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 2vjp_1_A DATA FIRST_RESID 2 DATA SEQUENCE TKPLDGINVL DFTHVQAGPA CTQMMGFLGA NVIKIERRGS GDMTRGFLQD DATA SEQUENCE KPNVDSLYFT MFNCNKRSIE LDMKTPEGKE LLEQMIKKAD VMVENFGPGA DATA SEQUENCE LDRMGFTWEY IQELNPRVIL ASVKGYAEGH ANEHLKVYEN VAQCSGGAAA DATA SEQUENCE TTGFWDGPPT VSGAALGDSN SGMHLMIGIL AALEIRHKTG RGQKVAVAMQ DATA SEQUENCE DAVLNLVRIK LRDQQRLERT GILAEYPQAQ PNFAFDRDGN PLSFDNITSV DATA SEQUENCE PRGGNAGGGG QPGWMLKCKG WETDADSYVY FTIAANMWPQ ICDMIDKPEW DATA SEQUENCE KDDPAYNTFE GRVDKLMDIF SFIETKFADK DKFEVTEWAA QYGIPCGPVM DATA SEQUENCE SMKELAHDPS LQKVGTVVEV VDEIRGNHLT VGAPFKFSGF QPEITRAPLL DATA SEQUENCE GEHTDEVLKE LGLDDAKIKE LHAKQVV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.544 174.700 -0.260 0.000 1.109 2 T CA 0.000 62.033 62.100 -0.112 0.000 1.349 2 T CB 0.000 68.817 68.868 -0.084 0.000 0.612 3 K N 2.842 123.014 120.400 -0.381 0.000 2.156 3 K HA 0.485 4.809 4.320 0.007 0.000 0.250 3 K C -1.925 174.299 176.600 -0.626 0.000 0.955 3 K CA -2.461 53.354 56.287 -0.787 0.000 0.855 3 K CB 1.529 33.671 32.500 -0.597 0.000 1.101 3 K HN 0.124 nan 8.250 nan 0.000 0.434 4 P HA -0.156 nan 4.420 nan 0.000 0.216 4 P C 0.392 177.536 177.300 -0.259 0.000 1.153 4 P CA 1.366 64.195 63.100 -0.450 0.000 0.858 4 P CB 0.224 31.652 31.700 -0.453 0.000 0.789 5 L N -1.751 119.329 121.223 -0.239 0.000 2.872 5 L HA 0.213 4.557 4.340 0.007 0.000 0.245 5 L C -0.030 176.772 176.870 -0.114 0.000 1.211 5 L CA -0.475 54.285 54.840 -0.135 0.000 1.013 5 L CB -0.344 41.656 42.059 -0.098 0.000 1.326 5 L HN -0.163 nan 8.230 nan 0.000 0.525 6 D N 1.598 121.914 120.400 -0.140 0.000 2.487 6 D HA 0.219 4.863 4.640 0.007 0.000 0.243 6 D C 1.323 177.581 176.300 -0.070 0.000 1.154 6 D CA 1.506 55.444 54.000 -0.103 0.000 0.876 6 D CB 1.302 42.034 40.800 -0.113 0.000 1.161 6 D HN 0.366 nan 8.370 nan 0.000 0.478 7 G N 2.373 111.141 108.800 -0.053 0.000 2.225 7 G HA2 -0.244 3.720 3.960 0.007 0.000 0.254 7 G HA3 -0.244 3.720 3.960 0.007 0.000 0.254 7 G C 0.393 175.271 174.900 -0.037 0.000 0.988 7 G CA -0.393 44.683 45.100 -0.040 0.000 0.625 7 G HN 0.494 nan 8.290 nan 0.000 0.527 8 I N 2.095 122.639 120.570 -0.042 0.000 2.379 8 I HA 0.205 4.379 4.170 0.007 0.000 0.290 8 I C 0.176 176.272 176.117 -0.035 0.000 1.063 8 I CA -0.396 60.882 61.300 -0.037 0.000 1.351 8 I CB 0.090 38.067 38.000 -0.039 0.000 1.410 8 I HN 0.171 nan 8.210 nan 0.000 0.505 9 N N 5.497 124.178 118.700 -0.030 0.000 2.422 9 N HA 0.399 5.143 4.740 0.007 0.000 0.266 9 N C -0.802 174.690 175.510 -0.029 0.000 1.007 9 N CA -0.403 52.628 53.050 -0.032 0.000 0.941 9 N CB 1.919 40.389 38.487 -0.028 0.000 1.115 9 N HN 0.261 nan 8.380 nan 0.000 0.492 10 V N 3.535 123.426 119.914 -0.039 0.000 2.384 10 V HA 0.272 4.396 4.120 0.007 0.000 0.287 10 V C -0.023 176.030 176.094 -0.068 0.000 1.020 10 V CA -0.741 61.536 62.300 -0.039 0.000 0.850 10 V CB 1.236 33.035 31.823 -0.041 0.000 0.987 10 V HN 0.571 nan 8.190 nan 0.000 0.436 11 L N 4.398 125.583 121.223 -0.063 0.000 2.261 11 L HA 0.430 4.774 4.340 0.007 0.000 0.289 11 L C -0.300 176.439 176.870 -0.219 0.000 1.059 11 L CA -0.092 54.644 54.840 -0.172 0.000 0.816 11 L CB 0.891 42.886 42.059 -0.107 0.000 1.191 11 L HN 0.626 nan 8.230 nan 0.000 0.431 12 D N 3.156 123.364 120.400 -0.321 0.000 2.460 12 D HA 0.210 4.854 4.640 0.007 0.000 0.232 12 D C 0.153 176.277 176.300 -0.294 0.000 1.079 12 D CA -0.349 53.531 54.000 -0.201 0.000 0.864 12 D CB 0.744 41.472 40.800 -0.119 0.000 1.048 12 D HN 0.216 nan 8.370 nan 0.000 0.523 13 F N 1.051 120.956 119.950 -0.075 0.000 2.765 13 F HA 0.097 4.628 4.527 0.007 0.000 0.302 13 F C 1.573 177.247 175.800 -0.210 0.000 1.111 13 F CA -0.247 57.693 58.000 -0.100 0.000 1.359 13 F CB -0.064 38.855 39.000 -0.135 0.000 1.097 13 F HN 0.185 nan 8.300 nan 0.000 0.577 14 T N -1.295 113.226 114.554 -0.054 0.000 2.882 14 T HA 0.482 4.836 4.350 0.007 0.000 0.287 14 T C -0.424 174.233 174.700 -0.071 0.000 1.014 14 T CA -0.391 61.596 62.100 -0.189 0.000 1.049 14 T CB 1.061 69.824 68.868 -0.175 0.000 1.001 14 T HN 0.417 nan 8.240 nan 0.000 0.525 15 H N -1.517 117.489 119.070 -0.106 0.000 2.960 15 H HA 0.765 5.325 4.556 0.006 0.000 0.338 15 H C 0.336 175.595 175.328 -0.116 0.000 1.261 15 H CA -0.798 55.206 56.048 -0.075 0.000 1.136 15 H CB 0.531 30.265 29.762 -0.046 0.000 1.875 15 H HN 0.614 nan 8.280 nan 0.000 0.550 16 V N -1.642 118.260 119.914 -0.020 0.000 0.688 16 V HA -0.417 3.707 4.120 0.007 0.000 0.092 16 V C 1.454 177.364 176.094 -0.308 0.000 0.820 16 V CA 1.883 64.075 62.300 -0.180 0.000 3.106 16 V CB -1.851 29.928 31.823 -0.073 0.000 0.214 16 V HN 1.042 nan 8.190 nan 0.000 0.138 17 Q N -1.102 118.549 119.800 -0.249 0.000 2.620 17 Q HA 0.425 4.769 4.340 0.007 0.000 0.232 17 Q C 1.957 177.870 176.000 -0.145 0.000 0.836 17 Q CA 1.000 56.597 55.803 -0.343 0.000 0.938 17 Q CB 0.556 29.135 28.738 -0.266 0.000 1.242 17 Q HN 0.960 nan 8.270 nan 0.000 0.624 18 A N 0.999 123.763 122.820 -0.092 0.000 1.849 18 A HA -0.140 4.184 4.320 0.007 0.000 0.217 18 A C 2.128 179.687 177.584 -0.042 0.000 1.202 18 A CA 2.127 54.139 52.037 -0.043 0.000 0.629 18 A CB -1.585 17.375 19.000 -0.067 0.000 0.834 18 A HN 0.581 nan 8.150 nan 0.000 0.447 19 G N -0.312 108.427 108.800 -0.103 0.000 2.433 19 G HA2 -0.123 3.841 3.960 0.007 0.000 0.216 19 G HA3 -0.123 3.841 3.960 0.007 0.000 0.216 19 G C -0.274 174.590 174.900 -0.059 0.000 1.186 19 G CA 1.291 46.330 45.100 -0.102 0.000 0.779 19 G HN 0.504 nan 8.290 nan 0.000 0.543 20 P HA -0.037 nan 4.420 nan 0.000 0.216 20 P C 2.170 179.514 177.300 0.073 0.000 1.150 20 P CA 1.897 64.998 63.100 0.001 0.000 0.837 20 P CB -0.124 31.578 31.700 0.002 0.000 0.786 21 A N -0.952 121.971 122.820 0.171 0.000 1.902 21 A HA -0.267 4.057 4.320 0.007 0.000 0.217 21 A C 2.488 180.089 177.584 0.028 0.000 1.181 21 A CA 1.868 54.020 52.037 0.191 0.000 0.623 21 A CB -1.853 17.326 19.000 0.300 0.000 0.818 21 A HN 0.305 nan 8.150 nan 0.000 0.443 22 C N -0.095 119.219 119.300 0.023 0.000 2.413 22 C HA -0.140 4.324 4.460 0.007 0.000 0.277 22 C C 3.234 178.201 174.990 -0.037 0.000 1.228 22 C CA 2.492 61.510 59.018 -0.000 0.000 1.731 22 C CB -1.430 26.308 27.740 -0.002 0.000 2.042 22 C HN 0.750 nan 8.230 nan 0.000 0.468 23 T N -1.434 113.089 114.554 -0.051 0.000 2.951 23 T HA -0.195 4.159 4.350 0.007 0.000 0.268 23 T C 1.877 176.503 174.700 -0.123 0.000 1.073 23 T CA 1.739 63.798 62.100 -0.069 0.000 1.134 23 T CB -0.658 68.174 68.868 -0.060 0.000 0.884 23 T HN 0.812 nan 8.240 nan 0.000 0.479 24 Q N -0.052 119.638 119.800 -0.182 0.000 2.079 24 Q HA -0.088 4.256 4.340 0.007 0.000 0.200 24 Q C 2.309 177.933 176.000 -0.626 0.000 0.974 24 Q CA 1.458 57.031 55.803 -0.383 0.000 0.840 24 Q CB -0.245 28.233 28.738 -0.434 0.000 0.898 24 Q HN 0.485 nan 8.270 nan 0.000 0.430 25 M N -0.046 119.297 119.600 -0.428 0.000 2.229 25 M HA -0.069 4.415 4.480 0.007 0.000 0.264 25 M C 1.799 178.085 176.300 -0.023 0.000 1.063 25 M CA 1.494 56.641 55.300 -0.255 0.000 1.114 25 M CB -0.052 32.549 32.600 0.002 0.000 1.387 25 M HN 0.274 nan 8.290 nan 0.000 0.420 26 M N -1.103 118.471 119.600 -0.044 0.000 2.117 26 M HA -0.109 4.375 4.480 0.007 0.000 0.262 26 M C 2.128 178.432 176.300 0.007 0.000 1.065 26 M CA 1.765 57.059 55.300 -0.010 0.000 1.114 26 M CB -1.139 31.444 32.600 -0.030 0.000 1.361 26 M HN 0.494 nan 8.290 nan 0.000 0.408 27 G N -0.057 108.730 108.800 -0.022 0.000 2.418 27 G HA2 -0.201 3.763 3.960 0.007 0.000 0.217 27 G HA3 -0.201 3.763 3.960 0.007 0.000 0.217 27 G C 1.167 176.199 174.900 0.221 0.000 1.158 27 G CA 0.510 45.639 45.100 0.049 0.000 0.771 27 G HN 0.278 nan 8.290 nan 0.000 0.545 28 F N 0.782 120.762 119.950 0.049 0.000 2.216 28 F HA 0.098 4.629 4.527 0.007 0.000 0.300 28 F C 2.379 178.251 175.800 0.120 0.000 1.085 28 F CA 0.152 58.204 58.000 0.088 0.000 1.326 28 F CB -0.600 38.472 39.000 0.120 0.000 1.027 28 F HN 0.073 nan 8.300 nan 0.000 0.497 29 L N -1.060 120.327 121.223 0.273 0.000 2.612 29 L HA 0.228 4.572 4.340 0.007 0.000 0.230 29 L C 1.636 178.448 176.870 -0.097 0.000 1.140 29 L CA 0.806 55.698 54.840 0.087 0.000 0.896 29 L CB -0.674 41.413 42.059 0.046 0.000 1.065 29 L HN 0.386 nan 8.230 nan 0.000 0.447 30 G N -0.351 108.437 108.800 -0.019 0.000 2.211 30 G HA2 -0.202 3.762 3.960 0.007 0.000 0.201 30 G HA3 -0.202 3.762 3.960 0.007 0.000 0.201 30 G C 0.455 175.325 174.900 -0.049 0.000 0.997 30 G CA -0.141 44.919 45.100 -0.066 0.000 0.652 30 G HN 0.431 nan 8.290 nan 0.000 0.500 31 A N 0.248 123.047 122.820 -0.034 0.000 2.483 31 A HA 0.498 4.822 4.320 0.007 0.000 0.238 31 A C 0.624 178.189 177.584 -0.031 0.000 1.070 31 A CA 0.666 52.680 52.037 -0.037 0.000 0.770 31 A CB 0.123 19.102 19.000 -0.035 0.000 1.008 31 A HN 0.782 nan 8.150 nan 0.000 0.497 32 N N 2.225 120.901 118.700 -0.039 0.000 2.521 32 N HA 0.303 5.047 4.740 0.007 0.000 0.236 32 N C -1.191 174.287 175.510 -0.052 0.000 1.067 32 N CA -0.362 52.662 53.050 -0.044 0.000 0.939 32 N CB 0.411 38.873 38.487 -0.043 0.000 1.201 32 N HN 0.287 nan 8.380 nan 0.000 0.511 33 V N 5.772 125.652 119.914 -0.057 0.000 2.350 33 V HA 0.337 4.461 4.120 0.007 0.000 0.276 33 V C 0.397 176.442 176.094 -0.082 0.000 1.028 33 V CA -0.545 61.715 62.300 -0.066 0.000 0.860 33 V CB 0.967 32.754 31.823 -0.060 0.000 0.990 33 V HN 0.550 nan 8.190 nan 0.000 0.453 34 I N 5.231 125.744 120.570 -0.095 0.000 2.330 34 I HA 0.356 4.530 4.170 0.007 0.000 0.286 34 I C 0.354 176.393 176.117 -0.129 0.000 1.025 34 I CA -0.331 60.907 61.300 -0.103 0.000 1.197 34 I CB 1.040 38.979 38.000 -0.103 0.000 1.358 34 I HN 0.517 nan 8.210 nan 0.000 0.467 35 K N 7.820 128.172 120.400 -0.080 0.000 2.284 35 K HA 0.426 4.750 4.320 0.007 0.000 0.287 35 K C -0.547 176.011 176.600 -0.071 0.000 1.081 35 K CA -0.437 55.809 56.287 -0.068 0.000 0.910 35 K CB 0.572 33.083 32.500 0.020 0.000 1.088 35 K HN 0.560 nan 8.250 nan 0.000 0.478 36 I N 4.675 125.145 120.570 -0.167 0.000 2.337 36 I HA 0.095 4.269 4.170 0.007 0.000 0.291 36 I C 0.153 176.275 176.117 0.008 0.000 1.046 36 I CA 0.021 61.244 61.300 -0.129 0.000 1.324 36 I CB 0.894 38.703 38.000 -0.319 0.000 1.409 36 I HN 0.561 nan 8.210 nan 0.000 0.494 37 E N 5.684 125.909 120.200 0.042 0.000 2.277 37 E HA 0.396 4.750 4.350 0.007 0.000 0.266 37 E C -0.525 176.114 176.600 0.065 0.000 0.901 37 E CA -1.152 55.290 56.400 0.070 0.000 0.782 37 E CB 2.195 31.930 29.700 0.059 0.000 1.228 37 E HN 0.412 nan 8.360 nan 0.000 0.424 38 R N 2.387 122.925 120.500 0.063 0.000 2.421 38 R HA 0.047 4.391 4.340 0.007 0.000 0.305 38 R C -0.069 176.245 176.300 0.022 0.000 1.039 38 R CA -0.049 56.078 56.100 0.045 0.000 1.003 38 R CB 0.305 30.622 30.300 0.027 0.000 0.959 38 R HN 0.455 nan 8.270 nan 0.000 0.427 39 R N 2.346 122.859 120.500 0.022 0.000 2.584 39 R HA -0.176 4.168 4.340 0.007 0.000 0.315 39 R C 0.947 177.251 176.300 0.006 0.000 0.863 39 R CA 1.632 57.741 56.100 0.015 0.000 1.139 39 R CB -0.016 30.293 30.300 0.014 0.000 0.880 39 R HN 1.052 nan 8.270 nan 0.000 0.413 40 G N 1.334 110.136 108.800 0.003 0.000 2.199 40 G HA2 -0.352 3.612 3.960 0.007 0.000 0.254 40 G HA3 -0.352 3.612 3.960 0.007 0.000 0.254 40 G C 0.510 175.400 174.900 -0.017 0.000 0.982 40 G CA 0.587 45.684 45.100 -0.004 0.000 0.632 40 G HN 0.706 nan 8.290 nan 0.000 0.529 41 S N -1.511 114.175 115.700 -0.023 0.000 3.448 41 S HA 0.578 5.051 4.470 0.007 0.000 0.254 41 S C 1.964 176.533 174.600 -0.052 0.000 1.102 41 S CA 1.378 59.555 58.200 -0.038 0.000 0.797 41 S CB 0.668 63.846 63.200 -0.037 0.000 0.891 41 S HN 2.449 nan 8.310 nan 0.000 0.474 42 G N 2.271 111.051 108.800 -0.034 0.000 2.752 42 G HA2 -0.146 3.818 3.960 0.007 0.000 0.234 42 G HA3 -0.146 3.818 3.960 0.007 0.000 0.234 42 G C -0.783 174.096 174.900 -0.036 0.000 1.367 42 G CA -0.066 45.018 45.100 -0.027 0.000 0.879 42 G HN 0.634 nan 8.290 nan 0.000 0.563 43 D N 0.626 121.030 120.400 0.008 0.000 2.586 43 D HA 0.177 4.820 4.640 0.007 0.000 0.234 43 D C 1.994 178.285 176.300 -0.015 0.000 1.132 43 D CA 0.562 54.590 54.000 0.046 0.000 0.860 43 D CB 0.595 41.513 40.800 0.197 0.000 1.159 43 D HN 0.707 nan 8.370 nan 0.000 0.490 44 M N 2.470 122.040 119.600 -0.050 0.000 2.346 44 M HA -0.165 4.319 4.480 0.007 0.000 0.263 44 M C 1.734 178.020 176.300 -0.023 0.000 1.064 44 M CA 2.038 57.292 55.300 -0.077 0.000 1.083 44 M CB -1.457 31.057 32.600 -0.144 0.000 1.399 44 M HN 0.313 nan 8.290 nan 0.000 0.435 45 T N -1.815 112.738 114.554 -0.002 0.000 2.881 45 T HA -0.088 4.266 4.350 0.007 0.000 0.270 45 T C 1.865 176.665 174.700 0.167 0.000 1.068 45 T CA 1.450 63.577 62.100 0.044 0.000 1.131 45 T CB -0.552 68.214 68.868 -0.170 0.000 0.871 45 T HN 0.589 nan 8.240 nan 0.000 0.479 46 R N 1.095 121.617 120.500 0.035 0.000 2.103 46 R HA -0.021 4.323 4.340 0.007 0.000 0.242 46 R C 2.625 178.926 176.300 0.001 0.000 1.142 46 R CA 1.574 57.593 56.100 -0.135 0.000 0.960 46 R CB -0.653 29.421 30.300 -0.376 0.000 0.858 46 R HN 0.566 nan 8.270 nan 0.000 0.439 47 G N -0.894 107.931 108.800 0.041 0.000 3.337 47 G HA2 0.036 4.000 3.960 0.007 0.000 0.246 47 G HA3 0.036 4.000 3.960 0.007 0.000 0.246 47 G C -0.169 174.852 174.900 0.202 0.000 1.131 47 G CA -0.581 44.567 45.100 0.080 0.000 0.773 47 G HN 0.150 nan 8.290 nan 0.000 0.544 48 F N 1.558 121.538 119.950 0.051 0.000 2.390 48 F HA 0.396 4.926 4.527 0.006 0.000 0.361 48 F C 0.608 176.494 175.800 0.144 0.000 1.124 48 F CA -1.226 56.831 58.000 0.096 0.000 1.149 48 F CB 0.435 39.495 39.000 0.100 0.000 1.160 48 F HN -0.088 nan 8.300 nan 0.000 0.501 49 L N 5.045 126.394 121.223 0.211 0.000 3.677 49 L HA -0.307 4.037 4.340 0.007 0.000 0.464 49 L C 0.038 176.933 176.870 0.043 0.000 1.278 49 L CA 0.255 55.108 54.840 0.022 0.000 0.806 49 L CB -1.443 40.497 42.059 -0.197 0.000 1.610 49 L HN 0.718 nan 8.230 nan 0.000 0.867 50 Q N 0.945 120.795 119.800 0.083 0.000 2.395 50 Q HA 0.002 4.346 4.340 0.007 0.000 0.271 50 Q C 1.322 177.349 176.000 0.044 0.000 1.026 50 Q CA 0.656 56.500 55.803 0.068 0.000 0.900 50 Q CB 0.595 29.372 28.738 0.066 0.000 1.266 50 Q HN 0.462 nan 8.270 nan 0.000 0.430 51 D N 0.743 121.167 120.400 0.040 0.000 2.366 51 D HA 0.019 4.663 4.640 0.007 0.000 0.205 51 D C -0.120 176.199 176.300 0.032 0.000 1.022 51 D CA 0.504 54.522 54.000 0.031 0.000 0.868 51 D CB 0.682 41.499 40.800 0.029 0.000 0.953 51 D HN 0.189 nan 8.370 nan 0.000 0.514 52 K N 1.315 121.736 120.400 0.035 0.000 2.427 52 K HA 0.393 4.717 4.320 0.007 0.000 0.252 52 K C -2.900 173.719 176.600 0.031 0.000 0.931 52 K CA -1.899 54.407 56.287 0.032 0.000 0.793 52 K CB 2.776 35.296 32.500 0.033 0.000 1.211 52 K HN -0.137 nan 8.250 nan 0.000 0.426 53 P HA -0.011 nan 4.420 nan 0.000 0.268 53 P C 0.014 177.326 177.300 0.020 0.000 1.204 53 P CA 0.343 63.457 63.100 0.024 0.000 0.768 53 P CB 0.296 32.008 31.700 0.021 0.000 0.842 54 N N 0.211 118.921 118.700 0.017 0.000 2.741 54 N HA -0.155 4.589 4.740 0.007 0.000 0.251 54 N C -1.181 174.334 175.510 0.007 0.000 1.112 54 N CA 0.094 53.149 53.050 0.008 0.000 0.750 54 N CB -0.548 37.942 38.487 0.006 0.000 1.119 54 N HN 0.136 nan 8.380 nan 0.000 0.561 55 V N 1.190 121.115 119.914 0.017 0.000 2.513 55 V HA 0.274 4.398 4.120 0.007 0.000 0.299 55 V C 0.096 176.205 176.094 0.025 0.000 1.035 55 V CA -0.831 61.482 62.300 0.023 0.000 0.889 55 V CB 1.749 33.594 31.823 0.036 0.000 0.988 55 V HN 0.076 nan 8.190 nan 0.000 0.440 56 D N 2.890 123.298 120.400 0.014 0.000 2.533 56 D HA 0.050 4.694 4.640 0.007 0.000 0.236 56 D C 0.732 177.097 176.300 0.109 0.000 1.137 56 D CA 0.418 54.427 54.000 0.014 0.000 0.867 56 D CB 0.953 41.752 40.800 -0.002 0.000 1.170 56 D HN 0.751 nan 8.370 nan 0.000 0.474 57 S N 1.828 117.614 115.700 0.144 0.000 2.589 57 S HA 0.068 4.542 4.470 0.007 0.000 0.265 57 S C 1.577 176.281 174.600 0.173 0.000 1.342 57 S CA -0.647 57.648 58.200 0.158 0.000 1.005 57 S CB 0.703 64.020 63.200 0.194 0.000 0.909 57 S HN 0.454 nan 8.310 nan 0.000 0.555 58 L N 0.574 121.858 121.223 0.102 0.000 2.191 58 L HA -0.059 4.285 4.340 0.007 0.000 0.212 58 L C 2.272 179.254 176.870 0.185 0.000 1.103 58 L CA 1.334 56.203 54.840 0.047 0.000 0.769 58 L CB -0.606 41.458 42.059 0.008 0.000 0.908 58 L HN 0.841 nan 8.230 nan 0.000 0.438 59 Y N -0.467 119.899 120.300 0.111 0.000 2.128 59 Y HA -0.404 4.149 4.550 0.006 0.000 0.284 59 Y C 2.572 178.643 175.900 0.285 0.000 1.154 59 Y CA 1.650 59.862 58.100 0.188 0.000 1.149 59 Y CB -0.087 38.428 38.460 0.092 0.000 0.976 59 Y HN 0.156 nan 8.280 nan 0.000 0.505 60 F N 0.920 121.035 119.950 0.276 0.000 2.084 60 F HA -0.241 4.289 4.527 0.006 0.000 0.296 60 F C 2.710 178.619 175.800 0.182 0.000 1.111 60 F CA 2.194 60.298 58.000 0.172 0.000 1.224 60 F CB -0.776 38.279 39.000 0.092 0.000 0.991 60 F HN 0.074 nan 8.300 nan 0.000 0.471 61 T N -1.266 113.330 114.554 0.071 0.000 2.788 61 T HA -0.227 4.127 4.350 0.007 0.000 0.268 61 T C 1.849 176.506 174.700 -0.071 0.000 1.044 61 T CA 1.670 63.702 62.100 -0.114 0.000 1.139 61 T CB -0.659 68.037 68.868 -0.287 0.000 0.867 61 T HN 0.399 nan 8.240 nan 0.000 0.454 62 M N -0.444 119.156 119.600 -0.000 0.000 2.619 62 M HA 0.277 4.761 4.480 0.007 0.000 0.251 62 M C 0.632 176.793 176.300 -0.232 0.000 1.106 62 M CA 0.936 56.229 55.300 -0.012 0.000 1.086 62 M CB -0.102 32.476 32.600 -0.037 0.000 1.465 62 M HN 0.228 nan 8.290 nan 0.000 0.506 63 F N -0.918 119.003 119.950 -0.048 0.000 2.706 63 F HA 0.232 4.762 4.527 0.006 0.000 0.313 63 F C 1.019 176.690 175.800 -0.215 0.000 1.096 63 F CA -0.070 57.877 58.000 -0.088 0.000 1.219 63 F CB 0.470 39.464 39.000 -0.009 0.000 1.051 63 F HN 0.092 nan 8.300 nan 0.000 0.568 64 N N -0.833 117.747 118.700 -0.199 0.000 2.307 64 N HA 0.138 4.882 4.740 0.007 0.000 0.248 64 N C -0.534 174.875 175.510 -0.168 0.000 1.322 64 N CA 0.095 52.953 53.050 -0.320 0.000 0.861 64 N CB 0.513 38.489 38.487 -0.851 0.000 1.303 64 N HN 0.014 nan 8.380 nan 0.000 0.498 65 C N 1.365 120.654 119.300 -0.018 0.000 2.700 65 C HA 0.083 4.547 4.460 0.007 0.000 0.397 65 C C 1.285 176.359 174.990 0.141 0.000 1.301 65 C CA 0.081 59.179 59.018 0.133 0.000 2.219 65 C CB -0.580 27.336 27.740 0.294 0.000 2.699 65 C HN 0.562 nan 8.230 nan 0.000 0.669 66 N N 0.468 119.264 118.700 0.160 0.000 2.740 66 N HA -0.171 4.573 4.740 0.007 0.000 0.248 66 N C -1.004 174.524 175.510 0.030 0.000 1.062 66 N CA 1.182 54.307 53.050 0.125 0.000 0.704 66 N CB -0.963 37.678 38.487 0.257 0.000 0.968 66 N HN 0.730 nan 8.380 nan 0.000 0.547 67 K N -0.070 120.331 120.400 0.001 0.000 2.477 67 K HA 0.523 4.847 4.320 0.007 0.000 0.255 67 K C -0.264 176.284 176.600 -0.088 0.000 0.952 67 K CA -0.783 55.481 56.287 -0.040 0.000 0.826 67 K CB 2.438 34.924 32.500 -0.024 0.000 1.331 67 K HN -0.003 nan 8.250 nan 0.000 0.437 68 R N 0.431 120.832 120.500 -0.165 0.000 2.604 68 R HA 0.374 4.718 4.340 0.007 0.000 0.287 68 R C -0.644 175.666 176.300 0.016 0.000 0.970 68 R CA -0.713 55.205 56.100 -0.303 0.000 0.946 68 R CB 2.033 32.004 30.300 -0.549 0.000 1.127 68 R HN 0.464 nan 8.270 nan 0.000 0.473 69 S N 2.444 118.299 115.700 0.259 0.000 2.437 69 S HA 0.494 4.968 4.470 0.007 0.000 0.305 69 S C -0.608 174.089 174.600 0.161 0.000 1.109 69 S CA -0.737 57.581 58.200 0.196 0.000 1.099 69 S CB 0.616 63.947 63.200 0.219 0.000 1.004 69 S HN 0.523 nan 8.310 nan 0.000 0.475 70 I N 3.612 124.229 120.570 0.078 0.000 2.509 70 I HA 0.514 4.688 4.170 0.007 0.000 0.293 70 I C -0.569 175.567 176.117 0.032 0.000 1.020 70 I CA -0.591 60.740 61.300 0.052 0.000 1.088 70 I CB 1.683 39.695 38.000 0.021 0.000 1.267 70 I HN 0.640 nan 8.210 nan 0.000 0.430 71 E N 6.411 126.628 120.200 0.030 0.000 2.283 71 E HA 0.498 4.852 4.350 0.007 0.000 0.278 71 E C -1.427 175.177 176.600 0.007 0.000 1.027 71 E CA -0.560 55.853 56.400 0.022 0.000 0.843 71 E CB 1.973 31.687 29.700 0.023 0.000 1.062 71 E HN 0.336 nan 8.360 nan 0.000 0.401 72 L N 2.938 124.173 121.223 0.020 0.000 2.526 72 L HA 0.248 4.592 4.340 0.007 0.000 0.263 72 L C -1.619 175.274 176.870 0.039 0.000 0.943 72 L CA -0.547 54.306 54.840 0.023 0.000 0.859 72 L CB 2.065 44.144 42.059 0.032 0.000 1.313 72 L HN 0.356 nan 8.230 nan 0.000 0.406 73 D N 4.790 125.208 120.400 0.029 0.000 2.441 73 D HA 0.246 4.889 4.640 0.007 0.000 0.221 73 D C 0.769 177.098 176.300 0.049 0.000 1.156 73 D CA -0.075 53.945 54.000 0.033 0.000 0.896 73 D CB 0.899 41.711 40.800 0.019 0.000 1.028 73 D HN 0.623 nan 8.370 nan 0.000 0.509 74 M N 2.180 121.820 119.600 0.067 0.000 2.619 74 M HA -0.005 4.479 4.480 0.007 0.000 0.251 74 M C 1.485 177.832 176.300 0.078 0.000 1.106 74 M CA 0.674 56.029 55.300 0.092 0.000 1.086 74 M CB 0.315 32.984 32.600 0.115 0.000 1.465 74 M HN 0.132 nan 8.290 nan 0.000 0.506 75 K N -0.001 120.425 120.400 0.043 0.000 2.459 75 K HA 0.011 4.335 4.320 0.007 0.000 0.193 75 K C 0.847 177.464 176.600 0.028 0.000 1.030 75 K CA 0.552 56.855 56.287 0.026 0.000 1.026 75 K CB -0.070 32.433 32.500 0.006 0.000 0.809 75 K HN 0.363 nan 8.250 nan 0.000 0.504 76 T N -1.745 112.831 114.554 0.037 0.000 2.922 76 T HA 0.207 4.561 4.350 0.007 0.000 0.285 76 T C -2.137 172.589 174.700 0.045 0.000 1.005 76 T CA -2.111 60.008 62.100 0.032 0.000 1.061 76 T CB 1.569 70.452 68.868 0.026 0.000 1.007 76 T HN -0.265 nan 8.240 nan 0.000 0.502 77 P HA -0.042 nan 4.420 nan 0.000 0.216 77 P C 1.142 178.474 177.300 0.053 0.000 1.150 77 P CA 0.999 64.121 63.100 0.038 0.000 0.837 77 P CB 0.088 31.800 31.700 0.021 0.000 0.786 78 E N -0.605 119.621 120.200 0.042 0.000 2.106 78 E HA -0.071 4.283 4.350 0.007 0.000 0.192 78 E C 2.293 178.927 176.600 0.056 0.000 0.984 78 E CA 1.440 57.864 56.400 0.041 0.000 0.806 78 E CB -1.340 28.374 29.700 0.023 0.000 0.750 78 E HN 0.220 nan 8.360 nan 0.000 0.458 79 G N 1.255 110.092 108.800 0.061 0.000 2.421 79 G HA2 -0.293 3.671 3.960 0.007 0.000 0.216 79 G HA3 -0.293 3.671 3.960 0.007 0.000 0.216 79 G C 1.362 176.340 174.900 0.130 0.000 1.171 79 G CA 0.761 45.908 45.100 0.077 0.000 0.775 79 G HN 0.146 nan 8.290 nan 0.000 0.543 80 K N 0.222 120.726 120.400 0.174 0.000 2.057 80 K HA -0.103 4.221 4.320 0.007 0.000 0.207 80 K C 2.351 179.127 176.600 0.294 0.000 1.049 80 K CA 1.302 57.776 56.287 0.310 0.000 0.931 80 K CB -0.166 32.489 32.500 0.258 0.000 0.714 80 K HN 0.476 nan 8.250 nan 0.000 0.440 81 E N 0.773 121.078 120.200 0.174 0.000 2.077 81 E HA -0.202 4.152 4.350 0.007 0.000 0.193 81 E C 1.923 178.595 176.600 0.120 0.000 0.989 81 E CA 0.742 57.225 56.400 0.139 0.000 0.800 81 E CB 0.134 29.887 29.700 0.087 0.000 0.746 81 E HN 0.027 nan 8.360 nan 0.000 0.452 82 L N 0.960 122.241 121.223 0.096 0.000 2.017 82 L HA -0.177 4.167 4.340 0.007 0.000 0.208 82 L C 2.356 179.266 176.870 0.067 0.000 1.073 82 L CA 1.437 56.316 54.840 0.064 0.000 0.745 82 L CB -0.993 41.091 42.059 0.041 0.000 0.894 82 L HN 0.321 nan 8.230 nan 0.000 0.432 83 L N -0.830 120.445 121.223 0.087 0.000 1.989 83 L HA -0.285 4.059 4.340 0.007 0.000 0.211 83 L C 2.532 179.435 176.870 0.055 0.000 1.071 83 L CA 1.558 56.416 54.840 0.030 0.000 0.749 83 L CB -0.446 41.553 42.059 -0.099 0.000 0.890 83 L HN 0.391 nan 8.230 nan 0.000 0.431 84 E N -0.463 119.852 120.200 0.192 0.000 2.070 84 E HA -0.317 4.037 4.350 0.007 0.000 0.197 84 E C 2.171 178.823 176.600 0.088 0.000 1.004 84 E CA 1.585 58.106 56.400 0.201 0.000 0.805 84 E CB -0.126 29.723 29.700 0.247 0.000 0.744 84 E HN 0.578 nan 8.360 nan 0.000 0.451 85 Q N -0.171 119.672 119.800 0.072 0.000 2.084 85 Q HA -0.139 4.205 4.340 0.007 0.000 0.202 85 Q C 2.198 178.211 176.000 0.022 0.000 0.978 85 Q CA 1.356 57.182 55.803 0.039 0.000 0.844 85 Q CB -0.071 28.688 28.738 0.035 0.000 0.898 85 Q HN 0.357 nan 8.270 nan 0.000 0.426 86 M N -0.144 119.467 119.600 0.019 0.000 2.200 86 M HA -0.116 4.368 4.480 0.007 0.000 0.265 86 M C 2.094 178.396 176.300 0.004 0.000 1.066 86 M CA 1.197 56.497 55.300 0.000 0.000 1.127 86 M CB -0.157 32.433 32.600 -0.017 0.000 1.379 86 M HN 0.211 nan 8.290 nan 0.000 0.420 87 I N 0.339 120.918 120.570 0.016 0.000 2.264 87 I HA -0.307 3.867 4.170 0.007 0.000 0.248 87 I C 2.151 178.273 176.117 0.009 0.000 1.111 87 I CA 1.421 62.734 61.300 0.023 0.000 1.382 87 I CB -0.374 37.642 38.000 0.026 0.000 1.060 87 I HN 0.268 nan 8.210 nan 0.000 0.418 88 K N 0.538 120.939 120.400 0.002 0.000 2.283 88 K HA -0.106 4.218 4.320 0.007 0.000 0.202 88 K C 1.661 178.256 176.600 -0.008 0.000 1.048 88 K CA 0.782 57.063 56.287 -0.009 0.000 0.948 88 K CB 0.088 32.583 32.500 -0.009 0.000 0.742 88 K HN 0.220 nan 8.250 nan 0.000 0.458 89 K N -0.101 120.296 120.400 -0.005 0.000 2.367 89 K HA 0.158 4.482 4.320 0.007 0.000 0.194 89 K C 0.542 177.136 176.600 -0.010 0.000 1.027 89 K CA 0.077 56.359 56.287 -0.009 0.000 1.075 89 K CB 0.725 33.219 32.500 -0.009 0.000 0.845 89 K HN 0.016 nan 8.250 nan 0.000 0.529 90 A N 1.447 124.265 122.820 -0.003 0.000 2.302 90 A HA 0.233 4.557 4.320 0.007 0.000 0.285 90 A C 0.320 177.906 177.584 0.004 0.000 1.105 90 A CA -0.399 51.639 52.037 0.001 0.000 0.816 90 A CB 0.636 19.647 19.000 0.018 0.000 1.067 90 A HN 0.016 nan 8.150 nan 0.000 0.489 91 D N -0.358 120.043 120.400 0.001 0.000 2.394 91 D HA 0.169 4.813 4.640 0.007 0.000 0.226 91 D C -0.245 176.069 176.300 0.022 0.000 0.990 91 D CA 1.236 55.237 54.000 0.001 0.000 0.902 91 D CB 0.655 41.445 40.800 -0.017 0.000 1.038 91 D HN 0.251 nan 8.370 nan 0.000 0.499 92 V N 1.764 121.693 119.914 0.025 0.000 2.686 92 V HA 0.362 4.486 4.120 0.007 0.000 0.306 92 V C -0.453 175.679 176.094 0.064 0.000 1.065 92 V CA -0.603 61.721 62.300 0.040 0.000 0.894 92 V CB 2.278 34.110 31.823 0.016 0.000 1.004 92 V HN -0.058 nan 8.190 nan 0.000 0.424 93 M N 4.377 124.041 119.600 0.107 0.000 2.205 93 M HA 0.692 5.176 4.480 0.007 0.000 0.344 93 M C -1.085 175.300 176.300 0.143 0.000 1.085 93 M CA -0.711 54.700 55.300 0.184 0.000 1.001 93 M CB 2.027 34.774 32.600 0.245 0.000 1.626 93 M HN 0.412 nan 8.290 nan 0.000 0.442 94 V N 2.609 122.627 119.914 0.174 0.000 2.487 94 V HA 0.605 4.728 4.120 0.007 0.000 0.298 94 V C -0.698 175.460 176.094 0.106 0.000 1.028 94 V CA -0.613 61.737 62.300 0.082 0.000 0.860 94 V CB 1.764 33.597 31.823 0.017 0.000 0.991 94 V HN 0.933 nan 8.190 nan 0.000 0.427 95 E N 2.707 122.887 120.200 -0.033 0.000 2.408 95 E HA 0.603 4.957 4.350 0.007 0.000 0.275 95 E C -0.688 175.752 176.600 -0.267 0.000 0.935 95 E CA -0.995 55.285 56.400 -0.201 0.000 0.775 95 E CB 1.637 31.196 29.700 -0.235 0.000 1.277 95 E HN 0.630 nan 8.360 nan 0.000 0.455 96 N N 0.580 119.007 118.700 -0.456 0.000 2.536 96 N HA 0.247 4.991 4.740 0.007 0.000 0.286 96 N C -1.297 174.056 175.510 -0.262 0.000 1.577 96 N CA -0.600 52.248 53.050 -0.337 0.000 0.883 96 N CB -0.040 38.228 38.487 -0.366 0.000 1.390 96 N HN 0.280 nan 8.380 nan 0.000 0.491 97 F N 0.554 120.492 119.950 -0.020 0.000 2.426 97 F HA 0.468 4.999 4.527 0.006 0.000 0.309 97 F C 1.902 177.708 175.800 0.010 0.000 1.246 97 F CA -0.420 57.601 58.000 0.036 0.000 1.229 97 F CB 0.402 39.418 39.000 0.027 0.000 1.255 97 F HN 0.135 nan 8.300 nan 0.000 0.558 98 G N 0.206 109.160 108.800 0.257 0.000 2.636 98 G HA2 0.321 4.285 3.960 0.007 0.000 0.246 98 G HA3 0.321 4.285 3.960 0.007 0.000 0.246 98 G C -2.713 172.266 174.900 0.132 0.000 1.216 98 G CA -1.222 43.963 45.100 0.142 0.000 0.854 98 G HN 0.269 nan 8.290 nan 0.000 0.572 99 P HA 0.133 nan 4.420 nan 0.000 0.258 99 P C 0.999 178.371 177.300 0.119 0.000 1.172 99 P CA 1.602 64.781 63.100 0.132 0.000 0.762 99 P CB 0.658 32.499 31.700 0.236 0.000 0.764 100 G N 3.127 111.985 108.800 0.095 0.000 2.184 100 G HA2 -0.362 3.602 3.960 0.007 0.000 0.264 100 G HA3 -0.362 3.602 3.960 0.007 0.000 0.264 100 G C 1.224 176.148 174.900 0.040 0.000 0.975 100 G CA 0.551 45.693 45.100 0.070 0.000 0.642 100 G HN 0.671 nan 8.290 nan 0.000 0.536 101 A N 0.079 122.921 122.820 0.037 0.000 1.883 101 A HA 0.156 4.480 4.320 0.007 0.000 0.217 101 A C 2.389 179.924 177.584 -0.082 0.000 1.186 101 A CA 1.980 53.988 52.037 -0.049 0.000 0.624 101 A CB -0.380 18.577 19.000 -0.070 0.000 0.822 101 A HN 0.946 nan 8.150 nan 0.000 0.444 102 L N -0.691 120.534 121.223 0.004 0.000 2.093 102 L HA -0.163 4.181 4.340 0.007 0.000 0.208 102 L C 1.835 178.762 176.870 0.094 0.000 1.085 102 L CA 1.678 56.535 54.840 0.028 0.000 0.755 102 L CB -0.537 41.565 42.059 0.072 0.000 0.904 102 L HN 0.383 nan 8.230 nan 0.000 0.435 103 D N -0.117 120.332 120.400 0.082 0.000 2.117 103 D HA -0.189 4.455 4.640 0.007 0.000 0.197 103 D C 2.226 178.541 176.300 0.024 0.000 0.987 103 D CA 1.143 55.187 54.000 0.073 0.000 0.829 103 D CB -0.129 40.708 40.800 0.061 0.000 0.961 103 D HN 0.296 nan 8.370 nan 0.000 0.460 104 R N -0.105 120.396 120.500 0.002 0.000 2.115 104 R HA 0.062 4.406 4.340 0.007 0.000 0.230 104 R C 2.192 178.478 176.300 -0.024 0.000 1.111 104 R CA 0.654 56.739 56.100 -0.026 0.000 0.976 104 R CB -0.187 30.090 30.300 -0.039 0.000 0.870 104 R HN 0.228 nan 8.270 nan 0.000 0.445 105 M N -0.531 119.071 119.600 0.004 0.000 2.686 105 M HA 0.056 4.540 4.480 0.007 0.000 0.246 105 M C 0.793 177.186 176.300 0.156 0.000 1.096 105 M CA 0.985 56.328 55.300 0.071 0.000 1.076 105 M CB 0.628 33.264 32.600 0.059 0.000 1.504 105 M HN 0.465 nan 8.290 nan 0.000 0.524 106 G N 0.229 109.033 108.800 0.006 0.000 2.138 106 G HA2 -0.227 3.737 3.960 0.007 0.000 0.193 106 G HA3 -0.227 3.737 3.960 0.007 0.000 0.193 106 G C -0.267 174.299 174.900 -0.557 0.000 0.998 106 G CA -0.742 44.178 45.100 -0.301 0.000 0.668 106 G HN 0.426 nan 8.290 nan 0.000 0.516 107 F N 2.323 122.311 119.950 0.064 0.000 2.660 107 F HA 0.429 4.960 4.527 0.006 0.000 0.352 107 F C 0.987 176.884 175.800 0.160 0.000 1.257 107 F CA -0.221 57.891 58.000 0.186 0.000 1.200 107 F CB 0.867 39.957 39.000 0.151 0.000 1.473 107 F HN 0.229 nan 8.300 nan 0.000 0.561 108 T N -2.427 112.277 114.554 0.249 0.000 2.813 108 T HA -0.094 4.259 4.350 0.007 0.000 0.297 108 T C 1.255 176.146 174.700 0.318 0.000 1.036 108 T CA -0.554 61.687 62.100 0.235 0.000 1.044 108 T CB 1.030 69.986 68.868 0.147 0.000 0.993 108 T HN 0.709 nan 8.240 nan 0.000 0.535 109 W N 1.287 122.651 121.300 0.106 0.000 2.338 109 W HA -0.189 4.475 4.660 0.007 0.000 0.304 109 W C 1.522 178.094 176.519 0.087 0.000 1.212 109 W CA 1.535 58.931 57.345 0.086 0.000 1.264 109 W CB -0.128 29.366 29.460 0.057 0.000 1.142 109 W HN 0.813 nan 8.180 nan 0.000 0.512 110 E N -0.118 120.052 120.200 -0.050 0.000 2.077 110 E HA -0.271 4.083 4.350 0.007 0.000 0.193 110 E C 1.768 178.309 176.600 -0.100 0.000 0.989 110 E CA 1.942 58.240 56.400 -0.169 0.000 0.800 110 E CB -1.194 28.492 29.700 -0.023 0.000 0.746 110 E HN 0.374 nan 8.360 nan 0.000 0.452 111 Y N 0.613 120.854 120.300 -0.097 0.000 2.200 111 Y HA -0.122 4.432 4.550 0.006 0.000 0.290 111 Y C 1.846 177.718 175.900 -0.046 0.000 1.137 111 Y CA 1.160 59.218 58.100 -0.070 0.000 1.163 111 Y CB -0.243 38.180 38.460 -0.062 0.000 0.988 111 Y HN -0.006 nan 8.280 nan 0.000 0.518 112 I N 0.010 120.554 120.570 -0.045 0.000 2.208 112 I HA -0.389 3.785 4.170 0.007 0.000 0.245 112 I C 2.406 178.352 176.117 -0.285 0.000 1.097 112 I CA 1.722 62.965 61.300 -0.095 0.000 1.363 112 I CB -0.499 37.577 38.000 0.126 0.000 1.051 112 I HN 0.287 nan 8.210 nan 0.000 0.413 113 Q N 0.169 119.661 119.800 -0.513 0.000 2.135 113 Q HA -0.279 4.065 4.340 0.007 0.000 0.204 113 Q C 2.168 177.983 176.000 -0.309 0.000 0.981 113 Q CA 1.697 57.179 55.803 -0.535 0.000 0.856 113 Q CB -0.189 28.104 28.738 -0.741 0.000 0.902 113 Q HN 0.515 nan 8.270 nan 0.000 0.425 114 E N 0.708 120.743 120.200 -0.274 0.000 2.051 114 E HA -0.203 4.151 4.350 0.007 0.000 0.192 114 E C 1.971 178.437 176.600 -0.222 0.000 0.991 114 E CA 0.842 57.118 56.400 -0.207 0.000 0.799 114 E CB -0.010 29.595 29.700 -0.159 0.000 0.748 114 E HN 0.310 nan 8.360 nan 0.000 0.449 115 L N 0.065 121.098 121.223 -0.316 0.000 2.046 115 L HA -0.107 4.237 4.340 0.007 0.000 0.208 115 L C 1.152 177.938 176.870 -0.141 0.000 1.077 115 L CA 0.700 55.392 54.840 -0.246 0.000 0.747 115 L CB -0.105 41.787 42.059 -0.279 0.000 0.896 115 L HN 0.105 nan 8.230 nan 0.000 0.432 116 N N -1.441 117.177 118.700 -0.136 0.000 2.629 116 N HA 0.174 4.918 4.740 0.007 0.000 0.277 116 N C -2.277 173.173 175.510 -0.100 0.000 1.188 116 N CA -1.456 51.541 53.050 -0.087 0.000 0.835 116 N CB 1.498 39.958 38.487 -0.046 0.000 1.420 116 N HN -0.282 nan 8.380 nan 0.000 0.542 117 P HA 0.003 nan 4.420 nan 0.000 0.223 117 P C 0.697 177.972 177.300 -0.042 0.000 1.144 117 P CA 1.018 64.063 63.100 -0.090 0.000 0.783 117 P CB 0.404 32.062 31.700 -0.070 0.000 0.771 118 R N -1.363 119.121 120.500 -0.026 0.000 2.280 118 R HA 0.152 4.495 4.340 0.007 0.000 0.195 118 R C 0.515 176.832 176.300 0.029 0.000 0.935 118 R CA -0.110 55.986 56.100 -0.006 0.000 1.033 118 R CB -0.084 30.201 30.300 -0.025 0.000 0.964 118 R HN 0.076 nan 8.270 nan 0.000 0.489 119 V N 2.123 122.066 119.914 0.048 0.000 2.555 119 V HA 0.161 4.285 4.120 0.007 0.000 0.286 119 V C -0.034 176.184 176.094 0.206 0.000 1.044 119 V CA -0.133 62.226 62.300 0.098 0.000 1.026 119 V CB 0.690 32.569 31.823 0.092 0.000 0.981 119 V HN 0.064 nan 8.190 nan 0.000 0.480 120 I N 6.958 127.619 120.570 0.153 0.000 2.353 120 I HA 0.312 4.486 4.170 0.007 0.000 0.293 120 I C -0.442 175.744 176.117 0.115 0.000 0.992 120 I CA -0.438 60.944 61.300 0.137 0.000 1.268 120 I CB 1.558 39.589 38.000 0.052 0.000 1.387 120 I HN 0.450 nan 8.210 nan 0.000 0.478 121 L N 7.505 128.746 121.223 0.029 0.000 2.280 121 L HA 0.731 5.075 4.340 0.007 0.000 0.287 121 L C -0.316 176.483 176.870 -0.117 0.000 1.023 121 L CA -0.152 54.675 54.840 -0.021 0.000 0.819 121 L CB 0.927 42.965 42.059 -0.035 0.000 1.212 121 L HN 0.653 nan 8.230 nan 0.000 0.420 122 A N 3.650 126.440 122.820 -0.051 0.000 2.318 122 A HA 0.867 5.191 4.320 0.007 0.000 0.317 122 A C -0.625 176.923 177.584 -0.059 0.000 1.159 122 A CA -0.444 51.556 52.037 -0.062 0.000 0.799 122 A CB 1.008 19.987 19.000 -0.034 0.000 1.194 122 A HN 0.674 nan 8.150 nan 0.000 0.479 123 S N 0.621 116.276 115.700 -0.075 0.000 2.521 123 S HA 0.587 5.061 4.470 0.007 0.000 0.295 123 S C -0.574 173.982 174.600 -0.075 0.000 1.098 123 S CA -0.533 57.622 58.200 -0.076 0.000 0.999 123 S CB 1.752 64.909 63.200 -0.072 0.000 1.034 123 S HN 0.619 nan 8.310 nan 0.000 0.483 124 V N 3.539 123.399 119.914 -0.089 0.000 2.394 124 V HA 0.464 4.588 4.120 0.007 0.000 0.282 124 V C -0.084 175.957 176.094 -0.090 0.000 1.031 124 V CA -0.498 61.749 62.300 -0.090 0.000 0.881 124 V CB 1.040 32.800 31.823 -0.105 0.000 0.982 124 V HN 0.757 nan 8.190 nan 0.000 0.451 125 K N 2.445 122.796 120.400 -0.081 0.000 2.350 125 K HA 0.643 4.967 4.320 0.007 0.000 0.241 125 K C 1.172 177.715 176.600 -0.095 0.000 0.994 125 K CA -0.296 55.949 56.287 -0.069 0.000 0.839 125 K CB 1.973 34.443 32.500 -0.051 0.000 1.244 125 K HN 0.599 nan 8.250 nan 0.000 0.443 126 G N 0.206 108.961 108.800 -0.076 0.000 2.404 126 G HA2 -0.060 3.904 3.960 0.007 0.000 0.213 126 G HA3 -0.060 3.904 3.960 0.007 0.000 0.213 126 G C -0.306 174.419 174.900 -0.292 0.000 1.189 126 G CA 1.007 46.023 45.100 -0.139 0.000 0.796 126 G HN 0.414 nan 8.290 nan 0.000 0.532 127 Y N -0.315 119.893 120.300 -0.153 0.000 2.524 127 Y HA 0.641 5.194 4.550 0.006 0.000 0.344 127 Y C 0.519 176.337 175.900 -0.137 0.000 1.012 127 Y CA -1.054 56.913 58.100 -0.221 0.000 1.068 127 Y CB 1.850 40.102 38.460 -0.348 0.000 1.249 127 Y HN 0.267 nan 8.280 nan 0.000 0.468 128 A N 1.477 124.344 122.820 0.079 0.000 2.445 128 A HA 0.109 4.433 4.320 0.007 0.000 0.242 128 A C 0.101 177.727 177.584 0.069 0.000 1.075 128 A CA -0.421 51.658 52.037 0.070 0.000 0.777 128 A CB -0.022 19.042 19.000 0.106 0.000 1.013 128 A HN 0.798 nan 8.150 nan 0.000 0.493 129 E N 0.665 120.873 120.200 0.012 0.000 2.415 129 E HA 0.346 4.700 4.350 0.007 0.000 0.260 129 E C 1.205 177.809 176.600 0.008 0.000 1.016 129 E CA 1.021 57.411 56.400 -0.016 0.000 0.924 129 E CB -0.038 29.645 29.700 -0.027 0.000 0.961 129 E HN 1.248 nan 8.360 nan 0.000 0.459 130 G N 3.804 112.603 108.800 -0.001 0.000 2.307 130 G HA2 -0.280 3.684 3.960 0.007 0.000 0.210 130 G HA3 -0.280 3.684 3.960 0.007 0.000 0.210 130 G C 0.149 175.062 174.900 0.022 0.000 1.005 130 G CA 0.134 45.239 45.100 0.008 0.000 0.634 130 G HN 0.768 nan 8.290 nan 0.000 0.496 131 H N 0.957 120.008 119.070 -0.032 0.000 2.929 131 H HA 0.475 5.035 4.556 0.006 0.000 0.358 131 H C 1.818 177.098 175.328 -0.079 0.000 1.111 131 H CA 1.019 57.049 56.048 -0.030 0.000 1.409 131 H CB 1.217 30.994 29.762 0.026 0.000 1.373 131 H HN 0.404 nan 8.280 nan 0.000 0.610 132 A N 3.229 126.071 122.820 0.037 0.000 2.125 132 A HA -0.180 4.144 4.320 0.007 0.000 0.219 132 A C 1.620 179.207 177.584 0.004 0.000 1.156 132 A CA 1.795 53.846 52.037 0.024 0.000 0.671 132 A CB -0.298 18.692 19.000 -0.016 0.000 0.794 132 A HN 0.902 nan 8.150 nan 0.000 0.459 133 N N -0.850 117.823 118.700 -0.045 0.000 2.235 133 N HA 0.068 4.812 4.740 0.007 0.000 0.231 133 N C 1.093 176.384 175.510 -0.364 0.000 1.177 133 N CA 0.470 53.266 53.050 -0.424 0.000 0.874 133 N CB 0.156 37.903 38.487 -1.234 0.000 1.097 133 N HN 0.647 nan 8.380 nan 0.000 0.518 134 E N -0.865 119.224 120.200 -0.184 0.000 2.409 134 E HA -0.188 4.166 4.350 0.007 0.000 0.198 134 E C 0.716 177.177 176.600 -0.232 0.000 1.024 134 E CA 1.134 57.424 56.400 -0.184 0.000 0.861 134 E CB -0.044 29.502 29.700 -0.258 0.000 0.788 134 E HN 0.506 nan 8.360 nan 0.000 0.521 135 H N 0.314 119.387 119.070 0.005 0.000 2.516 135 H HA 0.166 4.726 4.556 0.006 0.000 0.284 135 H C 1.003 176.342 175.328 0.020 0.000 0.999 135 H CA 0.347 56.403 56.048 0.014 0.000 1.303 135 H CB 0.228 29.992 29.762 0.003 0.000 1.452 135 H HN 0.199 nan 8.280 nan 0.000 0.530 136 L N 0.202 121.497 121.223 0.120 0.000 2.439 136 L HA 0.474 4.818 4.340 0.007 0.000 0.259 136 L C 0.026 176.951 176.870 0.091 0.000 1.129 136 L CA -1.083 53.810 54.840 0.088 0.000 0.803 136 L CB 0.581 42.675 42.059 0.059 0.000 1.161 136 L HN -0.364 nan 8.230 nan 0.000 0.462 137 K N 0.481 120.916 120.400 0.059 0.000 2.126 137 K HA 0.693 5.016 4.320 0.007 0.000 0.257 137 K C -1.011 175.598 176.600 0.014 0.000 1.007 137 K CA -0.297 55.990 56.287 -0.001 0.000 0.928 137 K CB 1.338 33.798 32.500 -0.066 0.000 1.013 137 K HN 0.513 nan 8.250 nan 0.000 0.473 138 V N 3.142 123.012 119.914 -0.074 0.000 2.509 138 V HA 0.236 4.360 4.120 0.007 0.000 0.289 138 V C -1.192 174.839 176.094 -0.105 0.000 1.026 138 V CA -0.943 61.335 62.300 -0.037 0.000 0.872 138 V CB 0.394 32.180 31.823 -0.062 0.000 1.017 138 V HN 0.581 nan 8.190 nan 0.000 0.436 139 Y N 1.341 121.652 120.300 0.018 0.000 2.281 139 Y HA 0.218 4.772 4.550 0.006 0.000 0.337 139 Y C 1.772 177.678 175.900 0.010 0.000 1.304 139 Y CA 0.365 58.480 58.100 0.024 0.000 1.465 139 Y CB 0.601 39.087 38.460 0.043 0.000 1.350 139 Y HN 0.764 nan 8.280 nan 0.000 0.575 140 E N 1.126 121.448 120.200 0.203 0.000 2.082 140 E HA -0.341 4.013 4.350 0.007 0.000 0.215 140 E C 1.248 177.893 176.600 0.074 0.000 1.048 140 E CA 2.597 59.060 56.400 0.106 0.000 0.869 140 E CB -0.285 29.480 29.700 0.108 0.000 0.773 140 E HN 0.685 nan 8.360 nan 0.000 0.466 141 N N -0.634 118.119 118.700 0.089 0.000 2.409 141 N HA -0.050 4.694 4.740 0.007 0.000 0.179 141 N C 1.728 177.269 175.510 0.052 0.000 1.032 141 N CA 0.977 54.059 53.050 0.053 0.000 0.898 141 N CB -0.028 38.483 38.487 0.041 0.000 0.971 141 N HN 0.109 nan 8.380 nan 0.000 0.441 142 V N 1.399 121.362 119.914 0.082 0.000 2.295 142 V HA -0.194 3.930 4.120 0.007 0.000 0.246 142 V C 2.421 178.519 176.094 0.007 0.000 1.049 142 V CA 1.840 64.182 62.300 0.071 0.000 1.024 142 V CB -0.939 30.956 31.823 0.121 0.000 0.648 142 V HN 0.270 nan 8.190 nan 0.000 0.447 143 A N -0.847 121.953 122.820 -0.033 0.000 1.902 143 A HA -0.286 4.038 4.320 0.007 0.000 0.217 143 A C 2.182 179.722 177.584 -0.073 0.000 1.181 143 A CA 1.906 53.878 52.037 -0.109 0.000 0.623 143 A CB -0.512 18.415 19.000 -0.122 0.000 0.818 143 A HN 0.625 nan 8.150 nan 0.000 0.443 144 Q N -0.964 118.819 119.800 -0.030 0.000 2.096 144 Q HA -0.223 4.121 4.340 0.007 0.000 0.204 144 Q C 2.347 178.344 176.000 -0.006 0.000 0.982 144 Q CA 1.791 57.584 55.803 -0.016 0.000 0.850 144 Q CB -0.477 28.261 28.738 -0.000 0.000 0.901 144 Q HN 0.781 nan 8.270 nan 0.000 0.422 145 C N 0.199 119.503 119.300 0.006 0.000 2.466 145 C HA -0.078 4.386 4.460 0.007 0.000 0.278 145 C C 3.156 178.161 174.990 0.025 0.000 1.288 145 C CA 1.040 60.072 59.018 0.023 0.000 1.722 145 C CB -0.961 26.802 27.740 0.039 0.000 2.017 145 C HN 0.654 nan 8.230 nan 0.000 0.488 146 S N 0.862 116.564 115.700 0.004 0.000 2.423 146 S HA -0.008 4.466 4.470 0.007 0.000 0.231 146 S C 1.730 176.322 174.600 -0.015 0.000 1.014 146 S CA 1.571 59.775 58.200 0.007 0.000 0.965 146 S CB -0.542 62.602 63.200 -0.094 0.000 0.785 146 S HN 0.609 nan 8.310 nan 0.000 0.495 147 G N -0.413 108.361 108.800 -0.042 0.000 3.088 147 G HA2 0.465 4.429 3.960 0.007 0.000 0.217 147 G HA3 0.465 4.429 3.960 0.007 0.000 0.217 147 G C 1.003 175.901 174.900 -0.003 0.000 1.159 147 G CA 0.023 45.100 45.100 -0.038 0.000 0.760 147 G HN 1.332 nan 8.290 nan 0.000 0.550 148 G N -0.729 108.079 108.800 0.014 0.000 2.194 148 G HA2 -0.070 3.894 3.960 0.007 0.000 0.236 148 G HA3 -0.070 3.894 3.960 0.007 0.000 0.236 148 G C 1.403 176.321 174.900 0.029 0.000 0.987 148 G CA 0.973 46.090 45.100 0.029 0.000 0.635 148 G HN 1.060 nan 8.290 nan 0.000 0.520 149 A N 0.729 123.557 122.820 0.015 0.000 1.873 149 A HA 0.449 4.773 4.320 0.007 0.000 0.215 149 A C 2.849 180.444 177.584 0.019 0.000 1.186 149 A CA 2.912 54.957 52.037 0.013 0.000 0.616 149 A CB -0.969 18.031 19.000 0.000 0.000 0.823 149 A HN 1.776 nan 8.150 nan 0.000 0.442 150 A N -0.051 122.781 122.820 0.020 0.000 1.908 150 A HA 0.120 4.444 4.320 0.007 0.000 0.218 150 A C 2.491 180.096 177.584 0.036 0.000 1.181 150 A CA 2.215 54.267 52.037 0.024 0.000 0.627 150 A CB -1.068 17.948 19.000 0.026 0.000 0.818 150 A HN 1.137 nan 8.150 nan 0.000 0.445 151 A N -0.625 122.222 122.820 0.044 0.000 2.019 151 A HA -0.041 4.283 4.320 0.007 0.000 0.219 151 A C 2.096 179.723 177.584 0.073 0.000 1.164 151 A CA 2.218 54.290 52.037 0.058 0.000 0.644 151 A CB -0.919 18.116 19.000 0.058 0.000 0.805 151 A HN 0.867 nan 8.150 nan 0.000 0.449 152 T N -4.221 110.375 114.554 0.069 0.000 3.129 152 T HA 0.312 4.666 4.350 0.007 0.000 0.267 152 T C 0.171 174.905 174.700 0.056 0.000 1.018 152 T CA 0.259 62.414 62.100 0.091 0.000 0.903 152 T CB 0.011 68.940 68.868 0.103 0.000 1.067 152 T HN 0.089 nan 8.240 nan 0.000 0.549 153 T N 1.473 116.044 114.554 0.028 0.000 2.824 153 T HA 0.707 5.061 4.350 0.007 0.000 0.282 153 T C 0.454 175.146 174.700 -0.013 0.000 0.993 153 T CA 0.141 62.234 62.100 -0.011 0.000 0.967 153 T CB 1.352 70.212 68.868 -0.013 0.000 0.960 153 T HN 0.773 nan 8.240 nan 0.000 0.441 154 G N 2.355 111.116 108.800 -0.065 0.000 2.378 154 G HA2 0.041 4.005 3.960 0.007 0.000 0.198 154 G HA3 0.041 4.005 3.960 0.007 0.000 0.198 154 G C -1.561 173.241 174.900 -0.163 0.000 1.223 154 G CA -0.931 44.154 45.100 -0.024 0.000 1.088 154 G HN 0.562 nan 8.290 nan 0.000 0.530 155 F N 0.464 120.312 119.950 -0.170 0.000 2.507 155 F HA 0.554 5.084 4.527 0.005 0.000 0.327 155 F C 1.387 177.041 175.800 -0.242 0.000 1.068 155 F CA 0.100 57.874 58.000 -0.377 0.000 0.965 155 F CB 1.377 39.986 39.000 -0.652 0.000 1.192 155 F HN 0.759 nan 8.300 nan 0.000 0.476 156 W N 0.048 121.496 121.300 0.246 0.000 2.387 156 W HA -0.103 4.560 4.660 0.005 0.000 0.272 156 W C 0.985 177.585 176.519 0.136 0.000 1.224 156 W CA 1.163 58.601 57.345 0.154 0.000 1.210 156 W CB -0.815 28.721 29.460 0.127 0.000 1.125 156 W HN 0.425 nan 8.180 nan 0.000 0.572 157 D N -0.525 119.822 120.400 -0.089 0.000 2.402 157 D HA 0.286 4.930 4.640 0.007 0.000 0.216 157 D C 0.853 177.144 176.300 -0.015 0.000 1.128 157 D CA 0.282 54.297 54.000 0.024 0.000 0.833 157 D CB -0.278 40.536 40.800 0.023 0.000 0.971 157 D HN 0.176 nan 8.370 nan 0.000 0.503 158 G N 0.410 109.201 108.800 -0.015 0.000 3.140 158 G HA2 0.610 4.573 3.960 0.007 0.000 0.271 158 G HA3 0.610 4.573 3.960 0.007 0.000 0.271 158 G C -2.862 172.056 174.900 0.029 0.000 1.370 158 G CA -1.378 43.720 45.100 -0.004 0.000 1.014 158 G HN -0.063 nan 8.290 nan 0.000 0.541 159 P HA 0.365 nan 4.420 nan 0.000 0.276 159 P C -2.762 174.561 177.300 0.038 0.000 1.252 159 P CA -1.410 61.709 63.100 0.031 0.000 0.802 159 P CB 0.470 32.182 31.700 0.020 0.000 1.035 160 P HA 0.084 nan 4.420 nan 0.000 0.265 160 P C -0.459 176.857 177.300 0.027 0.000 1.187 160 P CA 0.808 63.931 63.100 0.038 0.000 0.766 160 P CB -0.023 31.700 31.700 0.038 0.000 0.820 161 T N 1.658 116.225 114.554 0.022 0.000 2.848 161 T HA 0.405 4.759 4.350 0.007 0.000 0.285 161 T C -0.055 174.649 174.700 0.007 0.000 0.995 161 T CA -0.668 61.440 62.100 0.013 0.000 0.970 161 T CB 1.070 69.946 68.868 0.014 0.000 0.976 161 T HN 0.284 nan 8.240 nan 0.000 0.441 162 V N 1.469 121.385 119.914 0.004 0.000 2.881 162 V HA 0.662 4.786 4.120 0.007 0.000 0.303 162 V C 0.621 176.711 176.094 -0.008 0.000 1.070 162 V CA -0.619 61.681 62.300 0.001 0.000 1.074 162 V CB 1.356 33.181 31.823 0.004 0.000 1.012 162 V HN 0.851 nan 8.190 nan 0.000 0.482 163 S N 2.922 118.616 115.700 -0.010 0.000 2.565 163 S HA 0.494 4.968 4.470 0.007 0.000 0.274 163 S C 1.398 175.989 174.600 -0.015 0.000 1.309 163 S CA 0.061 58.250 58.200 -0.017 0.000 1.043 163 S CB 0.933 64.122 63.200 -0.018 0.000 0.939 163 S HN 1.433 nan 8.310 nan 0.000 0.504 164 G N 3.250 112.037 108.800 -0.022 0.000 2.432 164 G HA2 0.119 4.083 3.960 0.007 0.000 0.219 164 G HA3 0.119 4.083 3.960 0.007 0.000 0.219 164 G C 0.631 175.522 174.900 -0.014 0.000 1.135 164 G CA 0.563 45.651 45.100 -0.021 0.000 0.767 164 G HN 1.096 nan 8.290 nan 0.000 0.550 165 A N 0.207 123.019 122.820 -0.013 0.000 2.445 165 A HA 0.608 4.932 4.320 0.007 0.000 0.242 165 A C 0.976 178.568 177.584 0.013 0.000 1.075 165 A CA 0.359 52.395 52.037 -0.001 0.000 0.777 165 A CB 0.446 19.442 19.000 -0.007 0.000 1.013 165 A HN 0.995 nan 8.150 nan 0.000 0.493 166 A N 2.846 125.686 122.820 0.033 0.000 3.048 166 A HA 0.386 4.710 4.320 0.007 0.000 0.264 166 A C 1.044 178.652 177.584 0.040 0.000 1.796 166 A CA -0.287 51.778 52.037 0.047 0.000 1.445 166 A CB -0.947 18.105 19.000 0.086 0.000 1.074 166 A HN 0.850 nan 8.150 nan 0.000 0.621 167 L N 0.470 121.706 121.223 0.022 0.000 2.131 167 L HA -0.153 4.191 4.340 0.007 0.000 0.210 167 L C 2.596 179.463 176.870 -0.004 0.000 1.092 167 L CA 1.389 56.236 54.840 0.012 0.000 0.759 167 L CB -0.353 41.706 42.059 -0.001 0.000 0.903 167 L HN 0.666 nan 8.230 nan 0.000 0.435 168 G N -0.504 108.294 108.800 -0.004 0.000 2.473 168 G HA2 -0.158 3.806 3.960 0.007 0.000 0.212 168 G HA3 -0.158 3.806 3.960 0.007 0.000 0.212 168 G C 0.994 175.887 174.900 -0.013 0.000 1.211 168 G CA 0.503 45.589 45.100 -0.023 0.000 0.813 168 G HN 0.211 nan 8.290 nan 0.000 0.541 169 D N 0.526 120.935 120.400 0.016 0.000 2.121 169 D HA 0.023 4.667 4.640 0.007 0.000 0.209 169 D C 2.933 179.263 176.300 0.050 0.000 0.981 169 D CA 1.219 55.230 54.000 0.018 0.000 0.875 169 D CB -0.625 40.190 40.800 0.026 0.000 1.016 169 D HN 0.161 nan 8.370 nan 0.000 0.452 170 S N 0.591 116.351 115.700 0.100 0.000 2.382 170 S HA -0.182 4.292 4.470 0.007 0.000 0.228 170 S C 1.670 176.340 174.600 0.117 0.000 1.027 170 S CA 1.151 59.439 58.200 0.146 0.000 0.991 170 S CB -0.357 62.965 63.200 0.203 0.000 0.823 170 S HN 0.239 nan 8.310 nan 0.000 0.469 171 N N 1.556 120.318 118.700 0.103 0.000 2.120 171 N HA -0.078 4.666 4.740 0.007 0.000 0.188 171 N C 1.625 177.257 175.510 0.203 0.000 1.024 171 N CA 1.875 55.014 53.050 0.148 0.000 0.852 171 N CB -0.443 38.107 38.487 0.105 0.000 1.003 171 N HN 0.204 nan 8.380 nan 0.000 0.424 172 S N -0.846 114.898 115.700 0.074 0.000 2.368 172 S HA -0.034 4.439 4.470 0.007 0.000 0.225 172 S C 1.951 176.597 174.600 0.077 0.000 1.030 172 S CA 1.159 59.377 58.200 0.030 0.000 0.999 172 S CB -1.019 62.155 63.200 -0.044 0.000 0.844 172 S HN 0.641 nan 8.310 nan 0.000 0.459 173 G N 1.917 110.757 108.800 0.067 0.000 2.440 173 G HA2 -0.200 3.764 3.960 0.007 0.000 0.218 173 G HA3 -0.200 3.764 3.960 0.007 0.000 0.218 173 G C 1.345 176.293 174.900 0.081 0.000 1.154 173 G CA 0.970 46.106 45.100 0.060 0.000 0.767 173 G HN 0.305 nan 8.290 nan 0.000 0.552 174 M N 0.080 119.746 119.600 0.110 0.000 2.175 174 M HA 0.018 4.502 4.480 0.007 0.000 0.264 174 M C 2.170 178.499 176.300 0.048 0.000 1.063 174 M CA 1.126 56.480 55.300 0.090 0.000 1.119 174 M CB -1.330 31.323 32.600 0.089 0.000 1.377 174 M HN 0.312 nan 8.290 nan 0.000 0.415 175 H N -0.233 118.852 119.070 0.024 0.000 2.353 175 H HA -0.108 4.452 4.556 0.007 0.000 0.300 175 H C 1.869 177.195 175.328 -0.003 0.000 1.090 175 H CA 1.501 57.555 56.048 0.009 0.000 1.327 175 H CB -0.227 29.533 29.762 -0.003 0.000 1.383 175 H HN 0.138 nan 8.280 nan 0.000 0.508 176 L N 0.022 121.310 121.223 0.108 0.000 2.131 176 L HA -0.153 4.191 4.340 0.007 0.000 0.210 176 L C 2.316 179.197 176.870 0.019 0.000 1.092 176 L CA 1.463 56.328 54.840 0.040 0.000 0.759 176 L CB -0.492 41.574 42.059 0.012 0.000 0.903 176 L HN 0.337 nan 8.230 nan 0.000 0.435 177 M N -1.301 118.312 119.600 0.022 0.000 2.159 177 M HA -0.230 4.254 4.480 0.007 0.000 0.263 177 M C 2.133 178.426 176.300 -0.012 0.000 1.063 177 M CA 1.823 57.127 55.300 0.005 0.000 1.110 177 M CB -0.135 32.478 32.600 0.022 0.000 1.374 177 M HN 0.291 nan 8.290 nan 0.000 0.411 178 I N -0.297 120.261 120.570 -0.019 0.000 2.208 178 I HA -0.226 3.948 4.170 0.007 0.000 0.245 178 I C 2.499 178.607 176.117 -0.014 0.000 1.097 178 I CA 1.447 62.728 61.300 -0.032 0.000 1.363 178 I CB -1.128 36.840 38.000 -0.054 0.000 1.051 178 I HN 0.459 nan 8.210 nan 0.000 0.413 179 G N 1.163 109.962 108.800 -0.002 0.000 2.421 179 G HA2 -0.190 3.774 3.960 0.007 0.000 0.216 179 G HA3 -0.190 3.774 3.960 0.007 0.000 0.216 179 G C 1.702 176.595 174.900 -0.012 0.000 1.171 179 G CA 0.633 45.730 45.100 -0.004 0.000 0.775 179 G HN 0.312 nan 8.290 nan 0.000 0.543 180 I N 0.326 120.889 120.570 -0.013 0.000 2.179 180 I HA -0.123 4.051 4.170 0.007 0.000 0.242 180 I C 2.701 178.813 176.117 -0.009 0.000 1.088 180 I CA 0.699 61.992 61.300 -0.013 0.000 1.357 180 I CB -0.185 37.807 38.000 -0.013 0.000 1.051 180 I HN 0.118 nan 8.210 nan 0.000 0.409 181 L N 0.351 121.567 121.223 -0.012 0.000 2.093 181 L HA -0.178 4.166 4.340 0.007 0.000 0.208 181 L C 2.829 179.701 176.870 0.004 0.000 1.085 181 L CA 1.176 56.010 54.840 -0.010 0.000 0.755 181 L CB -0.681 41.361 42.059 -0.027 0.000 0.904 181 L HN 0.243 nan 8.230 nan 0.000 0.435 182 A N 0.095 122.915 122.820 0.000 0.000 1.902 182 A HA -0.167 4.157 4.320 0.007 0.000 0.217 182 A C 2.530 180.124 177.584 0.016 0.000 1.181 182 A CA 1.689 53.731 52.037 0.008 0.000 0.623 182 A CB -0.648 18.354 19.000 0.003 0.000 0.818 182 A HN 0.395 nan 8.150 nan 0.000 0.443 183 A N -0.342 122.483 122.820 0.009 0.000 1.933 183 A HA -0.015 4.309 4.320 0.007 0.000 0.218 183 A C 2.149 179.743 177.584 0.015 0.000 1.175 183 A CA 1.419 53.462 52.037 0.011 0.000 0.628 183 A CB -0.554 18.446 19.000 0.000 0.000 0.814 183 A HN 0.475 nan 8.150 nan 0.000 0.444 184 L N -0.941 120.292 121.223 0.015 0.000 2.083 184 L HA -0.193 4.151 4.340 0.007 0.000 0.209 184 L C 2.657 179.581 176.870 0.089 0.000 1.083 184 L CA 1.708 56.557 54.840 0.015 0.000 0.752 184 L CB -0.415 41.658 42.059 0.024 0.000 0.899 184 L HN 0.484 nan 8.230 nan 0.000 0.433 185 E N 1.188 121.455 120.200 0.112 0.000 2.031 185 E HA -0.228 4.126 4.350 0.007 0.000 0.193 185 E C 1.977 178.670 176.600 0.155 0.000 0.994 185 E CA 1.713 58.210 56.400 0.163 0.000 0.800 185 E CB -0.266 29.478 29.700 0.072 0.000 0.752 185 E HN 0.570 nan 8.360 nan 0.000 0.447 186 I N -1.213 119.406 120.570 0.082 0.000 2.394 186 I HA -0.079 4.095 4.170 0.007 0.000 0.251 186 I C 2.585 178.736 176.117 0.056 0.000 1.136 186 I CA 1.168 62.507 61.300 0.066 0.000 1.425 186 I CB -0.443 37.583 38.000 0.043 0.000 1.079 186 I HN -0.041 nan 8.210 nan 0.000 0.425 187 R N 0.765 121.277 120.500 0.021 0.000 2.170 187 R HA -0.217 4.127 4.340 0.007 0.000 0.242 187 R C 2.140 178.394 176.300 -0.078 0.000 1.145 187 R CA 1.767 57.842 56.100 -0.042 0.000 0.984 187 R CB -0.473 29.771 30.300 -0.093 0.000 0.869 187 R HN 0.512 nan 8.270 nan 0.000 0.455 188 H N -0.658 118.415 119.070 0.006 0.000 2.456 188 H HA -0.058 4.502 4.556 0.006 0.000 0.296 188 H C 1.738 177.068 175.328 0.004 0.000 1.079 188 H CA 1.824 57.874 56.048 0.002 0.000 1.322 188 H CB 0.275 30.036 29.762 -0.002 0.000 1.388 188 H HN 0.189 nan 8.280 nan 0.000 0.538 189 K N -0.781 119.686 120.400 0.111 0.000 2.121 189 K HA -0.016 4.308 4.320 0.007 0.000 0.203 189 K C 2.313 178.936 176.600 0.039 0.000 1.041 189 K CA 1.404 57.731 56.287 0.066 0.000 0.969 189 K CB 0.182 32.715 32.500 0.055 0.000 0.799 189 K HN 0.311 nan 8.250 nan 0.000 0.456 190 T N -2.340 112.234 114.554 0.032 0.000 2.985 190 T HA 0.079 4.433 4.350 0.007 0.000 0.266 190 T C 1.597 176.304 174.700 0.012 0.000 1.076 190 T CA 0.740 62.854 62.100 0.023 0.000 1.135 190 T CB -0.096 68.789 68.868 0.029 0.000 0.890 190 T HN 0.355 nan 8.240 nan 0.000 0.480 191 G N 1.725 110.524 108.800 -0.001 0.000 2.155 191 G HA2 -0.228 3.736 3.960 0.007 0.000 0.257 191 G HA3 -0.228 3.736 3.960 0.007 0.000 0.257 191 G C 0.043 174.935 174.900 -0.013 0.000 0.983 191 G CA 0.059 45.148 45.100 -0.018 0.000 0.676 191 G HN 0.667 nan 8.290 nan 0.000 0.528 192 R N -0.038 120.465 120.500 0.004 0.000 2.670 192 R HA 0.644 4.988 4.340 0.007 0.000 0.289 192 R C 0.664 176.999 176.300 0.059 0.000 0.965 192 R CA -0.169 55.947 56.100 0.027 0.000 0.899 192 R CB 1.297 31.621 30.300 0.040 0.000 1.173 192 R HN 0.382 nan 8.270 nan 0.000 0.456 193 G N 0.885 109.744 108.800 0.097 0.000 2.572 193 G HA2 0.340 4.304 3.960 0.007 0.000 0.261 193 G HA3 0.340 4.304 3.960 0.007 0.000 0.261 193 G C -0.540 174.545 174.900 0.307 0.000 1.197 193 G CA -0.177 45.029 45.100 0.177 0.000 0.870 193 G HN 0.388 nan 8.290 nan 0.000 0.548 194 Q N -0.947 118.996 119.800 0.239 0.000 2.496 194 Q HA 0.377 4.721 4.340 0.007 0.000 0.286 194 Q C -0.786 175.065 176.000 -0.248 0.000 1.103 194 Q CA -0.892 54.988 55.803 0.129 0.000 0.813 194 Q CB 2.616 31.371 28.738 0.028 0.000 1.444 194 Q HN 0.495 nan 8.270 nan 0.000 0.443 195 K N 0.947 120.974 120.400 -0.623 0.000 2.227 195 K HA 0.475 4.799 4.320 0.007 0.000 0.280 195 K C -1.475 174.917 176.600 -0.348 0.000 1.041 195 K CA -0.305 55.518 56.287 -0.772 0.000 0.905 195 K CB 1.285 33.089 32.500 -1.160 0.000 1.068 195 K HN 0.319 nan 8.250 nan 0.000 0.470 196 V N 3.334 123.101 119.914 -0.245 0.000 2.588 196 V HA 0.819 4.943 4.120 0.007 0.000 0.304 196 V C -1.499 174.523 176.094 -0.119 0.000 1.042 196 V CA -0.375 61.841 62.300 -0.140 0.000 0.877 196 V CB 1.584 33.356 31.823 -0.085 0.000 0.996 196 V HN 0.923 nan 8.190 nan 0.000 0.425 197 A N 5.464 128.229 122.820 -0.093 0.000 2.414 197 A HA 0.901 5.225 4.320 0.007 0.000 0.306 197 A C -1.469 176.085 177.584 -0.050 0.000 1.054 197 A CA -0.569 51.423 52.037 -0.075 0.000 0.724 197 A CB 2.226 21.178 19.000 -0.080 0.000 1.267 197 A HN 1.033 nan 8.150 nan 0.000 0.418 198 V N 1.626 121.511 119.914 -0.048 0.000 2.483 198 V HA 0.638 4.762 4.120 0.007 0.000 0.297 198 V C 0.479 176.528 176.094 -0.074 0.000 1.027 198 V CA -0.388 61.883 62.300 -0.048 0.000 0.855 198 V CB 1.408 33.218 31.823 -0.022 0.000 0.995 198 V HN 1.286 nan 8.190 nan 0.000 0.424 199 A N 5.116 127.884 122.820 -0.087 0.000 2.366 199 A HA 0.579 4.903 4.320 0.007 0.000 0.272 199 A C 1.067 178.548 177.584 -0.173 0.000 1.135 199 A CA -0.365 51.599 52.037 -0.122 0.000 0.804 199 A CB 0.501 19.437 19.000 -0.107 0.000 1.064 199 A HN 0.912 nan 8.150 nan 0.000 0.499 200 M N 0.968 120.448 119.600 -0.199 0.000 2.149 200 M HA -0.219 4.265 4.480 0.007 0.000 0.261 200 M C 2.246 178.397 176.300 -0.248 0.000 1.064 200 M CA 2.015 57.192 55.300 -0.205 0.000 1.102 200 M CB -0.284 32.205 32.600 -0.185 0.000 1.369 200 M HN 0.981 nan 8.290 nan 0.000 0.408 201 Q N 0.742 120.332 119.800 -0.350 0.000 2.096 201 Q HA -0.238 4.106 4.340 0.007 0.000 0.204 201 Q C 1.156 177.036 176.000 -0.200 0.000 0.982 201 Q CA 1.909 57.513 55.803 -0.332 0.000 0.850 201 Q CB 0.030 28.460 28.738 -0.512 0.000 0.901 201 Q HN 0.464 nan 8.270 nan 0.000 0.422 202 D N -0.135 120.157 120.400 -0.179 0.000 2.149 202 D HA -0.075 4.568 4.640 0.007 0.000 0.201 202 D C 1.648 177.822 176.300 -0.209 0.000 0.972 202 D CA 1.223 55.143 54.000 -0.134 0.000 0.835 202 D CB -0.237 40.508 40.800 -0.092 0.000 0.966 202 D HN 0.395 nan 8.370 nan 0.000 0.476 203 A N 0.509 123.140 122.820 -0.316 0.000 1.930 203 A HA -0.108 4.216 4.320 0.007 0.000 0.217 203 A C 2.444 179.818 177.584 -0.348 0.000 1.175 203 A CA 1.046 52.727 52.037 -0.594 0.000 0.627 203 A CB -0.646 18.005 19.000 -0.581 0.000 0.815 203 A HN 0.136 nan 8.150 nan 0.000 0.443 204 V N -0.043 119.750 119.914 -0.201 0.000 2.307 204 V HA -0.196 3.928 4.120 0.007 0.000 0.245 204 V C 2.464 178.513 176.094 -0.075 0.000 1.045 204 V CA 1.613 63.847 62.300 -0.110 0.000 1.024 204 V CB -0.745 31.022 31.823 -0.093 0.000 0.651 204 V HN 0.511 nan 8.190 nan 0.000 0.449 205 L N 0.786 121.962 121.223 -0.078 0.000 2.079 205 L HA -0.217 4.127 4.340 0.007 0.000 0.210 205 L C 2.291 179.149 176.870 -0.020 0.000 1.081 205 L CA 1.980 56.799 54.840 -0.035 0.000 0.752 205 L CB -1.813 40.231 42.059 -0.024 0.000 0.896 205 L HN 0.532 nan 8.230 nan 0.000 0.433 206 N N -0.316 118.361 118.700 -0.039 0.000 2.061 206 N HA -0.223 4.521 4.740 0.007 0.000 0.193 206 N C 1.882 177.418 175.510 0.044 0.000 1.030 206 N CA 1.359 54.419 53.050 0.017 0.000 0.856 206 N CB 0.029 38.552 38.487 0.060 0.000 1.023 206 N HN 0.360 nan 8.380 nan 0.000 0.424 207 L N 0.668 121.912 121.223 0.036 0.000 2.291 207 L HA -0.042 4.302 4.340 0.007 0.000 0.214 207 L C 1.729 178.614 176.870 0.024 0.000 1.120 207 L CA 0.458 55.323 54.840 0.042 0.000 0.799 207 L CB -0.002 42.082 42.059 0.042 0.000 0.925 207 L HN 0.076 nan 8.230 nan 0.000 0.446 208 V N -0.329 119.594 119.914 0.016 0.000 3.646 208 V HA -0.036 4.088 4.120 0.007 0.000 0.277 208 V C 2.310 178.421 176.094 0.028 0.000 1.274 208 V CA 0.351 62.663 62.300 0.021 0.000 1.164 208 V CB -0.462 31.371 31.823 0.017 0.000 0.926 208 V HN 0.400 nan 8.190 nan 0.000 0.442 209 R N 0.768 121.285 120.500 0.027 0.000 2.119 209 R HA -0.238 4.106 4.340 0.007 0.000 0.246 209 R C 2.181 178.500 176.300 0.031 0.000 1.146 209 R CA 2.116 58.233 56.100 0.028 0.000 0.962 209 R CB -0.309 30.007 30.300 0.028 0.000 0.863 209 R HN 0.452 nan 8.270 nan 0.000 0.442 210 I N 1.471 122.061 120.570 0.034 0.000 2.315 210 I HA -0.277 3.897 4.170 0.007 0.000 0.251 210 I C 1.537 177.691 176.117 0.062 0.000 1.125 210 I CA 1.681 63.006 61.300 0.042 0.000 1.392 210 I CB -0.014 38.008 38.000 0.038 0.000 1.065 210 I HN 0.093 nan 8.210 nan 0.000 0.424 211 K N -0.485 119.954 120.400 0.066 0.000 2.305 211 K HA 0.025 4.349 4.320 0.007 0.000 0.199 211 K C 1.915 178.551 176.600 0.060 0.000 1.047 211 K CA 0.659 56.998 56.287 0.085 0.000 0.976 211 K CB -0.467 32.087 32.500 0.090 0.000 0.765 211 K HN 0.294 nan 8.250 nan 0.000 0.474 212 L N 1.551 122.800 121.223 0.044 0.000 2.179 212 L HA 0.023 4.367 4.340 0.007 0.000 0.208 212 L C 2.446 179.331 176.870 0.024 0.000 1.096 212 L CA 1.305 56.164 54.840 0.032 0.000 0.779 212 L CB -0.314 41.761 42.059 0.027 0.000 0.922 212 L HN 0.022 nan 8.230 nan 0.000 0.443 213 R N -0.311 120.205 120.500 0.026 0.000 2.083 213 R HA -0.196 4.148 4.340 0.007 0.000 0.237 213 R C 1.730 178.038 176.300 0.014 0.000 1.137 213 R CA 2.137 58.247 56.100 0.018 0.000 0.951 213 R CB -0.419 29.894 30.300 0.021 0.000 0.851 213 R HN 0.382 nan 8.270 nan 0.000 0.434 214 D N 0.186 120.605 120.400 0.032 0.000 2.117 214 D HA -0.182 4.462 4.640 0.007 0.000 0.197 214 D C 1.916 178.206 176.300 -0.018 0.000 0.987 214 D CA 1.134 55.142 54.000 0.013 0.000 0.829 214 D CB -0.320 40.519 40.800 0.065 0.000 0.961 214 D HN 0.236 nan 8.370 nan 0.000 0.460 215 Q N 0.895 120.698 119.800 0.006 0.000 2.096 215 Q HA -0.166 4.178 4.340 0.007 0.000 0.204 215 Q C 1.985 177.981 176.000 -0.008 0.000 0.982 215 Q CA 1.610 57.415 55.803 0.003 0.000 0.850 215 Q CB -0.195 28.555 28.738 0.019 0.000 0.901 215 Q HN 0.364 nan 8.270 nan 0.000 0.422 216 Q N -0.635 119.161 119.800 -0.007 0.000 2.079 216 Q HA -0.105 4.239 4.340 0.007 0.000 0.200 216 Q C 2.228 178.211 176.000 -0.027 0.000 0.974 216 Q CA 1.330 57.125 55.803 -0.012 0.000 0.840 216 Q CB -0.104 28.630 28.738 -0.007 0.000 0.898 216 Q HN 0.329 nan 8.270 nan 0.000 0.430 217 R N 0.282 120.759 120.500 -0.038 0.000 2.091 217 R HA -0.168 4.176 4.340 0.007 0.000 0.238 217 R C 2.295 178.544 176.300 -0.086 0.000 1.136 217 R CA 1.139 57.203 56.100 -0.061 0.000 0.959 217 R CB -0.417 29.841 30.300 -0.070 0.000 0.856 217 R HN 0.166 nan 8.270 nan 0.000 0.437 218 L N 1.548 122.717 121.223 -0.090 0.000 2.017 218 L HA -0.146 4.198 4.340 0.007 0.000 0.208 218 L C 1.718 178.561 176.870 -0.046 0.000 1.073 218 L CA 1.829 56.614 54.840 -0.091 0.000 0.745 218 L CB -0.334 41.691 42.059 -0.056 0.000 0.894 218 L HN 0.107 nan 8.230 nan 0.000 0.432 219 E N -0.706 119.477 120.200 -0.028 0.000 2.077 219 E HA -0.229 4.125 4.350 0.007 0.000 0.193 219 E C 2.287 178.873 176.600 -0.023 0.000 0.989 219 E CA 1.481 57.871 56.400 -0.016 0.000 0.800 219 E CB -0.115 29.579 29.700 -0.009 0.000 0.746 219 E HN 0.480 nan 8.360 nan 0.000 0.452 220 R N -0.356 120.126 120.500 -0.031 0.000 2.093 220 R HA -0.037 4.307 4.340 0.007 0.000 0.224 220 R C 2.298 178.575 176.300 -0.038 0.000 1.101 220 R CA 1.712 57.793 56.100 -0.031 0.000 0.979 220 R CB 0.044 30.326 30.300 -0.031 0.000 0.877 220 R HN 0.254 nan 8.270 nan 0.000 0.441 221 T N -5.135 109.386 114.554 -0.055 0.000 2.958 221 T HA 0.231 4.585 4.350 0.007 0.000 0.256 221 T C 1.355 176.011 174.700 -0.073 0.000 0.983 221 T CA 0.469 62.529 62.100 -0.065 0.000 0.924 221 T CB 1.189 70.007 68.868 -0.084 0.000 1.136 221 T HN 0.306 nan 8.240 nan 0.000 0.506 222 G N 1.392 110.149 108.800 -0.073 0.000 2.184 222 G HA2 -0.204 3.760 3.960 0.007 0.000 0.264 222 G HA3 -0.204 3.760 3.960 0.007 0.000 0.264 222 G C -0.076 174.756 174.900 -0.113 0.000 0.975 222 G CA 0.451 45.520 45.100 -0.052 0.000 0.642 222 G HN 0.849 nan 8.290 nan 0.000 0.536 223 I N -0.372 120.033 120.570 -0.275 0.000 2.841 223 I HA 0.579 4.753 4.170 0.007 0.000 0.298 223 I C -1.100 174.570 176.117 -0.746 0.000 1.304 223 I CA -1.344 59.590 61.300 -0.611 0.000 1.019 223 I CB 1.754 39.549 38.000 -0.342 0.000 1.282 223 I HN -0.036 nan 8.210 nan 0.000 0.432 224 L N 7.144 127.581 121.223 -1.311 0.000 2.337 224 L HA 0.491 4.835 4.340 0.007 0.000 0.269 224 L C 0.980 177.663 176.870 -0.311 0.000 1.018 224 L CA -0.336 54.100 54.840 -0.672 0.000 0.876 224 L CB 1.556 43.180 42.059 -0.725 0.000 1.236 224 L HN 0.777 nan 8.230 nan 0.000 0.436 225 A N 2.133 124.906 122.820 -0.078 0.000 2.067 225 A HA -0.125 4.199 4.320 0.007 0.000 0.219 225 A C 1.959 179.690 177.584 0.246 0.000 1.158 225 A CA 1.353 53.433 52.037 0.072 0.000 0.661 225 A CB -0.151 18.953 19.000 0.174 0.000 0.801 225 A HN 0.801 nan 8.150 nan 0.000 0.452 226 E N -1.207 119.218 120.200 0.375 0.000 2.489 226 E HA -0.024 4.330 4.350 0.007 0.000 0.193 226 E C -0.623 176.168 176.600 0.319 0.000 1.057 226 E CA -0.195 56.449 56.400 0.406 0.000 0.866 226 E CB -0.335 29.562 29.700 0.330 0.000 0.916 226 E HN 0.526 nan 8.360 nan 0.000 0.500 227 Y N 1.276 121.674 120.300 0.164 0.000 2.301 227 Y HA 0.226 4.781 4.550 0.008 0.000 0.325 227 Y C -1.299 174.665 175.900 0.107 0.000 1.203 227 Y CA -2.330 55.895 58.100 0.209 0.000 1.255 227 Y CB 0.907 39.596 38.460 0.381 0.000 1.232 227 Y HN -0.135 nan 8.280 nan 0.000 0.501 228 P HA -0.195 nan 4.420 nan 0.000 0.216 228 P C 0.804 178.030 177.300 -0.124 0.000 1.150 228 P CA 1.652 64.653 63.100 -0.165 0.000 0.843 228 P CB 0.305 31.867 31.700 -0.231 0.000 0.787 229 Q N -0.686 119.070 119.800 -0.073 0.000 2.364 229 Q HA -0.032 4.312 4.340 0.007 0.000 0.209 229 Q C 2.132 178.152 176.000 0.033 0.000 0.977 229 Q CA 1.476 57.166 55.803 -0.189 0.000 0.885 229 Q CB -1.025 27.398 28.738 -0.526 0.000 0.941 229 Q HN 0.213 nan 8.270 nan 0.000 0.464 230 A N 0.391 123.378 122.820 0.278 0.000 2.067 230 A HA -0.142 4.182 4.320 0.007 0.000 0.219 230 A C 1.119 178.705 177.584 0.003 0.000 1.158 230 A CA 0.263 52.424 52.037 0.207 0.000 0.661 230 A CB -0.256 18.825 19.000 0.134 0.000 0.801 230 A HN 0.360 nan 8.150 nan 0.000 0.452 231 Q N 1.048 120.807 119.800 -0.069 0.000 2.281 231 Q HA 0.212 4.556 4.340 0.007 0.000 0.267 231 Q C -2.544 173.415 176.000 -0.068 0.000 1.053 231 Q CA -2.179 53.552 55.803 -0.120 0.000 0.905 231 Q CB 0.490 29.100 28.738 -0.213 0.000 1.195 231 Q HN 0.159 nan 8.270 nan 0.000 0.398 232 P HA -0.036 nan 4.420 nan 0.000 0.264 232 P C -1.060 176.220 177.300 -0.034 0.000 1.193 232 P CA 0.567 63.630 63.100 -0.062 0.000 0.763 232 P CB 0.355 32.021 31.700 -0.057 0.000 0.810 233 N N -0.470 118.186 118.700 -0.075 0.000 2.829 233 N HA -0.269 4.475 4.740 0.007 0.000 0.250 233 N C 0.106 175.642 175.510 0.043 0.000 1.090 233 N CA 0.266 53.310 53.050 -0.009 0.000 0.781 233 N CB -1.895 36.652 38.487 0.101 0.000 1.124 233 N HN 0.381 nan 8.380 nan 0.000 0.559 234 F N 0.745 120.551 119.950 -0.240 0.000 2.315 234 F HA 0.494 5.024 4.527 0.006 0.000 0.284 234 F C 1.015 176.677 175.800 -0.230 0.000 1.049 234 F CA 0.869 58.781 58.000 -0.147 0.000 1.323 234 F CB 0.131 39.015 39.000 -0.194 0.000 1.113 234 F HN 0.058 nan 8.300 nan 0.000 0.544 235 A N 0.502 122.894 122.820 -0.713 0.000 2.290 235 A HA 0.586 4.910 4.320 0.007 0.000 0.310 235 A C -1.560 175.516 177.584 -0.847 0.000 1.202 235 A CA -0.190 51.350 52.037 -0.828 0.000 0.837 235 A CB -0.162 18.209 19.000 -1.047 0.000 1.139 235 A HN 0.273 nan 8.150 nan 0.000 0.509 236 F N 0.821 120.752 119.950 -0.032 0.000 2.599 236 F HA 0.401 4.931 4.527 0.004 0.000 0.311 236 F C 0.285 176.203 175.800 0.196 0.000 1.076 236 F CA -0.777 57.254 58.000 0.052 0.000 0.937 236 F CB 1.875 40.884 39.000 0.015 0.000 1.282 236 F HN 0.740 nan 8.300 nan 0.000 0.460 237 D N 0.518 121.102 120.400 0.306 0.000 2.447 237 D HA 0.195 4.839 4.640 0.007 0.000 0.265 237 D C 1.106 177.518 176.300 0.185 0.000 1.250 237 D CA -0.372 53.770 54.000 0.238 0.000 1.046 237 D CB 0.516 41.410 40.800 0.157 0.000 1.095 237 D HN 0.531 nan 8.370 nan 0.000 0.555 238 R N -1.065 119.507 120.500 0.120 0.000 2.127 238 R HA -0.097 4.247 4.340 0.007 0.000 0.238 238 R C 0.499 176.833 176.300 0.058 0.000 1.134 238 R CA 1.541 57.685 56.100 0.073 0.000 0.975 238 R CB -0.030 30.298 30.300 0.047 0.000 0.865 238 R HN 0.491 nan 8.270 nan 0.000 0.447 239 D N -1.521 118.918 120.400 0.065 0.000 2.342 239 D HA 0.118 4.762 4.640 0.007 0.000 0.221 239 D C 0.822 177.150 176.300 0.048 0.000 1.101 239 D CA 0.773 54.800 54.000 0.046 0.000 0.837 239 D CB 0.948 41.774 40.800 0.043 0.000 0.938 239 D HN 0.431 nan 8.370 nan 0.000 0.508 240 G N 1.278 110.123 108.800 0.075 0.000 2.159 240 G HA2 -0.260 3.704 3.960 0.007 0.000 0.256 240 G HA3 -0.260 3.704 3.960 0.007 0.000 0.256 240 G C 0.201 175.213 174.900 0.185 0.000 0.977 240 G CA -0.454 44.680 45.100 0.056 0.000 0.652 240 G HN 0.223 nan 8.290 nan 0.000 0.531 241 N N 2.123 120.939 118.700 0.193 0.000 2.520 241 N HA 0.351 5.095 4.740 0.007 0.000 0.273 241 N C -2.327 173.329 175.510 0.243 0.000 1.155 241 N CA -0.808 52.354 53.050 0.187 0.000 0.967 241 N CB 1.269 39.817 38.487 0.102 0.000 1.092 241 N HN 0.212 nan 8.380 nan 0.000 0.457 242 P HA 0.134 nan 4.420 nan 0.000 0.271 242 P C -0.533 176.650 177.300 -0.194 0.000 1.216 242 P CA 0.041 63.058 63.100 -0.138 0.000 0.776 242 P CB 0.821 32.468 31.700 -0.089 0.000 0.881 243 L N 2.530 123.540 121.223 -0.356 0.000 2.318 243 L HA 0.360 4.704 4.340 0.007 0.000 0.277 243 L C 0.725 177.387 176.870 -0.347 0.000 1.008 243 L CA -0.261 54.407 54.840 -0.286 0.000 0.846 243 L CB 1.282 43.183 42.059 -0.263 0.000 1.220 243 L HN 0.459 nan 8.230 nan 0.000 0.423 244 S N 0.966 116.504 115.700 -0.269 0.000 2.671 244 S HA 0.538 5.011 4.470 0.007 0.000 0.299 244 S C 0.383 174.832 174.600 -0.251 0.000 1.116 244 S CA -0.679 57.381 58.200 -0.233 0.000 0.912 244 S CB 1.200 64.329 63.200 -0.119 0.000 1.130 244 S HN 0.375 nan 8.310 nan 0.000 0.501 245 F N 1.033 120.932 119.950 -0.085 0.000 2.699 245 F HA 0.057 4.588 4.527 0.006 0.000 0.298 245 F C 1.645 177.409 175.800 -0.059 0.000 1.154 245 F CA 0.421 58.376 58.000 -0.075 0.000 1.457 245 F CB -0.255 38.696 39.000 -0.083 0.000 1.106 245 F HN 0.547 nan 8.300 nan 0.000 0.585 246 D N 0.263 120.706 120.400 0.072 0.000 2.149 246 D HA -0.211 4.433 4.640 0.007 0.000 0.194 246 D C 1.408 177.721 176.300 0.020 0.000 1.001 246 D CA 1.411 55.431 54.000 0.033 0.000 0.849 246 D CB -0.276 40.525 40.800 0.002 0.000 0.939 246 D HN 0.286 nan 8.370 nan 0.000 0.449 247 N N -0.385 118.311 118.700 -0.007 0.000 2.187 247 N HA 0.144 4.888 4.740 0.007 0.000 0.212 247 N C -0.026 175.475 175.510 -0.016 0.000 1.152 247 N CA -0.082 52.961 53.050 -0.012 0.000 0.872 247 N CB 1.507 39.979 38.487 -0.025 0.000 1.025 247 N HN 0.214 nan 8.380 nan 0.000 0.514 248 I N 1.393 121.955 120.570 -0.013 0.000 2.325 248 I HA 0.082 4.256 4.170 0.007 0.000 0.291 248 I C 1.221 177.371 176.117 0.055 0.000 1.019 248 I CA -0.000 61.290 61.300 -0.016 0.000 1.302 248 I CB 1.341 39.258 38.000 -0.140 0.000 1.401 248 I HN -0.003 nan 8.210 nan 0.000 0.485 249 T N -0.170 114.405 114.554 0.035 0.000 3.010 249 T HA 0.159 4.513 4.350 0.007 0.000 0.257 249 T C 0.515 175.238 174.700 0.037 0.000 1.020 249 T CA -0.280 61.843 62.100 0.038 0.000 0.938 249 T CB 0.383 69.267 68.868 0.025 0.000 1.049 249 T HN 0.402 nan 8.240 nan 0.000 0.522 250 S N 0.786 116.510 115.700 0.039 0.000 2.536 250 S HA 0.582 5.056 4.470 0.007 0.000 0.287 250 S C -0.386 174.244 174.600 0.050 0.000 1.101 250 S CA -0.595 57.630 58.200 0.041 0.000 0.950 250 S CB 1.642 64.867 63.200 0.041 0.000 1.056 250 S HN 0.239 nan 8.310 nan 0.000 0.481 251 V N 6.811 126.756 119.914 0.050 0.000 2.555 251 V HA 0.115 4.239 4.120 0.007 0.000 0.299 251 V C -1.511 174.644 176.094 0.101 0.000 1.012 251 V CA -0.304 62.030 62.300 0.057 0.000 1.180 251 V CB -0.616 31.254 31.823 0.078 0.000 0.887 251 V HN 0.708 nan 8.190 nan 0.000 0.476 252 P HA 0.366 nan 4.420 nan 0.000 0.281 252 P C -0.550 176.931 177.300 0.301 0.000 1.281 252 P CA -0.982 62.219 63.100 0.168 0.000 0.811 252 P CB 0.983 32.738 31.700 0.092 0.000 1.154 253 R N -0.614 120.045 120.500 0.266 0.000 2.389 253 R HA 0.398 4.742 4.340 0.007 0.000 0.295 253 R C 1.233 177.771 176.300 0.396 0.000 1.075 253 R CA 0.144 56.394 56.100 0.250 0.000 1.005 253 R CB 0.086 30.479 30.300 0.154 0.000 0.987 253 R HN 0.652 nan 8.270 nan 0.000 0.452 254 G N 1.574 110.538 108.800 0.274 0.000 3.690 254 G HA2 0.313 4.277 3.960 0.007 0.000 0.283 254 G HA3 0.313 4.277 3.960 0.007 0.000 0.283 254 G C 0.818 175.866 174.900 0.246 0.000 1.057 254 G CA 0.232 45.527 45.100 0.326 0.000 0.821 254 G HN 0.927 nan 8.290 nan 0.000 0.526 255 G N 1.508 110.134 108.800 -0.289 0.000 2.629 255 G HA2 -0.368 3.596 3.960 0.007 0.000 0.313 255 G HA3 -0.368 3.596 3.960 0.007 0.000 0.313 255 G C 0.693 175.095 174.900 -0.829 0.000 1.217 255 G CA 0.404 44.684 45.100 -1.366 0.000 0.994 255 G HN 0.375 nan 8.290 nan 0.000 0.549 256 N N 2.502 120.610 118.700 -0.986 0.000 2.376 256 N HA 0.517 5.261 4.740 0.007 0.000 0.249 256 N C 0.847 176.212 175.510 -0.241 0.000 1.140 256 N CA 0.743 53.349 53.050 -0.739 0.000 0.870 256 N CB 0.349 38.235 38.487 -1.001 0.000 1.124 256 N HN 0.906 nan 8.380 nan 0.000 0.505 257 A N -0.450 122.415 122.820 0.076 0.000 2.366 257 A HA 0.453 4.777 4.320 0.007 0.000 0.250 257 A C 1.600 179.262 177.584 0.131 0.000 1.099 257 A CA 0.293 52.477 52.037 0.245 0.000 0.794 257 A CB -0.017 19.041 19.000 0.095 0.000 1.056 257 A HN 0.275 nan 8.150 nan 0.000 0.499 258 G N -0.742 108.158 108.800 0.167 0.000 2.534 258 G HA2 0.384 4.348 3.960 0.007 0.000 0.217 258 G HA3 0.384 4.348 3.960 0.007 0.000 0.217 258 G C 1.272 176.195 174.900 0.038 0.000 1.128 258 G CA 1.045 46.250 45.100 0.174 0.000 0.784 258 G HN 2.209 nan 8.290 nan 0.000 0.542 259 G N -0.199 108.586 108.800 -0.025 0.000 2.583 259 G HA2 -0.108 3.856 3.960 0.007 0.000 0.292 259 G HA3 -0.108 3.856 3.960 0.007 0.000 0.292 259 G C 1.336 176.244 174.900 0.014 0.000 1.203 259 G CA 0.547 45.633 45.100 -0.023 0.000 0.987 259 G HN 1.179 nan 8.290 nan 0.000 0.554 260 G N 1.345 110.150 108.800 0.008 0.000 2.848 260 G HA2 0.505 4.469 3.960 0.007 0.000 0.208 260 G HA3 0.505 4.469 3.960 0.007 0.000 0.208 260 G C 0.956 175.861 174.900 0.008 0.000 1.152 260 G CA 1.287 46.393 45.100 0.010 0.000 0.789 260 G HN 1.453 nan 8.290 nan 0.000 0.531 261 G N -0.971 107.838 108.800 0.016 0.000 2.543 261 G HA2 0.441 4.405 3.960 0.007 0.000 0.290 261 G HA3 0.441 4.405 3.960 0.007 0.000 0.290 261 G C 0.009 174.944 174.900 0.058 0.000 1.310 261 G CA -0.520 44.602 45.100 0.036 0.000 1.025 261 G HN 0.123 nan 8.290 nan 0.000 0.502 262 Q N -0.182 119.664 119.800 0.077 0.000 2.524 262 Q HA 0.142 4.485 4.340 0.007 0.000 0.246 262 Q C -2.043 174.067 176.000 0.184 0.000 1.063 262 Q CA -1.059 54.803 55.803 0.099 0.000 0.945 262 Q CB 0.158 28.955 28.738 0.099 0.000 1.292 262 Q HN 0.187 nan 8.270 nan 0.000 0.518 263 P HA 0.068 nan 4.420 nan 0.000 0.264 263 P C -0.491 177.078 177.300 0.448 0.000 1.183 263 P CA 0.459 63.762 63.100 0.338 0.000 0.763 263 P CB 0.407 32.323 31.700 0.361 0.000 0.807 264 G N 1.228 110.302 108.800 0.458 0.000 2.645 264 G HA2 0.594 4.558 3.960 0.007 0.000 0.292 264 G HA3 0.594 4.558 3.960 0.007 0.000 0.292 264 G C -2.430 172.314 174.900 -0.261 0.000 1.415 264 G CA -0.476 44.751 45.100 0.211 0.000 0.785 264 G HN 0.508 nan 8.290 nan 0.000 0.483 265 W N -0.024 120.549 121.300 -1.210 0.000 3.146 265 W HA 0.528 5.191 4.660 0.005 0.000 0.319 265 W C -1.576 174.498 176.519 -0.741 0.000 1.258 265 W CA -0.913 55.819 57.345 -1.021 0.000 1.189 265 W CB 2.317 30.860 29.460 -1.528 0.000 1.412 265 W HN 0.553 nan 8.180 nan 0.000 0.567 266 M N 4.183 123.396 119.600 -0.645 0.000 2.077 266 M HA 0.404 4.888 4.480 0.007 0.000 0.348 266 M C -1.263 175.065 176.300 0.047 0.000 1.252 266 M CA 0.307 55.480 55.300 -0.212 0.000 1.096 266 M CB 0.079 32.526 32.600 -0.254 0.000 1.568 266 M HN 0.175 nan 8.290 nan 0.000 0.456 267 L N 4.832 126.186 121.223 0.218 0.000 2.329 267 L HA 0.510 4.854 4.340 0.007 0.000 0.279 267 L C 0.047 177.032 176.870 0.191 0.000 1.014 267 L CA -1.083 53.912 54.840 0.259 0.000 0.814 267 L CB 1.673 43.920 42.059 0.314 0.000 1.257 267 L HN 0.596 nan 8.230 nan 0.000 0.424 268 K N 1.256 121.615 120.400 -0.067 0.000 2.382 268 K HA 0.276 4.600 4.320 0.007 0.000 0.275 268 K C -0.687 175.841 176.600 -0.119 0.000 1.009 268 K CA -0.258 55.745 56.287 -0.472 0.000 0.970 268 K CB 0.709 32.723 32.500 -0.810 0.000 0.934 268 K HN 0.530 nan 8.250 nan 0.000 0.479 269 C N 1.530 120.753 119.300 -0.128 0.000 2.668 269 C HA 0.325 4.789 4.460 0.007 0.000 0.355 269 C C 0.013 175.084 174.990 0.134 0.000 1.277 269 C CA -1.072 57.975 59.018 0.048 0.000 1.787 269 C CB 1.247 28.974 27.740 -0.022 0.000 2.233 269 C HN 0.787 nan 8.230 nan 0.000 0.495 270 K N 0.444 120.914 120.400 0.116 0.000 2.491 270 K HA 0.318 4.642 4.320 0.007 0.000 0.279 270 K C 1.033 177.662 176.600 0.049 0.000 1.026 270 K CA 1.540 57.883 56.287 0.094 0.000 1.070 270 K CB -0.370 32.163 32.500 0.056 0.000 0.887 270 K HN 1.179 nan 8.250 nan 0.000 0.481 271 G N 4.709 113.503 108.800 -0.009 0.000 2.176 271 G HA2 -0.193 3.771 3.960 0.007 0.000 0.232 271 G HA3 -0.193 3.771 3.960 0.007 0.000 0.232 271 G C 0.617 175.465 174.900 -0.087 0.000 0.986 271 G CA 0.287 45.343 45.100 -0.072 0.000 0.643 271 G HN 0.911 nan 8.290 nan 0.000 0.522 272 W N 1.026 122.262 121.300 -0.107 0.000 2.364 272 W HA -0.011 4.653 4.660 0.007 0.000 0.281 272 W C 1.147 177.651 176.519 -0.025 0.000 1.219 272 W CA 1.468 58.728 57.345 -0.142 0.000 1.220 272 W CB -0.587 28.667 29.460 -0.344 0.000 1.127 272 W HN 0.397 nan 8.180 nan 0.000 0.556 273 E N 0.970 120.671 120.200 -0.831 0.000 2.106 273 E HA -0.145 4.209 4.350 0.007 0.000 0.192 273 E C 2.232 178.680 176.600 -0.255 0.000 0.984 273 E CA 2.857 58.816 56.400 -0.735 0.000 0.806 273 E CB -0.509 28.666 29.700 -0.875 0.000 0.750 273 E HN 0.352 nan 8.360 nan 0.000 0.458 274 T N -2.529 111.915 114.554 -0.183 0.000 3.044 274 T HA 0.125 4.479 4.350 0.007 0.000 0.260 274 T C -0.123 174.569 174.700 -0.013 0.000 1.019 274 T CA -0.354 61.698 62.100 -0.080 0.000 0.921 274 T CB 0.335 69.151 68.868 -0.087 0.000 1.053 274 T HN -0.115 nan 8.240 nan 0.000 0.533 275 D N 0.576 120.991 120.400 0.026 0.000 2.575 275 D HA 0.609 5.253 4.640 0.007 0.000 0.250 275 D C 0.971 177.368 176.300 0.163 0.000 1.279 275 D CA -0.439 53.607 54.000 0.076 0.000 0.925 275 D CB 1.628 42.465 40.800 0.062 0.000 1.261 275 D HN 0.052 nan 8.370 nan 0.000 0.567 276 A N 3.339 126.254 122.820 0.159 0.000 2.076 276 A HA -0.112 4.212 4.320 0.007 0.000 0.220 276 A C 1.068 178.816 177.584 0.273 0.000 1.160 276 A CA 1.165 53.328 52.037 0.210 0.000 0.653 276 A CB 0.066 19.133 19.000 0.112 0.000 0.801 276 A HN 0.516 nan 8.150 nan 0.000 0.455 277 D N -0.520 120.016 120.400 0.227 0.000 2.424 277 D HA 0.146 4.790 4.640 0.007 0.000 0.220 277 D C -0.204 176.256 176.300 0.267 0.000 1.150 277 D CA 0.138 54.271 54.000 0.222 0.000 0.831 277 D CB 0.323 41.190 40.800 0.111 0.000 0.981 277 D HN 0.140 nan 8.370 nan 0.000 0.500 278 S N 1.056 116.924 115.700 0.279 0.000 4.139 278 S HA 0.218 4.692 4.470 0.007 0.000 0.215 278 S C -0.624 173.924 174.600 -0.087 0.000 1.390 278 S CA -0.203 58.043 58.200 0.077 0.000 0.885 278 S CB -0.435 62.785 63.200 0.033 0.000 1.560 278 S HN 0.132 nan 8.310 nan 0.000 0.449 279 Y N -0.463 119.842 120.300 0.009 0.000 2.597 279 Y HA 0.555 5.109 4.550 0.007 0.000 0.340 279 Y C -0.106 175.786 175.900 -0.015 0.000 1.097 279 Y CA -1.343 56.769 58.100 0.019 0.000 1.037 279 Y CB 1.356 39.830 38.460 0.022 0.000 1.305 279 Y HN 0.179 nan 8.280 nan 0.000 0.463 280 V N -1.301 118.721 119.914 0.180 0.000 2.960 280 V HA 0.581 4.705 4.120 0.007 0.000 0.315 280 V C -1.597 174.632 176.094 0.225 0.000 1.087 280 V CA -1.176 61.210 62.300 0.143 0.000 0.982 280 V CB 2.027 33.880 31.823 0.050 0.000 1.039 280 V HN 0.700 nan 8.190 nan 0.000 0.437 281 Y N 2.934 123.297 120.300 0.106 0.000 2.327 281 Y HA 0.645 5.199 4.550 0.006 0.000 0.336 281 Y C -0.770 175.258 175.900 0.215 0.000 1.035 281 Y CA -0.825 57.345 58.100 0.116 0.000 1.165 281 Y CB 1.395 39.874 38.460 0.032 0.000 1.181 281 Y HN 0.756 nan 8.280 nan 0.000 0.494 282 F N 5.545 125.341 119.950 -0.257 0.000 2.493 282 F HA 0.454 4.985 4.527 0.006 0.000 0.329 282 F C -0.342 175.474 175.800 0.026 0.000 1.126 282 F CA -0.572 57.434 58.000 0.011 0.000 0.937 282 F CB 1.211 40.330 39.000 0.198 0.000 1.146 282 F HN 0.511 nan 8.300 nan 0.000 0.442 283 T N 4.126 118.527 114.554 -0.255 0.000 2.902 283 T HA 0.617 4.971 4.350 0.007 0.000 0.283 283 T C -0.363 174.332 174.700 -0.008 0.000 1.009 283 T CA -0.663 61.445 62.100 0.013 0.000 1.051 283 T CB 1.365 70.269 68.868 0.061 0.000 0.999 283 T HN 0.509 nan 8.240 nan 0.000 0.474 284 I N 2.616 123.331 120.570 0.243 0.000 2.442 284 I HA 0.417 4.590 4.170 0.007 0.000 0.279 284 I C 0.718 176.952 176.117 0.195 0.000 1.081 284 I CA -0.905 60.541 61.300 0.242 0.000 1.197 284 I CB 0.451 38.598 38.000 0.245 0.000 1.394 284 I HN 0.890 nan 8.210 nan 0.000 0.488 285 A N 3.726 126.629 122.820 0.139 0.000 2.409 285 A HA 0.551 4.875 4.320 0.007 0.000 0.262 285 A C 1.424 179.094 177.584 0.143 0.000 1.113 285 A CA 0.179 52.285 52.037 0.114 0.000 0.790 285 A CB 0.785 19.828 19.000 0.071 0.000 1.046 285 A HN 0.831 nan 8.150 nan 0.000 0.496 286 A N 2.600 125.486 122.820 0.110 0.000 2.024 286 A HA -0.166 4.158 4.320 0.007 0.000 0.220 286 A C 1.662 179.321 177.584 0.125 0.000 1.164 286 A CA 1.758 53.862 52.037 0.111 0.000 0.643 286 A CB -0.528 18.507 19.000 0.058 0.000 0.806 286 A HN 0.996 nan 8.150 nan 0.000 0.451 287 N N -0.901 117.861 118.700 0.103 0.000 2.383 287 N HA 0.062 4.806 4.740 0.007 0.000 0.192 287 N C 0.609 176.193 175.510 0.125 0.000 1.141 287 N CA 0.377 53.488 53.050 0.101 0.000 0.851 287 N CB -0.091 38.434 38.487 0.064 0.000 0.976 287 N HN 0.532 nan 8.380 nan 0.000 0.465 288 M N -1.168 118.529 119.600 0.162 0.000 2.596 288 M HA 0.182 4.666 4.480 0.007 0.000 0.364 288 M C 0.698 177.122 176.300 0.206 0.000 1.158 288 M CA -0.570 54.820 55.300 0.149 0.000 0.940 288 M CB 0.354 33.013 32.600 0.099 0.000 1.388 288 M HN 0.150 nan 8.290 nan 0.000 0.522 289 W N 3.116 124.455 121.300 0.065 0.000 2.358 289 W HA -0.052 4.613 4.660 0.007 0.000 0.303 289 W C -1.359 175.212 176.519 0.087 0.000 1.208 289 W CA 1.798 59.191 57.345 0.081 0.000 1.274 289 W CB -0.854 28.655 29.460 0.082 0.000 1.138 289 W HN 0.152 nan 8.180 nan 0.000 0.515 290 P HA -0.218 nan 4.420 nan 0.000 0.215 290 P C 1.298 178.546 177.300 -0.088 0.000 1.153 290 P CA 2.288 65.362 63.100 -0.044 0.000 0.853 290 P CB -0.204 31.530 31.700 0.057 0.000 0.788 291 Q N -0.646 119.147 119.800 -0.011 0.000 2.061 291 Q HA -0.134 4.210 4.340 0.007 0.000 0.204 291 Q C 2.193 178.109 176.000 -0.141 0.000 0.984 291 Q CA 1.404 57.231 55.803 0.040 0.000 0.846 291 Q CB -1.025 27.782 28.738 0.115 0.000 0.902 291 Q HN 0.251 nan 8.270 nan 0.000 0.421 292 I N -0.359 120.084 120.570 -0.211 0.000 2.163 292 I HA -0.353 3.821 4.170 0.007 0.000 0.243 292 I C 2.080 177.925 176.117 -0.452 0.000 1.085 292 I CA 0.832 61.946 61.300 -0.310 0.000 1.347 292 I CB -0.329 37.539 38.000 -0.220 0.000 1.044 292 I HN 0.313 nan 8.210 nan 0.000 0.408 293 C N 0.494 119.448 119.300 -0.577 0.000 2.413 293 C HA -0.181 4.283 4.460 0.007 0.000 0.277 293 C C 2.459 177.272 174.990 -0.294 0.000 1.265 293 C CA 0.824 59.550 59.018 -0.487 0.000 1.752 293 C CB -1.058 26.396 27.740 -0.476 0.000 1.998 293 C HN 0.524 nan 8.230 nan 0.000 0.489 294 D N 0.127 120.407 120.400 -0.201 0.000 2.084 294 D HA -0.150 4.494 4.640 0.007 0.000 0.194 294 D C 2.057 178.280 176.300 -0.129 0.000 0.990 294 D CA 1.092 55.053 54.000 -0.066 0.000 0.826 294 D CB -0.572 40.301 40.800 0.121 0.000 0.971 294 D HN 0.458 nan 8.370 nan 0.000 0.453 295 M N 0.594 119.909 119.600 -0.476 0.000 2.082 295 M HA -0.166 4.318 4.480 0.007 0.000 0.258 295 M C 1.774 177.892 176.300 -0.302 0.000 1.069 295 M CA 1.599 56.445 55.300 -0.757 0.000 1.102 295 M CB -0.048 31.784 32.600 -1.281 0.000 1.336 295 M HN 0.104 nan 8.290 nan 0.000 0.404 296 I N -3.489 116.908 120.570 -0.289 0.000 3.875 296 I HA 0.180 4.354 4.170 0.007 0.000 0.329 296 I C -0.188 175.857 176.117 -0.120 0.000 1.295 296 I CA 0.006 61.195 61.300 -0.186 0.000 1.129 296 I CB -0.366 37.511 38.000 -0.205 0.000 1.008 296 I HN 0.228 nan 8.210 nan 0.000 0.413 297 D N 2.871 123.196 120.400 -0.125 0.000 2.705 297 D HA -0.161 4.483 4.640 0.007 0.000 0.240 297 D C -0.246 175.910 176.300 -0.241 0.000 1.137 297 D CA 0.718 54.647 54.000 -0.118 0.000 0.677 297 D CB -0.392 40.381 40.800 -0.044 0.000 1.049 297 D HN 0.412 nan 8.370 nan 0.000 0.427 298 K N 0.396 120.577 120.400 -0.364 0.000 3.022 298 K HA 0.212 4.536 4.320 0.007 0.000 0.178 298 K C -1.789 174.574 176.600 -0.396 0.000 1.089 298 K CA -1.271 54.649 56.287 -0.611 0.000 0.916 298 K CB 1.365 33.144 32.500 -1.202 0.000 1.159 298 K HN 0.207 nan 8.250 nan 0.000 0.592 299 P HA -0.216 nan 4.420 nan 0.000 0.218 299 P C 1.052 178.311 177.300 -0.068 0.000 1.148 299 P CA 1.230 64.257 63.100 -0.122 0.000 0.822 299 P CB 0.306 31.957 31.700 -0.082 0.000 0.784 300 E N -1.070 119.064 120.200 -0.109 0.000 2.333 300 E HA -0.185 4.169 4.350 0.007 0.000 0.198 300 E C 1.211 177.907 176.600 0.161 0.000 1.007 300 E CA 0.941 57.336 56.400 -0.008 0.000 0.845 300 E CB -1.024 28.647 29.700 -0.048 0.000 0.766 300 E HN 0.298 nan 8.360 nan 0.000 0.507 301 W N 1.727 122.950 121.300 -0.128 0.000 3.139 301 W HA 0.253 4.918 4.660 0.008 0.000 0.260 301 W C 1.826 178.491 176.519 0.245 0.000 1.312 301 W CA -0.435 56.880 57.345 -0.050 0.000 1.606 301 W CB -0.006 29.363 29.460 -0.151 0.000 1.118 301 W HN 0.086 nan 8.180 nan 0.000 0.675 302 K N -0.059 120.524 120.400 0.305 0.000 2.057 302 K HA -0.109 4.215 4.320 0.007 0.000 0.206 302 K C 0.660 177.428 176.600 0.280 0.000 1.050 302 K CA 1.367 57.819 56.287 0.275 0.000 0.935 302 K CB -0.054 32.516 32.500 0.117 0.000 0.715 302 K HN -0.070 nan 8.250 nan 0.000 0.439 303 D N 0.401 120.923 120.400 0.204 0.000 2.395 303 D HA -0.004 4.640 4.640 0.007 0.000 0.213 303 D C -0.405 175.981 176.300 0.143 0.000 1.110 303 D CA 0.242 54.332 54.000 0.150 0.000 0.835 303 D CB 0.248 41.109 40.800 0.102 0.000 0.965 303 D HN 0.050 nan 8.370 nan 0.000 0.505 304 D N 1.421 121.940 120.400 0.198 0.000 2.313 304 D HA 0.091 4.735 4.640 0.007 0.000 0.239 304 D C -1.523 174.850 176.300 0.121 0.000 1.142 304 D CA -2.112 51.996 54.000 0.179 0.000 0.847 304 D CB 2.182 43.149 40.800 0.277 0.000 1.082 304 D HN -0.090 nan 8.370 nan 0.000 0.480 305 P HA -0.071 nan 4.420 nan 0.000 0.225 305 P C 0.871 178.088 177.300 -0.138 0.000 1.148 305 P CA 0.442 63.517 63.100 -0.043 0.000 0.779 305 P CB 0.217 31.893 31.700 -0.040 0.000 0.780 306 A N -1.758 120.973 122.820 -0.149 0.000 2.121 306 A HA -0.102 4.222 4.320 0.007 0.000 0.218 306 A C 1.490 178.658 177.584 -0.692 0.000 1.154 306 A CA 1.055 52.863 52.037 -0.382 0.000 0.679 306 A CB -1.056 17.714 19.000 -0.384 0.000 0.795 306 A HN 0.189 nan 8.150 nan 0.000 0.458 307 Y N -1.226 118.859 120.300 -0.359 0.000 2.512 307 Y HA 0.066 4.621 4.550 0.007 0.000 0.268 307 Y C 1.687 177.087 175.900 -0.834 0.000 1.102 307 Y CA 0.252 58.021 58.100 -0.551 0.000 1.261 307 Y CB 0.273 38.535 38.460 -0.331 0.000 1.250 307 Y HN 0.481 nan 8.280 nan 0.000 0.506 308 N N 0.447 118.946 118.700 -0.335 0.000 2.270 308 N HA 0.030 4.774 4.740 0.007 0.000 0.198 308 N C -0.148 175.186 175.510 -0.293 0.000 1.117 308 N CA 0.587 53.421 53.050 -0.361 0.000 0.845 308 N CB -0.326 38.230 38.487 0.116 0.000 0.980 308 N HN 0.175 nan 8.380 nan 0.000 0.486 309 T N -4.722 109.638 114.554 -0.325 0.000 2.907 309 T HA 0.348 4.702 4.350 0.007 0.000 0.292 309 T C 0.432 174.990 174.700 -0.236 0.000 1.043 309 T CA -0.961 61.023 62.100 -0.193 0.000 1.003 309 T CB 0.888 69.690 68.868 -0.111 0.000 1.084 309 T HN -0.047 nan 8.240 nan 0.000 0.483 310 F N 1.726 121.542 119.950 -0.223 0.000 2.120 310 F HA -0.065 4.465 4.527 0.006 0.000 0.300 310 F C 2.005 177.681 175.800 -0.206 0.000 1.095 310 F CA 1.850 59.727 58.000 -0.205 0.000 1.249 310 F CB -0.356 38.570 39.000 -0.123 0.000 0.995 310 F HN 0.717 nan 8.300 nan 0.000 0.480 311 E N 0.383 120.463 120.200 -0.200 0.000 2.058 311 E HA -0.095 4.259 4.350 0.007 0.000 0.194 311 E C 2.525 178.902 176.600 -0.371 0.000 0.997 311 E CA 1.379 57.616 56.400 -0.272 0.000 0.801 311 E CB -1.122 28.526 29.700 -0.086 0.000 0.746 311 E HN 0.522 nan 8.360 nan 0.000 0.450 312 G N 0.406 108.998 108.800 -0.347 0.000 2.422 312 G HA2 -0.283 3.681 3.960 0.007 0.000 0.218 312 G HA3 -0.283 3.681 3.960 0.007 0.000 0.218 312 G C 1.459 176.049 174.900 -0.517 0.000 1.146 312 G CA 0.529 45.394 45.100 -0.392 0.000 0.769 312 G HN 0.121 nan 8.290 nan 0.000 0.547 313 R N -0.216 119.927 120.500 -0.596 0.000 2.275 313 R HA 0.133 4.477 4.340 0.007 0.000 0.199 313 R C 2.442 178.399 176.300 -0.573 0.000 0.989 313 R CA 0.139 55.858 56.100 -0.635 0.000 1.016 313 R CB -0.088 29.820 30.300 -0.654 0.000 0.918 313 R HN 0.279 nan 8.270 nan 0.000 0.473 314 V N 2.510 122.063 119.914 -0.602 0.000 2.324 314 V HA -0.268 3.856 4.120 0.007 0.000 0.250 314 V C 1.761 177.638 176.094 -0.361 0.000 1.060 314 V CA 2.280 64.273 62.300 -0.512 0.000 1.042 314 V CB -0.512 31.022 31.823 -0.482 0.000 0.650 314 V HN 0.476 nan 8.190 nan 0.000 0.450 315 D N 0.523 120.719 120.400 -0.340 0.000 2.349 315 D HA -0.115 4.529 4.640 0.007 0.000 0.224 315 D C 1.279 177.415 176.300 -0.274 0.000 1.029 315 D CA 0.767 54.607 54.000 -0.266 0.000 0.879 315 D CB -0.246 40.415 40.800 -0.231 0.000 0.906 315 D HN 0.712 nan 8.370 nan 0.000 0.528 316 K N -1.146 119.047 120.400 -0.346 0.000 2.603 316 K HA 0.154 4.478 4.320 0.007 0.000 0.202 316 K C 1.157 177.553 176.600 -0.340 0.000 1.279 316 K CA -0.464 55.627 56.287 -0.328 0.000 1.056 316 K CB -0.320 31.933 32.500 -0.411 0.000 1.062 316 K HN -0.040 nan 8.250 nan 0.000 0.606 317 L N 1.306 122.301 121.223 -0.380 0.000 2.083 317 L HA 0.019 4.363 4.340 0.007 0.000 0.209 317 L C 1.900 178.559 176.870 -0.352 0.000 1.083 317 L CA 1.714 56.313 54.840 -0.401 0.000 0.752 317 L CB -0.276 41.571 42.059 -0.354 0.000 0.899 317 L HN 0.260 nan 8.230 nan 0.000 0.433 318 M N -0.984 118.390 119.600 -0.377 0.000 2.213 318 M HA -0.155 4.329 4.480 0.007 0.000 0.263 318 M C 1.831 178.047 176.300 -0.141 0.000 1.062 318 M CA 1.183 56.250 55.300 -0.388 0.000 1.105 318 M CB -1.420 30.583 32.600 -0.994 0.000 1.385 318 M HN 0.262 nan 8.290 nan 0.000 0.417 319 D N 0.561 120.892 120.400 -0.115 0.000 2.117 319 D HA -0.066 4.578 4.640 0.007 0.000 0.197 319 D C 2.203 178.535 176.300 0.054 0.000 0.987 319 D CA 1.160 55.160 54.000 -0.001 0.000 0.829 319 D CB -0.106 40.681 40.800 -0.021 0.000 0.961 319 D HN 0.372 nan 8.370 nan 0.000 0.460 320 I N 0.255 120.802 120.570 -0.039 0.000 2.252 320 I HA -0.253 3.921 4.170 0.007 0.000 0.245 320 I C 2.165 178.310 176.117 0.047 0.000 1.102 320 I CA 0.713 62.040 61.300 0.044 0.000 1.385 320 I CB -0.218 37.732 38.000 -0.083 0.000 1.064 320 I HN -0.141 nan 8.210 nan 0.000 0.414 321 F N 0.597 120.550 119.950 0.005 0.000 2.126 321 F HA -0.274 4.257 4.527 0.006 0.000 0.299 321 F C 2.989 178.761 175.800 -0.046 0.000 1.096 321 F CA 1.774 59.750 58.000 -0.041 0.000 1.255 321 F CB -1.132 37.785 39.000 -0.139 0.000 0.997 321 F HN 0.046 nan 8.300 nan 0.000 0.479 322 S N -0.309 115.496 115.700 0.175 0.000 2.370 322 S HA -0.274 4.200 4.470 0.007 0.000 0.226 322 S C 2.119 176.780 174.600 0.102 0.000 1.033 322 S CA 1.389 59.665 58.200 0.126 0.000 1.011 322 S CB -0.768 62.515 63.200 0.139 0.000 0.852 322 S HN 0.308 nan 8.310 nan 0.000 0.457 323 F N 1.791 121.749 119.950 0.013 0.000 2.113 323 F HA 0.123 4.653 4.527 0.006 0.000 0.297 323 F C 1.883 177.595 175.800 -0.146 0.000 1.103 323 F CA 1.266 59.257 58.000 -0.015 0.000 1.248 323 F CB -0.495 38.561 39.000 0.092 0.000 0.999 323 F HN 0.213 nan 8.300 nan 0.000 0.475 324 I N 0.382 120.813 120.570 -0.232 0.000 2.194 324 I HA -0.338 3.836 4.170 0.007 0.000 0.246 324 I C 2.475 178.027 176.117 -0.941 0.000 1.093 324 I CA 1.974 62.909 61.300 -0.608 0.000 1.355 324 I CB -0.638 37.024 38.000 -0.563 0.000 1.046 324 I HN 0.264 nan 8.210 nan 0.000 0.413 325 E N 0.699 120.547 120.200 -0.588 0.000 2.118 325 E HA -0.270 4.084 4.350 0.007 0.000 0.195 325 E C 2.119 178.459 176.600 -0.434 0.000 0.992 325 E CA 2.020 58.119 56.400 -0.502 0.000 0.804 325 E CB -0.013 29.592 29.700 -0.158 0.000 0.741 325 E HN 0.611 nan 8.360 nan 0.000 0.458 326 T N -0.813 113.509 114.554 -0.387 0.000 2.881 326 T HA -0.111 4.243 4.350 0.007 0.000 0.270 326 T C 1.573 176.101 174.700 -0.286 0.000 1.068 326 T CA 0.839 62.767 62.100 -0.286 0.000 1.131 326 T CB -0.110 68.586 68.868 -0.287 0.000 0.871 326 T HN -0.004 nan 8.240 nan 0.000 0.479 327 K N 0.510 120.639 120.400 -0.452 0.000 2.439 327 K HA 0.105 4.429 4.320 0.007 0.000 0.197 327 K C 0.891 177.608 176.600 0.195 0.000 1.041 327 K CA 0.467 56.648 56.287 -0.177 0.000 0.970 327 K CB -0.301 32.105 32.500 -0.158 0.000 0.773 327 K HN 0.494 nan 8.250 nan 0.000 0.479 328 F N -0.116 119.855 119.950 0.036 0.000 2.695 328 F HA 0.315 4.846 4.527 0.006 0.000 0.303 328 F C 1.848 177.673 175.800 0.041 0.000 1.091 328 F CA -1.147 56.897 58.000 0.073 0.000 1.300 328 F CB -0.836 38.189 39.000 0.042 0.000 1.071 328 F HN -0.128 nan 8.300 nan 0.000 0.578 329 A N -0.185 122.740 122.820 0.175 0.000 1.972 329 A HA -0.129 4.195 4.320 0.007 0.000 0.219 329 A C 1.440 179.093 177.584 0.116 0.000 1.169 329 A CA 1.825 53.946 52.037 0.140 0.000 0.635 329 A CB -0.384 18.671 19.000 0.092 0.000 0.810 329 A HN 0.165 nan 8.150 nan 0.000 0.446 330 D N -0.557 119.895 120.400 0.086 0.000 2.462 330 D HA 0.190 4.834 4.640 0.007 0.000 0.221 330 D C -0.229 176.095 176.300 0.041 0.000 1.173 330 D CA 0.262 54.290 54.000 0.047 0.000 0.831 330 D CB 0.399 41.209 40.800 0.016 0.000 1.001 330 D HN 0.398 nan 8.370 nan 0.000 0.499 331 K N 1.411 121.855 120.400 0.073 0.000 2.324 331 K HA 0.219 4.543 4.320 0.007 0.000 0.253 331 K C -0.523 176.105 176.600 0.047 0.000 0.932 331 K CA -0.868 55.450 56.287 0.052 0.000 0.799 331 K CB 2.226 34.766 32.500 0.065 0.000 1.154 331 K HN -0.085 nan 8.250 nan 0.000 0.425 332 D N 1.335 121.757 120.400 0.036 0.000 2.377 332 D HA -0.030 4.614 4.640 0.007 0.000 0.245 332 D C 0.955 177.223 176.300 -0.054 0.000 1.196 332 D CA -0.319 53.689 54.000 0.014 0.000 0.962 332 D CB 0.781 41.620 40.800 0.065 0.000 1.127 332 D HN 0.522 nan 8.370 nan 0.000 0.471 333 K N -0.047 120.244 120.400 -0.180 0.000 2.152 333 K HA -0.175 4.149 4.320 0.007 0.000 0.206 333 K C 1.777 178.201 176.600 -0.295 0.000 1.048 333 K CA 1.184 57.291 56.287 -0.299 0.000 0.933 333 K CB -0.582 31.665 32.500 -0.422 0.000 0.721 333 K HN 0.445 nan 8.250 nan 0.000 0.447 334 F N 2.925 122.890 119.950 0.025 0.000 2.206 334 F HA -0.067 4.464 4.527 0.007 0.000 0.298 334 F C 2.607 178.427 175.800 0.033 0.000 1.090 334 F CA 1.231 59.248 58.000 0.029 0.000 1.323 334 F CB -0.220 38.797 39.000 0.028 0.000 1.028 334 F HN 0.180 nan 8.300 nan 0.000 0.492 335 E N 0.343 120.651 120.200 0.180 0.000 2.216 335 E HA -0.094 4.260 4.350 0.007 0.000 0.192 335 E C 2.077 178.754 176.600 0.129 0.000 0.988 335 E CA 1.261 57.738 56.400 0.128 0.000 0.834 335 E CB -0.684 29.064 29.700 0.081 0.000 0.772 335 E HN 0.297 nan 8.360 nan 0.000 0.479 336 V N 1.948 121.889 119.914 0.044 0.000 2.358 336 V HA -0.219 3.905 4.120 0.007 0.000 0.246 336 V C 2.355 178.471 176.094 0.036 0.000 1.047 336 V CA 2.224 64.505 62.300 -0.032 0.000 1.035 336 V CB -0.730 30.805 31.823 -0.480 0.000 0.658 336 V HN 0.369 nan 8.190 nan 0.000 0.452 337 T N -0.483 114.095 114.554 0.039 0.000 2.708 337 T HA -0.253 4.101 4.350 0.007 0.000 0.266 337 T C 1.883 176.668 174.700 0.142 0.000 1.037 337 T CA 1.901 64.052 62.100 0.084 0.000 1.146 337 T CB -0.202 68.727 68.868 0.102 0.000 0.865 337 T HN 0.648 nan 8.240 nan 0.000 0.435 338 E N -0.583 119.721 120.200 0.173 0.000 2.077 338 E HA -0.180 4.174 4.350 0.007 0.000 0.193 338 E C 2.016 178.776 176.600 0.267 0.000 0.989 338 E CA 1.062 57.571 56.400 0.182 0.000 0.800 338 E CB -0.160 29.633 29.700 0.155 0.000 0.746 338 E HN 0.563 nan 8.360 nan 0.000 0.452 339 W N 1.343 122.695 121.300 0.088 0.000 2.354 339 W HA -0.124 4.540 4.660 0.007 0.000 0.315 339 W C 2.280 178.951 176.519 0.253 0.000 1.206 339 W CA 2.194 59.630 57.345 0.153 0.000 1.290 339 W CB -1.033 28.502 29.460 0.125 0.000 1.152 339 W HN 0.179 nan 8.180 nan 0.000 0.489 340 A N 0.598 123.535 122.820 0.196 0.000 1.908 340 A HA -0.061 4.263 4.320 0.007 0.000 0.218 340 A C 2.174 179.852 177.584 0.157 0.000 1.181 340 A CA 2.952 55.047 52.037 0.097 0.000 0.627 340 A CB -1.483 17.566 19.000 0.082 0.000 0.818 340 A HN 0.407 nan 8.150 nan 0.000 0.445 341 A N -0.845 122.062 122.820 0.145 0.000 2.019 341 A HA -0.217 4.107 4.320 0.007 0.000 0.219 341 A C 2.055 179.699 177.584 0.101 0.000 1.164 341 A CA 1.596 53.697 52.037 0.107 0.000 0.644 341 A CB -0.546 18.510 19.000 0.094 0.000 0.805 341 A HN 0.682 nan 8.150 nan 0.000 0.449 342 Q N -1.775 118.105 119.800 0.133 0.000 2.181 342 Q HA -0.198 4.146 4.340 0.007 0.000 0.205 342 Q C 1.166 177.089 176.000 -0.128 0.000 0.980 342 Q CA 1.750 57.561 55.803 0.014 0.000 0.862 342 Q CB -0.249 28.506 28.738 0.029 0.000 0.905 342 Q HN 0.906 nan 8.270 nan 0.000 0.429 343 Y N -1.138 119.177 120.300 0.025 0.000 2.466 343 Y HA 0.179 4.733 4.550 0.007 0.000 0.272 343 Y C 1.482 177.378 175.900 -0.007 0.000 1.169 343 Y CA 0.331 58.431 58.100 -0.001 0.000 1.285 343 Y CB 0.640 39.077 38.460 -0.038 0.000 1.078 343 Y HN 0.187 nan 8.280 nan 0.000 0.523 344 G N 1.201 110.063 108.800 0.103 0.000 2.168 344 G HA2 -0.326 3.638 3.960 0.007 0.000 0.257 344 G HA3 -0.326 3.638 3.960 0.007 0.000 0.257 344 G C 0.051 174.976 174.900 0.041 0.000 0.997 344 G CA 0.107 45.243 45.100 0.060 0.000 0.708 344 G HN 0.357 nan 8.290 nan 0.000 0.520 345 I N 1.655 122.245 120.570 0.034 0.000 2.352 345 I HA 0.243 4.417 4.170 0.007 0.000 0.290 345 I C -1.795 174.258 176.117 -0.107 0.000 1.036 345 I CA -2.201 59.057 61.300 -0.070 0.000 1.336 345 I CB 1.158 39.062 38.000 -0.161 0.000 1.407 345 I HN -0.138 nan 8.210 nan 0.000 0.497 346 P HA 0.023 nan 4.420 nan 0.000 0.265 346 P C -0.841 176.398 177.300 -0.102 0.000 1.222 346 P CA -0.035 63.029 63.100 -0.060 0.000 0.767 346 P CB 0.309 31.999 31.700 -0.018 0.000 0.801 347 C N 3.719 123.002 119.300 -0.027 0.000 3.146 347 C HA 0.805 5.269 4.460 0.007 0.000 0.405 347 C C -0.465 174.567 174.990 0.070 0.000 1.012 347 C CA 0.133 59.163 59.018 0.020 0.000 1.217 347 C CB 0.885 28.614 27.740 -0.019 0.000 1.599 347 C HN 0.715 nan 8.230 nan 0.000 0.567 348 G N 4.705 113.569 108.800 0.107 0.000 2.684 348 G HA2 0.837 4.801 3.960 0.007 0.000 0.290 348 G HA3 0.837 4.801 3.960 0.007 0.000 0.290 348 G C -3.438 171.504 174.900 0.071 0.000 1.425 348 G CA -0.789 44.361 45.100 0.083 0.000 0.822 348 G HN 0.630 nan 8.290 nan 0.000 0.482 349 P HA 0.326 nan 4.420 nan 0.000 0.277 349 P C -0.101 177.202 177.300 0.006 0.000 1.240 349 P CA -0.338 62.732 63.100 -0.050 0.000 0.798 349 P CB 1.728 33.306 31.700 -0.204 0.000 0.979 350 V N 4.235 124.156 119.914 0.013 0.000 2.397 350 V HA 0.044 4.168 4.120 0.007 0.000 0.262 350 V C 0.945 177.049 176.094 0.016 0.000 1.047 350 V CA 0.238 62.556 62.300 0.028 0.000 1.003 350 V CB -0.513 31.348 31.823 0.062 0.000 1.037 350 V HN 0.474 nan 8.190 nan 0.000 0.480 351 M N 4.611 124.233 119.600 0.036 0.000 2.162 351 M HA 0.250 4.734 4.480 0.007 0.000 0.356 351 M C 0.641 176.977 176.300 0.059 0.000 1.303 351 M CA 0.318 55.662 55.300 0.074 0.000 1.116 351 M CB 1.165 33.816 32.600 0.087 0.000 1.632 351 M HN 0.752 nan 8.290 nan 0.000 0.469 352 S N 3.349 119.098 115.700 0.081 0.000 2.603 352 S HA 0.284 4.758 4.470 0.007 0.000 0.268 352 S C 1.218 175.849 174.600 0.052 0.000 1.317 352 S CA -0.678 57.562 58.200 0.066 0.000 1.012 352 S CB 0.987 64.237 63.200 0.084 0.000 0.926 352 S HN 0.635 nan 8.310 nan 0.000 0.539 353 M N 1.216 120.835 119.600 0.032 0.000 2.213 353 M HA -0.024 4.460 4.480 0.007 0.000 0.263 353 M C 2.055 178.364 176.300 0.015 0.000 1.062 353 M CA 1.676 56.983 55.300 0.011 0.000 1.105 353 M CB -1.669 30.930 32.600 -0.002 0.000 1.385 353 M HN 0.941 nan 8.290 nan 0.000 0.417 354 K N 0.617 121.052 120.400 0.059 0.000 2.057 354 K HA -0.167 4.157 4.320 0.007 0.000 0.207 354 K C 1.782 178.480 176.600 0.163 0.000 1.049 354 K CA 1.511 57.874 56.287 0.126 0.000 0.931 354 K CB 0.068 32.658 32.500 0.149 0.000 0.714 354 K HN 0.353 nan 8.250 nan 0.000 0.440 355 E N 0.519 120.797 120.200 0.130 0.000 2.077 355 E HA -0.180 4.174 4.350 0.007 0.000 0.193 355 E C 2.059 178.706 176.600 0.079 0.000 0.989 355 E CA 1.313 57.794 56.400 0.135 0.000 0.800 355 E CB -0.050 29.757 29.700 0.178 0.000 0.746 355 E HN 0.293 nan 8.360 nan 0.000 0.452 356 L N 0.427 121.673 121.223 0.037 0.000 2.056 356 L HA -0.146 4.198 4.340 0.007 0.000 0.207 356 L C 2.565 179.388 176.870 -0.077 0.000 1.078 356 L CA 0.915 55.750 54.840 -0.009 0.000 0.749 356 L CB -0.442 41.609 42.059 -0.014 0.000 0.901 356 L HN 0.150 nan 8.230 nan 0.000 0.433 357 A N -1.013 121.708 122.820 -0.165 0.000 2.019 357 A HA -0.189 4.135 4.320 0.007 0.000 0.219 357 A C 1.714 178.999 177.584 -0.499 0.000 1.164 357 A CA 1.373 53.187 52.037 -0.371 0.000 0.644 357 A CB -0.517 18.163 19.000 -0.533 0.000 0.805 357 A HN 0.506 nan 8.150 nan 0.000 0.449 358 H N -1.332 117.738 119.070 -0.000 0.000 2.674 358 H HA 0.136 4.696 4.556 0.007 0.000 0.274 358 H C -0.677 174.642 175.328 -0.016 0.000 1.121 358 H CA -0.401 55.642 56.048 -0.007 0.000 1.132 358 H CB -0.099 29.661 29.762 -0.003 0.000 1.606 358 H HN 0.508 nan 8.280 nan 0.000 0.558 359 D N 2.572 122.996 120.400 0.040 0.000 2.401 359 D HA 0.028 4.672 4.640 0.007 0.000 0.254 359 D C -1.446 174.853 176.300 -0.003 0.000 1.192 359 D CA -1.628 52.380 54.000 0.014 0.000 0.885 359 D CB 1.710 42.510 40.800 0.001 0.000 1.147 359 D HN 0.014 nan 8.370 nan 0.000 0.478 360 P HA -0.117 nan 4.420 nan 0.000 0.216 360 P C 1.182 178.467 177.300 -0.025 0.000 1.150 360 P CA 0.815 63.906 63.100 -0.016 0.000 0.837 360 P CB 0.243 31.930 31.700 -0.022 0.000 0.786 361 S N -0.681 115.003 115.700 -0.027 0.000 2.368 361 S HA -0.077 4.397 4.470 0.007 0.000 0.225 361 S C 1.815 176.395 174.600 -0.034 0.000 1.030 361 S CA 1.023 59.206 58.200 -0.029 0.000 0.999 361 S CB -1.059 62.125 63.200 -0.026 0.000 0.844 361 S HN 0.113 nan 8.310 nan 0.000 0.459 362 L N 1.032 122.234 121.223 -0.034 0.000 2.141 362 L HA -0.137 4.207 4.340 0.007 0.000 0.209 362 L C 2.608 179.447 176.870 -0.052 0.000 1.094 362 L CA 1.071 55.885 54.840 -0.044 0.000 0.763 362 L CB -0.409 41.623 42.059 -0.045 0.000 0.908 362 L HN 0.345 nan 8.230 nan 0.000 0.437 363 Q N -0.327 119.446 119.800 -0.046 0.000 2.123 363 Q HA -0.201 4.143 4.340 0.007 0.000 0.199 363 Q C 2.207 178.177 176.000 -0.049 0.000 0.966 363 Q CA 1.105 56.878 55.803 -0.050 0.000 0.845 363 Q CB -0.008 28.706 28.738 -0.039 0.000 0.907 363 Q HN 0.310 nan 8.270 nan 0.000 0.439 364 K N 0.725 121.101 120.400 -0.041 0.000 2.032 364 K HA -0.153 4.171 4.320 0.007 0.000 0.209 364 K C 1.798 178.370 176.600 -0.046 0.000 1.048 364 K CA 1.757 58.020 56.287 -0.040 0.000 0.927 364 K CB 0.002 32.482 32.500 -0.034 0.000 0.712 364 K HN 0.267 nan 8.250 nan 0.000 0.441 365 V N -2.949 116.934 119.914 -0.051 0.000 3.623 365 V HA 0.304 4.428 4.120 0.007 0.000 0.271 365 V C 0.875 176.928 176.094 -0.070 0.000 1.248 365 V CA 0.651 62.916 62.300 -0.058 0.000 1.156 365 V CB -0.183 31.606 31.823 -0.057 0.000 0.870 365 V HN 0.470 nan 8.190 nan 0.000 0.453 366 G N 0.015 108.771 108.800 -0.074 0.000 2.136 366 G HA2 -0.270 3.694 3.960 0.007 0.000 0.242 366 G HA3 -0.270 3.694 3.960 0.007 0.000 0.242 366 G C 0.497 175.337 174.900 -0.100 0.000 0.989 366 G CA 0.659 45.705 45.100 -0.090 0.000 0.682 366 G HN 0.536 nan 8.290 nan 0.000 0.522 367 T N -0.760 113.740 114.554 -0.091 0.000 2.976 367 T HA 0.301 4.655 4.350 0.007 0.000 0.257 367 T C 1.063 175.710 174.700 -0.088 0.000 1.051 367 T CA 1.150 63.194 62.100 -0.094 0.000 1.141 367 T CB 0.518 69.332 68.868 -0.088 0.000 0.881 367 T HN 0.327 nan 8.240 nan 0.000 0.461 368 V N 2.529 122.393 119.914 -0.083 0.000 2.398 368 V HA 0.533 4.657 4.120 0.007 0.000 0.286 368 V C -0.602 175.437 176.094 -0.093 0.000 1.026 368 V CA -0.702 61.548 62.300 -0.084 0.000 0.868 368 V CB 1.732 33.507 31.823 -0.080 0.000 0.982 368 V HN 0.021 nan 8.190 nan 0.000 0.443 369 V N 3.930 123.779 119.914 -0.108 0.000 2.588 369 V HA 0.386 4.510 4.120 0.007 0.000 0.304 369 V C -0.070 175.941 176.094 -0.139 0.000 1.042 369 V CA -0.759 61.464 62.300 -0.129 0.000 0.877 369 V CB 1.980 33.700 31.823 -0.173 0.000 0.996 369 V HN 0.951 nan 8.190 nan 0.000 0.425 370 E N 3.579 123.704 120.200 -0.124 0.000 2.129 370 E HA 0.364 4.718 4.350 0.007 0.000 0.283 370 E C -0.850 175.643 176.600 -0.179 0.000 1.080 370 E CA -0.361 55.958 56.400 -0.136 0.000 0.867 370 E CB 1.173 30.824 29.700 -0.081 0.000 1.056 370 E HN 0.532 nan 8.360 nan 0.000 0.404 371 V N 5.116 124.850 119.914 -0.300 0.000 2.530 371 V HA 0.059 4.183 4.120 0.007 0.000 0.282 371 V C 0.215 176.197 176.094 -0.186 0.000 1.048 371 V CA -0.633 61.488 62.300 -0.299 0.000 0.997 371 V CB 1.392 32.904 31.823 -0.519 0.000 0.987 371 V HN 0.468 nan 8.190 nan 0.000 0.477 372 V N 4.460 124.318 119.914 -0.093 0.000 2.427 372 V HA 0.265 4.389 4.120 0.007 0.000 0.268 372 V C 0.034 176.134 176.094 0.009 0.000 1.046 372 V CA 0.054 62.334 62.300 -0.033 0.000 0.970 372 V CB 1.019 32.830 31.823 -0.019 0.000 1.001 372 V HN 0.929 nan 8.190 nan 0.000 0.476 373 D N 4.031 124.456 120.400 0.041 0.000 2.402 373 D HA 0.232 4.876 4.640 0.007 0.000 0.252 373 D C 0.795 177.140 176.300 0.075 0.000 1.294 373 D CA -0.423 53.630 54.000 0.088 0.000 0.948 373 D CB 1.613 42.512 40.800 0.165 0.000 1.202 373 D HN 0.441 nan 8.370 nan 0.000 0.561 374 E N 2.496 122.732 120.200 0.060 0.000 2.274 374 E HA -0.021 4.333 4.350 0.007 0.000 0.194 374 E C 1.699 178.330 176.600 0.052 0.000 0.996 374 E CA 0.496 56.925 56.400 0.048 0.000 0.840 374 E CB 0.751 30.474 29.700 0.038 0.000 0.772 374 E HN 0.661 nan 8.360 nan 0.000 0.491 375 I N 0.205 120.813 120.570 0.063 0.000 2.339 375 I HA -0.143 4.031 4.170 0.007 0.000 0.245 375 I C 2.146 178.302 176.117 0.064 0.000 1.096 375 I CA 0.855 62.190 61.300 0.059 0.000 1.408 375 I CB 0.008 38.046 38.000 0.063 0.000 1.092 375 I HN -0.071 nan 8.210 nan 0.000 0.423 376 R N 0.761 121.312 120.500 0.086 0.000 2.308 376 R HA 0.319 4.662 4.340 0.007 0.000 0.202 376 R C 0.426 176.779 176.300 0.089 0.000 0.898 376 R CA 0.436 56.589 56.100 0.088 0.000 1.046 376 R CB 0.592 30.958 30.300 0.111 0.000 1.026 376 R HN 0.388 nan 8.270 nan 0.000 0.512 377 G N 1.847 110.701 108.800 0.089 0.000 2.692 377 G HA2 -0.208 3.756 3.960 0.007 0.000 0.686 377 G HA3 -0.208 3.756 3.960 0.007 0.000 0.686 377 G C -1.025 173.946 174.900 0.119 0.000 1.243 377 G CA -1.009 44.142 45.100 0.086 0.000 0.782 377 G HN 0.149 nan 8.290 nan 0.000 0.625 378 N N 0.808 119.559 118.700 0.085 0.000 2.416 378 N HA 0.511 5.255 4.740 0.007 0.000 0.246 378 N C 0.517 176.104 175.510 0.129 0.000 1.260 378 N CA 1.024 54.113 53.050 0.065 0.000 0.897 378 N CB 0.517 39.011 38.487 0.011 0.000 1.110 378 N HN 1.056 nan 8.380 nan 0.000 0.439 379 H N -2.179 116.906 119.070 0.025 0.000 2.985 379 H HA 0.590 5.150 4.556 0.007 0.000 0.360 379 H C -1.075 174.253 175.328 0.000 0.000 1.221 379 H CA -1.040 55.020 56.048 0.020 0.000 1.121 379 H CB 0.554 30.337 29.762 0.035 0.000 1.854 379 H HN 0.234 nan 8.280 nan 0.000 0.551 380 L N 1.112 122.370 121.223 0.059 0.000 2.375 380 L HA 0.526 4.870 4.340 0.007 0.000 0.271 380 L C 0.327 177.239 176.870 0.070 0.000 1.107 380 L CA -0.352 54.477 54.840 -0.018 0.000 0.806 380 L CB 1.599 43.640 42.059 -0.031 0.000 1.146 380 L HN 0.834 nan 8.230 nan 0.000 0.447 381 T N 0.703 115.243 114.554 -0.023 0.000 2.841 381 T HA 0.491 4.845 4.350 0.007 0.000 0.296 381 T C -0.995 173.680 174.700 -0.041 0.000 1.166 381 T CA -0.418 61.688 62.100 0.010 0.000 1.007 381 T CB 1.829 70.735 68.868 0.063 0.000 1.253 381 T HN 0.179 nan 8.240 nan 0.000 0.511 382 V N 2.968 122.857 119.914 -0.042 0.000 2.488 382 V HA 0.566 4.690 4.120 0.007 0.000 0.277 382 V C 1.357 177.461 176.094 0.016 0.000 1.046 382 V CA 0.092 62.365 62.300 -0.046 0.000 0.986 382 V CB 0.820 32.600 31.823 -0.071 0.000 0.989 382 V HN 1.023 nan 8.190 nan 0.000 0.475 383 G N 3.026 111.800 108.800 -0.044 0.000 2.504 383 G HA2 0.535 4.499 3.960 0.007 0.000 0.257 383 G HA3 0.535 4.499 3.960 0.007 0.000 0.257 383 G C 0.133 175.054 174.900 0.034 0.000 1.451 383 G CA -0.168 44.887 45.100 -0.075 0.000 1.059 383 G HN 1.073 nan 8.290 nan 0.000 0.550 384 A N 0.685 123.518 122.820 0.022 0.000 2.451 384 A HA 0.502 4.826 4.320 0.007 0.000 0.266 384 A C -1.078 176.351 177.584 -0.259 0.000 1.119 384 A CA -0.929 51.111 52.037 0.005 0.000 0.786 384 A CB 0.504 19.644 19.000 0.234 0.000 1.061 384 A HN 0.388 nan 8.150 nan 0.000 0.503 385 P HA 0.069 nan 4.420 nan 0.000 0.245 385 P C -0.486 176.484 177.300 -0.550 0.000 1.212 385 P CA 0.434 63.215 63.100 -0.533 0.000 0.774 385 P CB -0.176 31.225 31.700 -0.497 0.000 0.999 386 F N 0.413 120.338 119.950 -0.041 0.000 2.427 386 F HA 0.542 5.073 4.527 0.006 0.000 0.346 386 F C 0.613 176.233 175.800 -0.301 0.000 1.120 386 F CA -1.470 56.401 58.000 -0.215 0.000 1.033 386 F CB 0.921 39.773 39.000 -0.247 0.000 1.126 386 F HN -0.436 nan 8.300 nan 0.000 0.462 387 K N 3.862 124.106 120.400 -0.260 0.000 2.206 387 K HA 0.537 4.861 4.320 0.007 0.000 0.264 387 K C -1.322 175.044 176.600 -0.391 0.000 0.967 387 K CA -0.547 55.603 56.287 -0.229 0.000 0.844 387 K CB 1.707 34.119 32.500 -0.146 0.000 1.099 387 K HN 0.517 nan 8.250 nan 0.000 0.441 388 F N -0.058 119.753 119.950 -0.232 0.000 2.522 388 F HA 0.139 4.670 4.527 0.007 0.000 0.324 388 F C 1.761 177.456 175.800 -0.175 0.000 1.077 388 F CA -0.668 57.204 58.000 -0.214 0.000 0.944 388 F CB 1.769 40.529 39.000 -0.401 0.000 1.175 388 F HN 0.543 nan 8.300 nan 0.000 0.468 389 S N 0.378 116.148 115.700 0.118 0.000 2.402 389 S HA -0.055 4.419 4.470 0.007 0.000 0.229 389 S C 1.796 176.448 174.600 0.086 0.000 1.021 389 S CA 0.988 59.230 58.200 0.070 0.000 0.974 389 S CB -0.627 62.612 63.200 0.064 0.000 0.800 389 S HN 0.859 nan 8.310 nan 0.000 0.484 390 G N 0.388 109.284 108.800 0.160 0.000 2.986 390 G HA2 0.470 4.434 3.960 0.007 0.000 0.213 390 G HA3 0.470 4.434 3.960 0.007 0.000 0.213 390 G C 0.123 175.175 174.900 0.254 0.000 1.156 390 G CA 0.085 45.294 45.100 0.183 0.000 0.763 390 G HN 0.691 nan 8.290 nan 0.000 0.547 391 F N -2.255 117.720 119.950 0.042 0.000 2.773 391 F HA 0.771 5.302 4.527 0.006 0.000 0.314 391 F C -1.541 174.285 175.800 0.045 0.000 1.160 391 F CA -1.625 56.377 58.000 0.003 0.000 0.920 391 F CB 1.372 40.327 39.000 -0.075 0.000 1.323 391 F HN -0.128 nan 8.300 nan 0.000 0.457 392 Q N 1.885 121.709 119.800 0.040 0.000 2.331 392 Q HA 0.593 4.937 4.340 0.007 0.000 0.272 392 Q C -2.826 173.269 176.000 0.157 0.000 1.062 392 Q CA -2.094 53.681 55.803 -0.047 0.000 0.806 392 Q CB 2.885 31.605 28.738 -0.028 0.000 1.312 392 Q HN 0.431 nan 8.270 nan 0.000 0.431 393 P HA 0.009 nan 4.420 nan 0.000 0.268 393 P C -1.221 176.069 177.300 -0.017 0.000 1.208 393 P CA 0.108 63.264 63.100 0.094 0.000 0.777 393 P CB 0.492 32.183 31.700 -0.014 0.000 0.875 394 E N 1.790 121.976 120.200 -0.025 0.000 2.255 394 E HA 0.315 4.669 4.350 0.007 0.000 0.245 394 E C -0.448 176.094 176.600 -0.097 0.000 0.909 394 E CA -0.333 56.033 56.400 -0.056 0.000 0.747 394 E CB 0.571 30.264 29.700 -0.012 0.000 1.215 394 E HN 0.368 nan 8.360 nan 0.000 0.424 395 I N 2.950 123.401 120.570 -0.198 0.000 2.416 395 I HA 0.140 4.314 4.170 0.007 0.000 0.288 395 I C 0.584 176.646 176.117 -0.091 0.000 1.051 395 I CA -0.006 61.148 61.300 -0.244 0.000 1.375 395 I CB 0.794 38.503 38.000 -0.485 0.000 1.407 395 I HN 0.386 nan 8.210 nan 0.000 0.516 396 T N 2.826 117.381 114.554 0.001 0.000 2.924 396 T HA 0.544 4.898 4.350 0.007 0.000 0.291 396 T C -0.143 174.605 174.700 0.079 0.000 1.045 396 T CA -1.220 60.898 62.100 0.031 0.000 1.015 396 T CB 1.498 70.390 68.868 0.041 0.000 1.103 396 T HN 0.681 nan 8.240 nan 0.000 0.496 397 R N 1.273 121.826 120.500 0.089 0.000 2.698 397 R HA 0.537 4.881 4.340 0.007 0.000 0.266 397 R C 0.330 176.730 176.300 0.166 0.000 1.026 397 R CA -0.420 55.766 56.100 0.144 0.000 1.102 397 R CB -0.190 30.198 30.300 0.147 0.000 0.978 397 R HN 0.825 nan 8.270 nan 0.000 0.436 398 A N 3.957 126.891 122.820 0.190 0.000 2.483 398 A HA 0.290 4.614 4.320 0.007 0.000 0.238 398 A C -1.900 175.860 177.584 0.293 0.000 1.070 398 A CA -1.278 50.860 52.037 0.168 0.000 0.770 398 A CB -0.294 18.733 19.000 0.047 0.000 1.008 398 A HN 0.778 nan 8.150 nan 0.000 0.497 399 P HA 0.345 nan 4.420 nan 0.000 0.281 399 P C -0.518 176.978 177.300 0.326 0.000 1.249 399 P CA -0.275 63.045 63.100 0.367 0.000 0.810 399 P CB 0.663 32.607 31.700 0.407 0.000 1.008 400 L N 1.654 122.981 121.223 0.173 0.000 2.464 400 L HA 0.135 4.479 4.340 0.007 0.000 0.264 400 L C 1.137 178.034 176.870 0.044 0.000 1.199 400 L CA -0.961 53.918 54.840 0.065 0.000 0.818 400 L CB -0.111 41.958 42.059 0.017 0.000 1.102 400 L HN 0.289 nan 8.230 nan 0.000 0.473 401 L N 2.600 123.806 121.223 -0.028 0.000 2.615 401 L HA 0.193 4.537 4.340 0.007 0.000 0.271 401 L C 0.991 177.867 176.870 0.011 0.000 1.183 401 L CA 1.252 56.080 54.840 -0.019 0.000 0.933 401 L CB -0.139 41.882 42.059 -0.063 0.000 1.199 401 L HN 0.790 nan 8.230 nan 0.000 0.487 402 G N 2.859 111.684 108.800 0.042 0.000 2.153 402 G HA2 -0.360 3.604 3.960 0.007 0.000 0.252 402 G HA3 -0.360 3.604 3.960 0.007 0.000 0.252 402 G C 0.905 175.816 174.900 0.019 0.000 0.994 402 G CA 0.688 45.816 45.100 0.046 0.000 0.698 402 G HN 0.797 nan 8.290 nan 0.000 0.521 403 E N -0.609 119.574 120.200 -0.027 0.000 2.160 403 E HA -0.161 4.193 4.350 0.007 0.000 0.195 403 E C 1.593 177.986 176.600 -0.345 0.000 0.991 403 E CA 1.488 57.754 56.400 -0.223 0.000 0.810 403 E CB -0.046 29.436 29.700 -0.365 0.000 0.742 403 E HN 0.826 nan 8.360 nan 0.000 0.466 404 H N -1.508 117.591 119.070 0.048 0.000 2.592 404 H HA 0.212 4.772 4.556 0.007 0.000 0.279 404 H C 1.307 176.657 175.328 0.037 0.000 1.089 404 H CA 0.265 56.337 56.048 0.040 0.000 1.150 404 H CB 0.777 30.560 29.762 0.035 0.000 1.575 404 H HN 0.009 nan 8.280 nan 0.000 0.547 405 T N 0.599 115.220 114.554 0.112 0.000 2.607 405 T HA -0.196 4.158 4.350 0.007 0.000 0.267 405 T C 1.367 176.117 174.700 0.083 0.000 1.049 405 T CA 2.064 64.214 62.100 0.083 0.000 1.162 405 T CB -0.132 68.783 68.868 0.078 0.000 0.863 405 T HN 0.417 nan 8.240 nan 0.000 0.424 406 D N 0.344 120.809 120.400 0.109 0.000 2.117 406 D HA -0.042 4.602 4.640 0.007 0.000 0.198 406 D C 2.136 178.483 176.300 0.078 0.000 0.982 406 D CA 0.828 54.893 54.000 0.108 0.000 0.828 406 D CB -0.417 40.455 40.800 0.119 0.000 0.967 406 D HN 0.516 nan 8.370 nan 0.000 0.464 407 E N 0.353 120.603 120.200 0.084 0.000 2.070 407 E HA -0.182 4.172 4.350 0.007 0.000 0.197 407 E C 1.976 178.616 176.600 0.067 0.000 1.004 407 E CA 1.091 57.541 56.400 0.084 0.000 0.805 407 E CB 0.110 29.889 29.700 0.132 0.000 0.744 407 E HN 0.023 nan 8.360 nan 0.000 0.451 408 V N 0.965 120.921 119.914 0.070 0.000 2.358 408 V HA -0.239 3.885 4.120 0.007 0.000 0.246 408 V C 2.368 178.478 176.094 0.026 0.000 1.047 408 V CA 1.396 63.719 62.300 0.039 0.000 1.035 408 V CB -0.357 31.486 31.823 0.033 0.000 0.658 408 V HN 0.330 nan 8.190 nan 0.000 0.452 409 L N -0.657 120.584 121.223 0.030 0.000 2.056 409 L HA -0.179 4.165 4.340 0.007 0.000 0.207 409 L C 2.542 179.428 176.870 0.025 0.000 1.078 409 L CA 1.475 56.328 54.840 0.021 0.000 0.749 409 L CB -0.541 41.529 42.059 0.018 0.000 0.901 409 L HN 0.232 nan 8.230 nan 0.000 0.433 410 K N 0.302 120.722 120.400 0.033 0.000 2.152 410 K HA -0.184 4.140 4.320 0.007 0.000 0.206 410 K C 1.952 178.565 176.600 0.022 0.000 1.048 410 K CA 1.237 57.542 56.287 0.029 0.000 0.933 410 K CB -0.058 32.462 32.500 0.034 0.000 0.721 410 K HN 0.302 nan 8.250 nan 0.000 0.447 411 E N 0.052 120.265 120.200 0.021 0.000 2.208 411 E HA -0.087 4.267 4.350 0.007 0.000 0.193 411 E C 1.154 177.760 176.600 0.010 0.000 0.988 411 E CA 0.592 57.001 56.400 0.013 0.000 0.828 411 E CB 0.055 29.761 29.700 0.010 0.000 0.763 411 E HN 0.251 nan 8.360 nan 0.000 0.478 412 L N -0.201 121.028 121.223 0.011 0.000 2.627 412 L HA 0.114 4.458 4.340 0.007 0.000 0.233 412 L C 1.258 178.135 176.870 0.012 0.000 1.144 412 L CA 0.325 55.171 54.840 0.010 0.000 0.892 412 L CB -0.200 41.865 42.059 0.011 0.000 1.039 412 L HN 0.265 nan 8.230 nan 0.000 0.442 413 G N 0.268 109.076 108.800 0.014 0.000 2.143 413 G HA2 -0.276 3.688 3.960 0.007 0.000 0.248 413 G HA3 -0.276 3.688 3.960 0.007 0.000 0.248 413 G C -0.017 174.893 174.900 0.016 0.000 0.991 413 G CA -0.276 44.832 45.100 0.014 0.000 0.689 413 G HN 0.165 nan 8.290 nan 0.000 0.522 414 L N 1.788 123.022 121.223 0.018 0.000 2.397 414 L HA 0.492 4.836 4.340 0.007 0.000 0.271 414 L C 0.825 177.708 176.870 0.023 0.000 1.148 414 L CA 0.053 54.905 54.840 0.020 0.000 0.825 414 L CB 0.728 42.800 42.059 0.020 0.000 1.117 414 L HN 0.436 nan 8.230 nan 0.000 0.456 415 D N -0.079 120.335 120.400 0.022 0.000 2.387 415 D HA 0.101 4.745 4.640 0.007 0.000 0.251 415 D C 0.375 176.692 176.300 0.030 0.000 1.141 415 D CA -0.489 53.525 54.000 0.023 0.000 0.987 415 D CB 0.570 41.382 40.800 0.019 0.000 1.116 415 D HN 0.399 nan 8.370 nan 0.000 0.491 416 D N -0.014 120.403 120.400 0.029 0.000 2.123 416 D HA -0.155 4.489 4.640 0.007 0.000 0.196 416 D C 2.040 178.363 176.300 0.038 0.000 0.992 416 D CA 2.056 56.077 54.000 0.035 0.000 0.833 416 D CB -0.651 40.164 40.800 0.026 0.000 0.954 416 D HN 0.558 nan 8.370 nan 0.000 0.455 417 A N 0.816 123.654 122.820 0.030 0.000 1.908 417 A HA -0.246 4.078 4.320 0.007 0.000 0.218 417 A C 2.107 179.712 177.584 0.035 0.000 1.181 417 A CA 2.201 54.255 52.037 0.030 0.000 0.627 417 A CB -0.437 18.576 19.000 0.022 0.000 0.818 417 A HN 0.119 nan 8.150 nan 0.000 0.445 418 K N 0.148 120.568 120.400 0.032 0.000 2.057 418 K HA 0.039 4.363 4.320 0.007 0.000 0.206 418 K C 1.607 178.229 176.600 0.037 0.000 1.050 418 K CA 1.464 57.769 56.287 0.030 0.000 0.935 418 K CB -0.546 31.968 32.500 0.023 0.000 0.715 418 K HN 0.510 nan 8.250 nan 0.000 0.439 419 I N 0.675 121.277 120.570 0.052 0.000 2.226 419 I HA -0.285 3.889 4.170 0.007 0.000 0.245 419 I C 2.397 178.610 176.117 0.159 0.000 1.100 419 I CA 1.361 62.712 61.300 0.084 0.000 1.374 419 I CB -0.289 37.776 38.000 0.109 0.000 1.057 419 I HN 0.236 nan 8.210 nan 0.000 0.413 420 K N 1.234 121.712 120.400 0.130 0.000 2.063 420 K HA -0.277 4.047 4.320 0.007 0.000 0.208 420 K C 2.116 178.781 176.600 0.108 0.000 1.048 420 K CA 1.859 58.222 56.287 0.126 0.000 0.928 420 K CB -0.136 32.403 32.500 0.065 0.000 0.713 420 K HN 0.277 nan 8.250 nan 0.000 0.442 421 E N 0.505 120.745 120.200 0.066 0.000 2.058 421 E HA -0.213 4.141 4.350 0.007 0.000 0.194 421 E C 2.085 178.707 176.600 0.036 0.000 0.997 421 E CA 1.401 57.828 56.400 0.045 0.000 0.801 421 E CB -0.086 29.631 29.700 0.029 0.000 0.746 421 E HN 0.358 nan 8.360 nan 0.000 0.450 422 L N 0.380 121.610 121.223 0.012 0.000 2.042 422 L HA -0.227 4.117 4.340 0.007 0.000 0.210 422 L C 2.742 179.569 176.870 -0.072 0.000 1.076 422 L CA 1.214 56.024 54.840 -0.049 0.000 0.749 422 L CB -0.678 41.317 42.059 -0.107 0.000 0.893 422 L HN 0.301 nan 8.230 nan 0.000 0.432 423 H N -0.329 118.749 119.070 0.013 0.000 2.321 423 H HA -0.114 4.446 4.556 0.007 0.000 0.300 423 H C 2.296 177.630 175.328 0.009 0.000 1.087 423 H CA 1.595 57.649 56.048 0.011 0.000 1.319 423 H CB -0.103 29.664 29.762 0.008 0.000 1.379 423 H HN 0.370 nan 8.280 nan 0.000 0.501 424 A N 1.418 124.319 122.820 0.134 0.000 1.940 424 A HA -0.174 4.150 4.320 0.007 0.000 0.219 424 A C 2.244 179.857 177.584 0.048 0.000 1.176 424 A CA 1.558 53.640 52.037 0.075 0.000 0.631 424 A CB -0.308 18.726 19.000 0.056 0.000 0.814 424 A HN 0.327 nan 8.150 nan 0.000 0.446 425 K N -0.910 119.512 120.400 0.036 0.000 2.486 425 K HA 0.001 4.325 4.320 0.007 0.000 0.194 425 K C -0.068 176.542 176.600 0.017 0.000 1.033 425 K CA 0.584 56.883 56.287 0.021 0.000 1.004 425 K CB -0.010 32.497 32.500 0.012 0.000 0.798 425 K HN 0.592 nan 8.250 nan 0.000 0.495 426 Q N -0.746 119.067 119.800 0.022 0.000 2.494 426 Q HA -0.187 4.157 4.340 0.007 0.000 0.272 426 Q C 0.650 176.649 176.000 -0.002 0.000 1.145 426 Q CA 0.262 56.075 55.803 0.017 0.000 0.943 426 Q CB -2.098 26.653 28.738 0.022 0.000 1.338 426 Q HN 0.141 nan 8.270 nan 0.000 0.492 427 V N -1.466 118.436 119.914 -0.021 0.000 2.719 427 V HA -0.016 4.108 4.120 0.007 0.000 0.252 427 V C 1.013 177.078 176.094 -0.049 0.000 1.065 427 V CA 1.470 63.755 62.300 -0.025 0.000 1.086 427 V CB 0.546 32.353 31.823 -0.025 0.000 0.700 427 V HN 0.278 nan 8.190 nan 0.000 0.467 428 V N 0.000 119.852 119.914 -0.103 0.000 2.409 428 V HA 0.000 4.124 4.120 0.007 0.000 0.244 428 V CA 0.000 62.207 62.300 -0.156 0.000 1.235 428 V CB 0.000 31.632 31.823 -0.318 0.000 1.184 428 V HN 0.000 nan 8.190 nan 0.000 0.556