1.115 218 E HN 0.435 nan 8.360 nan 0.000 0.399 219 Q N 3.871 123.668 119.800 -0.006 0.000 2.410 219 Q HA -0.166 4.174 4.340 -0.000 0.000 0.369 219 Q C -1.986 173.965 176.000 -0.083 0.000 1.342 219 Q CA 0.675 56.466 55.803 -0.021 0.000 1.133 219 Q CB -0.136 28.601 28.738 -0.001 0.000 1.288 219 Q HN 0.475 nan 8.270 nan 0.000 0.320 220 P HA -0.055 nan 4.420 nan 0.000 0.224 220 P C 0.478 177.781 177.300 0.005 0.000 1.157 220 P CA 1.251 64.266 63.100 -0.142 0.000 0.799 220 P CB 0.134 31.868 31.700 0.056 0.000 0.809 221 V N -1.877 118.072 119.914 0.059 0.000 3.193 221 V HA 0.456 4.575 4.120 -0.000 0.000 0.320 221 V C 0.742 176.869 176.094 0.056 0.000 1.112 221 V CA -1.856 60.495 62.300 0.085 0.000 1.026 221 V CB 0.887 32.770 31.823 0.101 0.000 1.128 221 V HN -0.012 nan 8.190 nan 0.000 0.452 222 I N 0.192 120.798 120.570 0.060 0.000 2.775 222 I HA 0.410 4.580 4.170 -0.000 0.000 0.290 222 I C 1.668 177.808 176.117 0.038 0.000 1.203 222 I CA 0.400 61.728 61.300 0.046 0.000 1.433 222 I CB 0.293 38.318 38.000 0.043 0.000 1.354 222 I HN 0.927 nan 8.210 nan 0.000 0.579 223 A N 4.265 127.103 122.820 0.031 0.000 1.896 223 A HA -0.270 4.050 4.320 -0.000 0.000 0.220 223 A C 1.759 179.359 177.584 0.027 0.000 1.206 223 A CA 2.400 54.453 52.037 0.027 0.000 0.647 223 A CB -0.854 18.157 19.000 0.019 0.000 0.828 223 A HN 0.933 nan 8.150 nan 0.000 0.455 224 D N -0.017 120.398 120.400 0.026 0.000 2.309 224 D HA -0.050 4.590 4.640 -0.000 0.000 0.212 224 D C 0.175 176.492 176.300 0.029 0.000 0.968 224 D CA 0.779 54.795 54.000 0.026 0.000 0.882 224 D CB -0.251 40.564 40.800 0.025 0.000 0.918 224 D HN 0.349 nan 8.370 nan 0.000 0.503 225 D N 0.398 120.818 120.400 0.033 0.000 2.563 225 D HA 0.113 4.752 4.640 -0.000 0.000 0.222 225 D C 1.375 177.700 176.300 0.041 0.000 1.145 225 D CA -0.175 53.847 54.000 0.037 0.000 1.001 225 D CB -0.070 40.755 40.800 0.043 0.000 1.049 225 D HN 0.127 nan 8.370 nan 0.000 0.515 226 I N 0.902 121.493 120.570 0.035 0.000 2.439 226 I HA -0.183 3.987 4.170 -0.000 0.000 0.251 226 I C 1.786 177.930 176.117 0.044 0.000 1.139 226 I CA 0.521 61.842 61.300 0.035 0.000 1.438 226 I CB 0.181 38.196 38.000 0.026 0.000 1.085 226 I HN 0.203 nan 8.210 nan 0.000 0.427 227 D N 1.390 121.816 120.400 0.043 0.000 2.123 227 D HA -0.188 4.452 4.640 -0.000 0.000 0.196 227 D C 2.262 178.610 176.300 0.080 0.000 0.992 227 D CA 1.709 55.739 54.000 0.051 0.000 0.833 227 D CB 0.042 40.862 40.800 0.033 0.000 0.954 227 D HN 0.357 nan 8.370 nan 0.000 0.455 228 A N 0.868 123.733 122.820 0.076 0.000 1.902 228 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 228 A C 2.137 179.801 177.584 0.132 0.000 1.181 228 A CA 1.466 53.569 52.037 0.110 0.000 0.623 228 A CB -0.464 18.590 19.000 0.090 0.000 0.818 228 A HN 0.098 nan 8.150 nan 0.000 0.443 229 M N 0.013 119.669 119.600 0.093 0.000 2.080 229 M HA -0.082 4.398 4.480 -0.000 0.000 0.260 229 M C 2.254 178.598 176.300 0.073 0.000 1.068 229 M CA 1.673 57.020 55.300 0.078 0.000 1.109 229 M CB -0.686 31.946 32.600 0.053 0.000 1.342 229 M HN 0.417 nan 8.290 nan 0.000 0.405 230 A N -1.691 121.174 122.820 0.074 0.000 1.930 230 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 230 A C 2.268 179.900 177.584 0.080 0.000 1.175 230 A CA 1.855 53.930 52.037 0.064 0.000 0.627 230 A CB -1.213 17.823 19.000 0.061 0.000 0.815 230 A HN 0.722 nan 8.150 nan 0.000 0.443 231 H N -0.164 118.924 119.070 0.030 0.000 2.357 231 H HA -0.048 4.508 4.556 -0.000 0.000 0.301 231 H C 1.966 177.315 175.328 0.036 0.000 1.082 231 H CA 1.797 57.863 56.048 0.030 0.000 1.342 231 H CB -0.057 29.723 29.762 0.030 0.000 1.389 231 H HN 0.468 nan 8.280 nan 0.000 0.511 232 I N 0.521 121.098 120.570 0.010 0.000 2.179 232 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 232 I C 2.924 179.014 176.117 -0.045 0.000 1.088 232 I CA 1.330 62.618 61.300 -0.020 0.000 1.357 232 I CB -0.327 37.721 38.000 0.079 0.000 1.051 232 I HN 0.166 nan 8.210 nan 0.000 0.409 233 R N 1.013 121.507 120.500 -0.009 0.000 2.159 233 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 233 R C 2.377 178.657 176.300 -0.033 0.000 1.131 233 R CA 1.719 57.815 56.100 -0.006 0.000 0.982 233 R CB -0.160 30.146 30.300 0.009 0.000 0.868 233 R HN 0.486 nan 8.270 nan 0.000 0.453 234 S N -0.537 115.119 115.700 -0.074 0.000 2.489 234 S HA -0.013 4.457 4.470 -0.000 0.000 0.228 234 S C 1.180 175.721 174.600 -0.099 0.000 0.995 234 S CA 0.599 58.751 58.200 -0.080 0.000 0.934 234 S CB 0.206 63.352 63.200 -0.091 0.000 0.771 234 S HN 0.325 nan 8.310 nan 0.000 0.522 235 K N 0.678 120.999 120.400 -0.132 0.000 2.478 235 K HA 0.268 4.588 4.320 -0.000 0.000 0.205 235 K C -0.260 176.311 176.600 -0.048 0.000 1.033 235 K CA -0.026 56.199 56.287 -0.102 0.000 1.091 235 K CB 1.127 33.531 32.500 -0.160 0.000 0.844 235 K HN 0.303 nan 8.250 nan 0.000 0.507 236 T N 0.618 115.157 114.554 -0.024 0.000 2.900 236 T HA 0.133 4.483 4.350 -0.000 0.000 0.303 236 T C -1.080 173.631 174.700 0.018 0.000 1.142 236 T CA -0.682 61.422 62.100 0.006 0.000 1.007 236 T CB 1.524 70.408 68.868 0.027 0.000 1.156 236 T HN 0.196 nan 8.240 nan 0.000 0.490 237 D N 2.479 122.896 120.400 0.029 0.000 2.395 237 D HA 0.210 4.850 4.640 -0.000 0.000 0.213 237 D C 0.409 176.739 176.300 0.051 0.000 1.110 237 D CA -0.157 53.863 54.000 0.034 0.000 0.835 237 D CB -0.169 40.649 40.800 0.030 0.000 0.965 237 D HN 0.345 nan 8.370 nan 0.000 0.505 238 L N 1.056 122.317 121.223 0.063 0.000 2.331 238 L HA 0.367 4.707 4.340 -0.000 0.000 0.278 238 L C -2.117 174.815 176.870 0.102 0.000 1.106 238 L CA -1.963 52.930 54.840 0.089 0.000 0.824 238 L CB 1.028 43.148 42.059 0.101 0.000 1.142 238 L HN -0.248 nan 8.230 nan 0.000 0.443 239 P HA 0.128 nan 4.420 nan 0.000 0.268 239 P C -1.000 176.384 177.300 0.140 0.000 1.205 239 P CA 0.112 63.287 63.100 0.125 0.000 0.771 239 P CB 0.535 32.340 31.700 0.176 0.000 0.858 240 L N 3.056 124.318 121.223 0.065 0.000 2.346 240 L HA 0.623 4.963 4.340 -0.000 0.000 0.276 240 L C 0.061 176.909 176.870 -0.036 0.000 1.006 240 L CA -0.646 54.226 54.840 0.053 0.000 0.817 240 L CB 1.704 43.791 42.059 0.047 0.000 1.272 240 L HN 0.342 nan 8.230 nan 0.000 0.421 241 M N 3.870 123.448 119.600 -0.036 0.000 2.393 241 M HA 0.572 5.052 4.480 -0.000 0.000 0.316 241 M C -1.530 174.739 176.300 -0.052 0.000 1.087 241 M CA -0.439 54.782 55.300 -0.132 0.000 0.937 241 M CB 2.005 34.441 32.600 -0.273 0.000 1.668 241 M HN 0.491 nan 8.290 nan 0.000 0.438 242 I N 3.758 124.290 120.570 -0.062 0.000 2.377 242 I HA 0.239 4.409 4.170 -0.000 0.000 0.293 242 I C -0.245 175.855 176.117 -0.029 0.000 0.987 242 I CA -0.206 61.077 61.300 -0.029 0.000 1.185 242 I CB 1.593 39.579 38.000 -0.022 0.000 1.341 242 I HN 0.800 nan 8.210 nan 0.000 0.455 243 D N 3.169 123.567 120.400 -0.005 0.000 3.013 243 D HA 0.002 4.642 4.640 -0.000 0.000 0.235 243 D C 1.404 177.714 176.300 0.017 0.000 1.540 243 D CA 0.535 54.538 54.000 0.005 0.000 1.303 243 D CB 0.196 41.011 40.800 0.026 0.000 0.980 243 D HN 0.440 nan 8.370 nan 0.000 0.250 244 E N 0.060 120.283 120.200 0.038 0.000 2.267 244 E HA 0.005 4.355 4.350 -0.000 0.000 0.197 244 E C 1.783 178.397 176.600 0.024 0.000 0.998 244 E CA 1.162 57.586 56.400 0.040 0.000 0.830 244 E CB -0.409 29.325 29.700 0.057 0.000 0.751 244 E HN 0.418 nan 8.360 nan 0.000 0.491 245 G N -0.003 108.808 108.800 0.019 0.000 2.598 245 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.215 245 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.215 245 G C 0.197 175.101 174.900 0.007 0.000 1.131 245 G CA -0.032 45.077 45.100 0.015 0.000 0.785 245 G HN 0.149 nan 8.290 nan 0.000 0.539 246 L N -0.761 120.462 121.223 0.000 0.000 2.325 246 L HA 0.615 4.955 4.340 -0.000 0.000 0.281 246 L C 0.367 177.231 176.870 -0.010 0.000 1.004 246 L CA -0.617 54.218 54.840 -0.009 0.000 0.823 246 L CB 1.672 43.717 42.059 -0.022 0.000 1.236 246 L HN -0.029 nan 8.230 nan 0.000 0.415 247 K N 1.922 122.315 120.400 -0.012 0.000 2.524 247 K HA 0.345 4.665 4.320 -0.000 0.000 0.210 247 K C 0.205 176.787 176.600 -0.030 0.000 1.340 247 K CA 0.442 56.719 56.287 -0.016 0.000 0.880 247 K CB 0.579 33.073 32.500 -0.011 0.000 1.616 247 K HN 0.693 nan 8.250 nan 0.000 0.457 248 S N -0.402 115.278 115.700 -0.033 0.000 2.806 248 S HA 0.282 4.752 4.470 -0.000 0.000 0.315 248 S C 0.844 175.422 174.600 -0.037 0.000 1.127 248 S CA -0.658 57.516 58.200 -0.045 0.000 0.918 248 S CB 1.601 64.766 63.200 -0.059 0.000 1.240 248 S HN 0.020 nan 8.310 nan 0.000 0.552 249 S N 0.326 116.001 115.700 -0.042 0.000 2.440 249 S HA -0.113 4.357 4.470 -0.000 0.000 0.238 249 S C 1.862 176.454 174.600 -0.014 0.000 1.010 249 S CA 1.178 59.359 58.200 -0.033 0.000 0.972 249 S CB -0.599 62.578 63.200 -0.037 0.000 0.774 249 S HN 0.685 nan 8.310 nan 0.000 0.501 250 R N 1.616 122.112 120.500 -0.006 0.000 2.083 250 R HA -0.148 4.192 4.340 -0.000 0.000 0.237 250 R C 1.959 178.265 176.300 0.011 0.000 1.137 250 R CA 1.778 57.886 56.100 0.013 0.000 0.951 250 R CB -0.183 30.135 30.300 0.030 0.000 0.851 250 R HN 0.466 nan 8.270 nan 0.000 0.434 251 E N 0.232 120.434 120.200 0.004 0.000 2.299 251 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 251 E C 1.851 178.449 176.600 -0.003 0.000 0.998 251 E CA 0.471 56.874 56.400 0.005 0.000 0.851 251 E CB -0.440 29.263 29.700 0.005 0.000 0.795 251 E HN 0.283 nan 8.360 nan 0.000 0.492 252 M N 2.076 121.669 119.600 -0.012 0.000 2.117 252 M HA -0.120 4.360 4.480 -0.000 0.000 0.262 252 M C 2.385 178.678 176.300 -0.010 0.000 1.065 252 M CA 1.678 56.968 55.300 -0.017 0.000 1.114 252 M CB -0.313 32.271 32.600 -0.027 0.000 1.361 252 M HN 0.023 nan 8.290 nan 0.000 0.408 253 R N -0.618 119.879 120.500 -0.006 0.000 2.091 253 R HA -0.231 4.109 4.340 -0.000 0.000 0.238 253 R C 2.385 178.687 176.300 0.003 0.000 1.136 253 R CA 2.221 58.321 56.100 -0.001 0.000 0.959 253 R CB -0.479 29.823 30.300 0.004 0.000 0.856 253 R HN 0.677 nan 8.270 nan 0.000 0.437 254 Q N 0.253 120.057 119.800 0.006 0.000 2.119 254 Q HA -0.129 4.211 4.340 -0.000 0.000 0.201 254 Q C 2.120 178.124 176.000 0.007 0.000 0.972 254 Q CA 1.584 57.392 55.803 0.009 0.000 0.847 254 Q CB -0.016 28.730 28.738 0.013 0.000 0.903 254 Q HN 0.458 nan 8.270 nan 0.000 0.433 255 I N 0.343 120.914 120.570 0.002 0.000 2.226 255 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 255 I C 2.101 178.217 176.117 -0.003 0.000 1.100 255 I CA 1.004 62.304 61.300 -0.001 0.000 1.374 255 I CB -0.170 37.824 38.000 -0.010 0.000 1.057 255 I HN 0.275 nan 8.210 nan 0.000 0.413 256 I N 0.465 121.033 120.570 -0.005 0.000 2.202 256 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 256 I C 2.587 178.704 176.117 0.000 0.000 1.091 256 I CA 1.109 62.406 61.300 -0.005 0.000 1.368 256 I CB -0.266 37.730 38.000 -0.006 0.000 1.058 256 I HN 0.115 nan 8.210 nan 0.000 0.410 257 K N 1.586 121.989 120.400 0.003 0.000 2.057 257 K HA -0.104 4.216 4.320 -0.000 0.000 0.207 257 K C 1.750 178.356 176.600 0.010 0.000 1.049 257 K CA 1.727 58.018 56.287 0.007 0.000 0.931 257 K CB -0.308 32.197 32.500 0.009 0.000 0.714 257 K HN 0.268 nan 8.250 nan 0.000 0.440 258 L N 0.523 121.753 121.223 0.012 0.000 2.592 258 L HA 0.164 4.504 4.340 -0.000 0.000 0.227 258 L C -0.241 176.639 176.870 0.017 0.000 1.127 258 L CA 0.103 54.954 54.840 0.018 0.000 0.884 258 L CB -0.340 41.732 42.059 0.023 0.000 1.065 258 L HN 0.252 nan 8.230 nan 0.000 0.457 259 E N -0.126 120.079 120.200 0.009 0.000 2.320 259 E HA -0.270 4.080 4.350 -0.000 0.000 0.234 259 E C 1.021 177.627 176.600 0.009 0.000 1.183 259 E CA 0.292 56.695 56.400 0.006 0.000 0.713 259 E CB -0.950 28.755 29.700 0.007 0.000 1.226 259 E HN 0.582 nan 8.360 nan 0.000 0.382 260 A N -0.230 122.596 122.820 0.009 0.000 2.208 260 A HA 0.462 4.782 4.320 -0.000 0.000 0.209 260 A C 0.842 178.429 177.584 0.006 0.000 1.161 260 A CA 1.109 53.155 52.037 0.015 0.000 0.782 260 A CB 0.464 19.476 19.000 0.019 0.000 0.816 260 A HN 0.584 nan 8.150 nan 0.000 0.477 261 A N -1.339 121.476 122.820 -0.008 0.000 2.612 261 A HA 0.546 4.866 4.320 -0.000 0.000 0.293 261 A C -0.428 177.133 177.584 -0.039 0.000 1.075 261 A CA -0.246 51.777 52.037 -0.023 0.000 0.680 261 A CB 0.451 19.429 19.000 -0.037 0.000 1.279 261 A HN 0.002 nan 8.150 nan 0.000 0.411 262 D N 0.380 120.748 120.400 -0.053 0.000 2.271 262 D HA 0.084 4.724 4.640 -0.000 0.000 0.206 262 D C 0.062 176.290 176.300 -0.121 0.000 0.967 262 D CA 1.220 55.180 54.000 -0.067 0.000 0.867 262 D CB 0.379 41.149 40.800 -0.050 0.000 0.960 262 D HN 0.626 nan 8.370 nan 0.000 0.509 263 K N 0.133 120.432 120.400 -0.169 0.000 2.556 263 K HA 0.513 4.833 4.320 -0.000 0.000 0.274 263 K C -0.773 175.705 176.600 -0.202 0.000 0.966 263 K CA -0.901 55.249 56.287 -0.228 0.000 0.865 263 K CB 2.640 34.898 32.500 -0.404 0.000 1.444 263 K HN -0.160 nan 8.250 nan 0.000 0.433 264 V N -1.561 118.246 119.914 -0.178 0.000 2.864 264 V HA 0.556 4.676 4.120 -0.000 0.000 0.314 264 V C -0.845 175.165 176.094 -0.139 0.000 1.073 264 V CA -0.863 61.358 62.300 -0.133 0.000 0.956 264 V CB 1.772 33.540 31.823 -0.090 0.000 1.023 264 V HN 0.867 nan 8.190 nan 0.000 0.435 265 N N 2.775 121.415 118.700 -0.101 0.000 2.546 265 N HA 0.470 5.210 4.740 -0.000 0.000 0.238 265 N C -0.832 174.639 175.510 -0.065 0.000 0.984 265 N CA -0.455 52.545 53.050 -0.082 0.000 0.935 265 N CB 0.592 39.051 38.487 -0.046 0.000 1.122 265 N HN 0.815 nan 8.380 nan 0.000 0.510 266 I N 2.702 123.226 120.570 -0.077 0.000 2.395 266 I HA 0.218 4.388 4.170 -0.000 0.000 0.289 266 I C 0.397 176.474 176.117 -0.066 0.000 1.023 266 I CA -0.226 61.032 61.300 -0.069 0.000 1.350 266 I CB 0.806 38.758 38.000 -0.079 0.000 1.409 266 I HN 0.146 nan 8.210 nan 0.000 0.507 267 K N 6.317 126.688 120.400 -0.049 0.000 2.471 267 K HA 0.400 4.720 4.320 -0.000 0.000 0.252 267 K C 0.519 177.101 176.600 -0.029 0.000 0.938 267 K CA -0.741 55.520 56.287 -0.044 0.000 0.796 267 K CB 2.530 35.015 32.500 -0.025 0.000 1.161 267 K HN 0.529 nan 8.250 nan 0.000 0.425 268 L N 1.680 122.886 121.223 -0.029 0.000 2.081 268 L HA -0.222 4.117 4.340 -0.000 0.000 0.212 268 L C 1.833 178.714 176.870 0.019 0.000 1.080 268 L CA 1.352 56.191 54.840 -0.002 0.000 0.754 268 L CB -0.394 41.668 42.059 0.006 0.000 0.893 268 L HN 0.719 nan 8.230 nan 0.000 0.433 269 M N -0.453 119.158 119.600 0.017 0.000 2.460 269 M HA -0.124 4.356 4.480 -0.000 0.000 0.263 269 M C 1.904 178.220 176.300 0.027 0.000 1.071 269 M CA 1.453 56.772 55.300 0.032 0.000 1.096 269 M CB -0.786 31.835 32.600 0.035 0.000 1.408 269 M HN 0.233 nan 8.290 nan 0.000 0.463 270 K N -0.575 119.833 120.400 0.013 0.000 2.323 270 K HA 0.026 4.346 4.320 -0.000 0.000 0.197 270 K C 1.776 178.373 176.600 -0.005 0.000 1.043 270 K CA 0.972 57.263 56.287 0.007 0.000 0.997 270 K CB 0.330 32.831 32.500 0.002 0.000 0.807 270 K HN 0.517 nan 8.250 nan 0.000 0.497 271 C N -2.314 116.983 119.300 -0.005 0.000 3.228 271 C HA 0.505 4.965 4.460 -0.000 0.000 0.290 271 C C 1.266 176.266 174.990 0.017 0.000 1.301 271 C CA -0.054 58.955 59.018 -0.014 0.000 1.703 271 C CB 0.002 27.719 27.740 -0.037 0.000 2.141 271 C HN 0.483 nan 8.230 nan 0.000 0.656 272 G N 0.058 108.892 108.800 0.056 0.000 2.135 272 G HA2 0.435 4.395 3.960 -0.000 0.000 0.183 272 G HA3 0.435 4.395 3.960 -0.000 0.000 0.183 272 G C 0.664 175.695 174.900 0.219 0.000 1.004 272 G CA 0.236 45.417 45.100 0.135 0.000 0.677 272 G HN 2.463 nan 8.290 nan 0.000 0.512 273 G N -1.234 107.647 108.800 0.135 0.000 2.483 273 G HA2 0.084 4.044 3.960 -0.000 0.000 0.521 273 G HA3 0.084 4.044 3.960 -0.000 0.000 0.521 273 G C 0.869 175.827 174.900 0.097 0.000 1.278 273 G CA -0.082 45.111 45.100 0.155 0.000 0.965 273 G HN 0.940 nan 8.290 nan 0.000 0.504 274 I N -0.499 120.122 120.570 0.085 0.000 2.118 274 I HA -0.203 3.967 4.170 -0.000 0.000 0.241 274 I C 2.422 178.532 176.117 -0.012 0.000 1.070 274 I CA 2.443 63.692 61.300 -0.086 0.000 1.327 274 I CB -0.388 37.317 38.000 -0.493 0.000 1.034 274 I HN 0.554 nan 8.210 nan 0.000 0.405 275 Y N 1.622 121.943 120.300 0.035 0.000 2.097 275 Y HA -0.225 4.325 4.550 -0.000 0.000 0.282 275 Y C -0.361 175.456 175.900 -0.137 0.000 1.152 275 Y CA 1.736 59.845 58.100 0.014 0.000 1.136 275 Y CB -1.147 37.367 38.460 0.090 0.000 0.975 275 Y HN 0.136 nan 8.280 nan 0.000 0.498 276 P HA -0.172 nan 4.420 nan 0.000 0.218 276 P C 1.155 178.343 177.300 -0.187 0.000 1.149 276 P CA 2.153 65.115 63.100 -0.231 0.000 0.817 276 P CB -0.203 31.413 31.700 -0.140 0.000 0.785 277 A N -0.595 122.147 122.820 -0.130 0.000 1.930 277 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 277 A C 2.305 179.777 177.584 -0.188 0.000 1.175 277 A CA 1.607 53.568 52.037 -0.127 0.000 0.627 277 A CB -1.678 17.269 19.000 -0.088 0.000 0.815 277 A HN 0.024 nan 8.150 nan 0.000 0.443 278 V N 0.199 119.970 119.914 -0.238 0.000 2.343 278 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 278 V C 2.436 178.193 176.094 -0.563 0.000 1.051 278 V CA 2.332 64.407 62.300 -0.375 0.000 1.036 278 V CB -0.640 30.994 31.823 -0.316 0.000 0.654 278 V HN 0.546 nan 8.190 nan 0.000 0.451 279 K N -0.285 119.851 120.400 -0.440 0.000 2.097 279 K HA -0.109 4.211 4.320 -0.000 0.000 0.206 279 K C 2.110 178.588 176.600 -0.203 0.000 1.049 279 K CA 1.274 57.363 56.287 -0.331 0.000 0.933 279 K CB -0.284 32.032 32.500 -0.307 0.000 0.717 279 K HN 0.361 nan 8.250 nan 0.000 0.442 280 L N 0.447 121.559 121.223 -0.184 0.000 2.046 280 L HA -0.190 4.149 4.340 -0.000 0.000 0.208 280 L C 2.589 179.401 176.870 -0.098 0.000 1.077 280 L CA 1.096 55.866 54.840 -0.116 0.000 0.747 280 L CB -0.569 41.428 42.059 -0.104 0.000 0.896 280 L HN 0.216 nan 8.230 nan 0.000 0.432 281 A N -0.682 122.054 122.820 -0.140 0.000 1.902 281 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 281 A C 1.986 179.576 177.584 0.010 0.000 1.181 281 A CA 1.626 53.611 52.037 -0.087 0.000 0.623 281 A CB -0.936 17.994 19.000 -0.118 0.000 0.818 281 A HN 0.507 nan 8.150 nan 0.000 0.443 282 H N -1.163 117.869 119.070 -0.064 0.000 2.389 282 H HA -0.104 4.452 4.556 -0.000 0.000 0.299 282 H C 2.410 177.706 175.328 -0.053 0.000 1.081 282 H CA 1.292 57.305 56.048 -0.058 0.000 1.345 282 H CB 0.077 29.802 29.762 -0.062 0.000 1.393 282 H HN 0.607 nan 8.280 nan 0.000 0.520 283 Q N 0.450 120.289 119.800 0.065 0.000 2.046 283 Q HA -0.083 4.257 4.340 -0.000 0.000 0.200 283 Q C 2.666 178.666 176.000 0.001 0.000 0.975 283 Q CA 1.077 56.890 55.803 0.017 0.000 0.836 283 Q CB -0.010 28.722 28.738 -0.011 0.000 0.896 283 Q HN 0.440 nan 8.270 nan 0.000 0.428 284 A N 1.074 123.888 122.820 -0.010 0.000 1.940 284 A HA -0.279 4.040 4.320 -0.000 0.000 0.219 284 A C 1.911 179.485 177.584 -0.016 0.000 1.176 284 A CA 1.719 53.742 52.037 -0.022 0.000 0.631 284 A CB -0.557 18.420 19.000 -0.038 0.000 0.814 284 A HN 0.459 nan 8.150 nan 0.000 0.446 285 E N -0.634 119.565 120.200 -0.000 0.000 2.110 285 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 285 E C 1.975 178.568 176.600 -0.012 0.000 0.988 285 E CA 1.386 57.782 56.400 -0.005 0.000 0.804 285 E CB -0.227 29.478 29.700 0.008 0.000 0.745 285 E HN 0.678 nan 8.360 nan 0.000 0.458 286 M N -0.111 119.484 119.600 -0.008 0.000 2.202 286 M HA -0.124 4.356 4.480 -0.000 0.000 0.262 286 M C 1.658 177.950 176.300 -0.013 0.000 1.063 286 M CA 1.882 57.174 55.300 -0.013 0.000 1.097 286 M CB 0.047 32.642 32.600 -0.009 0.000 1.382 286 M HN 0.189 nan 8.290 nan 0.000 0.413 287 A N -0.562 122.250 122.820 -0.013 0.000 2.348 287 A HA 0.432 4.752 4.320 -0.000 0.000 0.224 287 A C 1.335 178.909 177.584 -0.017 0.000 1.227 287 A CA 0.495 52.524 52.037 -0.014 0.000 0.885 287 A CB -0.545 18.447 19.000 -0.014 0.000 0.933 287 A HN 0.772 nan 8.150 nan 0.000 0.506 288 G N -0.088 108.701 108.800 -0.019 0.000 2.221 288 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.265 288 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.265 288 G C -0.017 174.865 174.900 -0.029 0.000 1.041 288 G CA 0.416 45.503 45.100 -0.021 0.000 0.807 288 G HN 0.500 nan 8.290 nan 0.000 0.502 289 I N 0.872 121.421 120.570 -0.035 0.000 2.315 289 I HA 0.227 4.396 4.170 -0.000 0.000 0.291 289 I C 0.790 176.868 176.117 -0.065 0.000 1.006 289 I CA -0.559 60.710 61.300 -0.052 0.000 1.265 289 I CB 0.866 38.835 38.000 -0.052 0.000 1.387 289 I HN 0.169 nan 8.210 nan 0.000 0.475 290 E N 4.899 125.048 120.200 -0.086 0.000 2.373 290 E HA 0.214 4.564 4.350 -0.000 0.000 0.267 290 E C -0.930 175.592 176.600 -0.130 0.000 1.032 290 E CA -0.329 56.012 56.400 -0.099 0.000 0.889 290 E CB 1.101 30.730 29.700 -0.118 0.000 0.984 290 E HN 0.547 nan 8.360 nan 0.000 0.425 291 C N 1.837 121.075 119.300 -0.104 0.000 2.562 291 C HA 0.471 4.931 4.460 -0.000 0.000 0.332 291 C C -0.105 174.810 174.990 -0.125 0.000 1.201 291 C CA -0.611 58.338 59.018 -0.114 0.000 1.803 291 C CB 1.260 28.954 27.740 -0.077 0.000 2.328 291 C HN 0.754 nan 8.230 nan 0.000 0.500 292 Q N 0.641 120.357 119.800 -0.140 0.000 2.397 292 Q HA 0.692 5.032 4.340 -0.000 0.000 0.275 292 Q C -1.956 173.967 176.000 -0.129 0.000 1.090 292 Q CA -0.363 55.358 55.803 -0.137 0.000 0.809 292 Q CB 1.992 30.648 28.738 -0.135 0.000 1.362 292 Q HN 0.611 nan 8.270 nan 0.000 0.431 293 V N 3.381 123.199 119.914 -0.161 0.000 2.328 293 V HA 0.599 4.719 4.120 -0.000 0.000 0.278 293 V C 0.468 176.459 176.094 -0.171 0.000 1.021 293 V CA -0.041 62.162 62.300 -0.162 0.000 0.838 293 V CB 0.714 32.425 31.823 -0.188 0.000 0.999 293 V HN 0.870 nan 8.190 nan 0.000 0.447 294 G N 3.471 112.197 108.800 -0.123 0.000 2.857 294 G HA2 0.868 4.828 3.960 -0.000 0.000 0.217 294 G HA3 0.868 4.828 3.960 -0.000 0.000 0.217 294 G C -0.261 174.568 174.900 -0.118 0.000 1.357 294 G CA 0.166 45.203 45.100 -0.106 0.000 1.033 294 G HN 1.065 nan 8.290 nan 0.000 0.571 295 S N -2.243 113.404 115.700 -0.089 0.000 2.663 295 S HA 0.516 4.986 4.470 -0.000 0.000 0.264 295 S C -0.888 173.672 174.600 -0.066 0.000 1.112 295 S CA -0.819 57.330 58.200 -0.084 0.000 0.823 295 S CB 0.927 64.053 63.200 -0.123 0.000 1.111 295 S HN 0.501 nan 8.310 nan 0.000 0.476 296 M N 1.306 120.872 119.600 -0.057 0.000 2.369 296 M HA 0.465 4.945 4.480 -0.000 0.000 0.291 296 M C -0.033 176.188 176.300 -0.132 0.000 1.178 296 M CA -0.954 54.307 55.300 -0.066 0.000 0.996 296 M CB 0.567 33.152 32.600 -0.025 0.000 1.472 296 M HN 0.620 nan 8.290 nan 0.000 0.496 297 V N 2.056 121.840 119.914 -0.218 0.000 2.390 297 V HA 0.017 4.137 4.120 -0.000 0.000 0.260 297 V C 0.267 176.383 176.094 0.036 0.000 1.043 297 V CA 0.121 62.265 62.300 -0.259 0.000 1.047 297 V CB -1.397 30.159 31.823 -0.445 0.000 1.066 297 V HN 0.676 nan 8.190 nan 0.000 0.481 298 E N 2.780 123.017 120.200 0.061 0.000 2.263 298 E HA 0.562 4.912 4.350 -0.000 0.000 0.264 298 E C 0.050 176.859 176.600 0.348 0.000 0.923 298 E CA -0.624 55.884 56.400 0.179 0.000 0.802 298 E CB 1.777 31.517 29.700 0.067 0.000 1.228 298 E HN 0.685 nan 8.360 nan 0.000 0.417 299 S N 0.407 116.256 115.700 0.248 0.000 2.633 299 S HA 0.066 4.535 4.470 -0.000 0.000 0.257 299 S C 1.005 175.717 174.600 0.188 0.000 1.265 299 S CA -0.170 58.160 58.200 0.216 0.000 0.980 299 S CB 1.033 64.246 63.200 0.021 0.000 1.017 299 S HN 0.414 nan 8.310 nan 0.000 0.577 300 S N -0.065 115.735 115.700 0.167 0.000 2.400 300 S HA -0.097 4.373 4.470 -0.000 0.000 0.232 300 S C 1.864 176.546 174.600 0.137 0.000 1.025 300 S CA 1.176 59.480 58.200 0.173 0.000 0.993 300 S CB -0.764 62.519 63.200 0.139 0.000 0.808 300 S HN 0.526 nan 8.310 nan 0.000 0.478 301 V N 1.877 121.847 119.914 0.093 0.000 2.220 301 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 301 V C 2.665 178.822 176.094 0.105 0.000 1.049 301 V CA 1.944 64.299 62.300 0.092 0.000 1.003 301 V CB -1.261 30.614 31.823 0.087 0.000 0.634 301 V HN 0.559 nan 8.190 nan 0.000 0.444 302 A N -0.573 122.302 122.820 0.092 0.000 1.930 302 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 302 A C 2.457 180.066 177.584 0.043 0.000 1.175 302 A CA 1.975 54.054 52.037 0.069 0.000 0.627 302 A CB -0.684 18.350 19.000 0.057 0.000 0.815 302 A HN 0.503 nan 8.150 nan 0.000 0.443 303 S N 0.692 116.427 115.700 0.058 0.000 2.359 303 S HA -0.201 4.269 4.470 -0.000 0.000 0.224 303 S C 2.402 177.035 174.600 0.055 0.000 1.035 303 S CA 1.907 60.110 58.200 0.004 0.000 1.018 303 S CB -0.498 62.791 63.200 0.148 0.000 0.876 303 S HN 0.912 nan 8.310 nan 0.000 0.448 304 S N 2.456 118.288 115.700 0.221 0.000 2.383 304 S HA 0.000 4.470 4.470 -0.000 0.000 0.227 304 S C 2.085 176.893 174.600 0.346 0.000 1.026 304 S CA 0.927 59.337 58.200 0.349 0.000 0.981 304 S CB -0.726 62.652 63.200 0.296 0.000 0.818 304 S HN 0.514 nan 8.310 nan 0.000 0.472 305 A N 2.211 125.145 122.820 0.191 0.000 1.892 305 A HA 0.105 4.425 4.320 -0.000 0.000 0.218 305 A C 2.445 180.092 177.584 0.105 0.000 1.188 305 A CA 1.861 53.975 52.037 0.128 0.000 0.631 305 A CB -1.880 17.160 19.000 0.067 0.000 0.822 305 A HN 0.681 nan 8.150 nan 0.000 0.447 306 G N -1.505 107.296 108.800 0.000 0.000 2.418 306 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.217 306 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.217 306 G C 1.460 176.332 174.900 -0.047 0.000 1.158 306 G CA 1.016 46.053 45.100 -0.105 0.000 0.771 306 G HN 0.494 nan 8.290 nan 0.000 0.545 307 F N 0.137 120.150 119.950 0.105 0.000 2.171 307 F HA -0.049 4.478 4.527 -0.000 0.000 0.300 307 F C 2.794 178.745 175.800 0.252 0.000 1.090 307 F CA 1.119 59.219 58.000 0.166 0.000 1.293 307 F CB -0.120 38.913 39.000 0.055 0.000 1.013 307 F HN 0.151 nan 8.300 nan 0.000 0.486 308 H N -0.667 118.610 119.070 0.345 0.000 2.387 308 H HA -0.138 4.418 4.556 -0.000 0.000 0.299 308 H C 2.418 177.924 175.328 0.296 0.000 1.099 308 H CA 1.781 58.027 56.048 0.329 0.000 1.315 308 H CB -0.350 29.520 29.762 0.181 0.000 1.380 308 H HN 0.131 nan 8.280 nan 0.000 0.513 309 V N 1.013 121.089 119.914 0.270 0.000 2.270 309 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 309 V C 2.878 179.096 176.094 0.206 0.000 1.043 309 V CA 1.521 63.913 62.300 0.153 0.000 1.014 309 V CB -1.042 30.799 31.823 0.030 0.000 0.645 309 V HN 0.453 nan 8.190 nan 0.000 0.447 310 A N -0.255 122.689 122.820 0.207 0.000 1.873 310 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 310 A C 2.016 179.876 177.584 0.460 0.000 1.193 310 A CA 2.161 54.303 52.037 0.176 0.000 0.629 310 A CB -0.893 18.051 19.000 -0.094 0.000 0.826 310 A HN 0.476 nan 8.150 nan 0.000 0.447 311 F N 0.935 121.137 119.950 0.420 0.000 2.408 311 F HA -0.103 4.424 4.527 -0.000 0.000 0.300 311 F C 2.648 178.641 175.800 0.321 0.000 1.090 311 F CA 1.412 59.684 58.000 0.452 0.000 1.427 311 F CB -0.087 38.986 39.000 0.120 0.000 1.070 311 F HN 0.353 nan 8.300 nan 0.000 0.549 312 S N -1.805 114.147 115.700 0.421 0.000 2.556 312 S HA 0.122 4.592 4.470 -0.000 0.000 0.216 312 S C 0.451 175.169 174.600 0.197 0.000 0.970 312 S CA -0.198 58.176 58.200 0.291 0.000 0.912 312 S CB -0.008 63.363 63.200 0.285 0.000 0.790 312 S HN -0.084 nan 8.310 nan 0.000 0.504 313 K N 1.762 122.281 120.400 0.199 0.000 2.463 313 K HA 0.318 4.638 4.320 -0.000 0.000 0.255 313 K C 0.188 176.738 176.600 -0.084 0.000 0.942 313 K CA -0.377 55.928 56.287 0.030 0.000 0.814 313 K CB 1.929 34.470 32.500 0.069 0.000 1.122 313 K HN 0.140 nan 8.250 nan 0.000 0.425 314 K N 2.105 122.156 120.400 -0.582 0.000 2.152 314 K HA -0.123 4.197 4.320 -0.000 0.000 0.206 314 K C 1.471 177.982 176.600 -0.148 0.000 1.048 314 K CA 1.183 57.032 56.287 -0.731 0.000 0.933 314 K CB 0.075 31.984 32.500 -0.985 0.000 0.721 314 K HN 0.430 nan 8.250 nan 0.000 0.447 315 I N 1.310 121.828 120.570 -0.087 0.000 2.830 315 I HA -0.018 4.152 4.170 -0.000 0.000 0.263 315 I C 0.175 176.310 176.117 0.029 0.000 1.230 315 I CA 0.621 61.909 61.300 -0.020 0.000 1.480 315 I CB 0.143 38.131 38.000 -0.021 0.000 1.095 315 I HN 0.086 nan 8.210 nan 0.000 0.455 316 I N 1.126 121.755 120.570 0.098 0.000 2.291 316 I HA 0.088 4.258 4.170 -0.000 0.000 0.292 316 I C 1.167 177.400 176.117 0.194 0.000 1.064 316 I CA 0.062 61.420 61.300 0.096 0.000 1.269 316 I CB 0.598 38.649 38.000 0.084 0.000 1.418 316 I HN 0.167 nan 8.210 nan 0.000 0.485 317 T N 0.112 114.738 114.554 0.120 0.000 3.054 317 T HA 0.197 4.547 4.350 -0.000 0.000 0.255 317 T C 0.458 175.290 174.700 0.220 0.000 1.035 317 T CA -0.169 62.043 62.100 0.186 0.000 0.941 317 T CB 0.065 69.001 68.868 0.114 0.000 1.026 317 T HN 0.567 nan 8.240 nan 0.000 0.533 318 S N -0.506 115.244 115.700 0.083 0.000 2.596 318 S HA 0.777 5.247 4.470 -0.000 0.000 0.270 318 S C -1.537 172.937 174.600 -0.211 0.000 1.155 318 S CA -0.773 57.460 58.200 0.054 0.000 0.827 318 S CB 2.086 65.398 63.200 0.186 0.000 1.130 318 S HN 0.274 nan 8.310 nan 0.000 0.467 319 V N 0.412 120.202 119.914 -0.208 0.000 2.971 319 V HA 0.663 4.783 4.120 -0.000 0.000 0.309 319 V C -1.541 174.513 176.094 -0.067 0.000 1.130 319 V CA -0.448 61.693 62.300 -0.265 0.000 0.964 319 V CB 2.165 33.694 31.823 -0.490 0.000 1.029 319 V HN 1.080 nan 8.190 nan 0.000 0.427 320 E N 5.713 125.856 120.200 -0.095 0.000 3.626 320 E HA 0.351 4.701 4.350 -0.000 0.000 0.245 320 E C -1.762 174.775 176.600 -0.105 0.000 1.236 320 E CA -0.199 56.173 56.400 -0.046 0.000 1.072 320 E CB 1.319 31.007 29.700 -0.020 0.000 1.309 320 E HN 0.388 nan 8.360 nan 0.000 0.400 321 L N 1.365 122.523 121.223 -0.108 0.000 2.401 321 L HA 0.310 4.649 4.340 -0.000 0.000 0.263 321 L C 0.702 177.636 176.870 0.107 0.000 1.004 321 L CA -0.182 54.558 54.840 -0.165 0.000 0.881 321 L CB 1.356 43.059 42.059 -0.593 0.000 1.219 321 L HN 0.196 nan 8.230 nan 0.000 0.441 322 T N -3.242 111.298 114.554 -0.023 0.000 3.231 322 T HA 0.175 4.525 4.350 -0.000 0.000 0.292 322 T C 1.469 175.994 174.700 -0.292 0.000 1.001 322 T CA 0.266 62.311 62.100 -0.091 0.000 0.920 322 T CB 0.739 69.537 68.868 -0.118 0.000 1.140 322 T HN 0.485 nan 8.240 nan 0.000 0.525 323 G N 2.988 111.620 108.800 -0.281 0.000 2.446 323 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.217 323 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.217 323 G C -0.635 173.918 174.900 -0.578 0.000 1.168 323 G CA 0.711 45.484 45.100 -0.545 0.000 0.771 323 G HN 0.449 nan 8.290 nan 0.000 0.551 324 P HA -0.063 nan 4.420 nan 0.000 0.218 324 P C 1.386 178.584 177.300 -0.170 0.000 1.146 324 P CA 0.937 64.050 63.100 0.022 0.000 0.813 324 P CB -0.158 31.656 31.700 0.190 0.000 0.778 325 L N -5.030 115.958 121.223 -0.391 0.000 2.791 325 L HA 0.381 4.721 4.340 -0.000 0.000 0.239 325 L C 1.116 177.822 176.870 -0.273 0.000 1.203 325 L CA 0.739 55.382 54.840 -0.329 0.000 1.002 325 L CB -0.406 41.389 42.059 -0.441 0.000 1.295 325 L HN -0.281 nan 8.230 nan 0.000 0.504 326 K N -0.788 119.365 120.400 -0.411 0.000 2.425 326 K HA 0.321 4.641 4.320 -0.000 0.000 0.201 326 K C -0.303 176.117 176.600 -0.300 0.000 1.128 326 K CA -0.157 55.890 56.287 -0.400 0.000 1.000 326 K CB 0.504 32.646 32.500 -0.596 0.000 0.961 326 K HN 0.106 nan 8.250 nan 0.000 0.555 327 F N 0.879 120.782 119.950 -0.078 0.000 2.370 327 F HA 0.089 4.616 4.527 -0.000 0.000 0.324 327 F C 1.888 177.665 175.800 -0.039 0.000 1.116 327 F CA -0.587 57.378 58.000 -0.058 0.000 1.123 327 F CB 1.016 39.980 39.000 -0.060 0.000 1.238 327 F HN -0.073 nan 8.300 nan 0.000 0.536 328 T N -2.485 112.182 114.554 0.189 0.000 3.044 328 T HA 0.267 4.617 4.350 -0.000 0.000 0.250 328 T C 0.242 174.984 174.700 0.070 0.000 1.081 328 T CA 0.152 62.307 62.100 0.093 0.000 1.040 328 T CB -0.167 68.738 68.868 0.063 0.000 0.962 328 T HN 0.438 nan 8.240 nan 0.000 0.506 329 K N 0.972 121.415 120.400 0.073 0.000 2.535 329 K HA 0.504 4.824 4.320 -0.000 0.000 0.251 329 K C -2.029 174.565 176.600 -0.011 0.000 0.942 329 K CA -0.747 55.548 56.287 0.013 0.000 0.798 329 K CB 2.206 34.687 32.500 -0.031 0.000 1.267 329 K HN 0.005 nan 8.250 nan 0.000 0.434 330 D N 2.304 122.703 120.400 -0.001 0.000 2.671 330 D HA 0.277 4.917 4.640 -0.000 0.000 0.232 330 D C 0.596 176.866 176.300 -0.049 0.000 1.114 330 D CA -0.715 53.280 54.000 -0.008 0.000 0.858 330 D CB 1.660 42.512 40.800 0.088 0.000 1.544 330 D HN 0.580 nan 8.370 nan 0.000 0.471 331 I N -0.140 120.380 120.570 -0.083 0.000 3.578 331 I HA 0.400 4.570 4.170 -0.000 0.000 0.295 331 I C 0.788 176.837 176.117 -0.114 0.000 1.280 331 I CA -0.076 61.156 61.300 -0.114 0.000 1.347 331 I CB 0.238 38.149 38.000 -0.148 0.000 1.051 331 I HN 0.180 nan 8.210 nan 0.000 0.460 332 G N 1.867 110.634 108.800 -0.055 0.000 2.816 332 G HA2 0.403 4.363 3.960 -0.000 0.000 0.288 332 G HA3 0.403 4.363 3.960 -0.000 0.000 0.288 332 G C -0.695 174.217 174.900 0.021 0.000 1.334 332 G CA -0.598 44.478 45.100 -0.040 0.000 0.978 332 G HN 0.324 nan 8.290 nan 0.000 0.493 333 N N 0.048 118.771 118.700 0.037 0.000 2.599 333 N HA 0.144 4.884 4.740 -0.000 0.000 0.309 333 N C -0.590 174.996 175.510 0.126 0.000 1.743 333 N CA -0.544 52.551 53.050 0.076 0.000 0.918 333 N CB 0.747 39.258 38.487 0.041 0.000 1.339 333 N HN 0.315 nan 8.380 nan 0.000 0.493 334 L N 1.869 123.192 121.223 0.166 0.000 2.462 334 L HA 0.200 4.540 4.340 -0.000 0.000 0.272 334 L C -0.119 176.902 176.870 0.253 0.000 1.166 334 L CA 0.110 55.059 54.840 0.181 0.000 0.880 334 L CB -0.046 42.152 42.059 0.232 0.000 1.142 334 L HN 0.415 nan 8.230 nan 0.000 0.473 335 H N 4.321 123.428 119.070 0.061 0.000 2.562 335 H HA 0.384 4.940 4.556 -0.000 0.000 0.314 335 H C -1.474 173.878 175.328 0.039 0.000 1.079 335 H CA -0.125 55.979 56.048 0.094 0.000 1.349 335 H CB 0.375 30.155 29.762 0.031 0.000 1.432 335 H HN 0.549 nan 8.280 nan 0.000 0.479 336 Y N 3.045 122.972 120.300 -0.622 0.000 2.341 336 Y HA 0.187 4.737 4.550 -0.000 0.000 0.337 336 Y C 0.301 175.803 175.900 -0.664 0.000 1.014 336 Y CA -0.782 57.024 58.100 -0.490 0.000 1.111 336 Y CB 1.333 39.674 38.460 -0.198 0.000 1.194 336 Y HN 0.682 nan 8.280 nan 0.000 0.462 337 D N 3.257 123.509 120.400 -0.246 0.000 3.139 337 D HA 0.135 4.775 4.640 -0.000 0.000 0.268 337 D C -0.308 176.026 176.300 0.056 0.000 1.322 337 D CA 0.039 53.998 54.000 -0.067 0.000 0.940 337 D CB 0.442 41.256 40.800 0.024 0.000 1.050 337 D HN 0.243 nan 8.370 nan 0.000 0.503 338 V N 3.184 123.101 119.914 0.005 0.000 2.780 338 V HA -0.094 4.026 4.120 -0.000 0.000 0.301 338 V C -1.170 174.857 176.094 -0.111 0.000 1.168 338 V CA -0.107 62.135 62.300 -0.098 0.000 1.305 338 V CB -0.047 31.672 31.823 -0.174 0.000 0.858 338 V HN 0.296 nan 8.190 nan 0.000 0.502 339 P HA 0.371 nan 4.420 nan 0.000 0.218 339 P C -0.807 176.110 177.300 -0.639 0.000 1.826 339 P CA 0.059 62.820 63.100 -0.564 0.000 0.946 339 P CB -0.197 31.026 31.700 -0.796 0.000 1.728 340 F N 0.092 120.005 119.950 -0.062 0.000 2.643 340 F HA 0.494 5.021 4.527 -0.000 0.000 0.314 340 F C 0.020 175.788 175.800 -0.054 0.000 1.096 340 F CA -1.268 56.718 58.000 -0.023 0.000 0.953 340 F CB 1.261 40.240 39.000 -0.034 0.000 1.345 340 F HN -0.303 nan 8.300 nan 0.000 0.468 341 I N 1.097 121.750 120.570 0.139 0.000 2.545 341 I HA 0.685 4.855 4.170 -0.000 0.000 0.292 341 I C -0.936 175.215 176.117 0.056 0.000 1.040 341 I CA -0.872 60.335 61.300 -0.155 0.000 1.068 341 I CB 2.128 39.776 38.000 -0.588 0.000 1.251 341 I HN 0.435 nan 8.210 nan 0.000 0.424 342 R N 5.038 125.477 120.500 -0.102 0.000 2.673 342 R HA 0.717 5.057 4.340 -0.000 0.000 0.281 342 R C -1.435 174.667 176.300 -0.330 0.000 0.991 342 R CA -0.933 55.144 56.100 -0.038 0.000 0.896 342 R CB 2.466 32.758 30.300 -0.013 0.000 1.201 342 R HN 0.485 nan 8.270 nan 0.000 0.457 343 L N 2.841 123.714 121.223 -0.583 0.000 2.343 343 L HA 0.344 4.684 4.340 -0.000 0.000 0.275 343 L C 0.891 177.647 176.870 -0.190 0.000 1.056 343 L CA -0.640 53.883 54.840 -0.527 0.000 0.804 343 L CB 1.109 42.674 42.059 -0.823 0.000 1.203 343 L HN 0.767 nan 8.230 nan 0.000 0.440 344 N N 0.757 119.406 118.700 -0.084 0.000 2.374 344 N HA 0.025 4.765 4.740 -0.000 0.000 0.284 344 N C -0.094 175.458 175.510 0.070 0.000 1.280 344 N CA -0.610 52.438 53.050 -0.002 0.000 0.963 344 N CB 0.877 39.367 38.487 0.004 0.000 1.141 344 N HN 0.522 nan 8.380 nan 0.000 0.565 345 E N -1.024 119.213 120.200 0.062 0.000 2.501 345 E HA 0.155 4.505 4.350 -0.000 0.000 0.200 345 E C -0.654 175.959 176.600 0.022 0.000 1.016 345 E CA -0.217 56.229 56.400 0.077 0.000 0.921 345 E CB 0.216 29.957 29.700 0.070 0.000 1.034 345 E HN 0.366 nan 8.360 nan 0.000 0.468 346 K N 2.019 122.429 120.400 0.017 0.000 2.319 346 K HA 0.127 4.447 4.320 -0.000 0.000 0.265 346 K C -2.261 174.326 176.600 -0.020 0.000 1.000 346 K CA -1.572 54.717 56.287 0.003 0.000 0.943 346 K CB 0.197 32.704 32.500 0.012 0.000 0.950 346 K HN 0.052 nan 8.250 nan 0.000 0.485 347 P HA -0.061 nan 4.420 nan 0.000 0.269 347 P C 0.578 177.850 177.300 -0.047 0.000 1.215 347 P CA 0.383 63.459 63.100 -0.041 0.000 0.780 347 P CB 0.661 32.349 31.700 -0.021 0.000 0.898 348 G N 1.797 110.550 108.800 -0.078 0.000 2.574 348 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.286 348 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.286 348 G C 0.853 175.642 174.900 -0.185 0.000 1.212 348 G CA 0.312 45.358 45.100 -0.090 0.000 0.979 348 G HN 0.485 nan 8.290 nan 0.000 0.557 349 L N 2.336 123.494 121.223 -0.108 0.000 2.551 349 L HA 0.296 4.636 4.340 -0.000 0.000 0.228 349 L C 2.389 179.308 176.870 0.082 0.000 1.153 349 L CA 1.015 55.805 54.840 -0.082 0.000 0.851 349 L CB -0.708 41.362 42.059 0.020 0.000 0.959 349 L HN 1.964 nan 8.230 nan 0.000 0.451 350 G N 0.731 109.556 108.800 0.043 0.000 2.249 350 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.273 350 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.273 350 G C 0.113 175.044 174.900 0.052 0.000 1.036 350 G CA 0.156 45.291 45.100 0.058 0.000 0.824 350 G HN 0.194 nan 8.290 nan 0.000 0.504 351 I N -0.994 119.598 120.570 0.037 0.000 2.957 351 I HA 0.659 4.829 4.170 -0.000 0.000 0.310 351 I C -0.139 175.965 176.117 -0.022 0.000 1.063 351 I CA -1.472 59.839 61.300 0.018 0.000 1.033 351 I CB 2.082 40.098 38.000 0.026 0.000 1.230 351 I HN 0.051 nan 8.210 nan 0.000 0.447 352 E N 2.883 123.055 120.200 -0.046 0.000 2.210 352 E HA 0.504 4.854 4.350 -0.000 0.000 0.266 352 E C -0.913 175.598 176.600 -0.148 0.000 0.883 352 E CA -0.460 55.891 56.400 -0.081 0.000 0.761 352 E CB 1.962 31.633 29.700 -0.048 0.000 1.156 352 E HN 0.181 nan 8.360 nan 0.000 0.412 353 I N 2.679 123.095 120.570 -0.258 0.000 2.331 353 I HA 0.189 4.359 4.170 -0.000 0.000 0.292 353 I C 0.144 176.126 176.117 -0.224 0.000 0.998 353 I CA -0.615 60.471 61.300 -0.358 0.000 1.267 353 I CB 0.913 38.426 38.000 -0.811 0.000 1.386 353 I HN 0.468 nan 8.210 nan 0.000 0.476 354 N N 6.573 125.170 118.700 -0.171 0.000 2.482 354 N HA 0.011 4.751 4.740 -0.000 0.000 0.242 354 N C 1.017 176.452 175.510 -0.126 0.000 1.100 354 N CA -0.025 52.955 53.050 -0.116 0.000 0.946 354 N CB 0.779 39.216 38.487 -0.084 0.000 1.227 354 N HN 0.368 nan 8.380 nan 0.000 0.508 355 E N 2.257 122.391 120.200 -0.110 0.000 2.114 355 E HA -0.223 4.127 4.350 -0.000 0.000 0.199 355 E C 0.564 177.110 176.600 -0.090 0.000 1.008 355 E CA 1.390 57.728 56.400 -0.103 0.000 0.810 355 E CB 0.194 29.859 29.700 -0.059 0.000 0.739 355 E HN 0.666 nan 8.360 nan 0.000 0.456 356 D N -0.220 120.141 120.400 -0.065 0.000 2.117 356 D HA -0.102 4.538 4.640 -0.000 0.000 0.197 356 D C 1.897 178.163 176.300 -0.057 0.000 0.987 356 D CA 1.488 55.459 54.000 -0.048 0.000 0.829 356 D CB -0.317 40.463 40.800 -0.034 0.000 0.961 356 D HN 0.193 nan 8.370 nan 0.000 0.460 357 T N 1.669 116.181 114.554 -0.070 0.000 2.777 357 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 357 T C 1.992 176.635 174.700 -0.096 0.000 1.040 357 T CA 0.417 62.473 62.100 -0.074 0.000 1.141 357 T CB -0.318 68.505 68.868 -0.075 0.000 0.868 357 T HN 0.023 nan 8.240 nan 0.000 0.444 358 L N 1.317 122.459 121.223 -0.134 0.000 1.989 358 L HA -0.096 4.244 4.340 -0.000 0.000 0.211 358 L C 2.508 179.293 176.870 -0.140 0.000 1.071 358 L CA 1.898 56.628 54.840 -0.183 0.000 0.749 358 L CB -0.877 41.003 42.059 -0.298 0.000 0.890 358 L HN 0.065 nan 8.230 nan 0.000 0.431 359 Q N 0.148 119.882 119.800 -0.109 0.000 2.124 359 Q HA -0.248 4.092 4.340 -0.000 0.000 0.202 359 Q C 2.088 178.082 176.000 -0.010 0.000 0.977 359 Q CA 2.133 57.914 55.803 -0.037 0.000 0.850 359 Q CB -0.272 28.456 28.738 -0.017 0.000 0.901 359 Q HN 0.825 nan 8.270 nan 0.000 0.429 360 E N -1.095 119.090 120.200 -0.025 0.000 2.274 360 E HA -0.105 4.245 4.350 -0.000 0.000 0.194 360 E C 1.458 178.049 176.600 -0.015 0.000 0.996 360 E CA 0.694 57.087 56.400 -0.013 0.000 0.840 360 E CB -0.175 29.514 29.700 -0.018 0.000 0.772 360 E HN 0.376 nan 8.360 nan 0.000 0.491 361 L N 1.114 122.316 121.223 -0.034 0.000 2.477 361 L HA 0.122 4.462 4.340 -0.000 0.000 0.220 361 L C 0.601 177.466 176.870 -0.009 0.000 1.106 361 L CA 0.028 54.843 54.840 -0.041 0.000 0.851 361 L CB 0.116 42.124 42.059 -0.084 0.000 0.994 361 L HN 0.004 nan 8.230 nan 0.000 0.462 362 T N 0.215 114.777 114.554 0.013 0.000 2.853 362 T HA 0.063 4.413 4.350 -0.000 0.000 0.298 362 T C 1.231 175.959 174.700 0.046 0.000 0.978 362 T CA -0.109 62.018 62.100 0.045 0.000 1.152 362 T CB 2.121 71.057 68.868 0.113 0.000 0.914 362 T HN -0.136 nan 8.240 nan 0.000 0.539 363 V N 3.399 123.325 119.914 0.021 0.000 2.825 363 V HA 0.266 4.386 4.120 -0.000 0.000 0.246 363 V C 0.143 176.328 176.094 0.152 0.000 1.068 363 V CA 0.824 63.191 62.300 0.113 0.000 1.088 363 V CB -0.546 31.449 31.823 0.286 0.000 0.733 363 V HN 0.918 nan 8.190 nan 0.000 0.468 364 F N -0.580 119.338 119.950 -0.054 0.000 2.719 364 F HA 0.736 5.263 4.527 -0.000 0.000 0.309 364 F C -1.043 174.654 175.800 -0.172 0.000 1.138 364 F CA -1.325 56.586 58.000 -0.148 0.000 0.943 364 F CB 1.160 39.993 39.000 -0.278 0.000 1.304 364 F HN 0.111 nan 8.300 nan 0.000 0.445 365 Q N 0.390 120.281 119.800 0.151 0.000 2.685 365 Q HA 0.747 5.087 4.340 -0.000 0.000 0.301 365 Q C -2.353 173.776 176.000 0.215 0.000 0.924 365 Q CA -1.058 54.824 55.803 0.133 0.000 0.755 365 Q CB 3.327 32.077 28.738 0.019 0.000 1.470 365 Q HN 0.728 nan 8.270 nan 0.000 0.434 366 D N -0.415 120.056 120.400 0.119 0.000 2.671 366 D HA 0.577 5.217 4.640 -0.000 0.000 0.273 366 D C -1.265 174.956 176.300 -0.133 0.000 1.264 366 D CA -0.388 53.627 54.000 0.024 0.000 0.788 366 D CB 2.176 43.004 40.800 0.047 0.000 1.324 366 D HN 0.551 nan 8.370 nan 0.000 0.424 367 I N 0.741 121.212 120.570 -0.165 0.000 2.647 367 I HA 0.430 4.600 4.170 -0.000 0.000 0.295 367 I C -0.737 175.224 176.117 -0.259 0.000 1.078 367 I CA -0.962 60.163 61.300 -0.292 0.000 1.048 367 I CB 2.547 40.362 38.000 -0.307 0.000 1.239 367 I HN -0.041 nan 8.210 nan 0.000 0.421 368 V N 6.004 125.741 119.914 -0.295 0.000 2.531 368 V HA 0.601 4.721 4.120 -0.000 0.000 0.301 368 V C -0.263 175.711 176.094 -0.201 0.000 1.034 368 V CA -0.566 61.600 62.300 -0.224 0.000 0.865 368 V CB 1.795 33.482 31.823 -0.227 0.000 0.995 368 V HN 0.830 nan 8.190 nan 0.000 0.424 369 R N 0.000 120.411 120.500 -0.149 0.000 2.786 369 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 369 R CA 0.000 56.028 56.100 -0.120 0.000 0.921 369 R CB 0.000 30.233 30.300 -0.111 0.000 0.687 369 R HN 0.000 nan 8.270 nan 0.000 0.535