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 1v8b_1_B DATA FIRST_RESID 4 DATA SEQUENCE NKSKVKDISL APFGKMQMEI SENEMPGLMR IREEYGKDQP LKNAKITGCL DATA SEQUENCE HMTVECALLI ETLQKLGAQI RWCSCNIYST ADYAAAAVST LENVTVFAWK DATA SEQUENCE NETLEEYWWC VESALTWGDG DDNGPDMIVD DGGDATLLVH KGVEYEKLYE DATA SEQUENCE EKNILPDPEK AKNEEERCFL TLLKNSILKN PKKWTNIAKK IIGVSEETTT DATA SEQUENCE GVLRLKKMDK QNELLFTAIN VNDAVTKQKY DNVYGCRHSL PDGLMRATDF DATA SEQUENCE LISGKIVVIC GYGDVGKGCA SSMKGLGARV YITEIDPICA IQAVMEGFNV DATA SEQUENCE VTLDEIVDKG DFFITCTGNV DVIKLEHLLK MKNNAVVGNI GHFDDEIQVN DATA SEQUENCE ELFNYKGIHI ENVKPQVDRI TLPNGNKIIV LARGRLLNLG CATGHPAFVM DATA SEQUENCE SFSFCNQTFA QLDLWQNKDT NKYENKVYLL PKHLDEKVAL YHLKKLNASL DATA SEQUENCE TELDDNQCQF LGVNKSGPFK SNEYRY 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.555 175.510 0.075 0.000 1.280 4 N CA 0.000 53.100 53.050 0.084 0.000 0.885 4 N CB 0.000 38.529 38.487 0.069 0.000 1.341 5 K N 0.694 121.150 120.400 0.094 0.000 2.210 5 K HA 0.629 4.949 4.320 -0.001 0.000 0.236 5 K C -0.411 176.181 176.600 -0.013 0.000 1.016 5 K CA -0.692 55.614 56.287 0.032 0.000 0.913 5 K CB 1.220 33.741 32.500 0.036 0.000 1.141 5 K HN 0.109 nan 8.250 nan 0.000 0.462 6 S N 0.034 115.656 115.700 -0.130 0.000 2.603 6 S HA 0.135 4.605 4.470 -0.001 0.000 0.268 6 S C -0.549 174.014 174.600 -0.061 0.000 1.317 6 S CA -0.654 57.374 58.200 -0.287 0.000 1.012 6 S CB 0.475 63.533 63.200 -0.237 0.000 0.926 6 S HN 0.502 nan 8.310 nan 0.000 0.539 7 K N 2.113 122.518 120.400 0.009 0.000 2.559 7 K HA 0.531 4.851 4.320 -0.001 0.000 0.249 7 K C -1.116 175.637 176.600 0.255 0.000 0.958 7 K CA -0.468 55.955 56.287 0.227 0.000 0.901 7 K CB 0.595 33.437 32.500 0.570 0.000 1.124 7 K HN 0.509 nan 8.250 nan 0.000 0.437 8 V N 0.248 120.229 119.914 0.111 0.000 3.102 8 V HA 0.458 4.578 4.120 -0.001 0.000 0.312 8 V C 1.068 177.165 176.094 0.004 0.000 1.135 8 V CA -1.049 61.336 62.300 0.141 0.000 1.022 8 V CB 1.836 33.716 31.823 0.095 0.000 1.056 8 V HN 0.576 nan 8.190 nan 0.000 0.436 9 K N 0.865 121.293 120.400 0.047 0.000 1.969 9 K HA -0.111 4.208 4.320 -0.001 0.000 0.216 9 K C 0.247 176.823 176.600 -0.041 0.000 1.048 9 K CA 2.570 58.829 56.287 -0.046 0.000 0.948 9 K CB -0.153 32.382 32.500 0.057 0.000 0.726 9 K HN 1.042 nan 8.250 nan 0.000 0.442 10 D N -0.449 119.956 120.400 0.009 0.000 2.476 10 D HA 0.116 4.756 4.640 -0.001 0.000 0.251 10 D C 0.250 176.566 176.300 0.027 0.000 1.291 10 D CA -0.305 53.699 54.000 0.006 0.000 0.939 10 D CB 0.881 41.686 40.800 0.008 0.000 1.221 10 D HN 0.013 nan 8.370 nan 0.000 0.567 11 I N 3.072 123.652 120.570 0.017 0.000 2.850 11 I HA -0.137 4.032 4.170 -0.001 0.000 0.266 11 I C 1.801 177.940 176.117 0.036 0.000 1.257 11 I CA 1.360 62.675 61.300 0.025 0.000 1.465 11 I CB -0.160 37.846 38.000 0.010 0.000 1.091 11 I HN 0.478 nan 8.210 nan 0.000 0.467 12 S N -0.831 114.888 115.700 0.032 0.000 2.561 12 S HA 0.000 4.470 4.470 -0.001 0.000 0.225 12 S C 1.658 176.295 174.600 0.062 0.000 0.977 12 S CA 0.394 58.616 58.200 0.037 0.000 0.926 12 S CB -0.673 62.541 63.200 0.022 0.000 0.769 12 S HN 0.505 nan 8.310 nan 0.000 0.533 13 L N 0.623 121.897 121.223 0.086 0.000 2.591 13 L HA 0.276 4.615 4.340 -0.001 0.000 0.228 13 L C 2.803 179.791 176.870 0.197 0.000 1.133 13 L CA 0.427 55.354 54.840 0.145 0.000 0.880 13 L CB -0.637 41.525 42.059 0.171 0.000 1.033 13 L HN 0.414 nan 8.230 nan 0.000 0.450 14 A N 1.793 124.691 122.820 0.130 0.000 1.903 14 A HA -0.177 4.143 4.320 -0.001 0.000 0.219 14 A C 0.088 177.740 177.584 0.113 0.000 1.191 14 A CA 2.052 54.155 52.037 0.111 0.000 0.638 14 A CB -1.759 17.278 19.000 0.061 0.000 0.823 14 A HN 0.303 nan 8.150 nan 0.000 0.451 15 P HA -0.173 nan 4.420 nan 0.000 0.217 15 P C 1.598 178.953 177.300 0.091 0.000 1.150 15 P CA 1.247 64.395 63.100 0.080 0.000 0.832 15 P CB -0.253 31.490 31.700 0.072 0.000 0.787 16 F N 1.668 121.620 119.950 0.003 0.000 2.134 16 F HA -0.005 4.521 4.527 -0.001 0.000 0.299 16 F C 2.393 178.174 175.800 -0.032 0.000 1.097 16 F CA 2.115 60.089 58.000 -0.043 0.000 1.264 16 F CB -1.027 37.929 39.000 -0.072 0.000 1.001 16 F HN -0.112 nan 8.300 nan 0.000 0.479 17 G N -0.218 108.713 108.800 0.218 0.000 2.422 17 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.218 17 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.218 17 G C 1.647 176.569 174.900 0.036 0.000 1.146 17 G CA 0.808 46.040 45.100 0.220 0.000 0.769 17 G HN 0.243 nan 8.290 nan 0.000 0.547 18 K N -0.490 119.917 120.400 0.011 0.000 2.057 18 K HA 0.031 4.350 4.320 -0.001 0.000 0.207 18 K C 2.331 178.887 176.600 -0.073 0.000 1.049 18 K CA 1.219 57.493 56.287 -0.022 0.000 0.931 18 K CB -0.298 32.196 32.500 -0.010 0.000 0.714 18 K HN 0.325 nan 8.250 nan 0.000 0.440 19 M N 0.568 120.086 119.600 -0.135 0.000 2.132 19 M HA -0.145 4.334 4.480 -0.001 0.000 0.263 19 M C 1.637 177.816 176.300 -0.202 0.000 1.065 19 M CA 1.665 56.858 55.300 -0.178 0.000 1.122 19 M CB -0.143 32.305 32.600 -0.252 0.000 1.365 19 M HN 0.025 nan 8.290 nan 0.000 0.411 20 Q N -0.306 119.329 119.800 -0.275 0.000 2.124 20 Q HA -0.137 4.202 4.340 -0.001 0.000 0.202 20 Q C 2.184 178.140 176.000 -0.072 0.000 0.977 20 Q CA 1.978 57.661 55.803 -0.199 0.000 0.850 20 Q CB -0.553 28.073 28.738 -0.187 0.000 0.901 20 Q HN 0.628 nan 8.270 nan 0.000 0.429 21 M N 0.097 119.671 119.600 -0.044 0.000 2.175 21 M HA -0.160 4.319 4.480 -0.001 0.000 0.264 21 M C 2.114 178.396 176.300 -0.030 0.000 1.063 21 M CA 1.301 56.590 55.300 -0.019 0.000 1.119 21 M CB -0.233 32.356 32.600 -0.018 0.000 1.377 21 M HN 0.190 nan 8.290 nan 0.000 0.415 22 E N 1.160 121.332 120.200 -0.045 0.000 2.110 22 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 22 E C 1.801 178.379 176.600 -0.037 0.000 0.988 22 E CA 1.201 57.576 56.400 -0.041 0.000 0.804 22 E CB -0.003 29.668 29.700 -0.048 0.000 0.745 22 E HN 0.515 nan 8.360 nan 0.000 0.458 23 I N 0.349 120.891 120.570 -0.046 0.000 2.286 23 I HA -0.175 3.995 4.170 -0.001 0.000 0.245 23 I C 2.326 178.436 176.117 -0.012 0.000 1.104 23 I CA 0.693 61.972 61.300 -0.035 0.000 1.397 23 I CB -0.103 37.866 38.000 -0.052 0.000 1.072 23 I HN 0.020 nan 8.210 nan 0.000 0.417 24 S N 0.137 115.834 115.700 -0.005 0.000 2.474 24 S HA -0.161 4.309 4.470 -0.001 0.000 0.235 24 S C 1.772 176.385 174.600 0.021 0.000 0.997 24 S CA 0.846 59.059 58.200 0.021 0.000 0.949 24 S CB -0.280 62.941 63.200 0.036 0.000 0.766 24 S HN 0.400 nan 8.310 nan 0.000 0.517 25 E N 1.435 121.636 120.200 0.002 0.000 2.118 25 E HA -0.163 4.187 4.350 -0.001 0.000 0.195 25 E C 1.439 178.038 176.600 -0.002 0.000 0.992 25 E CA 1.153 57.549 56.400 -0.007 0.000 0.804 25 E CB -0.143 29.545 29.700 -0.019 0.000 0.741 25 E HN 0.598 nan 8.360 nan 0.000 0.458 26 N N 0.233 118.939 118.700 0.009 0.000 2.396 26 N HA -0.092 4.647 4.740 -0.001 0.000 0.180 26 N C 1.095 176.647 175.510 0.069 0.000 1.028 26 N CA 0.510 53.574 53.050 0.023 0.000 0.893 26 N CB 0.229 38.726 38.487 0.017 0.000 0.967 26 N HN 0.038 nan 8.380 nan 0.000 0.440 27 E N 0.039 120.291 120.200 0.087 0.000 2.489 27 E HA 0.109 4.458 4.350 -0.001 0.000 0.193 27 E C 0.028 176.704 176.600 0.126 0.000 1.057 27 E CA 0.409 56.921 56.400 0.187 0.000 0.866 27 E CB 0.246 30.040 29.700 0.156 0.000 0.916 27 E HN 0.487 nan 8.360 nan 0.000 0.500 28 M N 1.447 121.051 119.600 0.006 0.000 2.944 28 M HA 0.165 4.645 4.480 -0.001 0.000 0.235 28 M C -1.864 174.345 176.300 -0.151 0.000 1.188 28 M CA -1.394 53.845 55.300 -0.101 0.000 0.688 28 M CB 1.505 34.079 32.600 -0.043 0.000 1.406 28 M HN -0.224 nan 8.290 nan 0.000 0.479 29 P HA -0.142 nan 4.420 nan 0.000 0.219 29 P C 1.321 178.384 177.300 -0.394 0.000 1.146 29 P CA 1.607 64.555 63.100 -0.253 0.000 0.808 29 P CB 0.175 31.754 31.700 -0.203 0.000 0.779 30 G N 0.794 109.245 108.800 -0.582 0.000 2.434 30 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.214 30 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.214 30 G C 1.724 176.546 174.900 -0.131 0.000 1.202 30 G CA 0.386 45.240 45.100 -0.410 0.000 0.788 30 G HN 0.216 nan 8.290 nan 0.000 0.539 31 L N 0.137 121.300 121.223 -0.100 0.000 2.083 31 L HA -0.089 4.250 4.340 -0.001 0.000 0.209 31 L C 3.059 179.876 176.870 -0.088 0.000 1.083 31 L CA 0.760 55.557 54.840 -0.072 0.000 0.752 31 L CB -0.265 41.777 42.059 -0.029 0.000 0.899 31 L HN 0.186 nan 8.230 nan 0.000 0.433 32 M N -1.131 118.404 119.600 -0.108 0.000 2.229 32 M HA -0.141 4.338 4.480 -0.001 0.000 0.264 32 M C 2.259 178.482 176.300 -0.128 0.000 1.063 32 M CA 1.396 56.635 55.300 -0.102 0.000 1.114 32 M CB -1.172 31.370 32.600 -0.098 0.000 1.387 32 M HN 0.160 nan 8.290 nan 0.000 0.420 33 R N 0.427 120.805 120.500 -0.203 0.000 2.092 33 R HA -0.013 4.327 4.340 -0.001 0.000 0.231 33 R C 2.074 178.278 176.300 -0.161 0.000 1.119 33 R CA 0.985 56.901 56.100 -0.306 0.000 0.970 33 R CB -0.610 29.265 30.300 -0.708 0.000 0.864 33 R HN 0.338 nan 8.270 nan 0.000 0.440 34 I N 0.694 121.233 120.570 -0.051 0.000 2.179 34 I HA -0.248 3.922 4.170 -0.001 0.000 0.242 34 I C 2.238 178.433 176.117 0.130 0.000 1.088 34 I CA 1.299 62.666 61.300 0.110 0.000 1.357 34 I CB -0.914 37.060 38.000 -0.042 0.000 1.051 34 I HN 0.129 nan 8.210 nan 0.000 0.409 35 R N 0.720 121.234 120.500 0.023 0.000 2.096 35 R HA -0.167 4.173 4.340 -0.001 0.000 0.235 35 R C 2.090 178.402 176.300 0.019 0.000 1.127 35 R CA 1.238 57.349 56.100 0.020 0.000 0.968 35 R CB -0.238 30.049 30.300 -0.021 0.000 0.861 35 R HN 0.520 nan 8.270 nan 0.000 0.440 36 E N 0.234 120.425 120.200 -0.015 0.000 2.152 36 E HA -0.141 4.208 4.350 -0.001 0.000 0.192 36 E C 1.693 178.273 176.600 -0.034 0.000 0.983 36 E CA 0.890 57.269 56.400 -0.036 0.000 0.818 36 E CB 0.171 29.827 29.700 -0.073 0.000 0.758 36 E HN 0.445 nan 8.360 nan 0.000 0.467 37 E N -0.018 120.174 120.200 -0.013 0.000 2.038 37 E HA -0.054 4.295 4.350 -0.001 0.000 0.190 37 E C 0.762 177.257 176.600 -0.175 0.000 0.967 37 E CA 0.599 56.929 56.400 -0.117 0.000 0.816 37 E CB 0.059 29.668 29.700 -0.152 0.000 0.784 37 E HN 0.272 nan 8.360 nan 0.000 0.456 38 Y N 0.697 121.030 120.300 0.055 0.000 2.596 38 Y HA 0.253 4.802 4.550 -0.001 0.000 0.316 38 Y C 1.547 177.464 175.900 0.028 0.000 1.156 38 Y CA -0.054 58.083 58.100 0.061 0.000 1.300 38 Y CB -0.066 38.451 38.460 0.094 0.000 1.130 38 Y HN 0.077 nan 8.280 nan 0.000 0.518 39 G N 1.334 110.201 108.800 0.111 0.000 2.547 39 G HA2 -0.192 3.768 3.960 -0.001 0.000 0.214 39 G HA3 -0.192 3.768 3.960 -0.001 0.000 0.214 39 G C 1.729 176.655 174.900 0.044 0.000 1.254 39 G CA 0.309 45.447 45.100 0.062 0.000 0.817 39 G HN 0.298 nan 8.290 nan 0.000 0.551 40 K N 1.023 121.437 120.400 0.024 0.000 2.574 40 K HA -0.062 4.258 4.320 -0.001 0.000 0.193 40 K C 1.277 177.895 176.600 0.029 0.000 1.035 40 K CA 1.408 57.706 56.287 0.018 0.000 0.982 40 K CB -0.133 32.371 32.500 0.005 0.000 0.795 40 K HN 0.346 nan 8.250 nan 0.000 0.491 41 D N 1.178 121.606 120.400 0.047 0.000 2.249 41 D HA -0.105 4.534 4.640 -0.001 0.000 0.205 41 D C -0.185 176.163 176.300 0.080 0.000 0.962 41 D CA 0.374 54.412 54.000 0.064 0.000 0.860 41 D CB 0.283 41.132 40.800 0.081 0.000 0.955 41 D HN 0.124 nan 8.370 nan 0.000 0.505 42 Q N -0.202 119.646 119.800 0.079 0.000 2.453 42 Q HA -0.161 4.179 4.340 -0.001 0.000 0.330 42 Q C -1.718 174.333 176.000 0.086 0.000 1.417 42 Q CA 0.686 56.526 55.803 0.061 0.000 0.902 42 Q CB -1.548 27.215 28.738 0.042 0.000 1.154 42 Q HN 0.456 nan 8.270 nan 0.000 0.395 43 P HA -0.110 nan 4.420 nan 0.000 0.223 43 P C 1.007 178.376 177.300 0.115 0.000 1.151 43 P CA 0.860 64.066 63.100 0.176 0.000 0.787 43 P CB 0.194 32.036 31.700 0.237 0.000 0.788 44 L N -1.178 119.999 121.223 -0.077 0.000 2.741 44 L HA 0.240 4.579 4.340 -0.001 0.000 0.237 44 L C 0.919 177.561 176.870 -0.380 0.000 1.178 44 L CA -0.633 53.954 54.840 -0.421 0.000 0.973 44 L CB -0.340 41.491 42.059 -0.380 0.000 1.255 44 L HN -0.185 nan 8.230 nan 0.000 0.498 45 K N 1.541 121.876 120.400 -0.108 0.000 2.511 45 K HA -0.060 4.259 4.320 -0.001 0.000 0.280 45 K C 0.829 177.410 176.600 -0.033 0.000 1.008 45 K CA 0.644 56.905 56.287 -0.043 0.000 1.050 45 K CB 0.049 32.577 32.500 0.047 0.000 0.889 45 K HN 0.144 nan 8.250 nan 0.000 0.484 46 N N 0.201 118.863 118.700 -0.065 0.000 2.965 46 N HA -0.211 4.528 4.740 -0.001 0.000 0.232 46 N C -0.968 174.448 175.510 -0.158 0.000 0.913 46 N CA 1.333 54.366 53.050 -0.028 0.000 0.981 46 N CB -1.583 36.968 38.487 0.108 0.000 1.077 46 N HN 0.613 nan 8.380 nan 0.000 0.589 47 A N 1.017 123.524 122.820 -0.523 0.000 2.363 47 A HA 0.429 4.748 4.320 -0.001 0.000 0.270 47 A C 0.430 177.723 177.584 -0.485 0.000 1.121 47 A CA 0.027 51.527 52.037 -0.896 0.000 0.800 47 A CB 0.553 18.529 19.000 -1.706 0.000 1.052 47 A HN 0.156 nan 8.150 nan 0.000 0.493 48 K N 2.623 122.740 120.400 -0.470 0.000 2.281 48 K HA 0.503 4.823 4.320 -0.001 0.000 0.272 48 K C -1.234 175.117 176.600 -0.415 0.000 1.048 48 K CA 0.147 56.025 56.287 -0.682 0.000 0.898 48 K CB 1.167 32.874 32.500 -1.322 0.000 1.128 48 K HN 0.628 nan 8.250 nan 0.000 0.460 49 I N 2.175 122.716 120.570 -0.047 0.000 2.406 49 I HA 0.190 4.360 4.170 -0.001 0.000 0.290 49 I C -0.111 176.234 176.117 0.380 0.000 0.999 49 I CA -0.622 60.745 61.300 0.111 0.000 1.124 49 I CB 2.117 40.168 38.000 0.084 0.000 1.289 49 I HN 0.412 nan 8.210 nan 0.000 0.441 50 T N 4.489 119.195 114.554 0.253 0.000 2.794 50 T HA 0.580 4.929 4.350 -0.001 0.000 0.280 50 T C 0.136 174.712 174.700 -0.208 0.000 0.987 50 T CA -0.564 61.642 62.100 0.177 0.000 0.993 50 T CB 1.548 70.556 68.868 0.234 0.000 0.939 50 T HN 0.794 nan 8.240 nan 0.000 0.449 51 G N 0.156 108.572 108.800 -0.639 0.000 2.448 51 G HA2 0.523 4.483 3.960 -0.001 0.000 0.324 51 G HA3 0.523 4.483 3.960 -0.001 0.000 0.324 51 G C -0.965 173.056 174.900 -1.466 0.000 1.203 51 G CA -0.490 43.593 45.100 -1.695 0.000 0.954 51 G HN 0.812 nan 8.290 nan 0.000 0.480 52 C N 3.648 122.357 119.300 -0.985 0.000 3.328 52 C HA 0.754 5.214 4.460 -0.001 0.000 0.230 52 C C -0.677 174.099 174.990 -0.356 0.000 1.232 52 C CA -0.639 58.042 59.018 -0.561 0.000 1.431 52 C CB -1.879 25.670 27.740 -0.318 0.000 1.818 52 C HN 0.732 nan 8.230 nan 0.000 0.484 53 L N 4.442 125.528 121.223 -0.230 0.000 2.466 53 L HA 0.574 4.914 4.340 -0.001 0.000 0.258 53 L C -0.445 176.529 176.870 0.174 0.000 0.973 53 L CA -0.329 54.521 54.840 0.017 0.000 0.826 53 L CB 1.394 43.598 42.059 0.243 0.000 1.372 53 L HN 0.524 nan 8.230 nan 0.000 0.409 54 H N 4.123 123.309 119.070 0.193 0.000 3.221 54 H HA -0.122 4.434 4.556 -0.001 0.000 0.272 54 H C 0.106 175.547 175.328 0.189 0.000 0.865 54 H CA 0.562 56.703 56.048 0.155 0.000 1.419 54 H CB 0.301 30.128 29.762 0.109 0.000 1.377 54 H HN 0.459 nan 8.280 nan 0.000 0.535 55 M N 4.711 124.456 119.600 0.241 0.000 3.237 55 M HA 0.042 4.521 4.480 -0.001 0.000 0.266 55 M C 0.028 176.370 176.300 0.070 0.000 1.456 55 M CA -0.204 55.182 55.300 0.144 0.000 1.593 55 M CB -0.678 31.997 32.600 0.124 0.000 1.129 55 M HN 0.618 nan 8.290 nan 0.000 0.547 56 T N -1.449 113.159 114.554 0.090 0.000 2.919 56 T HA 0.495 4.844 4.350 -0.001 0.000 0.282 56 T C 1.074 175.805 174.700 0.053 0.000 1.020 56 T CA -0.920 61.217 62.100 0.061 0.000 0.994 56 T CB 0.807 69.744 68.868 0.115 0.000 1.180 56 T HN 0.101 nan 8.240 nan 0.000 0.566 57 V N 1.125 121.093 119.914 0.091 0.000 2.287 57 V HA -0.130 3.989 4.120 -0.001 0.000 0.248 57 V C 2.748 178.903 176.094 0.101 0.000 1.053 57 V CA 2.182 64.550 62.300 0.112 0.000 1.027 57 V CB -1.154 30.778 31.823 0.181 0.000 0.646 57 V HN 0.872 nan 8.190 nan 0.000 0.447 58 E N -0.799 119.499 120.200 0.162 0.000 2.110 58 E HA -0.215 4.135 4.350 -0.001 0.000 0.193 58 E C 2.171 178.976 176.600 0.342 0.000 0.988 58 E CA 1.525 58.085 56.400 0.266 0.000 0.804 58 E CB -0.828 29.050 29.700 0.297 0.000 0.745 58 E HN 0.660 nan 8.360 nan 0.000 0.458 59 C N 0.202 119.623 119.300 0.203 0.000 2.457 59 C HA 0.099 4.558 4.460 -0.001 0.000 0.278 59 C C 2.703 177.493 174.990 -0.332 0.000 1.309 59 C CA 0.910 59.856 59.018 -0.120 0.000 1.735 59 C CB -1.031 26.703 27.740 -0.009 0.000 1.992 59 C HN 0.479 nan 8.230 nan 0.000 0.493 60 A N 0.392 123.096 122.820 -0.193 0.000 1.933 60 A HA -0.040 4.279 4.320 -0.001 0.000 0.218 60 A C 2.172 179.632 177.584 -0.206 0.000 1.175 60 A CA 1.637 53.539 52.037 -0.225 0.000 0.628 60 A CB -0.676 18.259 19.000 -0.107 0.000 0.814 60 A HN 0.664 nan 8.150 nan 0.000 0.444 61 L N -0.950 120.202 121.223 -0.117 0.000 2.201 61 L HA -0.124 4.215 4.340 -0.001 0.000 0.212 61 L C 2.485 179.264 176.870 -0.153 0.000 1.105 61 L CA 0.805 55.592 54.840 -0.088 0.000 0.775 61 L CB -0.399 41.659 42.059 -0.001 0.000 0.913 61 L HN 0.504 nan 8.230 nan 0.000 0.440 62 L N -0.124 120.929 121.223 -0.284 0.000 2.044 62 L HA -0.145 4.195 4.340 -0.001 0.000 0.205 62 L C 2.383 179.016 176.870 -0.395 0.000 1.075 62 L CA 1.647 56.237 54.840 -0.417 0.000 0.747 62 L CB -0.374 41.136 42.059 -0.916 0.000 0.903 62 L HN 0.008 nan 8.230 nan 0.000 0.435 63 I N 0.197 120.453 120.570 -0.523 0.000 2.127 63 I HA -0.309 3.861 4.170 -0.001 0.000 0.241 63 I C 2.582 178.536 176.117 -0.272 0.000 1.075 63 I CA 1.815 62.816 61.300 -0.498 0.000 1.334 63 I CB -1.544 36.098 38.000 -0.597 0.000 1.040 63 I HN 0.522 nan 8.210 nan 0.000 0.405 64 E N 0.568 120.635 120.200 -0.223 0.000 2.118 64 E HA -0.207 4.143 4.350 -0.001 0.000 0.195 64 E C 2.054 178.583 176.600 -0.117 0.000 0.992 64 E CA 1.954 58.268 56.400 -0.143 0.000 0.804 64 E CB 0.124 29.755 29.700 -0.114 0.000 0.741 64 E HN 0.454 nan 8.360 nan 0.000 0.458 65 T N 1.063 115.539 114.554 -0.130 0.000 2.737 65 T HA -0.092 4.258 4.350 -0.001 0.000 0.265 65 T C 1.861 176.502 174.700 -0.099 0.000 1.038 65 T CA 1.021 63.059 62.100 -0.103 0.000 1.144 65 T CB -0.140 68.663 68.868 -0.107 0.000 0.866 65 T HN 0.147 nan 8.240 nan 0.000 0.434 66 L N 1.172 122.322 121.223 -0.121 0.000 2.017 66 L HA -0.191 4.148 4.340 -0.001 0.000 0.208 66 L C 2.930 179.749 176.870 -0.085 0.000 1.073 66 L CA 1.611 56.391 54.840 -0.099 0.000 0.745 66 L CB -0.679 41.332 42.059 -0.081 0.000 0.894 66 L HN 0.375 nan 8.230 nan 0.000 0.432 67 Q N 0.572 120.322 119.800 -0.082 0.000 2.119 67 Q HA -0.205 4.134 4.340 -0.001 0.000 0.201 67 Q C 1.870 177.839 176.000 -0.052 0.000 0.972 67 Q CA 1.559 57.326 55.803 -0.061 0.000 0.847 67 Q CB -0.336 28.367 28.738 -0.059 0.000 0.903 67 Q HN 0.271 nan 8.270 nan 0.000 0.433 68 K N 0.022 120.390 120.400 -0.053 0.000 2.442 68 K HA 0.055 4.374 4.320 -0.001 0.000 0.198 68 K C 1.283 177.869 176.600 -0.023 0.000 1.042 68 K CA 0.671 56.936 56.287 -0.036 0.000 0.958 68 K CB 0.046 32.525 32.500 -0.036 0.000 0.766 68 K HN 0.314 nan 8.250 nan 0.000 0.474 69 L N -0.705 120.498 121.223 -0.035 0.000 2.592 69 L HA 0.119 4.458 4.340 -0.001 0.000 0.227 69 L C 0.985 177.832 176.870 -0.038 0.000 1.127 69 L CA 0.263 55.090 54.840 -0.021 0.000 0.884 69 L CB 0.353 42.389 42.059 -0.039 0.000 1.065 69 L HN 0.383 nan 8.230 nan 0.000 0.457 70 G N -0.001 108.769 108.800 -0.049 0.000 2.148 70 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.203 70 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.203 70 G C 0.228 175.070 174.900 -0.096 0.000 0.993 70 G CA -0.061 45.007 45.100 -0.054 0.000 0.661 70 G HN 0.434 nan 8.290 nan 0.000 0.518 71 A N -0.458 122.291 122.820 -0.118 0.000 2.269 71 A HA 0.845 5.165 4.320 -0.001 0.000 0.319 71 A C 0.244 177.803 177.584 -0.043 0.000 1.110 71 A CA -0.237 51.712 52.037 -0.146 0.000 0.847 71 A CB 0.719 19.604 19.000 -0.192 0.000 1.161 71 A HN 0.444 nan 8.150 nan 0.000 0.497 72 Q N -0.424 119.379 119.800 0.005 0.000 2.274 72 Q HA 0.645 4.985 4.340 -0.001 0.000 0.260 72 Q C -1.563 174.633 176.000 0.328 0.000 0.974 72 Q CA -0.285 55.616 55.803 0.164 0.000 0.876 72 Q CB 2.012 30.904 28.738 0.256 0.000 1.297 72 Q HN 0.580 nan 8.270 nan 0.000 0.446 73 I N 1.090 121.848 120.570 0.312 0.000 2.647 73 I HA 0.430 4.599 4.170 -0.001 0.000 0.295 73 I C -0.724 175.487 176.117 0.157 0.000 1.078 73 I CA -0.433 61.069 61.300 0.337 0.000 1.048 73 I CB 2.160 40.295 38.000 0.224 0.000 1.239 73 I HN 0.377 nan 8.210 nan 0.000 0.421 74 R N 4.228 124.819 120.500 0.153 0.000 2.561 74 R HA 0.508 4.848 4.340 -0.001 0.000 0.297 74 R C -1.760 174.673 176.300 0.221 0.000 0.969 74 R CA -0.726 55.349 56.100 -0.043 0.000 0.879 74 R CB 2.487 32.514 30.300 -0.454 0.000 1.178 74 R HN 0.589 nan 8.270 nan 0.000 0.445 75 W N 3.436 124.714 121.300 -0.036 0.000 3.033 75 W HA 0.539 5.198 4.660 -0.001 0.000 0.336 75 W C -1.020 175.520 176.519 0.035 0.000 1.173 75 W CA -0.586 56.754 57.345 -0.009 0.000 1.185 75 W CB 2.072 31.502 29.460 -0.050 0.000 1.425 75 W HN 0.762 nan 8.180 nan 0.000 0.536 76 C N 1.010 120.335 119.300 0.042 0.000 3.291 76 C HA 0.771 5.231 4.460 -0.001 0.000 0.316 76 C C -0.147 174.853 174.990 0.016 0.000 1.391 76 C CA -0.679 58.374 59.018 0.058 0.000 1.394 76 C CB 1.266 28.953 27.740 -0.090 0.000 1.744 76 C HN 0.590 nan 8.230 nan 0.000 0.461 77 S N -0.694 115.015 115.700 0.015 0.000 2.616 77 S HA 0.488 4.957 4.470 -0.001 0.000 0.277 77 S C 0.919 175.511 174.600 -0.014 0.000 1.234 77 S CA -0.058 58.160 58.200 0.030 0.000 1.028 77 S CB 0.639 63.870 63.200 0.050 0.000 0.988 77 S HN 1.664 nan 8.310 nan 0.000 0.522 78 C N 3.103 122.347 119.300 -0.093 0.000 2.754 78 C HA 0.529 4.988 4.460 -0.001 0.000 0.276 78 C C 0.355 175.305 174.990 -0.067 0.000 1.264 78 C CA -0.878 58.109 59.018 -0.053 0.000 1.700 78 C CB -1.935 25.659 27.740 -0.243 0.000 1.885 78 C HN 0.710 nan 8.230 nan 0.000 0.607 79 N N 1.062 119.722 118.700 -0.066 0.000 2.367 79 N HA 0.291 5.031 4.740 -0.001 0.000 0.278 79 N C 0.265 175.653 175.510 -0.204 0.000 1.117 79 N CA -0.419 52.527 53.050 -0.173 0.000 0.867 79 N CB 1.624 40.154 38.487 0.071 0.000 1.649 79 N HN 0.419 nan 8.380 nan 0.000 0.479 80 I N 0.169 120.465 120.570 -0.457 0.000 3.444 80 I HA 0.079 4.248 4.170 -0.001 0.000 0.287 80 I C -0.077 175.822 176.117 -0.363 0.000 1.302 80 I CA 0.652 61.671 61.300 -0.469 0.000 1.368 80 I CB -0.272 37.335 38.000 -0.654 0.000 1.048 80 I HN 0.436 nan 8.210 nan 0.000 0.487 81 Y N 0.293 120.577 120.300 -0.027 0.000 2.425 81 Y HA 0.114 4.663 4.550 -0.001 0.000 0.261 81 Y C 2.576 178.491 175.900 0.024 0.000 1.084 81 Y CA 0.120 58.221 58.100 0.003 0.000 1.248 81 Y CB 0.387 38.846 38.460 -0.003 0.000 1.270 81 Y HN 0.222 nan 8.280 nan 0.000 0.524 82 S N -0.596 115.214 115.700 0.185 0.000 2.481 82 S HA -0.029 4.441 4.470 -0.001 0.000 0.231 82 S C 0.826 175.502 174.600 0.128 0.000 0.996 82 S CA 0.227 58.524 58.200 0.163 0.000 0.942 82 S CB -0.660 62.728 63.200 0.314 0.000 0.768 82 S HN 0.062 nan 8.310 nan 0.000 0.520 83 T N 3.205 117.823 114.554 0.107 0.000 2.888 83 T HA 0.491 4.841 4.350 -0.001 0.000 0.301 83 T C 0.072 174.772 174.700 0.000 0.000 1.001 83 T CA 0.279 62.418 62.100 0.065 0.000 1.147 83 T CB 0.853 69.760 68.868 0.064 0.000 0.931 83 T HN 0.461 nan 8.240 nan 0.000 0.541 84 A N 3.444 126.202 122.820 -0.105 0.000 2.280 84 A HA 0.374 4.693 4.320 -0.001 0.000 0.320 84 A C 1.173 178.540 177.584 -0.362 0.000 1.366 84 A CA -0.772 51.050 52.037 -0.358 0.000 0.938 84 A CB 0.203 18.834 19.000 -0.615 0.000 1.157 84 A HN 0.818 nan 8.150 nan 0.000 0.536 85 D N 1.559 121.844 120.400 -0.192 0.000 2.149 85 D HA -0.258 4.382 4.640 -0.001 0.000 0.194 85 D C 1.463 177.754 176.300 -0.015 0.000 1.001 85 D CA 2.503 56.485 54.000 -0.031 0.000 0.849 85 D CB -0.237 40.602 40.800 0.065 0.000 0.939 85 D HN 0.914 nan 8.370 nan 0.000 0.449 86 Y N 0.005 120.383 120.300 0.130 0.000 2.352 86 Y HA 0.193 4.742 4.550 -0.001 0.000 0.292 86 Y C 2.269 178.255 175.900 0.145 0.000 1.136 86 Y CA 0.648 58.852 58.100 0.173 0.000 1.227 86 Y CB -0.795 37.873 38.460 0.347 0.000 0.991 86 Y HN -0.066 nan 8.280 nan 0.000 0.545 87 A N 1.189 123.965 122.820 -0.072 0.000 1.930 87 A HA 0.186 4.506 4.320 -0.001 0.000 0.215 87 A C 2.454 180.032 177.584 -0.011 0.000 1.176 87 A CA 1.190 53.233 52.037 0.010 0.000 0.632 87 A CB -1.178 17.773 19.000 -0.080 0.000 0.819 87 A HN 0.548 nan 8.150 nan 0.000 0.445 88 A N 0.144 122.949 122.820 -0.024 0.000 1.902 88 A HA 0.169 4.489 4.320 -0.001 0.000 0.217 88 A C 2.478 180.071 177.584 0.015 0.000 1.181 88 A CA 2.029 54.068 52.037 0.004 0.000 0.623 88 A CB -0.960 18.073 19.000 0.055 0.000 0.818 88 A HN 0.959 nan 8.150 nan 0.000 0.443 89 A N -0.095 122.754 122.820 0.047 0.000 1.877 89 A HA 0.172 4.492 4.320 -0.001 0.000 0.216 89 A C 2.537 180.143 177.584 0.037 0.000 1.186 89 A CA 2.145 54.212 52.037 0.050 0.000 0.620 89 A CB -1.116 17.935 19.000 0.084 0.000 0.822 89 A HN 1.056 nan 8.150 nan 0.000 0.443 90 A N -0.811 122.044 122.820 0.059 0.000 1.883 90 A HA -0.061 4.258 4.320 -0.001 0.000 0.217 90 A C 2.345 179.922 177.584 -0.012 0.000 1.186 90 A CA 1.901 53.961 52.037 0.038 0.000 0.624 90 A CB -1.144 17.896 19.000 0.066 0.000 0.822 90 A HN 0.775 nan 8.150 nan 0.000 0.444 91 V N 1.035 120.926 119.914 -0.040 0.000 2.515 91 V HA -0.167 3.952 4.120 -0.001 0.000 0.250 91 V C 2.710 178.752 176.094 -0.088 0.000 1.058 91 V CA 2.611 64.856 62.300 -0.091 0.000 1.064 91 V CB -0.478 31.249 31.823 -0.160 0.000 0.675 91 V HN 0.808 nan 8.190 nan 0.000 0.461 92 S N -1.955 113.703 115.700 -0.070 0.000 2.537 92 S HA -0.162 4.308 4.470 -0.001 0.000 0.240 92 S C 1.734 176.298 174.600 -0.060 0.000 0.981 92 S CA 1.616 59.769 58.200 -0.079 0.000 0.948 92 S CB -0.498 62.659 63.200 -0.071 0.000 0.759 92 S HN 0.603 nan 8.310 nan 0.000 0.531 93 T N 2.202 116.730 114.554 -0.043 0.000 2.978 93 T HA 0.257 4.607 4.350 -0.001 0.000 0.262 93 T C 0.673 175.352 174.700 -0.035 0.000 1.063 93 T CA 0.088 62.170 62.100 -0.030 0.000 1.140 93 T CB -0.242 68.616 68.868 -0.017 0.000 0.886 93 T HN 0.232 nan 8.240 nan 0.000 0.470 94 L N 2.499 123.694 121.223 -0.046 0.000 2.499 94 L HA 0.112 4.451 4.340 -0.001 0.000 0.281 94 L C 0.829 177.677 176.870 -0.037 0.000 1.234 94 L CA 0.491 55.304 54.840 -0.045 0.000 0.839 94 L CB -0.050 41.971 42.059 -0.063 0.000 1.104 94 L HN 0.282 nan 8.230 nan 0.000 0.500 95 E N 2.723 122.906 120.200 -0.027 0.000 2.360 95 E HA 0.033 4.383 4.350 -0.001 0.000 0.269 95 E C 0.315 176.909 176.600 -0.010 0.000 1.022 95 E CA -0.169 56.222 56.400 -0.015 0.000 0.887 95 E CB 0.282 29.977 29.700 -0.009 0.000 0.990 95 E HN 0.428 nan 8.360 nan 0.000 0.426 96 N N -0.078 118.624 118.700 0.003 0.000 2.776 96 N HA -0.158 4.581 4.740 -0.001 0.000 0.250 96 N C -1.024 174.499 175.510 0.021 0.000 1.112 96 N CA 0.602 53.668 53.050 0.028 0.000 0.733 96 N CB -1.224 37.287 38.487 0.040 0.000 1.097 96 N HN 0.164 nan 8.380 nan 0.000 0.558 97 V N 0.590 120.491 119.914 -0.021 0.000 2.525 97 V HA 0.481 4.600 4.120 -0.001 0.000 0.299 97 V C 0.195 176.230 176.094 -0.098 0.000 1.034 97 V CA -0.396 61.876 62.300 -0.046 0.000 0.863 97 V CB 2.342 34.123 31.823 -0.070 0.000 0.999 97 V HN 0.103 nan 8.190 nan 0.000 0.423 98 T N 4.244 118.713 114.554 -0.142 0.000 2.824 98 T HA 0.708 5.057 4.350 -0.001 0.000 0.282 98 T C -0.580 173.898 174.700 -0.370 0.000 0.993 98 T CA -0.473 61.456 62.100 -0.284 0.000 0.967 98 T CB 1.894 70.580 68.868 -0.303 0.000 0.960 98 T HN 0.339 nan 8.240 nan 0.000 0.441 99 V N 3.433 123.039 119.914 -0.513 0.000 2.656 99 V HA 0.595 4.714 4.120 -0.001 0.000 0.307 99 V C -1.258 174.468 176.094 -0.613 0.000 1.051 99 V CA -0.904 61.171 62.300 -0.375 0.000 0.893 99 V CB 1.656 33.403 31.823 -0.127 0.000 0.999 99 V HN 0.896 nan 8.190 nan 0.000 0.426 100 F N 3.200 123.238 119.950 0.146 0.000 2.691 100 F HA 0.824 5.351 4.527 -0.001 0.000 0.371 100 F C 0.250 176.145 175.800 0.160 0.000 1.159 100 F CA -0.306 57.832 58.000 0.230 0.000 1.174 100 F CB 1.582 40.663 39.000 0.135 0.000 1.419 100 F HN 0.623 nan 8.300 nan 0.000 0.514 101 A N 2.556 125.587 122.820 0.352 0.000 2.594 101 A HA 0.779 5.099 4.320 -0.001 0.000 0.296 101 A C -2.161 175.626 177.584 0.339 0.000 1.056 101 A CA -0.808 51.306 52.037 0.127 0.000 0.693 101 A CB 0.918 19.979 19.000 0.101 0.000 1.278 101 A HN 0.767 nan 8.150 nan 0.000 0.408 102 W N 0.923 122.289 121.300 0.110 0.000 3.275 102 W HA 0.697 5.356 4.660 -0.002 0.000 0.306 102 W C -0.933 175.638 176.519 0.088 0.000 1.259 102 W CA -0.768 56.625 57.345 0.080 0.000 1.194 102 W CB 0.833 30.337 29.460 0.074 0.000 1.375 102 W HN 0.785 nan 8.180 nan 0.000 0.564 103 K N 2.475 123.047 120.400 0.287 0.000 2.326 103 K HA 0.132 4.451 4.320 -0.001 0.000 0.275 103 K C 0.471 177.251 176.600 0.299 0.000 1.018 103 K CA 0.261 56.678 56.287 0.217 0.000 0.962 103 K CB 0.178 32.786 32.500 0.180 0.000 0.953 103 K HN 0.710 nan 8.250 nan 0.000 0.475 104 N N 2.013 120.885 118.700 0.287 0.000 2.780 104 N HA -0.163 4.576 4.740 -0.001 0.000 0.248 104 N C -1.199 174.464 175.510 0.256 0.000 1.102 104 N CA 1.182 54.430 53.050 0.330 0.000 0.697 104 N CB -1.070 37.593 38.487 0.294 0.000 1.028 104 N HN 0.744 nan 8.380 nan 0.000 0.554 105 E N -0.422 119.807 120.200 0.049 0.000 2.343 105 E HA 0.383 4.733 4.350 -0.001 0.000 0.269 105 E C 0.850 177.461 176.600 0.018 0.000 1.047 105 E CA -0.601 55.804 56.400 0.008 0.000 0.874 105 E CB 0.691 30.037 29.700 -0.590 0.000 1.033 105 E HN 0.267 nan 8.360 nan 0.000 0.409 106 T N -0.360 114.264 114.554 0.117 0.000 2.828 106 T HA 0.123 4.473 4.350 -0.001 0.000 0.290 106 T C 1.274 176.005 174.700 0.052 0.000 1.019 106 T CA -0.678 61.472 62.100 0.084 0.000 1.031 106 T CB 0.516 69.460 68.868 0.126 0.000 1.001 106 T HN 0.531 nan 8.240 nan 0.000 0.531 107 L N 0.107 121.360 121.223 0.050 0.000 2.131 107 L HA -0.054 4.285 4.340 -0.001 0.000 0.210 107 L C 3.057 180.073 176.870 0.242 0.000 1.092 107 L CA 1.680 56.571 54.840 0.085 0.000 0.759 107 L CB -0.591 41.529 42.059 0.102 0.000 0.903 107 L HN 0.889 nan 8.230 nan 0.000 0.435 108 E N 0.568 120.900 120.200 0.220 0.000 2.047 108 E HA -0.238 4.111 4.350 -0.001 0.000 0.191 108 E C 1.940 178.705 176.600 0.276 0.000 0.987 108 E CA 1.344 57.899 56.400 0.258 0.000 0.799 108 E CB 0.101 29.903 29.700 0.170 0.000 0.752 108 E HN 0.535 nan 8.360 nan 0.000 0.449 109 E N -0.453 119.875 120.200 0.214 0.000 2.150 109 E HA -0.211 4.139 4.350 -0.001 0.000 0.193 109 E C 1.872 178.571 176.600 0.166 0.000 0.985 109 E CA 0.954 57.492 56.400 0.230 0.000 0.814 109 E CB -0.264 29.604 29.700 0.281 0.000 0.752 109 E HN 0.365 nan 8.360 nan 0.000 0.466 110 Y N 0.127 120.379 120.300 -0.081 0.000 2.097 110 Y HA -0.259 4.290 4.550 -0.001 0.000 0.282 110 Y C 1.624 177.392 175.900 -0.220 0.000 1.152 110 Y CA 1.696 59.628 58.100 -0.280 0.000 1.136 110 Y CB -0.479 37.696 38.460 -0.475 0.000 0.975 110 Y HN 0.049 nan 8.280 nan 0.000 0.498 111 W N -1.325 119.985 121.300 0.017 0.000 2.402 111 W HA -0.148 4.511 4.660 -0.001 0.000 0.286 111 W C 2.258 178.739 176.519 -0.062 0.000 1.221 111 W CA 0.832 58.136 57.345 -0.069 0.000 1.257 111 W CB -0.940 28.588 29.460 0.114 0.000 1.120 111 W HN 0.297 nan 8.180 nan 0.000 0.551 112 W N 0.220 121.571 121.300 0.084 0.000 2.338 112 W HA -0.286 4.373 4.660 -0.001 0.000 0.304 112 W C 2.159 178.611 176.519 -0.112 0.000 1.212 112 W CA 2.113 59.467 57.345 0.014 0.000 1.264 112 W CB -0.806 28.684 29.460 0.051 0.000 1.142 112 W HN -0.239 nan 8.180 nan 0.000 0.512 113 C N -0.555 118.752 119.300 0.011 0.000 2.425 113 C HA -0.178 4.282 4.460 -0.001 0.000 0.277 113 C C 2.753 177.524 174.990 -0.365 0.000 1.280 113 C CA 1.170 60.065 59.018 -0.205 0.000 1.744 113 C CB -1.372 26.319 27.740 -0.082 0.000 1.989 113 C HN 0.258 nan 8.230 nan 0.000 0.491 114 V N 0.819 120.512 119.914 -0.369 0.000 2.261 114 V HA -0.252 3.867 4.120 -0.001 0.000 0.246 114 V C 2.477 178.463 176.094 -0.180 0.000 1.047 114 V CA 2.364 64.493 62.300 -0.286 0.000 1.015 114 V CB -0.813 30.869 31.823 -0.235 0.000 0.642 114 V HN 0.617 nan 8.190 nan 0.000 0.446 115 E N 0.237 120.349 120.200 -0.146 0.000 2.058 115 E HA -0.218 4.131 4.350 -0.001 0.000 0.194 115 E C 2.312 178.728 176.600 -0.306 0.000 0.997 115 E CA 1.721 58.079 56.400 -0.070 0.000 0.801 115 E CB -0.120 29.554 29.700 -0.043 0.000 0.746 115 E HN 0.592 nan 8.360 nan 0.000 0.450 116 S N 0.345 115.611 115.700 -0.724 0.000 2.382 116 S HA -0.152 4.318 4.470 -0.001 0.000 0.228 116 S C 2.008 176.150 174.600 -0.764 0.000 1.027 116 S CA 0.988 58.550 58.200 -1.063 0.000 0.991 116 S CB -0.215 61.746 63.200 -2.066 0.000 0.823 116 S HN 0.487 nan 8.310 nan 0.000 0.469 117 A N 1.025 123.551 122.820 -0.490 0.000 1.969 117 A HA 0.091 4.411 4.320 -0.001 0.000 0.218 117 A C 2.015 179.515 177.584 -0.140 0.000 1.169 117 A CA 0.955 52.888 52.037 -0.173 0.000 0.635 117 A CB -0.518 18.444 19.000 -0.062 0.000 0.810 117 A HN 0.460 nan 8.150 nan 0.000 0.445 118 L N -0.405 120.789 121.223 -0.048 0.000 2.395 118 L HA 0.004 4.344 4.340 -0.001 0.000 0.218 118 L C 0.269 177.256 176.870 0.196 0.000 1.130 118 L CA 0.418 55.355 54.840 0.163 0.000 0.826 118 L CB -0.148 42.084 42.059 0.290 0.000 0.941 118 L HN 0.150 nan 8.230 nan 0.000 0.451 119 T N -0.334 114.200 114.554 -0.033 0.000 2.727 119 T HA 0.123 4.472 4.350 -0.001 0.000 0.298 119 T C -0.811 173.834 174.700 -0.091 0.000 0.942 119 T CA -0.234 61.832 62.100 -0.057 0.000 0.997 119 T CB 0.065 68.822 68.868 -0.185 0.000 0.917 119 T HN 0.089 nan 8.240 nan 0.000 0.487 120 W N 3.694 124.957 121.300 -0.062 0.000 2.060 120 W HA 0.521 5.181 4.660 -0.001 0.000 0.347 120 W C 1.187 177.686 176.519 -0.034 0.000 0.831 120 W CA -0.146 57.183 57.345 -0.027 0.000 1.590 120 W CB -0.342 29.110 29.460 -0.013 0.000 1.737 120 W HN 1.161 nan 8.180 nan 0.000 0.329 121 G N 2.018 110.866 108.800 0.080 0.000 2.603 121 G HA2 -0.113 3.846 3.960 -0.001 0.000 0.245 121 G HA3 -0.113 3.846 3.960 -0.001 0.000 0.245 121 G C -0.689 174.216 174.900 0.008 0.000 1.195 121 G CA 0.195 45.326 45.100 0.051 0.000 0.953 121 G HN 0.484 nan 8.290 nan 0.000 0.566 122 D N -0.870 119.536 120.400 0.010 0.000 2.648 122 D HA 0.673 5.313 4.640 -0.001 0.000 0.244 122 D C 0.734 177.024 176.300 -0.016 0.000 1.244 122 D CA 1.366 55.353 54.000 -0.021 0.000 0.772 122 D CB 0.931 41.715 40.800 -0.026 0.000 1.379 122 D HN 2.331 nan 8.370 nan 0.000 0.428 123 G N 0.754 109.533 108.800 -0.035 0.000 2.496 123 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.243 123 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.243 123 G C -0.912 173.971 174.900 -0.027 0.000 1.176 123 G CA -0.067 45.016 45.100 -0.028 0.000 0.940 123 G HN 0.819 nan 8.290 nan 0.000 0.573 124 D N 2.429 122.819 120.400 -0.016 0.000 2.414 124 D HA 0.406 5.045 4.640 -0.001 0.000 0.242 124 D C 0.229 176.521 176.300 -0.012 0.000 1.129 124 D CA 1.205 55.196 54.000 -0.015 0.000 0.885 124 D CB 0.309 41.103 40.800 -0.009 0.000 1.198 124 D HN 0.572 nan 8.370 nan 0.000 0.437 125 D N 1.246 121.634 120.400 -0.019 0.000 3.082 125 D HA -0.197 4.442 4.640 -0.001 0.000 0.234 125 D C 0.331 176.628 176.300 -0.006 0.000 1.159 125 D CA 0.306 54.292 54.000 -0.024 0.000 0.875 125 D CB -1.013 39.771 40.800 -0.027 0.000 0.946 125 D HN 0.338 nan 8.370 nan 0.000 0.411 126 N N -0.083 118.611 118.700 -0.010 0.000 2.236 126 N HA 0.210 4.950 4.740 -0.001 0.000 0.196 126 N C 0.618 176.176 175.510 0.081 0.000 1.114 126 N CA 0.667 53.728 53.050 0.019 0.000 0.859 126 N CB 0.683 39.133 38.487 -0.061 0.000 0.982 126 N HN 0.423 nan 8.380 nan 0.000 0.493 127 G N -0.283 108.536 108.800 0.032 0.000 2.735 127 G HA2 0.521 4.481 3.960 -0.001 0.000 0.301 127 G HA3 0.521 4.481 3.960 -0.001 0.000 0.301 127 G C -2.855 171.936 174.900 -0.182 0.000 1.279 127 G CA -1.206 43.934 45.100 0.067 0.000 1.019 127 G HN -0.022 nan 8.290 nan 0.000 0.497 128 P HA 0.304 nan 4.420 nan 0.000 0.278 128 P C -0.507 176.619 177.300 -0.289 0.000 1.266 128 P CA -0.356 62.468 63.100 -0.459 0.000 0.807 128 P CB 2.248 33.916 31.700 -0.054 0.000 1.094 129 D N -0.373 119.860 120.400 -0.278 0.000 2.216 129 D HA 0.135 4.774 4.640 -0.001 0.000 0.208 129 D C 0.756 177.022 176.300 -0.058 0.000 0.960 129 D CA 1.565 55.512 54.000 -0.088 0.000 0.861 129 D CB 0.283 41.138 40.800 0.091 0.000 0.985 129 D HN 0.374 nan 8.370 nan 0.000 0.493 130 M N 0.129 119.679 119.600 -0.084 0.000 2.575 130 M HA 0.445 4.925 4.480 -0.001 0.000 0.284 130 M C -1.187 175.067 176.300 -0.077 0.000 1.253 130 M CA -0.593 54.665 55.300 -0.069 0.000 0.861 130 M CB 3.463 36.066 32.600 0.005 0.000 1.733 130 M HN -0.330 nan 8.290 nan 0.000 0.462 131 I N 1.255 121.773 120.570 -0.086 0.000 2.545 131 I HA 0.534 4.703 4.170 -0.001 0.000 0.292 131 I C -1.015 175.066 176.117 -0.059 0.000 1.040 131 I CA -1.119 60.135 61.300 -0.077 0.000 1.068 131 I CB 2.432 40.385 38.000 -0.078 0.000 1.251 131 I HN 0.305 nan 8.210 nan 0.000 0.424 132 V N 4.430 124.269 119.914 -0.126 0.000 2.313 132 V HA 0.371 4.491 4.120 -0.001 0.000 0.278 132 V C -0.565 175.424 176.094 -0.175 0.000 1.017 132 V CA -0.400 61.836 62.300 -0.107 0.000 0.823 132 V CB 1.300 33.074 31.823 -0.082 0.000 1.010 132 V HN 0.612 nan 8.190 nan 0.000 0.443 133 D N 2.746 123.107 120.400 -0.065 0.000 2.340 133 D HA 0.453 5.092 4.640 -0.001 0.000 0.243 133 D C -1.089 175.203 176.300 -0.014 0.000 0.988 133 D CA -0.303 53.661 54.000 -0.059 0.000 0.959 133 D CB 2.450 43.251 40.800 0.002 0.000 1.226 133 D HN 0.546 nan 8.370 nan 0.000 0.509 134 D N 0.280 120.663 120.400 -0.029 0.000 2.381 134 D HA 0.393 5.032 4.640 -0.001 0.000 0.245 134 D C 0.496 176.781 176.300 -0.024 0.000 1.297 134 D CA -0.196 53.799 54.000 -0.009 0.000 0.931 134 D CB 0.132 40.917 40.800 -0.023 0.000 1.334 134 D HN 0.617 nan 8.370 nan 0.000 0.535 135 G N 1.357 110.163 108.800 0.011 0.000 2.284 135 G HA2 -0.078 3.882 3.960 -0.001 0.000 0.201 135 G HA3 -0.078 3.882 3.960 -0.001 0.000 0.201 135 G C 1.036 176.005 174.900 0.115 0.000 0.998 135 G CA 0.354 45.479 45.100 0.041 0.000 0.651 135 G HN 1.385 nan 8.290 nan 0.000 0.489 136 G N -0.084 108.765 108.800 0.081 0.000 2.143 136 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.249 136 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.249 136 G C 0.695 175.667 174.900 0.120 0.000 0.981 136 G CA 1.160 46.313 45.100 0.089 0.000 0.665 136 G HN 0.616 nan 8.290 nan 0.000 0.528 137 D N 0.441 120.927 120.400 0.144 0.000 2.117 137 D HA 0.095 4.735 4.640 -0.001 0.000 0.197 137 D C 2.692 179.124 176.300 0.219 0.000 0.987 137 D CA 1.772 55.903 54.000 0.218 0.000 0.829 137 D CB -0.502 40.404 40.800 0.177 0.000 0.961 137 D HN 0.685 nan 8.370 nan 0.000 0.460 138 A N 0.050 122.932 122.820 0.104 0.000 1.902 138 A HA -0.151 4.169 4.320 -0.001 0.000 0.217 138 A C 2.344 180.012 177.584 0.140 0.000 1.181 138 A CA 2.068 54.154 52.037 0.082 0.000 0.623 138 A CB -0.892 18.106 19.000 -0.004 0.000 0.818 138 A HN 0.218 nan 8.150 nan 0.000 0.443 139 T N 0.110 114.770 114.554 0.177 0.000 2.788 139 T HA -0.122 4.228 4.350 -0.001 0.000 0.268 139 T C 1.819 176.685 174.700 0.277 0.000 1.044 139 T CA 1.453 63.731 62.100 0.296 0.000 1.139 139 T CB -0.342 68.666 68.868 0.234 0.000 0.867 139 T HN 0.325 nan 8.240 nan 0.000 0.454 140 L N 1.162 122.484 121.223 0.164 0.000 1.994 140 L HA 0.041 4.380 4.340 -0.001 0.000 0.208 140 L C 2.201 179.174 176.870 0.170 0.000 1.071 140 L CA 1.482 56.396 54.840 0.123 0.000 0.745 140 L CB -0.925 41.160 42.059 0.043 0.000 0.892 140 L HN 0.154 nan 8.230 nan 0.000 0.431 141 L N -1.034 120.289 121.223 0.166 0.000 2.043 141 L HA -0.197 4.143 4.340 -0.001 0.000 0.212 141 L C 2.344 178.972 176.870 -0.403 0.000 1.075 141 L CA 2.021 56.834 54.840 -0.044 0.000 0.752 141 L CB -0.713 41.280 42.059 -0.110 0.000 0.891 141 L HN 0.169 nan 8.230 nan 0.000 0.432 142 V N -0.951 118.838 119.914 -0.209 0.000 2.307 142 V HA -0.302 3.818 4.120 -0.001 0.000 0.245 142 V C 2.405 178.465 176.094 -0.057 0.000 1.045 142 V CA 2.034 64.250 62.300 -0.140 0.000 1.024 142 V CB -0.917 31.011 31.823 0.175 0.000 0.651 142 V HN 0.537 nan 8.190 nan 0.000 0.449 143 H N -0.033 119.039 119.070 0.003 0.000 2.357 143 H HA -0.048 4.507 4.556 -0.001 0.000 0.301 143 H C 2.328 177.653 175.328 -0.005 0.000 1.082 143 H CA 1.299 57.342 56.048 -0.008 0.000 1.342 143 H CB 0.004 29.740 29.762 -0.043 0.000 1.389 143 H HN 0.165 nan 8.280 nan 0.000 0.511 144 K N -0.104 120.372 120.400 0.128 0.000 2.103 144 K HA 0.011 4.330 4.320 -0.001 0.000 0.204 144 K C 2.360 179.030 176.600 0.116 0.000 1.052 144 K CA 0.908 57.288 56.287 0.156 0.000 0.945 144 K CB -0.532 32.159 32.500 0.317 0.000 0.722 144 K HN 0.413 nan 8.250 nan 0.000 0.443 145 G N 0.958 109.686 108.800 -0.120 0.000 2.421 145 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.216 145 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.216 145 G C 1.662 176.654 174.900 0.152 0.000 1.171 145 G CA 0.795 45.806 45.100 -0.149 0.000 0.775 145 G HN 0.121 nan 8.290 nan 0.000 0.543 146 V N 0.582 120.572 119.914 0.126 0.000 2.407 146 V HA -0.153 3.967 4.120 -0.001 0.000 0.248 146 V C 2.553 178.696 176.094 0.082 0.000 1.055 146 V CA 2.218 64.594 62.300 0.128 0.000 1.049 146 V CB -0.293 31.566 31.823 0.060 0.000 0.662 146 V HN 0.562 nan 8.190 nan 0.000 0.455 147 E N -0.664 119.559 120.200 0.040 0.000 2.047 147 E HA -0.223 4.127 4.350 -0.001 0.000 0.191 147 E C 2.147 178.709 176.600 -0.063 0.000 0.987 147 E CA 1.574 57.945 56.400 -0.048 0.000 0.799 147 E CB -0.222 29.397 29.700 -0.134 0.000 0.752 147 E HN 0.716 nan 8.360 nan 0.000 0.449 148 Y N 0.731 121.047 120.300 0.027 0.000 2.373 148 Y HA -0.081 4.468 4.550 -0.001 0.000 0.293 148 Y C 2.130 178.079 175.900 0.081 0.000 1.129 148 Y CA 1.104 59.225 58.100 0.034 0.000 1.226 148 Y CB 0.184 38.633 38.460 -0.018 0.000 1.000 148 Y HN 0.128 nan 8.280 nan 0.000 0.549 149 E N 0.144 120.485 120.200 0.234 0.000 2.150 149 E HA -0.216 4.134 4.350 -0.001 0.000 0.193 149 E C 2.000 178.713 176.600 0.188 0.000 0.985 149 E CA 1.005 57.532 56.400 0.212 0.000 0.814 149 E CB -0.003 29.810 29.700 0.188 0.000 0.752 149 E HN 0.350 nan 8.360 nan 0.000 0.466 150 K N 0.719 121.195 120.400 0.125 0.000 2.116 150 K HA -0.069 4.250 4.320 -0.001 0.000 0.203 150 K C 2.096 178.740 176.600 0.073 0.000 1.052 150 K CA 0.401 56.736 56.287 0.079 0.000 0.952 150 K CB 0.087 32.610 32.500 0.039 0.000 0.729 150 K HN 0.060 nan 8.250 nan 0.000 0.446 151 L N 0.893 122.165 121.223 0.082 0.000 2.131 151 L HA -0.167 4.172 4.340 -0.001 0.000 0.210 151 L C 1.908 178.854 176.870 0.127 0.000 1.092 151 L CA 1.744 56.629 54.840 0.074 0.000 0.759 151 L CB -0.684 41.409 42.059 0.057 0.000 0.903 151 L HN 0.318 nan 8.230 nan 0.000 0.435 152 Y N 0.723 121.061 120.300 0.063 0.000 2.337 152 Y HA -0.133 4.416 4.550 -0.001 0.000 0.293 152 Y C 2.480 178.400 175.900 0.034 0.000 1.123 152 Y CA 1.423 59.556 58.100 0.054 0.000 1.201 152 Y CB 0.030 38.528 38.460 0.063 0.000 1.011 152 Y HN 0.247 nan 8.280 nan 0.000 0.545 153 E N -0.030 120.184 120.200 0.024 0.000 2.511 153 E HA -0.107 4.243 4.350 -0.001 0.000 0.196 153 E C 0.870 177.422 176.600 -0.080 0.000 1.066 153 E CA 0.711 57.080 56.400 -0.052 0.000 0.871 153 E CB 0.222 29.947 29.700 0.042 0.000 0.863 153 E HN 0.706 nan 8.360 nan 0.000 0.520 154 E N -0.804 119.353 120.200 -0.073 0.000 2.444 154 E HA 0.058 4.407 4.350 -0.001 0.000 0.203 154 E C 1.139 177.697 176.600 -0.070 0.000 0.847 154 E CA -0.037 56.329 56.400 -0.057 0.000 1.142 154 E CB 0.512 30.198 29.700 -0.024 0.000 1.125 154 E HN -0.071 nan 8.360 nan 0.000 0.521 155 K N 0.622 120.984 120.400 -0.063 0.000 2.374 155 K HA 0.200 4.519 4.320 -0.001 0.000 0.202 155 K C -0.073 176.478 176.600 -0.081 0.000 1.040 155 K CA -0.105 56.151 56.287 -0.051 0.000 1.085 155 K CB 0.492 32.986 32.500 -0.010 0.000 0.873 155 K HN -0.005 nan 8.250 nan 0.000 0.539 156 N N 1.129 119.711 118.700 -0.196 0.000 2.721 156 N HA -0.178 4.561 4.740 -0.001 0.000 0.249 156 N C -1.106 174.401 175.510 -0.005 0.000 1.072 156 N CA 0.411 53.249 53.050 -0.354 0.000 0.710 156 N CB -1.208 37.113 38.487 -0.276 0.000 0.993 156 N HN 0.298 nan 8.380 nan 0.000 0.547 157 I N 0.585 121.231 120.570 0.127 0.000 2.392 157 I HA 0.340 4.509 4.170 -0.001 0.000 0.295 157 I C 0.413 176.715 176.117 0.309 0.000 0.985 157 I CA -0.761 60.656 61.300 0.194 0.000 1.221 157 I CB 1.198 39.273 38.000 0.125 0.000 1.366 157 I HN -0.041 nan 8.210 nan 0.000 0.467 158 L N 7.025 128.375 121.223 0.211 0.000 2.334 158 L HA 0.513 4.853 4.340 -0.001 0.000 0.272 158 L C -2.177 174.705 176.870 0.020 0.000 1.020 158 L CA -1.867 53.030 54.840 0.094 0.000 0.812 158 L CB 1.668 43.726 42.059 -0.002 0.000 1.264 158 L HN 0.369 nan 8.230 nan 0.000 0.439 159 P HA 0.042 nan 4.420 nan 0.000 0.269 159 P C -1.453 175.731 177.300 -0.194 0.000 1.252 159 P CA -0.307 62.603 63.100 -0.318 0.000 0.780 159 P CB 0.258 31.353 31.700 -1.008 0.000 0.829 160 D N 5.203 125.555 120.400 -0.080 0.000 2.295 160 D HA 0.091 4.730 4.640 -0.001 0.000 0.248 160 D C -1.825 174.440 176.300 -0.058 0.000 1.154 160 D CA -2.099 51.867 54.000 -0.056 0.000 0.857 160 D CB 1.370 42.163 40.800 -0.012 0.000 1.117 160 D HN 0.225 nan 8.370 nan 0.000 0.468 161 P HA -0.092 nan 4.420 nan 0.000 0.239 161 P C 0.652 177.941 177.300 -0.019 0.000 1.184 161 P CA 0.436 63.507 63.100 -0.049 0.000 0.760 161 P CB 0.500 32.168 31.700 -0.053 0.000 0.884 162 E N 1.883 122.075 120.200 -0.013 0.000 2.046 162 E HA -0.147 4.202 4.350 -0.001 0.000 0.190 162 E C 1.507 178.110 176.600 0.005 0.000 0.982 162 E CA 1.091 57.490 56.400 -0.001 0.000 0.800 162 E CB -0.637 29.064 29.700 0.002 0.000 0.756 162 E HN 0.571 nan 8.360 nan 0.000 0.449 163 K N 1.315 121.720 120.400 0.008 0.000 2.706 163 K HA 0.327 4.646 4.320 -0.001 0.000 0.217 163 K C 0.226 176.835 176.600 0.015 0.000 1.019 163 K CA 0.119 56.416 56.287 0.016 0.000 1.181 163 K CB -0.052 32.464 32.500 0.027 0.000 0.940 163 K HN -0.112 nan 8.250 nan 0.000 0.491 164 A N 2.062 124.888 122.820 0.009 0.000 2.476 164 A HA 0.065 4.385 4.320 -0.001 0.000 0.275 164 A C 0.169 177.759 177.584 0.009 0.000 1.133 164 A CA -0.401 51.642 52.037 0.010 0.000 0.797 164 A CB 0.099 19.105 19.000 0.009 0.000 1.081 164 A HN 0.459 nan 8.150 nan 0.000 0.510 165 K N 1.361 121.764 120.400 0.005 0.000 2.522 165 K HA 0.064 4.383 4.320 -0.001 0.000 0.194 165 K C 0.078 176.674 176.600 -0.007 0.000 1.026 165 K CA 0.310 56.597 56.287 0.000 0.000 1.119 165 K CB -0.099 32.400 32.500 -0.003 0.000 0.856 165 K HN 0.770 nan 8.250 nan 0.000 0.513 166 N N -0.626 118.072 118.700 -0.004 0.000 3.171 166 N HA -0.043 4.697 4.740 -0.001 0.000 0.239 166 N C -0.140 175.376 175.510 0.011 0.000 1.275 166 N CA -0.312 52.734 53.050 -0.007 0.000 0.920 166 N CB 1.003 39.470 38.487 -0.033 0.000 1.554 166 N HN -0.249 nan 8.380 nan 0.000 0.504 167 E N 0.701 120.911 120.200 0.017 0.000 2.077 167 E HA -0.174 4.175 4.350 -0.001 0.000 0.193 167 E C 0.774 177.417 176.600 0.071 0.000 0.989 167 E CA 1.143 57.567 56.400 0.039 0.000 0.800 167 E CB 0.120 29.841 29.700 0.036 0.000 0.746 167 E HN 0.707 nan 8.360 nan 0.000 0.452 168 E N 0.609 120.850 120.200 0.068 0.000 2.150 168 E HA -0.196 4.154 4.350 -0.001 0.000 0.193 168 E C 1.881 178.608 176.600 0.211 0.000 0.985 168 E CA 0.899 57.398 56.400 0.166 0.000 0.814 168 E CB -0.001 29.748 29.700 0.082 0.000 0.752 168 E HN 0.322 nan 8.360 nan 0.000 0.466 169 E N 0.487 120.734 120.200 0.077 0.000 2.208 169 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 169 E C 2.275 178.908 176.600 0.055 0.000 0.988 169 E CA 0.369 56.794 56.400 0.041 0.000 0.828 169 E CB 0.003 29.698 29.700 -0.009 0.000 0.763 169 E HN 0.097 nan 8.360 nan 0.000 0.478 170 R N -0.006 120.522 120.500 0.048 0.000 2.073 170 R HA -0.130 4.210 4.340 -0.001 0.000 0.234 170 R C 2.216 178.524 176.300 0.014 0.000 1.134 170 R CA 1.776 57.889 56.100 0.023 0.000 0.952 170 R CB -0.491 29.828 30.300 0.031 0.000 0.850 170 R HN 0.291 nan 8.270 nan 0.000 0.433 171 C N 0.350 119.698 119.300 0.080 0.000 2.435 171 C HA -0.072 4.387 4.460 -0.001 0.000 0.279 171 C C 2.367 177.313 174.990 -0.073 0.000 1.321 171 C CA 0.267 59.347 59.018 0.103 0.000 1.752 171 C CB -1.260 26.666 27.740 0.310 0.000 1.959 171 C HN 0.567 nan 8.230 nan 0.000 0.500 172 F N 1.498 121.180 119.950 -0.446 0.000 2.102 172 F HA -0.079 4.447 4.527 -0.002 0.000 0.298 172 F C 2.070 177.540 175.800 -0.549 0.000 1.105 172 F CA 1.585 59.028 58.000 -0.928 0.000 1.239 172 F CB -0.487 37.900 39.000 -1.023 0.000 0.991 172 F HN 0.094 nan 8.300 nan 0.000 0.474 173 L N -0.674 120.332 121.223 -0.361 0.000 2.093 173 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 173 L C 2.310 178.956 176.870 -0.374 0.000 1.085 173 L CA 1.599 56.183 54.840 -0.427 0.000 0.755 173 L CB -1.134 40.789 42.059 -0.225 0.000 0.904 173 L HN 0.128 nan 8.230 nan 0.000 0.435 174 T N 0.389 114.800 114.554 -0.239 0.000 2.746 174 T HA -0.215 4.134 4.350 -0.001 0.000 0.267 174 T C 1.868 176.457 174.700 -0.185 0.000 1.039 174 T CA 1.527 63.529 62.100 -0.162 0.000 1.142 174 T CB -0.275 68.550 68.868 -0.070 0.000 0.866 174 T HN 0.190 nan 8.240 nan 0.000 0.444 175 L N 0.628 121.713 121.223 -0.229 0.000 2.046 175 L HA 0.021 4.361 4.340 -0.001 0.000 0.208 175 L C 2.171 178.888 176.870 -0.254 0.000 1.077 175 L CA 1.558 56.283 54.840 -0.191 0.000 0.747 175 L CB -0.443 41.496 42.059 -0.199 0.000 0.896 175 L HN 0.230 nan 8.230 nan 0.000 0.432 176 L N -0.461 120.483 121.223 -0.466 0.000 2.093 176 L HA -0.207 4.132 4.340 -0.001 0.000 0.208 176 L C 2.676 179.371 176.870 -0.292 0.000 1.085 176 L CA 1.569 56.150 54.840 -0.432 0.000 0.755 176 L CB -0.572 41.054 42.059 -0.723 0.000 0.904 176 L HN 0.344 nan 8.230 nan 0.000 0.435 177 K N 0.728 120.941 120.400 -0.312 0.000 2.002 177 K HA -0.200 4.119 4.320 -0.001 0.000 0.209 177 K C 1.738 178.232 176.600 -0.176 0.000 1.048 177 K CA 1.994 58.136 56.287 -0.243 0.000 0.930 177 K CB -0.117 32.258 32.500 -0.209 0.000 0.714 177 K HN 0.390 nan 8.250 nan 0.000 0.438 178 N N -0.008 118.613 118.700 -0.133 0.000 2.166 178 N HA -0.156 4.583 4.740 -0.001 0.000 0.186 178 N C 1.863 177.328 175.510 -0.076 0.000 1.019 178 N CA 1.067 54.066 53.050 -0.086 0.000 0.856 178 N CB -0.073 38.386 38.487 -0.046 0.000 0.993 178 N HN 0.168 nan 8.380 nan 0.000 0.426 179 S N 1.100 116.766 115.700 -0.057 0.000 2.368 179 S HA -0.044 4.426 4.470 -0.001 0.000 0.225 179 S C 1.847 176.411 174.600 -0.060 0.000 1.030 179 S CA 0.832 59.025 58.200 -0.011 0.000 0.999 179 S CB -0.184 63.115 63.200 0.166 0.000 0.844 179 S HN 0.218 nan 8.310 nan 0.000 0.459 180 I N 1.092 121.605 120.570 -0.095 0.000 2.439 180 I HA -0.067 4.102 4.170 -0.001 0.000 0.251 180 I C 1.790 177.758 176.117 -0.249 0.000 1.139 180 I CA 0.829 62.026 61.300 -0.171 0.000 1.438 180 I CB -0.232 37.618 38.000 -0.250 0.000 1.085 180 I HN 0.280 nan 8.210 nan 0.000 0.427 181 L N 0.608 121.699 121.223 -0.220 0.000 2.552 181 L HA -0.094 4.246 4.340 -0.001 0.000 0.227 181 L C 2.335 179.142 176.870 -0.104 0.000 1.146 181 L CA 0.813 55.546 54.840 -0.180 0.000 0.858 181 L CB -0.320 41.657 42.059 -0.136 0.000 0.969 181 L HN 0.249 nan 8.230 nan 0.000 0.451 182 K N -0.074 120.268 120.400 -0.097 0.000 2.329 182 K HA 0.031 4.351 4.320 -0.001 0.000 0.198 182 K C 0.299 176.854 176.600 -0.075 0.000 1.085 182 K CA 0.310 56.554 56.287 -0.072 0.000 0.961 182 K CB 0.648 33.107 32.500 -0.068 0.000 0.971 182 K HN 0.102 nan 8.250 nan 0.000 0.502 183 N N 0.529 119.172 118.700 -0.096 0.000 2.932 183 N HA 0.129 4.869 4.740 -0.001 0.000 0.242 183 N C -2.661 172.795 175.510 -0.089 0.000 1.351 183 N CA -1.388 51.606 53.050 -0.093 0.000 0.785 183 N CB 1.900 40.308 38.487 -0.131 0.000 1.501 183 N HN -0.104 nan 8.380 nan 0.000 0.584 184 P HA 0.024 nan 4.420 nan 0.000 0.244 184 P C 0.006 177.333 177.300 0.045 0.000 1.211 184 P CA 0.594 63.700 63.100 0.011 0.000 0.760 184 P CB 0.350 32.113 31.700 0.104 0.000 0.961 185 K N -0.665 119.730 120.400 -0.009 0.000 2.553 185 K HA 0.127 4.447 4.320 -0.001 0.000 0.205 185 K C 1.541 178.099 176.600 -0.071 0.000 1.168 185 K CA -0.179 56.106 56.287 -0.003 0.000 1.043 185 K CB 0.464 32.966 32.500 0.004 0.000 0.967 185 K HN 0.088 nan 8.250 nan 0.000 0.585 186 K N 0.527 120.814 120.400 -0.188 0.000 1.987 186 K HA -0.168 4.151 4.320 -0.001 0.000 0.216 186 K C 1.291 177.655 176.600 -0.393 0.000 1.051 186 K CA 2.063 58.111 56.287 -0.399 0.000 0.942 186 K CB -0.121 31.954 32.500 -0.708 0.000 0.722 186 K HN 0.116 nan 8.250 nan 0.000 0.444 187 W N 0.688 121.986 121.300 -0.004 0.000 2.402 187 W HA -0.082 4.577 4.660 -0.001 0.000 0.286 187 W C 2.365 178.893 176.519 0.014 0.000 1.221 187 W CA 0.940 58.290 57.345 0.008 0.000 1.257 187 W CB -0.529 28.936 29.460 0.008 0.000 1.120 187 W HN 0.162 nan 8.180 nan 0.000 0.551 188 T N 0.278 114.942 114.554 0.184 0.000 2.746 188 T HA -0.212 4.137 4.350 -0.001 0.000 0.267 188 T C 1.274 176.021 174.700 0.078 0.000 1.039 188 T CA 1.833 64.004 62.100 0.119 0.000 1.142 188 T CB -0.539 68.380 68.868 0.085 0.000 0.866 188 T HN 0.288 nan 8.240 nan 0.000 0.444 189 N N 0.386 119.107 118.700 0.035 0.000 2.216 189 N HA 0.090 4.829 4.740 -0.001 0.000 0.183 189 N C 1.829 177.351 175.510 0.020 0.000 1.017 189 N CA 0.670 53.727 53.050 0.011 0.000 0.861 189 N CB -0.121 38.351 38.487 -0.025 0.000 0.986 189 N HN 0.292 nan 8.380 nan 0.000 0.428 190 I N 1.137 121.725 120.570 0.029 0.000 2.202 190 I HA -0.204 3.965 4.170 -0.001 0.000 0.242 190 I C 2.436 178.609 176.117 0.094 0.000 1.091 190 I CA 0.614 61.946 61.300 0.053 0.000 1.368 190 I CB -0.283 37.771 38.000 0.090 0.000 1.058 190 I HN 0.142 nan 8.210 nan 0.000 0.410 191 A N 0.647 123.564 122.820 0.161 0.000 2.024 191 A HA -0.234 4.086 4.320 -0.001 0.000 0.220 191 A C 2.229 179.911 177.584 0.163 0.000 1.164 191 A CA 1.578 53.737 52.037 0.204 0.000 0.643 191 A CB -0.468 18.650 19.000 0.197 0.000 0.806 191 A HN 0.357 nan 8.150 nan 0.000 0.451 192 K N -0.650 119.810 120.400 0.099 0.000 2.288 192 K HA -0.053 4.267 4.320 -0.001 0.000 0.201 192 K C 1.066 177.694 176.600 0.046 0.000 1.048 192 K CA 0.933 57.265 56.287 0.074 0.000 0.956 192 K CB 0.021 32.550 32.500 0.048 0.000 0.746 192 K HN 0.241 nan 8.250 nan 0.000 0.461 193 K N 0.513 120.924 120.400 0.018 0.000 2.367 193 K HA 0.179 4.498 4.320 -0.001 0.000 0.194 193 K C 0.621 177.193 176.600 -0.047 0.000 1.027 193 K CA 0.121 56.399 56.287 -0.015 0.000 1.075 193 K CB 0.389 32.869 32.500 -0.032 0.000 0.845 193 K HN 0.125 nan 8.250 nan 0.000 0.529 194 I N 2.809 123.330 120.570 -0.081 0.000 2.436 194 I HA -0.050 4.119 4.170 -0.001 0.000 0.289 194 I C 1.518 177.548 176.117 -0.145 0.000 1.083 194 I CA -0.232 60.932 61.300 -0.227 0.000 1.372 194 I CB 0.488 38.116 38.000 -0.620 0.000 1.408 194 I HN -0.128 nan 8.210 nan 0.000 0.516 195 I N 4.953 125.472 120.570 -0.084 0.000 2.226 195 I HA -0.015 4.155 4.170 -0.001 0.000 0.245 195 I C 1.207 177.338 176.117 0.024 0.000 1.100 195 I CA 1.005 62.307 61.300 0.002 0.000 1.374 195 I CB -1.339 36.693 38.000 0.054 0.000 1.057 195 I HN 0.764 nan 8.210 nan 0.000 0.413 196 G N -0.623 108.137 108.800 -0.066 0.000 2.322 196 G HA2 0.410 4.369 3.960 -0.001 0.000 0.295 196 G HA3 0.410 4.369 3.960 -0.001 0.000 0.295 196 G C -1.878 172.999 174.900 -0.038 0.000 1.369 196 G CA -0.129 44.985 45.100 0.024 0.000 0.821 196 G HN -0.038 nan 8.290 nan 0.000 0.536 197 V N -0.295 119.689 119.914 0.116 0.000 3.040 197 V HA 0.900 5.020 4.120 -0.001 0.000 0.312 197 V C -0.529 175.618 176.094 0.089 0.000 1.115 197 V CA 0.011 62.369 62.300 0.097 0.000 0.998 197 V CB 2.341 34.303 31.823 0.233 0.000 1.042 197 V HN 1.832 nan 8.190 nan 0.000 0.433 198 S N 3.554 119.291 115.700 0.062 0.000 2.659 198 S HA 0.630 5.100 4.470 -0.001 0.000 0.312 198 S C -0.854 173.784 174.600 0.063 0.000 1.114 198 S CA -0.681 57.554 58.200 0.059 0.000 1.063 198 S CB 1.560 64.793 63.200 0.055 0.000 0.996 198 S HN 0.711 nan 8.310 nan 0.000 0.478 199 E N 1.599 121.837 120.200 0.062 0.000 2.259 199 E HA 0.244 4.594 4.350 -0.001 0.000 0.281 199 E C 0.636 177.272 176.600 0.060 0.000 1.027 199 E CA -0.321 56.112 56.400 0.055 0.000 0.838 199 E CB 1.715 31.441 29.700 0.042 0.000 1.066 199 E HN 0.917 nan 8.360 nan 0.000 0.401 200 E N 2.047 122.289 120.200 0.069 0.000 2.166 200 E HA 0.001 4.350 4.350 -0.001 0.000 0.192 200 E C 0.290 176.926 176.600 0.060 0.000 0.967 200 E CA 0.581 57.034 56.400 0.089 0.000 0.840 200 E CB 0.357 30.138 29.700 0.136 0.000 0.795 200 E HN 0.331 nan 8.360 nan 0.000 0.470 201 T N -1.363 113.213 114.554 0.038 0.000 2.950 201 T HA 0.236 4.585 4.350 -0.001 0.000 0.288 201 T C 0.768 175.462 174.700 -0.010 0.000 1.035 201 T CA -0.070 62.038 62.100 0.012 0.000 1.028 201 T CB 1.499 70.368 68.868 0.002 0.000 1.109 201 T HN 0.065 nan 8.240 nan 0.000 0.514 202 T N 1.829 116.367 114.554 -0.027 0.000 2.759 202 T HA -0.110 4.239 4.350 -0.001 0.000 0.269 202 T C 2.005 176.673 174.700 -0.053 0.000 1.042 202 T CA 1.984 64.059 62.100 -0.042 0.000 1.140 202 T CB -0.440 68.395 68.868 -0.054 0.000 0.864 202 T HN 0.663 nan 8.240 nan 0.000 0.455 203 T N 1.073 115.586 114.554 -0.069 0.000 2.746 203 T HA -0.012 4.337 4.350 -0.001 0.000 0.267 203 T C 2.297 176.991 174.700 -0.010 0.000 1.039 203 T CA 1.317 63.374 62.100 -0.070 0.000 1.142 203 T CB -0.783 68.015 68.868 -0.117 0.000 0.866 203 T HN 0.538 nan 8.240 nan 0.000 0.444 204 G N 0.701 109.501 108.800 0.000 0.000 2.422 204 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.218 204 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.218 204 G C 1.657 176.559 174.900 0.003 0.000 1.140 204 G CA 0.709 45.822 45.100 0.022 0.000 0.775 204 G HN 0.442 nan 8.290 nan 0.000 0.545 205 V N 1.010 120.920 119.914 -0.007 0.000 2.427 205 V HA -0.045 4.074 4.120 -0.001 0.000 0.248 205 V C 2.614 178.691 176.094 -0.028 0.000 1.051 205 V CA 1.001 63.292 62.300 -0.015 0.000 1.048 205 V CB -0.281 31.533 31.823 -0.014 0.000 0.666 205 V HN 0.321 nan 8.190 nan 0.000 0.456 206 L N 0.297 121.501 121.223 -0.031 0.000 2.083 206 L HA -0.147 4.193 4.340 -0.001 0.000 0.209 206 L C 2.628 179.476 176.870 -0.036 0.000 1.083 206 L CA 1.963 56.781 54.840 -0.037 0.000 0.752 206 L CB -0.708 41.324 42.059 -0.045 0.000 0.899 206 L HN 0.303 nan 8.230 nan 0.000 0.433 207 R N -0.659 119.825 120.500 -0.027 0.000 2.066 207 R HA -0.132 4.208 4.340 -0.001 0.000 0.232 207 R C 2.354 178.606 176.300 -0.080 0.000 1.131 207 R CA 1.207 57.282 56.100 -0.041 0.000 0.955 207 R CB -0.227 30.061 30.300 -0.019 0.000 0.851 207 R HN 0.356 nan 8.270 nan 0.000 0.432 208 L N 0.730 121.909 121.223 -0.074 0.000 2.046 208 L HA -0.206 4.133 4.340 -0.001 0.000 0.208 208 L C 2.301 179.117 176.870 -0.090 0.000 1.077 208 L CA 1.517 56.298 54.840 -0.099 0.000 0.747 208 L CB -0.354 41.669 42.059 -0.058 0.000 0.896 208 L HN 0.161 nan 8.230 nan 0.000 0.432 209 K N 0.084 120.445 120.400 -0.066 0.000 2.097 209 K HA -0.177 4.142 4.320 -0.001 0.000 0.206 209 K C 2.124 178.686 176.600 -0.063 0.000 1.049 209 K CA 1.243 57.493 56.287 -0.061 0.000 0.933 209 K CB -0.038 32.433 32.500 -0.049 0.000 0.717 209 K HN 0.273 nan 8.250 nan 0.000 0.442 210 K N 0.272 120.634 120.400 -0.064 0.000 2.097 210 K HA -0.022 4.297 4.320 -0.001 0.000 0.205 210 K C 2.120 178.676 176.600 -0.073 0.000 1.050 210 K CA 1.131 57.382 56.287 -0.060 0.000 0.938 210 K CB 0.003 32.471 32.500 -0.053 0.000 0.718 210 K HN 0.150 nan 8.250 nan 0.000 0.442 211 M N 0.555 120.094 119.600 -0.103 0.000 2.156 211 M HA -0.148 4.332 4.480 -0.001 0.000 0.264 211 M C 1.805 178.048 176.300 -0.095 0.000 1.067 211 M CA 1.387 56.613 55.300 -0.123 0.000 1.131 211 M CB -0.256 32.207 32.600 -0.228 0.000 1.368 211 M HN 0.047 nan 8.290 nan 0.000 0.416 212 D N 0.652 120.996 120.400 -0.093 0.000 2.178 212 D HA -0.158 4.481 4.640 -0.001 0.000 0.202 212 D C 1.884 178.149 176.300 -0.058 0.000 0.974 212 D CA 1.207 55.163 54.000 -0.073 0.000 0.841 212 D CB 0.033 40.786 40.800 -0.078 0.000 0.953 212 D HN 0.169 nan 8.370 nan 0.000 0.478 213 K N -0.353 120.013 120.400 -0.056 0.000 2.148 213 K HA -0.062 4.257 4.320 -0.001 0.000 0.204 213 K C 1.429 178.006 176.600 -0.038 0.000 1.050 213 K CA 0.925 57.185 56.287 -0.045 0.000 0.942 213 K CB 0.105 32.580 32.500 -0.042 0.000 0.724 213 K HN 0.211 nan 8.250 nan 0.000 0.446 214 Q N 0.477 120.253 119.800 -0.041 0.000 2.222 214 Q HA 0.109 4.448 4.340 -0.001 0.000 0.206 214 Q C -0.755 175.227 176.000 -0.029 0.000 0.877 214 Q CA -0.267 55.515 55.803 -0.034 0.000 0.958 214 Q CB 0.545 29.262 28.738 -0.036 0.000 1.075 214 Q HN 0.278 nan 8.270 nan 0.000 0.483 215 N N 1.645 120.327 118.700 -0.031 0.000 2.705 215 N HA -0.206 4.534 4.740 -0.001 0.000 0.255 215 N C -0.272 175.228 175.510 -0.016 0.000 1.008 215 N CA 0.961 53.998 53.050 -0.022 0.000 0.742 215 N CB -0.699 37.780 38.487 -0.014 0.000 0.906 215 N HN 0.565 nan 8.380 nan 0.000 0.541 216 E N -0.316 119.870 120.200 -0.023 0.000 2.473 216 E HA 0.183 4.533 4.350 -0.001 0.000 0.204 216 E C 0.506 177.135 176.600 0.049 0.000 0.994 216 E CA -0.204 56.199 56.400 0.005 0.000 0.945 216 E CB 0.506 30.199 29.700 -0.010 0.000 0.990 216 E HN 0.357 nan 8.360 nan 0.000 0.493 217 L N 2.137 123.355 121.223 -0.010 0.000 2.513 217 L HA -0.010 4.330 4.340 -0.001 0.000 0.272 217 L C 1.094 177.948 176.870 -0.026 0.000 1.187 217 L CA 0.137 54.978 54.840 0.001 0.000 0.895 217 L CB 0.554 42.570 42.059 -0.071 0.000 1.147 217 L HN 0.184 nan 8.230 nan 0.000 0.483 218 L N 4.805 125.927 121.223 -0.169 0.000 2.477 218 L HA 0.121 4.461 4.340 -0.001 0.000 0.220 218 L C -0.058 176.780 176.870 -0.053 0.000 1.106 218 L CA 0.232 54.941 54.840 -0.219 0.000 0.851 218 L CB -0.101 41.743 42.059 -0.358 0.000 0.994 218 L HN 0.510 nan 8.230 nan 0.000 0.462 219 F N -4.370 115.653 119.950 0.121 0.000 2.745 219 F HA 0.466 4.992 4.527 -0.001 0.000 0.316 219 F C -0.079 175.795 175.800 0.122 0.000 1.155 219 F CA -1.485 56.577 58.000 0.104 0.000 0.937 219 F CB 0.056 39.103 39.000 0.079 0.000 1.361 219 F HN -0.449 nan 8.300 nan 0.000 0.472 220 T N 1.557 116.351 114.554 0.400 0.000 2.928 220 T HA 0.516 4.865 4.350 -0.001 0.000 0.305 220 T C -0.126 174.741 174.700 0.278 0.000 1.035 220 T CA 0.624 62.892 62.100 0.281 0.000 1.145 220 T CB 0.408 69.358 68.868 0.137 0.000 0.963 220 T HN 0.919 nan 8.240 nan 0.000 0.545 221 A N 3.715 126.656 122.820 0.202 0.000 2.343 221 A HA 0.709 5.028 4.320 -0.001 0.000 0.308 221 A C -0.447 177.194 177.584 0.095 0.000 1.092 221 A CA -0.762 51.366 52.037 0.151 0.000 0.751 221 A CB 0.837 19.903 19.000 0.111 0.000 1.203 221 A HN 0.842 nan 8.150 nan 0.000 0.452 222 I N 2.564 123.162 120.570 0.048 0.000 2.339 222 I HA 0.183 4.353 4.170 -0.001 0.000 0.290 222 I C 0.010 176.156 176.117 0.048 0.000 0.994 222 I CA -0.728 60.590 61.300 0.029 0.000 1.191 222 I CB 1.572 39.556 38.000 -0.027 0.000 1.343 222 I HN 0.664 nan 8.210 nan 0.000 0.458 223 N N 6.460 125.191 118.700 0.052 0.000 2.549 223 N HA 0.067 4.807 4.740 -0.001 0.000 0.267 223 N C 0.613 176.148 175.510 0.041 0.000 1.182 223 N CA 0.105 53.178 53.050 0.039 0.000 1.019 223 N CB 0.955 39.458 38.487 0.027 0.000 1.380 223 N HN 0.417 nan 8.380 nan 0.000 0.505 224 V N 2.767 122.709 119.914 0.047 0.000 2.591 224 V HA -0.121 3.999 4.120 -0.001 0.000 0.249 224 V C 2.337 178.452 176.094 0.035 0.000 1.053 224 V CA 1.015 63.347 62.300 0.054 0.000 1.068 224 V CB -0.596 31.275 31.823 0.081 0.000 0.689 224 V HN 0.702 nan 8.190 nan 0.000 0.462 225 N N 0.745 119.460 118.700 0.026 0.000 2.166 225 N HA -0.188 4.551 4.740 -0.001 0.000 0.186 225 N C 1.148 176.646 175.510 -0.019 0.000 1.019 225 N CA 1.597 54.650 53.050 0.006 0.000 0.856 225 N CB -0.054 38.435 38.487 0.004 0.000 0.993 225 N HN 0.391 nan 8.380 nan 0.000 0.426 226 D N 0.663 121.055 120.400 -0.013 0.000 2.363 226 D HA 0.102 4.742 4.640 -0.001 0.000 0.226 226 D C 0.014 176.294 176.300 -0.032 0.000 1.020 226 D CA 0.058 54.044 54.000 -0.023 0.000 0.892 226 D CB -0.116 40.678 40.800 -0.010 0.000 0.900 226 D HN 0.306 nan 8.370 nan 0.000 0.531 227 A N 0.162 122.960 122.820 -0.037 0.000 2.450 227 A HA 0.189 4.509 4.320 -0.001 0.000 0.255 227 A C 1.725 179.224 177.584 -0.143 0.000 1.096 227 A CA -0.434 51.568 52.037 -0.059 0.000 0.778 227 A CB 0.650 19.630 19.000 -0.032 0.000 1.031 227 A HN 0.017 nan 8.150 nan 0.000 0.494 228 V N 2.746 122.548 119.914 -0.186 0.000 2.250 228 V HA -0.291 3.829 4.120 -0.001 0.000 0.250 228 V C 2.660 178.408 176.094 -0.577 0.000 1.060 228 V CA 2.830 64.922 62.300 -0.347 0.000 1.030 228 V CB -1.462 30.080 31.823 -0.468 0.000 0.643 228 V HN 1.080 nan 8.190 nan 0.000 0.445 229 T N -2.821 111.389 114.554 -0.574 0.000 3.320 229 T HA -0.057 4.292 4.350 -0.001 0.000 0.258 229 T C 1.372 175.775 174.700 -0.495 0.000 1.176 229 T CA 0.967 62.571 62.100 -0.827 0.000 1.037 229 T CB 0.045 68.730 68.868 -0.304 0.000 0.958 229 T HN 0.395 nan 8.240 nan 0.000 0.545 230 K N 1.218 121.418 120.400 -0.335 0.000 2.431 230 K HA 0.076 4.396 4.320 -0.001 0.000 0.213 230 K C 2.358 178.865 176.600 -0.154 0.000 1.258 230 K CA 0.923 57.123 56.287 -0.146 0.000 0.845 230 K CB -0.260 32.206 32.500 -0.056 0.000 1.498 230 K HN 0.528 nan 8.250 nan 0.000 0.451 231 Q N 0.524 120.226 119.800 -0.164 0.000 2.167 231 Q HA -0.047 4.292 4.340 -0.001 0.000 0.202 231 Q C 1.333 177.218 176.000 -0.192 0.000 0.970 231 Q CA 1.120 56.838 55.803 -0.141 0.000 0.855 231 Q CB 0.045 28.715 28.738 -0.113 0.000 0.911 231 Q HN -0.060 nan 8.270 nan 0.000 0.438 232 K N -0.342 119.892 120.400 -0.278 0.000 2.361 232 K HA 0.052 4.372 4.320 -0.001 0.000 0.196 232 K C 1.334 177.827 176.600 -0.178 0.000 1.039 232 K CA 0.791 56.918 56.287 -0.266 0.000 1.001 232 K CB 0.193 32.515 32.500 -0.296 0.000 0.795 232 K HN 0.502 nan 8.250 nan 0.000 0.495 233 Y N -0.248 119.857 120.300 -0.324 0.000 2.439 233 Y HA -0.036 4.513 4.550 -0.001 0.000 0.281 233 Y C 2.311 178.083 175.900 -0.214 0.000 1.145 233 Y CA -0.310 57.624 58.100 -0.276 0.000 1.252 233 Y CB 0.061 38.281 38.460 -0.400 0.000 1.271 233 Y HN -0.008 nan 8.280 nan 0.000 0.516 234 D N 1.157 121.578 120.400 0.035 0.000 2.088 234 D HA -0.210 4.430 4.640 -0.001 0.000 0.191 234 D C 1.174 177.440 176.300 -0.057 0.000 0.992 234 D CA 1.725 55.739 54.000 0.023 0.000 0.831 234 D CB -0.452 40.397 40.800 0.082 0.000 0.973 234 D HN 0.382 nan 8.370 nan 0.000 0.447 235 N N -0.436 118.235 118.700 -0.049 0.000 2.289 235 N HA -0.123 4.617 4.740 -0.001 0.000 0.184 235 N C 1.904 177.325 175.510 -0.147 0.000 1.016 235 N CA 0.735 53.752 53.050 -0.055 0.000 0.872 235 N CB 0.435 38.879 38.487 -0.071 0.000 0.973 235 N HN 0.134 nan 8.380 nan 0.000 0.433 236 V N 0.157 119.909 119.914 -0.270 0.000 2.398 236 V HA -0.107 4.012 4.120 -0.001 0.000 0.236 236 V C 1.533 177.450 176.094 -0.295 0.000 1.054 236 V CA 1.023 63.102 62.300 -0.368 0.000 1.060 236 V CB -0.855 30.584 31.823 -0.639 0.000 0.707 236 V HN 0.197 nan 8.190 nan 0.000 0.480 237 Y N 1.413 121.657 120.300 -0.094 0.000 2.293 237 Y HA -0.039 4.510 4.550 -0.001 0.000 0.291 237 Y C 2.541 178.337 175.900 -0.174 0.000 1.137 237 Y CA 0.822 58.859 58.100 -0.105 0.000 1.202 237 Y CB -0.732 37.665 38.460 -0.105 0.000 0.990 237 Y HN 0.339 nan 8.280 nan 0.000 0.537 238 G N -0.629 108.023 108.800 -0.248 0.000 2.404 238 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.215 238 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.215 238 G C 1.532 176.084 174.900 -0.580 0.000 1.174 238 G CA 1.229 45.852 45.100 -0.795 0.000 0.780 238 G HN 0.449 nan 8.290 nan 0.000 0.537 239 C N -0.017 119.101 119.300 -0.304 0.000 2.446 239 C HA 0.131 4.590 4.460 -0.001 0.000 0.279 239 C C 2.754 177.747 174.990 0.006 0.000 1.366 239 C CA 0.552 59.563 59.018 -0.011 0.000 1.763 239 C CB -0.780 26.972 27.740 0.019 0.000 1.929 239 C HN 0.544 nan 8.230 nan 0.000 0.509 240 R N 0.172 120.671 120.500 -0.001 0.000 2.152 240 R HA -0.180 4.159 4.340 -0.001 0.000 0.232 240 R C 1.998 178.329 176.300 0.051 0.000 1.117 240 R CA 1.893 58.013 56.100 0.034 0.000 0.981 240 R CB -0.380 29.967 30.300 0.080 0.000 0.870 240 R HN 0.761 nan 8.270 nan 0.000 0.451 241 H N -0.480 118.578 119.070 -0.020 0.000 2.344 241 H HA 0.057 4.612 4.556 -0.001 0.000 0.307 241 H C 2.078 177.420 175.328 0.023 0.000 1.057 241 H CA 1.845 57.893 56.048 -0.000 0.000 1.373 241 H CB 0.082 29.845 29.762 0.002 0.000 1.421 241 H HN 0.262 nan 8.280 nan 0.000 0.532 242 S N 0.412 116.245 115.700 0.222 0.000 2.489 242 S HA -0.084 4.386 4.470 -0.001 0.000 0.228 242 S C 2.048 176.686 174.600 0.063 0.000 0.995 242 S CA 0.778 59.089 58.200 0.184 0.000 0.934 242 S CB -0.336 63.055 63.200 0.317 0.000 0.771 242 S HN 0.384 nan 8.310 nan 0.000 0.522 243 L N 3.571 124.814 121.223 0.033 0.000 1.973 243 L HA 0.104 4.443 4.340 -0.001 0.000 0.208 243 L C -0.851 175.990 176.870 -0.049 0.000 1.073 243 L CA 1.840 56.678 54.840 -0.003 0.000 0.746 243 L CB -1.381 40.669 42.059 -0.016 0.000 0.891 243 L HN 0.113 nan 8.230 nan 0.000 0.433 244 P HA -0.192 nan 4.420 nan 0.000 0.218 244 P C 0.937 178.177 177.300 -0.100 0.000 1.148 244 P CA 1.778 64.809 63.100 -0.114 0.000 0.822 244 P CB -0.084 31.541 31.700 -0.125 0.000 0.784 245 D N 0.361 120.694 120.400 -0.112 0.000 2.097 245 D HA -0.113 4.526 4.640 -0.001 0.000 0.195 245 D C 2.363 178.642 176.300 -0.034 0.000 0.989 245 D CA 1.852 55.799 54.000 -0.088 0.000 0.827 245 D CB -1.037 39.696 40.800 -0.111 0.000 0.966 245 D HN 0.083 nan 8.370 nan 0.000 0.456 246 G N 0.046 108.836 108.800 -0.017 0.000 2.422 246 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.218 246 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.218 246 G C 1.539 176.429 174.900 -0.016 0.000 1.146 246 G CA 0.566 45.663 45.100 -0.005 0.000 0.769 246 G HN 0.272 nan 8.290 nan 0.000 0.547 247 L N 0.291 121.499 121.223 -0.025 0.000 2.056 247 L HA 0.135 4.475 4.340 -0.001 0.000 0.207 247 L C 3.025 179.881 176.870 -0.024 0.000 1.078 247 L CA 1.304 56.135 54.840 -0.015 0.000 0.749 247 L CB -0.649 41.373 42.059 -0.060 0.000 0.901 247 L HN 0.230 nan 8.230 nan 0.000 0.433 248 M N -1.474 118.106 119.600 -0.033 0.000 2.132 248 M HA -0.192 4.287 4.480 -0.001 0.000 0.263 248 M C 2.332 178.619 176.300 -0.022 0.000 1.065 248 M CA 1.532 56.821 55.300 -0.019 0.000 1.122 248 M CB -0.343 32.244 32.600 -0.023 0.000 1.365 248 M HN 0.139 nan 8.290 nan 0.000 0.411 249 R N 0.060 120.547 120.500 -0.022 0.000 2.115 249 R HA -0.004 4.335 4.340 -0.001 0.000 0.226 249 R C 2.314 178.591 176.300 -0.039 0.000 1.100 249 R CA 1.308 57.398 56.100 -0.017 0.000 0.980 249 R CB -0.427 29.872 30.300 -0.000 0.000 0.875 249 R HN 0.350 nan 8.270 nan 0.000 0.445 250 A N 0.585 123.371 122.820 -0.056 0.000 1.897 250 A HA -0.118 4.201 4.320 -0.001 0.000 0.215 250 A C 2.126 179.613 177.584 -0.162 0.000 1.181 250 A CA 1.868 53.853 52.037 -0.087 0.000 0.620 250 A CB -0.263 18.693 19.000 -0.074 0.000 0.821 250 A HN 0.456 nan 8.150 nan 0.000 0.443 251 T N -6.662 107.754 114.554 -0.229 0.000 2.954 251 T HA 0.171 4.521 4.350 -0.001 0.000 0.252 251 T C 0.359 174.857 174.700 -0.338 0.000 0.983 251 T CA 0.862 62.657 62.100 -0.510 0.000 0.941 251 T CB 0.231 68.478 68.868 -1.034 0.000 1.141 251 T HN 0.302 nan 8.240 nan 0.000 0.500 252 D N 0.908 121.254 120.400 -0.089 0.000 3.059 252 D HA -0.114 4.525 4.640 -0.001 0.000 0.220 252 D C -0.802 175.660 176.300 0.270 0.000 1.169 252 D CA 0.569 54.612 54.000 0.071 0.000 0.902 252 D CB -1.419 39.428 40.800 0.078 0.000 1.116 252 D HN 0.363 nan 8.370 nan 0.000 0.417 253 F N 0.308 120.328 119.950 0.117 0.000 2.410 253 F HA 0.333 4.859 4.527 -0.001 0.000 0.334 253 F C 1.130 177.022 175.800 0.153 0.000 1.134 253 F CA -1.131 56.964 58.000 0.158 0.000 1.227 253 F CB 0.172 39.333 39.000 0.269 0.000 1.194 253 F HN -0.137 nan 8.300 nan 0.000 0.571 254 L N 2.904 124.312 121.223 0.308 0.000 2.426 254 L HA 0.192 4.531 4.340 -0.001 0.000 0.271 254 L C 0.444 177.435 176.870 0.201 0.000 1.169 254 L CA 0.614 55.559 54.840 0.175 0.000 0.836 254 L CB 0.165 42.284 42.059 0.100 0.000 1.112 254 L HN 0.619 nan 8.230 nan 0.000 0.465 255 I N 0.784 121.387 120.570 0.056 0.000 3.445 255 I HA 0.081 4.251 4.170 -0.001 0.000 0.288 255 I C 0.772 176.883 176.117 -0.011 0.000 1.198 255 I CA 0.022 61.281 61.300 -0.070 0.000 1.417 255 I CB 0.118 37.984 38.000 -0.224 0.000 1.205 255 I HN 0.573 nan 8.210 nan 0.000 0.448 256 S N 1.318 117.021 115.700 0.006 0.000 2.552 256 S HA 0.226 4.696 4.470 -0.001 0.000 0.289 256 S C 1.213 175.836 174.600 0.037 0.000 1.304 256 S CA 0.744 58.953 58.200 0.015 0.000 1.063 256 S CB 0.647 63.856 63.200 0.014 0.000 0.848 256 S HN 0.692 nan 8.310 nan 0.000 0.499 257 G N 2.129 110.952 108.800 0.038 0.000 2.212 257 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.266 257 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.266 257 G C 0.034 174.973 174.900 0.065 0.000 0.978 257 G CA 0.156 45.283 45.100 0.046 0.000 0.632 257 G HN 0.540 nan 8.290 nan 0.000 0.537 258 K N 0.252 120.707 120.400 0.091 0.000 2.118 258 K HA 0.570 4.889 4.320 -0.001 0.000 0.264 258 K C 0.606 177.284 176.600 0.129 0.000 1.000 258 K CA -0.766 55.606 56.287 0.142 0.000 0.929 258 K CB 1.227 33.918 32.500 0.319 0.000 1.021 258 K HN 0.271 nan 8.250 nan 0.000 0.463 259 I N 2.437 123.070 120.570 0.105 0.000 2.322 259 I HA 0.054 4.223 4.170 -0.001 0.000 0.292 259 I C -0.275 175.866 176.117 0.039 0.000 1.060 259 I CA -0.591 60.746 61.300 0.061 0.000 1.309 259 I CB 0.752 38.709 38.000 -0.072 0.000 1.415 259 I HN -0.021 nan 8.210 nan 0.000 0.492 260 V N 7.815 127.762 119.914 0.055 0.000 2.398 260 V HA 0.311 4.431 4.120 -0.001 0.000 0.286 260 V C 0.046 176.106 176.094 -0.057 0.000 1.026 260 V CA -0.669 61.628 62.300 -0.005 0.000 0.868 260 V CB 1.911 33.700 31.823 -0.057 0.000 0.982 260 V HN 0.350 nan 8.190 nan 0.000 0.443 261 V N 6.223 126.029 119.914 -0.180 0.000 2.347 261 V HA 0.468 4.587 4.120 -0.001 0.000 0.280 261 V C -0.193 175.886 176.094 -0.024 0.000 1.021 261 V CA -0.471 61.760 62.300 -0.115 0.000 0.847 261 V CB 1.440 33.117 31.823 -0.243 0.000 0.990 261 V HN 0.570 nan 8.190 nan 0.000 0.444 262 I N 3.926 124.494 120.570 -0.004 0.000 2.354 262 I HA 0.363 4.533 4.170 -0.001 0.000 0.292 262 I C -0.007 176.143 176.117 0.055 0.000 0.989 262 I CA -0.292 61.019 61.300 0.018 0.000 1.188 262 I CB 1.446 39.437 38.000 -0.016 0.000 1.342 262 I HN 0.543 nan 8.210 nan 0.000 0.457 263 C N 4.728 124.071 119.300 0.072 0.000 2.265 263 C HA 0.783 5.242 4.460 -0.001 0.000 0.332 263 C C 0.763 175.798 174.990 0.075 0.000 1.248 263 C CA -0.368 58.694 59.018 0.073 0.000 1.727 263 C CB -0.101 27.681 27.740 0.072 0.000 2.348 263 C HN 1.077 nan 8.230 nan 0.000 0.519 264 G N 2.547 111.400 108.800 0.090 0.000 3.209 264 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.686 264 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.686 264 G C -1.151 173.844 174.900 0.159 0.000 1.065 264 G CA -0.654 44.504 45.100 0.096 0.000 0.812 264 G HN 0.843 nan 8.290 nan 0.000 0.573 265 Y N 3.057 123.363 120.300 0.009 0.000 2.516 265 Y HA 0.536 5.085 4.550 -0.001 0.000 0.341 265 Y C 1.145 177.051 175.900 0.009 0.000 0.912 265 Y CA 0.271 58.380 58.100 0.015 0.000 1.167 265 Y CB 0.083 38.566 38.460 0.038 0.000 1.195 265 Y HN 0.901 nan 8.280 nan 0.000 0.610 266 G N 0.071 108.815 108.800 -0.094 0.000 2.714 266 G HA2 0.025 3.985 3.960 -0.001 0.000 0.197 266 G HA3 0.025 3.985 3.960 -0.001 0.000 0.197 266 G C 0.582 175.349 174.900 -0.221 0.000 1.449 266 G CA 0.037 45.062 45.100 -0.124 0.000 1.065 266 G HN 0.237 nan 8.290 nan 0.000 0.575 267 D N -0.807 119.496 120.400 -0.162 0.000 2.104 267 D HA -0.133 4.506 4.640 -0.001 0.000 0.194 267 D C 2.750 178.943 176.300 -0.179 0.000 0.994 267 D CA 1.120 55.013 54.000 -0.179 0.000 0.830 267 D CB -0.327 40.391 40.800 -0.138 0.000 0.959 267 D HN 0.037 nan 8.370 nan 0.000 0.452 268 V N 1.124 120.965 119.914 -0.122 0.000 2.358 268 V HA -0.146 3.973 4.120 -0.001 0.000 0.246 268 V C 2.592 178.626 176.094 -0.099 0.000 1.047 268 V CA 1.995 64.245 62.300 -0.084 0.000 1.035 268 V CB -0.973 30.830 31.823 -0.035 0.000 0.658 268 V HN 0.228 nan 8.190 nan 0.000 0.452 269 G N -0.341 108.388 108.800 -0.118 0.000 2.418 269 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.217 269 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.217 269 G C 1.669 176.447 174.900 -0.204 0.000 1.158 269 G CA 0.803 45.845 45.100 -0.096 0.000 0.771 269 G HN 0.466 nan 8.290 nan 0.000 0.545 270 K N 0.103 120.218 120.400 -0.474 0.000 2.057 270 K HA -0.041 4.278 4.320 -0.001 0.000 0.207 270 K C 2.758 179.271 176.600 -0.146 0.000 1.049 270 K CA 0.976 56.962 56.287 -0.501 0.000 0.931 270 K CB -0.352 31.826 32.500 -0.537 0.000 0.714 270 K HN 0.281 nan 8.250 nan 0.000 0.440 271 G N 0.904 109.618 108.800 -0.143 0.000 2.404 271 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.215 271 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.215 271 G C 1.653 176.537 174.900 -0.027 0.000 1.174 271 G CA 0.843 45.897 45.100 -0.077 0.000 0.780 271 G HN 0.300 nan 8.290 nan 0.000 0.537 272 C N 1.019 120.296 119.300 -0.038 0.000 2.413 272 C HA 0.119 4.578 4.460 -0.001 0.000 0.276 272 C C 3.561 178.529 174.990 -0.036 0.000 1.236 272 C CA 1.001 60.001 59.018 -0.031 0.000 1.735 272 C CB -0.987 26.734 27.740 -0.031 0.000 2.031 272 C HN 0.558 nan 8.230 nan 0.000 0.474 273 A N 1.297 124.100 122.820 -0.028 0.000 1.933 273 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 273 A C 2.299 179.927 177.584 0.072 0.000 1.175 273 A CA 2.407 54.391 52.037 -0.090 0.000 0.628 273 A CB -0.894 18.031 19.000 -0.125 0.000 0.814 273 A HN 0.736 nan 8.150 nan 0.000 0.444 274 S N 0.650 116.440 115.700 0.151 0.000 2.382 274 S HA -0.206 4.264 4.470 -0.001 0.000 0.228 274 S C 2.147 176.806 174.600 0.098 0.000 1.027 274 S CA 1.950 60.255 58.200 0.175 0.000 0.991 274 S CB -0.954 62.328 63.200 0.137 0.000 0.823 274 S HN 0.955 nan 8.310 nan 0.000 0.469 275 S N 2.071 117.797 115.700 0.044 0.000 2.371 275 S HA 0.031 4.501 4.470 -0.001 0.000 0.224 275 S C 2.069 176.660 174.600 -0.015 0.000 1.029 275 S CA 1.072 59.278 58.200 0.009 0.000 0.978 275 S CB -0.617 62.574 63.200 -0.016 0.000 0.833 275 S HN 0.360 nan 8.310 nan 0.000 0.466 276 M N 1.980 121.556 119.600 -0.040 0.000 2.159 276 M HA 0.008 4.487 4.480 -0.001 0.000 0.263 276 M C 2.337 178.627 176.300 -0.016 0.000 1.063 276 M CA 1.615 56.870 55.300 -0.074 0.000 1.110 276 M CB -1.217 31.306 32.600 -0.128 0.000 1.374 276 M HN 0.506 nan 8.290 nan 0.000 0.411 277 K N 0.150 120.584 120.400 0.056 0.000 2.057 277 K HA -0.105 4.215 4.320 -0.001 0.000 0.207 277 K C 2.017 178.666 176.600 0.081 0.000 1.049 277 K CA 1.600 57.972 56.287 0.141 0.000 0.931 277 K CB -0.360 32.334 32.500 0.323 0.000 0.714 277 K HN 0.369 nan 8.250 nan 0.000 0.440 278 G N 1.132 109.968 108.800 0.060 0.000 2.448 278 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.219 278 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.219 278 G C 1.394 176.302 174.900 0.013 0.000 1.127 278 G CA 0.492 45.612 45.100 0.033 0.000 0.766 278 G HN 0.237 nan 8.290 nan 0.000 0.552 279 L N -0.213 121.010 121.223 -0.000 0.000 2.418 279 L HA 0.235 4.575 4.340 -0.001 0.000 0.218 279 L C 2.011 178.878 176.870 -0.004 0.000 1.125 279 L CA 0.627 55.459 54.840 -0.014 0.000 0.835 279 L CB 0.086 42.120 42.059 -0.042 0.000 0.953 279 L HN 0.403 nan 8.230 nan 0.000 0.454 280 G N -0.297 108.508 108.800 0.009 0.000 2.138 280 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.193 280 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.193 280 G C 0.247 175.159 174.900 0.020 0.000 0.998 280 G CA -0.131 44.979 45.100 0.017 0.000 0.668 280 G HN 0.436 nan 8.290 nan 0.000 0.516 281 A N -0.121 122.705 122.820 0.009 0.000 2.287 281 A HA 0.799 5.118 4.320 -0.001 0.000 0.273 281 A C 0.673 178.280 177.584 0.038 0.000 1.091 281 A CA -0.239 51.804 52.037 0.011 0.000 0.817 281 A CB 0.442 19.418 19.000 -0.040 0.000 1.069 281 A HN 0.432 nan 8.150 nan 0.000 0.492 282 R N 0.720 121.260 120.500 0.067 0.000 2.204 282 R HA 0.396 4.736 4.340 -0.001 0.000 0.341 282 R C -1.172 175.187 176.300 0.098 0.000 1.035 282 R CA -0.296 55.859 56.100 0.092 0.000 0.887 282 R CB 0.883 31.283 30.300 0.167 0.000 1.114 282 R HN 0.462 nan 8.270 nan 0.000 0.473 283 V N 4.815 124.714 119.914 -0.025 0.000 2.461 283 V HA 0.209 4.329 4.120 -0.001 0.000 0.275 283 V C -0.492 175.466 176.094 -0.227 0.000 1.047 283 V CA -0.383 61.821 62.300 -0.161 0.000 0.955 283 V CB 0.483 31.960 31.823 -0.577 0.000 0.988 283 V HN 0.532 nan 8.190 nan 0.000 0.471 284 Y N 4.375 124.580 120.300 -0.157 0.000 2.393 284 Y HA 0.644 5.194 4.550 -0.001 0.000 0.341 284 Y C 0.019 175.846 175.900 -0.120 0.000 0.988 284 Y CA -0.994 57.048 58.100 -0.097 0.000 1.078 284 Y CB 1.770 40.189 38.460 -0.068 0.000 1.203 284 Y HN 0.355 nan 8.280 nan 0.000 0.453 285 I N 2.659 123.243 120.570 0.024 0.000 2.569 285 I HA 0.379 4.548 4.170 -0.001 0.000 0.296 285 I C -0.052 176.089 176.117 0.039 0.000 1.028 285 I CA -0.724 60.573 61.300 -0.005 0.000 1.082 285 I CB 1.962 39.902 38.000 -0.100 0.000 1.264 285 I HN 0.639 nan 8.210 nan 0.000 0.429 286 T N 2.155 116.741 114.554 0.052 0.000 2.855 286 T HA 0.758 5.108 4.350 -0.001 0.000 0.281 286 T C -0.395 174.338 174.700 0.056 0.000 1.007 286 T CA -0.576 61.555 62.100 0.051 0.000 1.009 286 T CB 2.814 71.710 68.868 0.047 0.000 0.983 286 T HN 0.511 nan 8.240 nan 0.000 0.455 287 E N 0.904 121.133 120.200 0.048 0.000 2.412 287 E HA 0.400 4.749 4.350 -0.001 0.000 0.279 287 E C 0.336 176.961 176.600 0.043 0.000 0.984 287 E CA -0.670 55.763 56.400 0.056 0.000 0.788 287 E CB 2.123 31.861 29.700 0.062 0.000 1.277 287 E HN 0.843 nan 8.360 nan 0.000 0.455 288 I N -2.634 117.961 120.570 0.042 0.000 4.312 288 I HA 0.392 4.562 4.170 -0.001 0.000 0.324 288 I C 0.543 176.678 176.117 0.030 0.000 1.298 288 I CA -0.132 61.188 61.300 0.033 0.000 1.231 288 I CB 0.706 38.724 38.000 0.030 0.000 1.152 288 I HN 0.083 nan 8.210 nan 0.000 0.421 289 D N 3.778 124.200 120.400 0.036 0.000 2.274 289 D HA 0.239 4.878 4.640 -0.001 0.000 0.239 289 D C -1.513 174.808 176.300 0.035 0.000 1.104 289 D CA -2.519 51.501 54.000 0.033 0.000 0.840 289 D CB 1.878 42.699 40.800 0.036 0.000 1.100 289 D HN 0.020 nan 8.370 nan 0.000 0.477 290 P HA -0.106 nan 4.420 nan 0.000 0.218 290 P C 1.768 179.082 177.300 0.022 0.000 1.149 290 P CA 0.740 63.852 63.100 0.020 0.000 0.817 290 P CB 0.594 32.301 31.700 0.013 0.000 0.785 291 I N -0.374 120.213 120.570 0.027 0.000 2.252 291 I HA -0.205 3.965 4.170 -0.001 0.000 0.245 291 I C 2.616 178.767 176.117 0.056 0.000 1.102 291 I CA 1.244 62.562 61.300 0.030 0.000 1.385 291 I CB -0.795 37.218 38.000 0.023 0.000 1.064 291 I HN 0.019 nan 8.210 nan 0.000 0.414 292 C N 0.771 120.120 119.300 0.082 0.000 2.435 292 C HA -0.036 4.423 4.460 -0.001 0.000 0.279 292 C C 3.188 178.257 174.990 0.131 0.000 1.321 292 C CA 0.695 59.812 59.018 0.166 0.000 1.752 292 C CB -1.174 26.678 27.740 0.187 0.000 1.959 292 C HN 0.578 nan 8.230 nan 0.000 0.500 293 A N 0.724 123.577 122.820 0.054 0.000 1.908 293 A HA -0.135 4.184 4.320 -0.001 0.000 0.218 293 A C 1.999 179.557 177.584 -0.043 0.000 1.181 293 A CA 1.616 53.648 52.037 -0.009 0.000 0.627 293 A CB -0.573 18.428 19.000 0.001 0.000 0.818 293 A HN 0.611 nan 8.150 nan 0.000 0.445 294 I N -0.658 119.904 120.570 -0.013 0.000 2.315 294 I HA -0.280 3.890 4.170 -0.001 0.000 0.248 294 I C 2.728 178.826 176.117 -0.032 0.000 1.117 294 I CA 1.224 62.509 61.300 -0.025 0.000 1.404 294 I CB -0.439 37.556 38.000 -0.009 0.000 1.071 294 I HN 0.448 nan 8.210 nan 0.000 0.419 295 Q N 0.730 120.540 119.800 0.017 0.000 2.096 295 Q HA -0.206 4.133 4.340 -0.001 0.000 0.204 295 Q C 2.492 178.463 176.000 -0.050 0.000 0.982 295 Q CA 1.804 57.647 55.803 0.066 0.000 0.850 295 Q CB -0.292 28.593 28.738 0.245 0.000 0.901 295 Q HN 0.583 nan 8.270 nan 0.000 0.422 296 A N 0.314 122.954 122.820 -0.300 0.000 1.933 296 A HA -0.122 4.198 4.320 -0.001 0.000 0.218 296 A C 2.303 179.728 177.584 -0.264 0.000 1.175 296 A CA 1.245 52.929 52.037 -0.587 0.000 0.628 296 A CB -0.510 18.022 19.000 -0.779 0.000 0.814 296 A HN 0.211 nan 8.150 nan 0.000 0.444 297 V N -0.079 119.727 119.914 -0.180 0.000 2.453 297 V HA -0.207 3.912 4.120 -0.001 0.000 0.247 297 V C 2.403 178.394 176.094 -0.172 0.000 1.048 297 V CA 1.639 63.854 62.300 -0.141 0.000 1.049 297 V CB -0.614 31.154 31.823 -0.091 0.000 0.672 297 V HN 0.496 nan 8.190 nan 0.000 0.457 298 M N -0.408 119.102 119.600 -0.150 0.000 2.632 298 M HA -0.024 4.456 4.480 -0.001 0.000 0.256 298 M C 1.525 177.699 176.300 -0.211 0.000 1.080 298 M CA 1.059 56.276 55.300 -0.139 0.000 1.084 298 M CB -0.830 31.721 32.600 -0.081 0.000 1.439 298 M HN 0.321 nan 8.290 nan 0.000 0.509 299 E N -0.485 119.498 120.200 -0.362 0.000 2.481 299 E HA 0.277 4.627 4.350 -0.001 0.000 0.198 299 E C 1.352 177.484 176.600 -0.780 0.000 1.027 299 E CA 0.412 56.463 56.400 -0.582 0.000 0.900 299 E CB 0.289 29.517 29.700 -0.788 0.000 0.993 299 E HN 0.567 nan 8.360 nan 0.000 0.482 300 G N 1.056 109.544 108.800 -0.519 0.000 2.157 300 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.239 300 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.239 300 G C 0.159 174.928 174.900 -0.219 0.000 0.982 300 G CA -0.224 44.672 45.100 -0.342 0.000 0.650 300 G HN 0.250 nan 8.290 nan 0.000 0.527 301 F N 0.432 120.281 119.950 -0.169 0.000 2.371 301 F HA 0.518 5.045 4.527 -0.001 0.000 0.329 301 F C 0.778 176.425 175.800 -0.256 0.000 1.107 301 F CA -1.117 56.747 58.000 -0.226 0.000 1.137 301 F CB 0.956 39.814 39.000 -0.237 0.000 1.214 301 F HN 0.023 nan 8.300 nan 0.000 0.536 302 N N 1.543 120.152 118.700 -0.151 0.000 2.422 302 N HA 0.240 4.979 4.740 -0.001 0.000 0.266 302 N C -1.276 174.179 175.510 -0.091 0.000 1.007 302 N CA -0.276 52.652 53.050 -0.203 0.000 0.941 302 N CB 1.269 39.491 38.487 -0.442 0.000 1.115 302 N HN 0.298 nan 8.380 nan 0.000 0.492 303 V N 4.535 124.429 119.914 -0.033 0.000 2.385 303 V HA 0.416 4.536 4.120 -0.001 0.000 0.269 303 V C 0.444 176.566 176.094 0.047 0.000 1.043 303 V CA -0.458 61.844 62.300 0.002 0.000 0.906 303 V CB 0.619 32.430 31.823 -0.021 0.000 0.995 303 V HN 0.531 nan 8.190 nan 0.000 0.467 304 V N 2.114 122.080 119.914 0.086 0.000 3.165 304 V HA 0.849 4.968 4.120 -0.001 0.000 0.309 304 V C -0.110 176.025 176.094 0.069 0.000 1.267 304 V CA -0.629 61.728 62.300 0.095 0.000 1.067 304 V CB 2.189 34.106 31.823 0.157 0.000 1.082 304 V HN 0.758 nan 8.190 nan 0.000 0.451 305 T N -0.626 113.962 114.554 0.056 0.000 2.928 305 T HA 0.503 4.852 4.350 -0.001 0.000 0.284 305 T C 0.807 175.520 174.700 0.022 0.000 1.008 305 T CA -0.136 61.986 62.100 0.037 0.000 1.057 305 T CB 1.510 70.402 68.868 0.040 0.000 1.018 305 T HN 0.909 nan 8.240 nan 0.000 0.493 306 L N 1.391 122.598 121.223 -0.026 0.000 2.013 306 L HA -0.123 4.217 4.340 -0.001 0.000 0.212 306 L C 2.131 178.968 176.870 -0.056 0.000 1.073 306 L CA 1.964 56.747 54.840 -0.094 0.000 0.753 306 L CB -0.972 40.873 42.059 -0.356 0.000 0.890 306 L HN 0.778 nan 8.230 nan 0.000 0.432 307 D N -0.604 119.797 120.400 0.002 0.000 2.190 307 D HA -0.240 4.400 4.640 -0.001 0.000 0.200 307 D C 1.841 178.170 176.300 0.049 0.000 0.992 307 D CA 1.609 55.656 54.000 0.078 0.000 0.854 307 D CB -0.024 40.841 40.800 0.108 0.000 0.936 307 D HN 0.607 nan 8.370 nan 0.000 0.462 308 E N -0.358 119.864 120.200 0.036 0.000 2.216 308 E HA -0.053 4.296 4.350 -0.001 0.000 0.192 308 E C 1.658 178.259 176.600 0.001 0.000 0.988 308 E CA 0.274 56.692 56.400 0.029 0.000 0.834 308 E CB 0.354 30.079 29.700 0.043 0.000 0.772 308 E HN 0.168 nan 8.360 nan 0.000 0.479 309 I N -0.693 119.870 120.570 -0.012 0.000 4.403 309 I HA -0.005 4.164 4.170 -0.001 0.000 0.331 309 I C 1.463 177.601 176.117 0.036 0.000 1.327 309 I CA 0.120 61.370 61.300 -0.083 0.000 1.175 309 I CB 0.950 38.803 38.000 -0.245 0.000 1.165 309 I HN -0.142 nan 8.210 nan 0.000 0.413 310 V N 0.908 120.889 119.914 0.111 0.000 2.794 310 V HA -0.262 3.858 4.120 -0.001 0.000 0.260 310 V C 1.699 177.887 176.094 0.155 0.000 1.103 310 V CA 2.435 64.842 62.300 0.178 0.000 1.125 310 V CB -0.517 31.313 31.823 0.012 0.000 0.702 310 V HN 0.421 nan 8.190 nan 0.000 0.494 311 D N -0.466 119.981 120.400 0.080 0.000 2.249 311 D HA -0.017 4.622 4.640 -0.001 0.000 0.205 311 D C 1.837 178.162 176.300 0.042 0.000 0.962 311 D CA 0.824 54.854 54.000 0.050 0.000 0.860 311 D CB 0.106 40.919 40.800 0.021 0.000 0.955 311 D HN 0.547 nan 8.370 nan 0.000 0.505 312 K N 0.455 120.862 120.400 0.012 0.000 2.374 312 K HA 0.204 4.523 4.320 -0.001 0.000 0.202 312 K C 1.036 177.593 176.600 -0.071 0.000 1.040 312 K CA -0.212 56.054 56.287 -0.035 0.000 1.085 312 K CB 1.534 33.987 32.500 -0.078 0.000 0.873 312 K HN -0.119 nan 8.250 nan 0.000 0.539 313 G N 1.663 110.437 108.800 -0.044 0.000 2.340 313 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.245 313 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.245 313 G C -0.048 174.713 174.900 -0.233 0.000 1.294 313 G CA -0.206 44.705 45.100 -0.316 0.000 0.896 313 G HN 0.044 nan 8.290 nan 0.000 0.522 314 D N 0.946 121.177 120.400 -0.283 0.000 2.323 314 D HA 0.060 4.699 4.640 -0.001 0.000 0.218 314 D C -0.037 175.942 176.300 -0.535 0.000 0.973 314 D CA 0.987 54.810 54.000 -0.294 0.000 0.890 314 D CB 0.415 41.108 40.800 -0.179 0.000 1.011 314 D HN 0.325 nan 8.370 nan 0.000 0.499 315 F N -0.157 119.634 119.950 -0.264 0.000 2.556 315 F HA 0.416 4.942 4.527 -0.001 0.000 0.314 315 F C -0.760 174.788 175.800 -0.419 0.000 1.106 315 F CA -0.982 56.921 58.000 -0.161 0.000 0.911 315 F CB 1.633 40.589 39.000 -0.074 0.000 1.190 315 F HN -0.349 nan 8.300 nan 0.000 0.448 316 F N 4.021 124.069 119.950 0.162 0.000 2.499 316 F HA 0.646 5.173 4.527 0.000 0.000 0.333 316 F C -0.817 175.033 175.800 0.084 0.000 1.138 316 F CA -0.753 57.297 58.000 0.084 0.000 0.945 316 F CB 1.470 40.488 39.000 0.030 0.000 1.181 316 F HN 0.101 nan 8.300 nan 0.000 0.435 317 I N 2.316 123.000 120.570 0.189 0.000 2.436 317 I HA 0.388 4.558 4.170 -0.001 0.000 0.289 317 I C -0.136 176.043 176.117 0.104 0.000 1.010 317 I CA -0.585 60.791 61.300 0.126 0.000 1.098 317 I CB 2.248 40.291 38.000 0.071 0.000 1.266 317 I HN 0.553 nan 8.210 nan 0.000 0.434 318 T N 1.454 116.063 114.554 0.091 0.000 2.795 318 T HA 0.481 4.830 4.350 -0.001 0.000 0.282 318 T C 0.028 174.765 174.700 0.062 0.000 0.980 318 T CA -0.592 61.554 62.100 0.078 0.000 1.012 318 T CB 0.889 69.803 68.868 0.076 0.000 0.936 318 T HN 0.687 nan 8.240 nan 0.000 0.457 319 C N 2.206 121.539 119.300 0.054 0.000 3.144 319 C HA 0.319 4.778 4.460 -0.001 0.000 0.253 319 C C 2.091 177.098 174.990 0.029 0.000 2.010 319 C CA -0.171 58.869 59.018 0.036 0.000 1.698 319 C CB -1.679 26.072 27.740 0.019 0.000 3.346 319 C HN 1.079 nan 8.230 nan 0.000 0.449 320 T N -2.528 112.053 114.554 0.044 0.000 3.009 320 T HA 0.297 4.646 4.350 -0.001 0.000 0.258 320 T C 1.748 176.443 174.700 -0.009 0.000 1.063 320 T CA 1.442 63.559 62.100 0.028 0.000 1.139 320 T CB -0.214 68.681 68.868 0.045 0.000 0.890 320 T HN 1.369 nan 8.240 nan 0.000 0.471 321 G N 1.642 110.446 108.800 0.006 0.000 2.176 321 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.252 321 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.252 321 G C -0.028 174.691 174.900 -0.300 0.000 1.024 321 G CA 0.278 45.275 45.100 -0.172 0.000 0.755 321 G HN 0.779 nan 8.290 nan 0.000 0.507 322 N N -1.057 117.630 118.700 -0.021 0.000 2.906 322 N HA 0.759 5.498 4.740 -0.001 0.000 0.327 322 N C 0.189 175.845 175.510 0.242 0.000 1.344 322 N CA 0.192 53.268 53.050 0.043 0.000 0.823 322 N CB 1.974 40.486 38.487 0.041 0.000 1.351 322 N HN 0.761 nan 8.380 nan 0.000 0.604 323 V N -1.837 118.177 119.914 0.168 0.000 2.815 323 V HA 0.544 4.664 4.120 -0.001 0.000 0.314 323 V C -0.612 175.539 176.094 0.095 0.000 1.064 323 V CA -0.725 61.671 62.300 0.159 0.000 0.952 323 V CB 1.451 33.352 31.823 0.131 0.000 1.020 323 V HN 0.720 nan 8.190 nan 0.000 0.439 324 D N 1.398 121.843 120.400 0.074 0.000 2.689 324 D HA -0.152 4.487 4.640 -0.001 0.000 0.237 324 D C 0.965 177.309 176.300 0.074 0.000 1.148 324 D CA 1.073 55.108 54.000 0.059 0.000 0.656 324 D CB -0.881 39.947 40.800 0.046 0.000 1.050 324 D HN 0.555 nan 8.370 nan 0.000 0.426 325 V N -0.491 119.468 119.914 0.075 0.000 2.346 325 V HA -0.069 4.051 4.120 -0.001 0.000 0.244 325 V C 1.578 177.716 176.094 0.074 0.000 1.037 325 V CA 1.030 63.372 62.300 0.070 0.000 1.029 325 V CB 0.155 32.015 31.823 0.063 0.000 0.663 325 V HN 0.333 nan 8.190 nan 0.000 0.454 326 I N 1.276 121.889 120.570 0.071 0.000 2.388 326 I HA 0.245 4.414 4.170 -0.001 0.000 0.281 326 I C 0.095 176.288 176.117 0.127 0.000 1.046 326 I CA -0.209 61.142 61.300 0.087 0.000 1.187 326 I CB 0.742 38.734 38.000 -0.013 0.000 1.351 326 I HN 0.182 nan 8.210 nan 0.000 0.472 327 K N 3.949 124.497 120.400 0.247 0.000 2.120 327 K HA 0.218 4.538 4.320 -0.001 0.000 0.245 327 K C 1.075 177.636 176.600 -0.064 0.000 1.024 327 K CA -0.770 55.531 56.287 0.024 0.000 0.906 327 K CB 1.269 33.718 32.500 -0.085 0.000 1.051 327 K HN 0.429 nan 8.250 nan 0.000 0.491 328 L N 2.299 123.455 121.223 -0.112 0.000 2.042 328 L HA -0.221 4.119 4.340 -0.001 0.000 0.210 328 L C 2.172 178.911 176.870 -0.219 0.000 1.076 328 L CA 2.155 56.896 54.840 -0.164 0.000 0.749 328 L CB -0.798 41.152 42.059 -0.181 0.000 0.893 328 L HN 0.804 nan 8.230 nan 0.000 0.432 329 E N -1.824 118.221 120.200 -0.259 0.000 2.204 329 E HA -0.265 4.085 4.350 -0.001 0.000 0.195 329 E C 1.818 178.271 176.600 -0.245 0.000 0.990 329 E CA 1.232 57.468 56.400 -0.274 0.000 0.821 329 E CB -0.438 29.078 29.700 -0.307 0.000 0.750 329 E HN 0.587 nan 8.360 nan 0.000 0.477 330 H N 0.998 119.992 119.070 -0.127 0.000 2.343 330 H HA 0.061 4.617 4.556 -0.000 0.000 0.303 330 H C 2.395 177.597 175.328 -0.210 0.000 1.068 330 H CA 1.124 57.078 56.048 -0.157 0.000 1.359 330 H CB -0.231 29.431 29.762 -0.167 0.000 1.402 330 H HN 0.176 nan 8.280 nan 0.000 0.515 331 L N 0.258 121.432 121.223 -0.081 0.000 2.079 331 L HA -0.192 4.147 4.340 -0.001 0.000 0.210 331 L C 2.178 178.976 176.870 -0.120 0.000 1.081 331 L CA 0.591 55.350 54.840 -0.134 0.000 0.752 331 L CB -0.407 41.590 42.059 -0.103 0.000 0.896 331 L HN 0.122 nan 8.230 nan 0.000 0.433 332 L N -0.432 120.711 121.223 -0.132 0.000 2.362 332 L HA -0.147 4.193 4.340 -0.001 0.000 0.219 332 L C 2.031 178.859 176.870 -0.070 0.000 1.134 332 L CA 1.603 56.373 54.840 -0.117 0.000 0.807 332 L CB -0.630 41.328 42.059 -0.168 0.000 0.927 332 L HN 0.178 nan 8.230 nan 0.000 0.447 333 K N -1.514 118.847 120.400 -0.066 0.000 2.358 333 K HA 0.221 4.540 4.320 -0.001 0.000 0.197 333 K C 0.477 177.058 176.600 -0.031 0.000 1.025 333 K CA -0.159 56.107 56.287 -0.036 0.000 1.104 333 K CB 0.282 32.772 32.500 -0.016 0.000 0.855 333 K HN 0.226 nan 8.250 nan 0.000 0.531 334 M N 2.366 121.930 119.600 -0.060 0.000 2.240 334 M HA 0.042 4.521 4.480 -0.001 0.000 0.333 334 M C 0.587 176.891 176.300 0.008 0.000 1.110 334 M CA 0.174 55.454 55.300 -0.034 0.000 1.173 334 M CB 0.446 32.988 32.600 -0.097 0.000 1.458 334 M HN 0.016 nan 8.290 nan 0.000 0.458 335 K N 1.796 122.221 120.400 0.041 0.000 2.132 335 K HA 0.131 4.450 4.320 -0.001 0.000 0.240 335 K C -0.147 176.461 176.600 0.012 0.000 1.036 335 K CA -0.652 55.648 56.287 0.022 0.000 0.888 335 K CB 0.366 32.876 32.500 0.018 0.000 1.071 335 K HN 0.654 nan 8.250 nan 0.000 0.502 336 N N 0.935 119.634 118.700 -0.002 0.000 2.513 336 N HA -0.069 4.670 4.740 -0.001 0.000 0.268 336 N C -0.421 175.080 175.510 -0.015 0.000 1.180 336 N CA 0.356 53.404 53.050 -0.005 0.000 0.948 336 N CB 0.155 38.637 38.487 -0.009 0.000 1.083 336 N HN 0.825 nan 8.380 nan 0.000 0.455 337 N N 0.477 119.181 118.700 0.006 0.000 2.925 337 N HA -0.188 4.552 4.740 -0.001 0.000 0.244 337 N C -1.031 174.494 175.510 0.025 0.000 1.000 337 N CA 0.968 54.033 53.050 0.025 0.000 0.895 337 N CB -1.296 37.156 38.487 -0.058 0.000 1.119 337 N HN 0.703 nan 8.380 nan 0.000 0.569 338 A N -0.212 122.617 122.820 0.016 0.000 2.462 338 A HA 0.500 4.819 4.320 -0.001 0.000 0.243 338 A C 0.454 178.061 177.584 0.038 0.000 1.076 338 A CA 0.093 52.143 52.037 0.022 0.000 0.773 338 A CB 0.657 19.745 19.000 0.148 0.000 1.010 338 A HN 0.181 nan 8.150 nan 0.000 0.493 339 V N 2.949 122.839 119.914 -0.039 0.000 2.483 339 V HA 0.491 4.610 4.120 -0.001 0.000 0.295 339 V C -0.194 176.009 176.094 0.180 0.000 1.035 339 V CA -0.418 61.897 62.300 0.026 0.000 0.896 339 V CB 1.469 33.264 31.823 -0.047 0.000 0.986 339 V HN 0.633 nan 8.190 nan 0.000 0.447 340 V N 3.126 123.134 119.914 0.156 0.000 2.531 340 V HA 0.948 5.067 4.120 -0.001 0.000 0.301 340 V C 0.345 176.514 176.094 0.125 0.000 1.034 340 V CA -0.163 62.242 62.300 0.175 0.000 0.865 340 V CB 1.676 33.554 31.823 0.092 0.000 0.995 340 V HN 1.069 nan 8.190 nan 0.000 0.424 341 G N 2.494 111.375 108.800 0.135 0.000 2.718 341 G HA2 0.569 4.529 3.960 -0.001 0.000 0.295 341 G HA3 0.569 4.529 3.960 -0.001 0.000 0.295 341 G C -1.784 173.163 174.900 0.078 0.000 1.421 341 G CA -0.725 44.428 45.100 0.089 0.000 0.902 341 G HN 0.630 nan 8.290 nan 0.000 0.501 342 N N 0.031 118.761 118.700 0.049 0.000 2.362 342 N HA 0.542 5.281 4.740 -0.001 0.000 0.298 342 N C -0.099 175.430 175.510 0.031 0.000 1.048 342 N CA -0.846 52.228 53.050 0.041 0.000 0.858 342 N CB 1.916 40.415 38.487 0.021 0.000 1.218 342 N HN 0.345 nan 8.380 nan 0.000 0.488 343 I N 1.443 122.033 120.570 0.032 0.000 4.225 343 I HA 0.410 4.579 4.170 -0.001 0.000 0.327 343 I C 0.925 177.051 176.117 0.014 0.000 1.422 343 I CA -0.256 61.056 61.300 0.020 0.000 1.150 343 I CB 0.034 38.051 38.000 0.028 0.000 1.192 343 I HN 0.670 nan 8.210 nan 0.000 0.440 344 G N 0.631 109.449 108.800 0.030 0.000 2.908 344 G HA2 0.080 4.040 3.960 -0.001 0.000 0.188 344 G HA3 0.080 4.040 3.960 -0.001 0.000 0.188 344 G C -0.141 174.779 174.900 0.033 0.000 1.903 344 G CA 0.169 45.296 45.100 0.046 0.000 0.883 344 G HN 0.579 nan 8.290 nan 0.000 0.515 345 H N -2.515 116.470 119.070 -0.140 0.000 2.572 345 H HA 0.605 5.161 4.556 -0.001 0.000 0.359 345 H C 0.187 175.396 175.328 -0.198 0.000 1.134 345 H CA -1.127 54.718 56.048 -0.339 0.000 1.187 345 H CB 1.505 31.019 29.762 -0.412 0.000 1.597 345 H HN 0.300 nan 8.280 nan 0.000 0.524 346 F N 0.512 120.353 119.950 -0.180 0.000 3.093 346 F HA -0.416 4.111 4.527 -0.000 0.000 0.240 346 F C 1.371 177.023 175.800 -0.247 0.000 1.138 346 F CA 1.901 59.748 58.000 -0.255 0.000 1.408 346 F CB -0.889 37.916 39.000 -0.325 0.000 0.627 346 F HN 0.939 nan 8.300 nan 0.000 0.532 347 D N -1.384 119.008 120.400 -0.013 0.000 2.673 347 D HA 0.190 4.830 4.640 -0.001 0.000 0.278 347 D C 0.352 176.593 176.300 -0.099 0.000 1.393 347 D CA 0.133 54.090 54.000 -0.072 0.000 0.805 347 D CB -0.070 40.688 40.800 -0.070 0.000 1.110 347 D HN 0.371 nan 8.370 nan 0.000 0.476 348 D N 1.334 121.640 120.400 -0.156 0.000 2.240 348 D HA -0.054 4.585 4.640 -0.001 0.000 0.206 348 D C 1.806 178.096 176.300 -0.016 0.000 0.963 348 D CA 0.482 54.426 54.000 -0.092 0.000 0.863 348 D CB 0.392 41.141 40.800 -0.085 0.000 0.973 348 D HN 0.348 nan 8.370 nan 0.000 0.501 349 E N 0.211 120.406 120.200 -0.009 0.000 2.085 349 E HA -0.096 4.254 4.350 -0.001 0.000 0.194 349 E C 0.572 177.193 176.600 0.035 0.000 0.994 349 E CA 0.734 57.172 56.400 0.064 0.000 0.801 349 E CB 0.348 30.099 29.700 0.086 0.000 0.743 349 E HN 0.317 nan 8.360 nan 0.000 0.453 350 I N 1.222 121.792 120.570 0.001 0.000 2.404 350 I HA 0.078 4.248 4.170 -0.001 0.000 0.293 350 I C 0.228 176.322 176.117 -0.038 0.000 0.992 350 I CA -0.401 60.892 61.300 -0.010 0.000 1.149 350 I CB 1.751 39.742 38.000 -0.016 0.000 1.315 350 I HN -0.152 nan 8.210 nan 0.000 0.446 351 Q N 4.453 124.234 119.800 -0.031 0.000 3.223 351 Q HA 0.073 4.413 4.340 -0.001 0.000 0.299 351 Q C 1.150 177.108 176.000 -0.070 0.000 1.385 351 Q CA -0.173 55.604 55.803 -0.043 0.000 0.942 351 Q CB 0.258 28.980 28.738 -0.028 0.000 1.748 351 Q HN 0.638 nan 8.270 nan 0.000 0.523 352 V N 0.631 120.464 119.914 -0.134 0.000 2.343 352 V HA -0.309 3.811 4.120 -0.001 0.000 0.247 352 V C 1.865 177.773 176.094 -0.310 0.000 1.051 352 V CA 1.654 63.789 62.300 -0.275 0.000 1.036 352 V CB -0.298 31.255 31.823 -0.449 0.000 0.654 352 V HN 0.642 nan 8.190 nan 0.000 0.451 353 N N 0.278 118.852 118.700 -0.210 0.000 2.069 353 N HA -0.197 4.543 4.740 -0.001 0.000 0.191 353 N C 1.882 177.415 175.510 0.039 0.000 1.031 353 N CA 1.656 54.652 53.050 -0.091 0.000 0.852 353 N CB -0.272 38.180 38.487 -0.059 0.000 1.018 353 N HN 0.528 nan 8.380 nan 0.000 0.423 354 E N 0.901 121.116 120.200 0.026 0.000 2.085 354 E HA -0.135 4.215 4.350 -0.001 0.000 0.194 354 E C 1.930 178.606 176.600 0.126 0.000 0.994 354 E CA 0.501 56.942 56.400 0.068 0.000 0.801 354 E CB -0.338 29.375 29.700 0.022 0.000 0.743 354 E HN 0.197 nan 8.360 nan 0.000 0.453 355 L N -0.534 120.758 121.223 0.115 0.000 2.056 355 L HA -0.080 4.260 4.340 -0.001 0.000 0.207 355 L C 1.721 178.804 176.870 0.354 0.000 1.078 355 L CA 1.570 56.518 54.840 0.179 0.000 0.749 355 L CB -0.343 41.818 42.059 0.170 0.000 0.901 355 L HN 0.051 nan 8.230 nan 0.000 0.433 356 F N 0.129 120.111 119.950 0.054 0.000 2.293 356 F HA -0.078 4.448 4.527 -0.002 0.000 0.300 356 F C 1.916 177.763 175.800 0.078 0.000 1.086 356 F CA 0.787 58.822 58.000 0.059 0.000 1.375 356 F CB -0.691 38.334 39.000 0.042 0.000 1.045 356 F HN 0.287 nan 8.300 nan 0.000 0.516 357 N N -1.458 117.407 118.700 0.276 0.000 2.238 357 N HA -0.055 4.685 4.740 -0.001 0.000 0.222 357 N C -0.349 175.272 175.510 0.185 0.000 1.133 357 N CA -0.017 53.142 53.050 0.182 0.000 0.854 357 N CB 0.026 38.598 38.487 0.142 0.000 1.041 357 N HN 0.160 nan 8.380 nan 0.000 0.510 358 Y N 3.042 123.384 120.300 0.071 0.000 2.304 358 Y HA 0.088 4.640 4.550 0.003 0.000 0.327 358 Y C 0.611 176.529 175.900 0.030 0.000 1.209 358 Y CA -1.081 57.045 58.100 0.044 0.000 1.299 358 Y CB 0.700 39.186 38.460 0.043 0.000 1.249 358 Y HN -0.035 nan 8.280 nan 0.000 0.519 359 K N 3.156 123.204 120.400 -0.587 0.000 2.416 359 K HA 0.416 4.735 4.320 -0.001 0.000 0.283 359 K C 0.679 177.108 176.600 -0.285 0.000 1.037 359 K CA 0.398 56.440 56.287 -0.408 0.000 0.995 359 K CB 0.145 32.379 32.500 -0.443 0.000 0.938 359 K HN 1.001 nan 8.250 nan 0.000 0.475 360 G N 2.803 111.544 108.800 -0.098 0.000 2.132 360 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.234 360 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.234 360 G C -0.122 174.814 174.900 0.060 0.000 0.989 360 G CA -0.211 44.878 45.100 -0.019 0.000 0.676 360 G HN 0.566 nan 8.290 nan 0.000 0.522 361 I N 1.111 121.732 120.570 0.084 0.000 2.353 361 I HA 0.332 4.502 4.170 -0.001 0.000 0.293 361 I C 0.435 176.607 176.117 0.091 0.000 0.992 361 I CA -0.736 60.628 61.300 0.107 0.000 1.268 361 I CB 1.275 39.356 38.000 0.135 0.000 1.387 361 I HN 0.282 nan 8.210 nan 0.000 0.478 362 H N 7.061 126.105 119.070 -0.044 0.000 2.511 362 H HA 0.523 5.079 4.556 -0.001 0.000 0.328 362 H C -1.073 174.179 175.328 -0.128 0.000 1.044 362 H CA -0.710 55.295 56.048 -0.072 0.000 1.212 362 H CB 1.417 31.151 29.762 -0.046 0.000 1.428 362 H HN 0.450 nan 8.280 nan 0.000 0.483 363 I N 4.792 125.182 120.570 -0.300 0.000 2.354 363 I HA 0.161 4.330 4.170 -0.001 0.000 0.292 363 I C -0.222 175.601 176.117 -0.490 0.000 0.989 363 I CA -0.209 60.812 61.300 -0.465 0.000 1.188 363 I CB 1.668 39.356 38.000 -0.519 0.000 1.342 363 I HN 0.585 nan 8.210 nan 0.000 0.457 364 E N 6.269 126.194 120.200 -0.459 0.000 2.216 364 E HA 0.167 4.517 4.350 -0.001 0.000 0.260 364 E C -0.859 175.641 176.600 -0.167 0.000 0.880 364 E CA -0.645 55.566 56.400 -0.314 0.000 0.765 364 E CB 1.282 30.767 29.700 -0.357 0.000 1.174 364 E HN 0.528 nan 8.360 nan 0.000 0.417 365 N N 4.036 122.676 118.700 -0.100 0.000 2.452 365 N HA 0.010 4.749 4.740 -0.001 0.000 0.266 365 N C 0.466 175.949 175.510 -0.045 0.000 1.175 365 N CA 0.082 53.097 53.050 -0.059 0.000 0.945 365 N CB 1.384 39.853 38.487 -0.031 0.000 1.063 365 N HN 0.266 nan 8.380 nan 0.000 0.472 366 V N 4.127 124.016 119.914 -0.043 0.000 2.426 366 V HA 0.002 4.121 4.120 -0.001 0.000 0.242 366 V C 0.690 176.768 176.094 -0.027 0.000 1.036 366 V CA 1.308 63.588 62.300 -0.033 0.000 1.044 366 V CB -0.350 31.451 31.823 -0.036 0.000 0.688 366 V HN 0.847 nan 8.190 nan 0.000 0.462 367 K N -1.219 119.161 120.400 -0.033 0.000 2.680 367 K HA 0.398 4.717 4.320 -0.001 0.000 0.295 367 K C -3.324 173.251 176.600 -0.042 0.000 1.052 367 K CA -1.764 54.505 56.287 -0.030 0.000 0.863 367 K CB 0.896 33.378 32.500 -0.031 0.000 1.549 367 K HN -0.231 nan 8.250 nan 0.000 0.391 368 P HA 0.008 nan 4.420 nan 0.000 0.261 368 P C -0.902 176.331 177.300 -0.112 0.000 1.183 368 P CA 0.739 63.800 63.100 -0.064 0.000 0.761 368 P CB 0.433 32.109 31.700 -0.039 0.000 0.785 369 Q N -0.554 119.135 119.800 -0.185 0.000 2.406 369 Q HA -0.150 4.190 4.340 -0.001 0.000 0.236 369 Q C -0.669 175.253 176.000 -0.131 0.000 0.799 369 Q CA 1.073 56.726 55.803 -0.250 0.000 1.286 369 Q CB -2.149 26.418 28.738 -0.285 0.000 1.615 369 Q HN 0.276 nan 8.270 nan 0.000 0.621 370 V N 0.825 120.689 119.914 -0.083 0.000 2.482 370 V HA 0.488 4.607 4.120 -0.001 0.000 0.295 370 V C -0.307 175.767 176.094 -0.033 0.000 1.026 370 V CA -0.830 61.437 62.300 -0.054 0.000 0.856 370 V CB 2.129 33.911 31.823 -0.068 0.000 1.001 370 V HN 0.073 nan 8.190 nan 0.000 0.424 371 D N 3.363 123.762 120.400 -0.002 0.000 2.457 371 D HA 0.476 5.115 4.640 -0.001 0.000 0.240 371 D C -0.586 175.695 176.300 -0.031 0.000 1.041 371 D CA -0.704 53.288 54.000 -0.013 0.000 0.861 371 D CB 3.047 43.868 40.800 0.036 0.000 1.394 371 D HN 0.368 nan 8.370 nan 0.000 0.473 372 R N 1.762 122.211 120.500 -0.086 0.000 2.310 372 R HA 0.433 4.772 4.340 -0.001 0.000 0.324 372 R C -1.082 175.124 176.300 -0.157 0.000 0.955 372 R CA -0.630 55.419 56.100 -0.085 0.000 0.830 372 R CB 0.553 30.810 30.300 -0.071 0.000 1.154 372 R HN 0.261 nan 8.270 nan 0.000 0.458 373 I N 3.015 123.520 120.570 -0.108 0.000 2.336 373 I HA 0.199 4.369 4.170 -0.001 0.000 0.292 373 I C 0.073 176.150 176.117 -0.066 0.000 0.991 373 I CA -0.033 61.188 61.300 -0.131 0.000 1.227 373 I CB 2.175 40.131 38.000 -0.073 0.000 1.366 373 I HN 0.506 nan 8.210 nan 0.000 0.466 374 T N 7.265 121.786 114.554 -0.054 0.000 2.727 374 T HA 0.486 4.835 4.350 -0.001 0.000 0.298 374 T C 0.349 175.076 174.700 0.045 0.000 0.942 374 T CA -0.469 61.644 62.100 0.022 0.000 0.997 374 T CB 0.010 68.936 68.868 0.096 0.000 0.917 374 T HN 0.249 nan 8.240 nan 0.000 0.487 375 L N 5.054 126.299 121.223 0.037 0.000 2.472 375 L HA 0.211 4.551 4.340 -0.001 0.000 0.260 375 L C -1.103 175.807 176.870 0.067 0.000 1.209 375 L CA -2.037 52.832 54.840 0.048 0.000 0.817 375 L CB 0.316 42.388 42.059 0.021 0.000 1.106 375 L HN 0.357 nan 8.230 nan 0.000 0.479 376 P HA -0.165 nan 4.420 nan 0.000 0.216 376 P C 0.748 178.082 177.300 0.057 0.000 1.150 376 P CA 1.218 64.375 63.100 0.094 0.000 0.843 376 P CB -0.040 31.749 31.700 0.149 0.000 0.787 377 N N -1.422 117.304 118.700 0.045 0.000 2.461 377 N HA 0.013 4.753 4.740 -0.001 0.000 0.188 377 N C 1.320 176.844 175.510 0.024 0.000 1.134 377 N CA 1.188 54.256 53.050 0.029 0.000 0.878 377 N CB -0.660 37.840 38.487 0.021 0.000 0.972 377 N HN 0.243 nan 8.380 nan 0.000 0.456 378 G N -0.154 108.664 108.800 0.029 0.000 2.279 378 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.223 378 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.223 378 G C -0.197 174.717 174.900 0.024 0.000 1.015 378 G CA -0.215 44.901 45.100 0.026 0.000 0.621 378 G HN 0.441 nan 8.290 nan 0.000 0.506 379 N N 1.727 120.438 118.700 0.018 0.000 2.458 379 N HA 0.362 5.102 4.740 -0.001 0.000 0.258 379 N C 0.016 175.535 175.510 0.014 0.000 1.219 379 N CA 0.599 53.657 53.050 0.013 0.000 0.902 379 N CB 0.594 39.086 38.487 0.007 0.000 1.076 379 N HN 0.499 nan 8.380 nan 0.000 0.455 380 K N 2.519 122.927 120.400 0.013 0.000 2.293 380 K HA 0.443 4.763 4.320 -0.001 0.000 0.267 380 K C 0.104 176.714 176.600 0.016 0.000 1.010 380 K CA -0.511 55.782 56.287 0.010 0.000 0.875 380 K CB 1.114 33.621 32.500 0.012 0.000 1.106 380 K HN 0.555 nan 8.250 nan 0.000 0.450 381 I N -0.163 120.415 120.570 0.013 0.000 2.863 381 I HA 0.555 4.724 4.170 -0.001 0.000 0.311 381 I C -0.510 175.625 176.117 0.030 0.000 1.026 381 I CA -1.191 60.126 61.300 0.027 0.000 1.077 381 I CB 1.322 39.335 38.000 0.021 0.000 1.262 381 I HN 0.416 nan 8.210 nan 0.000 0.461 382 I N 3.923 124.520 120.570 0.044 0.000 2.377 382 I HA 0.427 4.597 4.170 -0.001 0.000 0.293 382 I C -0.710 175.436 176.117 0.048 0.000 0.987 382 I CA -0.925 60.393 61.300 0.030 0.000 1.185 382 I CB 1.955 39.959 38.000 0.006 0.000 1.341 382 I HN 0.329 nan 8.210 nan 0.000 0.455 383 V N 7.247 127.199 119.914 0.064 0.000 2.448 383 V HA 0.426 4.545 4.120 -0.001 0.000 0.295 383 V C -0.021 176.108 176.094 0.058 0.000 1.025 383 V CA -0.614 61.740 62.300 0.091 0.000 0.859 383 V CB 1.922 33.858 31.823 0.188 0.000 0.988 383 V HN 0.467 nan 8.190 nan 0.000 0.431 384 L N 3.892 125.137 121.223 0.036 0.000 2.289 384 L HA 0.600 4.939 4.340 -0.001 0.000 0.285 384 L C 1.132 177.996 176.870 -0.011 0.000 1.049 384 L CA -0.499 54.343 54.840 0.003 0.000 0.804 384 L CB 1.331 43.395 42.059 0.009 0.000 1.195 384 L HN 0.901 nan 8.230 nan 0.000 0.428 385 A N 3.288 126.067 122.820 -0.067 0.000 2.771 385 A HA -0.273 4.047 4.320 -0.001 0.000 0.294 385 A C 1.112 178.700 177.584 0.007 0.000 1.500 385 A CA 1.170 53.136 52.037 -0.118 0.000 0.829 385 A CB -1.588 17.390 19.000 -0.036 0.000 0.998 385 A HN 0.942 nan 8.150 nan 0.000 0.526 386 R N -3.199 117.300 120.500 -0.003 0.000 3.405 386 R HA -0.218 4.121 4.340 -0.001 0.000 0.258 386 R C 1.402 177.651 176.300 -0.086 0.000 1.030 386 R CA 1.135 57.201 56.100 -0.057 0.000 0.691 386 R CB -2.333 27.962 30.300 -0.008 0.000 1.093 386 R HN 2.382 nan 8.270 nan 0.000 0.448 387 G N -0.617 108.154 108.800 -0.048 0.000 2.159 387 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.256 387 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.256 387 G C 0.256 175.152 174.900 -0.006 0.000 0.977 387 G CA 0.669 45.744 45.100 -0.043 0.000 0.652 387 G HN 0.453 nan 8.290 nan 0.000 0.531 388 R N -0.671 119.856 120.500 0.046 0.000 2.691 388 R HA 0.617 4.956 4.340 -0.001 0.000 0.259 388 R C 0.945 177.278 176.300 0.056 0.000 1.048 388 R CA -1.092 55.047 56.100 0.064 0.000 1.086 388 R CB 0.645 31.036 30.300 0.152 0.000 1.166 388 R HN 0.167 nan 8.270 nan 0.000 0.526 389 L N 3.746 124.989 121.223 0.033 0.000 2.841 389 L HA -0.171 4.169 4.340 -0.001 0.000 0.282 389 L C 1.650 178.531 176.870 0.019 0.000 1.130 389 L CA 0.047 54.891 54.840 0.007 0.000 0.996 389 L CB -0.353 41.687 42.059 -0.032 0.000 1.364 389 L HN 0.614 nan 8.230 nan 0.000 0.466 390 L N 2.317 123.548 121.223 0.014 0.000 2.156 390 L HA -0.114 4.226 4.340 -0.001 0.000 0.208 390 L C 1.934 178.807 176.870 0.005 0.000 1.095 390 L CA 1.799 56.646 54.840 0.012 0.000 0.770 390 L CB -0.823 41.248 42.059 0.020 0.000 0.914 390 L HN 0.707 nan 8.230 nan 0.000 0.439 391 N N 0.138 118.840 118.700 0.002 0.000 2.244 391 N HA -0.165 4.575 4.740 -0.001 0.000 0.183 391 N C 1.763 177.267 175.510 -0.010 0.000 1.016 391 N CA 1.444 54.500 53.050 0.011 0.000 0.866 391 N CB -0.471 38.038 38.487 0.038 0.000 0.980 391 N HN 0.442 nan 8.380 nan 0.000 0.430 392 L N -0.537 120.653 121.223 -0.055 0.000 2.416 392 L HA 0.286 4.626 4.340 -0.001 0.000 0.216 392 L C 2.395 179.269 176.870 0.006 0.000 1.098 392 L CA 0.417 55.212 54.840 -0.074 0.000 0.840 392 L CB 0.091 42.013 42.059 -0.229 0.000 0.981 392 L HN 0.396 nan 8.230 nan 0.000 0.462 393 G N -1.448 107.368 108.800 0.026 0.000 2.441 393 G HA2 -0.124 3.836 3.960 -0.001 0.000 0.212 393 G HA3 -0.124 3.836 3.960 -0.001 0.000 0.212 393 G C 1.301 176.196 174.900 -0.009 0.000 1.164 393 G CA 0.549 45.674 45.100 0.042 0.000 0.811 393 G HN 0.374 nan 8.290 nan 0.000 0.535 394 C N 0.255 119.549 119.300 -0.010 0.000 2.780 394 C HA 0.739 5.198 4.460 -0.001 0.000 0.267 394 C C 1.611 176.608 174.990 0.012 0.000 1.266 394 C CA 0.014 59.023 59.018 -0.015 0.000 1.709 394 C CB -0.674 27.051 27.740 -0.024 0.000 1.975 394 C HN 0.580 nan 8.230 nan 0.000 0.582 395 A N 0.785 123.622 122.820 0.028 0.000 3.886 395 A HA 0.637 4.956 4.320 -0.001 0.000 0.217 395 A C 0.743 178.372 177.584 0.074 0.000 0.876 395 A CA 0.728 52.797 52.037 0.054 0.000 0.726 395 A CB -0.328 18.705 19.000 0.055 0.000 1.479 395 A HN 0.290 nan 8.150 nan 0.000 0.792 396 T N -2.449 112.165 114.554 0.100 0.000 3.228 396 T HA 0.520 4.869 4.350 -0.001 0.000 0.278 396 T C 1.003 175.754 174.700 0.085 0.000 1.014 396 T CA 1.145 63.311 62.100 0.110 0.000 0.904 396 T CB -0.638 68.327 68.868 0.163 0.000 1.110 396 T HN 2.548 nan 8.240 nan 0.000 0.541 397 G N 2.040 110.874 108.800 0.058 0.000 2.697 397 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.240 397 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.240 397 G C -0.608 174.395 174.900 0.171 0.000 1.346 397 G CA -0.532 44.577 45.100 0.014 0.000 0.887 397 G HN 0.730 nan 8.290 nan 0.000 0.569 398 H N 1.896 120.984 119.070 0.030 0.000 2.948 398 H HA 0.327 4.882 4.556 -0.001 0.000 0.351 398 H C -1.294 174.018 175.328 -0.027 0.000 1.079 398 H CA -0.113 55.946 56.048 0.018 0.000 1.407 398 H CB -0.094 29.661 29.762 -0.013 0.000 1.373 398 H HN 0.537 nan 8.280 nan 0.000 0.605 399 P HA 0.065 nan 4.420 nan 0.000 0.274 399 P C 0.250 177.561 177.300 0.019 0.000 1.237 399 P CA -0.186 62.856 63.100 -0.097 0.000 0.793 399 P CB 0.831 32.293 31.700 -0.397 0.000 0.977 400 A N 1.902 124.750 122.820 0.046 0.000 1.917 400 A HA -0.245 4.075 4.320 -0.001 0.000 0.219 400 A C 2.049 179.668 177.584 0.058 0.000 1.182 400 A CA 1.656 53.730 52.037 0.062 0.000 0.633 400 A CB -1.858 17.187 19.000 0.075 0.000 0.819 400 A HN 0.588 nan 8.150 nan 0.000 0.448 401 F N 0.237 120.170 119.950 -0.028 0.000 2.171 401 F HA -0.153 4.374 4.527 -0.001 0.000 0.300 401 F C 2.268 178.086 175.800 0.029 0.000 1.090 401 F CA 1.893 59.885 58.000 -0.013 0.000 1.293 401 F CB -0.030 38.968 39.000 -0.002 0.000 1.013 401 F HN 0.048 nan 8.300 nan 0.000 0.486 402 V N -0.160 119.894 119.914 0.234 0.000 2.379 402 V HA -0.283 3.837 4.120 -0.001 0.000 0.245 402 V C 2.288 178.451 176.094 0.114 0.000 1.044 402 V CA 1.431 63.891 62.300 0.265 0.000 1.036 402 V CB -0.465 31.439 31.823 0.136 0.000 0.664 402 V HN 0.259 nan 8.190 nan 0.000 0.453 403 M N -0.301 119.261 119.600 -0.063 0.000 2.460 403 M HA -0.071 4.408 4.480 -0.001 0.000 0.263 403 M C 2.394 178.435 176.300 -0.432 0.000 1.071 403 M CA 1.276 56.344 55.300 -0.386 0.000 1.096 403 M CB -1.634 30.666 32.600 -0.500 0.000 1.408 403 M HN 0.427 nan 8.290 nan 0.000 0.463 404 S N 0.101 115.653 115.700 -0.247 0.000 2.382 404 S HA -0.110 4.360 4.470 -0.001 0.000 0.228 404 S C 1.804 176.270 174.600 -0.224 0.000 1.027 404 S CA 1.130 59.197 58.200 -0.222 0.000 0.991 404 S CB -0.176 62.815 63.200 -0.348 0.000 0.823 404 S HN 0.397 nan 8.310 nan 0.000 0.469 405 F N 1.699 121.527 119.950 -0.202 0.000 2.113 405 F HA -0.034 4.492 4.527 -0.001 0.000 0.297 405 F C 2.908 178.679 175.800 -0.048 0.000 1.103 405 F CA 1.326 59.245 58.000 -0.135 0.000 1.248 405 F CB -0.750 38.203 39.000 -0.078 0.000 0.999 405 F HN 0.160 nan 8.300 nan 0.000 0.475 406 S N 0.075 115.825 115.700 0.082 0.000 2.356 406 S HA -0.152 4.318 4.470 -0.001 0.000 0.223 406 S C 1.760 176.460 174.600 0.166 0.000 1.032 406 S CA 1.121 59.347 58.200 0.043 0.000 1.005 406 S CB -0.624 62.516 63.200 -0.100 0.000 0.867 406 S HN 0.174 nan 8.310 nan 0.000 0.449 407 F N 1.140 121.122 119.950 0.054 0.000 2.365 407 F HA 0.011 4.537 4.527 -0.001 0.000 0.300 407 F C 2.475 178.241 175.800 -0.056 0.000 1.090 407 F CA -0.981 57.025 58.000 0.010 0.000 1.408 407 F CB -1.558 37.439 39.000 -0.004 0.000 1.060 407 F HN 0.260 nan 8.300 nan 0.000 0.534 408 C N -0.006 119.360 119.300 0.110 0.000 2.466 408 C HA -0.129 4.330 4.460 -0.001 0.000 0.278 408 C C 2.491 177.418 174.990 -0.106 0.000 1.288 408 C CA 0.952 59.917 59.018 -0.087 0.000 1.722 408 C CB -1.394 26.354 27.740 0.013 0.000 2.017 408 C HN 0.461 nan 8.230 nan 0.000 0.488 409 N N 0.088 118.848 118.700 0.101 0.000 2.309 409 N HA -0.130 4.610 4.740 -0.001 0.000 0.182 409 N C 1.947 177.541 175.510 0.140 0.000 1.018 409 N CA 0.795 53.947 53.050 0.171 0.000 0.876 409 N CB -0.117 38.457 38.487 0.145 0.000 0.972 409 N HN 0.502 nan 8.380 nan 0.000 0.434 410 Q N 0.125 120.003 119.800 0.130 0.000 2.046 410 Q HA -0.046 4.294 4.340 -0.001 0.000 0.200 410 Q C 1.936 177.968 176.000 0.054 0.000 0.975 410 Q CA 1.355 57.231 55.803 0.122 0.000 0.836 410 Q CB -0.604 28.246 28.738 0.185 0.000 0.896 410 Q HN 0.399 nan 8.270 nan 0.000 0.428 411 T N 1.020 115.554 114.554 -0.034 0.000 2.720 411 T HA -0.112 4.238 4.350 -0.001 0.000 0.268 411 T C 1.704 176.359 174.700 -0.074 0.000 1.037 411 T CA 1.151 63.178 62.100 -0.123 0.000 1.144 411 T CB -0.454 68.250 68.868 -0.273 0.000 0.864 411 T HN 0.243 nan 8.240 nan 0.000 0.444 412 F N 1.193 121.133 119.950 -0.016 0.000 2.216 412 F HA -0.041 4.485 4.527 -0.001 0.000 0.300 412 F C 2.727 178.528 175.800 0.001 0.000 1.085 412 F CA 0.372 58.350 58.000 -0.037 0.000 1.326 412 F CB -0.230 38.755 39.000 -0.025 0.000 1.027 412 F HN 0.157 nan 8.300 nan 0.000 0.497 413 A N -0.440 122.497 122.820 0.195 0.000 1.930 413 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 413 A C 2.153 179.797 177.584 0.099 0.000 1.175 413 A CA 1.094 53.203 52.037 0.121 0.000 0.627 413 A CB -0.438 18.615 19.000 0.088 0.000 0.815 413 A HN 0.256 nan 8.150 nan 0.000 0.443 414 Q N -0.566 119.286 119.800 0.087 0.000 2.083 414 Q HA -0.050 4.290 4.340 -0.001 0.000 0.198 414 Q C 2.124 178.200 176.000 0.127 0.000 0.969 414 Q CA 0.743 56.593 55.803 0.079 0.000 0.838 414 Q CB -0.436 28.320 28.738 0.030 0.000 0.900 414 Q HN 0.497 nan 8.270 nan 0.000 0.436 415 L N 1.069 122.360 121.223 0.114 0.000 2.017 415 L HA -0.205 4.135 4.340 -0.001 0.000 0.208 415 L C 1.984 178.980 176.870 0.209 0.000 1.073 415 L CA 1.924 56.852 54.840 0.147 0.000 0.745 415 L CB -1.185 40.921 42.059 0.077 0.000 0.894 415 L HN 0.233 nan 8.230 nan 0.000 0.432 416 D N -0.815 119.700 120.400 0.192 0.000 2.144 416 D HA -0.192 4.448 4.640 -0.001 0.000 0.199 416 D C 2.159 178.610 176.300 0.252 0.000 0.984 416 D CA 0.616 54.741 54.000 0.209 0.000 0.834 416 D CB 0.203 41.133 40.800 0.216 0.000 0.955 416 D HN 0.037 nan 8.370 nan 0.000 0.465 417 L N 0.147 121.499 121.223 0.215 0.000 2.056 417 L HA -0.052 4.288 4.340 -0.001 0.000 0.207 417 L C 1.932 178.937 176.870 0.225 0.000 1.078 417 L CA 1.364 56.319 54.840 0.191 0.000 0.749 417 L CB -0.791 41.325 42.059 0.095 0.000 0.901 417 L HN 0.388 nan 8.230 nan 0.000 0.433 418 W N -0.122 121.206 121.300 0.047 0.000 2.418 418 W HA -0.173 4.486 4.660 -0.001 0.000 0.292 418 W C 1.979 178.521 176.519 0.038 0.000 1.213 418 W CA 0.997 58.359 57.345 0.028 0.000 1.283 418 W CB -0.004 29.465 29.460 0.015 0.000 1.119 418 W HN 0.279 nan 8.180 nan 0.000 0.542 419 Q N -0.180 119.704 119.800 0.140 0.000 2.436 419 Q HA -0.076 4.263 4.340 -0.001 0.000 0.209 419 Q C 0.817 176.792 176.000 -0.043 0.000 0.965 419 Q CA 0.757 56.577 55.803 0.029 0.000 0.910 419 Q CB -0.030 28.784 28.738 0.127 0.000 0.980 419 Q HN 0.171 nan 8.270 nan 0.000 0.491 420 N N 0.185 118.876 118.700 -0.016 0.000 2.282 420 N HA 0.020 4.760 4.740 -0.001 0.000 0.240 420 N C 0.497 175.972 175.510 -0.059 0.000 1.182 420 N CA 0.106 53.128 53.050 -0.045 0.000 0.874 420 N CB 0.634 39.096 38.487 -0.042 0.000 1.126 420 N HN 0.308 nan 8.380 nan 0.000 0.516 421 K N -0.299 120.019 120.400 -0.137 0.000 2.217 421 K HA 0.009 4.329 4.320 -0.001 0.000 0.202 421 K C 0.114 176.627 176.600 -0.145 0.000 1.051 421 K CA 1.095 57.289 56.287 -0.155 0.000 0.952 421 K CB 0.208 32.514 32.500 -0.324 0.000 0.736 421 K HN -0.200 nan 8.250 nan 0.000 0.453 422 D N 1.584 121.888 120.400 -0.161 0.000 2.342 422 D HA 0.022 4.661 4.640 -0.001 0.000 0.221 422 D C 0.182 176.429 176.300 -0.088 0.000 1.101 422 D CA 0.435 54.361 54.000 -0.123 0.000 0.837 422 D CB 0.707 41.426 40.800 -0.136 0.000 0.938 422 D HN 0.470 nan 8.370 nan 0.000 0.508 423 T N -2.061 112.442 114.554 -0.085 0.000 2.905 423 T HA 0.347 4.696 4.350 -0.001 0.000 0.283 423 T C 0.329 174.988 174.700 -0.069 0.000 1.031 423 T CA -1.018 61.034 62.100 -0.080 0.000 1.002 423 T CB 1.192 69.999 68.868 -0.101 0.000 1.200 423 T HN 0.074 nan 8.240 nan 0.000 0.560 424 N N -0.814 117.842 118.700 -0.074 0.000 2.535 424 N HA 0.205 4.944 4.740 -0.001 0.000 0.294 424 N C 0.939 176.389 175.510 -0.100 0.000 1.408 424 N CA -0.792 52.226 53.050 -0.054 0.000 0.927 424 N CB 0.565 39.035 38.487 -0.028 0.000 1.276 424 N HN 0.573 nan 8.380 nan 0.000 0.505 425 K N 0.514 120.789 120.400 -0.208 0.000 2.167 425 K HA -0.022 4.297 4.320 -0.001 0.000 0.203 425 K C -0.493 175.779 176.600 -0.546 0.000 1.052 425 K CA 0.772 56.812 56.287 -0.411 0.000 0.956 425 K CB 0.185 32.310 32.500 -0.625 0.000 0.735 425 K HN 0.296 nan 8.250 nan 0.000 0.451 426 Y N 1.168 121.351 120.300 -0.196 0.000 2.364 426 Y HA 0.254 4.804 4.550 -0.001 0.000 0.340 426 Y C -0.055 175.847 175.900 0.003 0.000 0.975 426 Y CA -1.258 56.656 58.100 -0.311 0.000 1.089 426 Y CB 2.006 40.248 38.460 -0.363 0.000 1.192 426 Y HN -0.013 nan 8.280 nan 0.000 0.454 427 E N 0.883 121.333 120.200 0.417 0.000 2.803 427 E HA 0.242 4.591 4.350 -0.001 0.000 0.250 427 E C -0.659 176.150 176.600 0.348 0.000 1.102 427 E CA -1.080 55.516 56.400 0.327 0.000 1.017 427 E CB 0.555 30.425 29.700 0.283 0.000 1.346 427 E HN 0.486 nan 8.360 nan 0.000 0.532 428 N N 1.622 120.452 118.700 0.216 0.000 3.254 428 N HA 0.123 4.863 4.740 -0.001 0.000 0.308 428 N C -1.039 174.536 175.510 0.109 0.000 1.281 428 N CA 0.369 53.515 53.050 0.160 0.000 1.212 428 N CB -0.044 38.498 38.487 0.092 0.000 1.478 428 N HN 0.225 nan 8.380 nan 0.000 0.548 429 K N -1.117 119.379 120.400 0.159 0.000 2.399 429 K HA 0.522 4.842 4.320 -0.001 0.000 0.260 429 K C -0.815 175.751 176.600 -0.058 0.000 1.049 429 K CA -0.940 55.321 56.287 -0.044 0.000 0.890 429 K CB 1.687 34.035 32.500 -0.253 0.000 1.430 429 K HN -0.225 nan 8.250 nan 0.000 0.459 430 V N 2.235 122.034 119.914 -0.192 0.000 2.383 430 V HA 0.305 4.424 4.120 -0.001 0.000 0.275 430 V C -1.089 174.873 176.094 -0.221 0.000 1.036 430 V CA -0.363 61.876 62.300 -0.101 0.000 0.889 430 V CB -0.100 31.679 31.823 -0.074 0.000 0.985 430 V HN 0.509 nan 8.190 nan 0.000 0.459 431 Y N 4.475 124.776 120.300 0.002 0.000 2.621 431 Y HA 0.769 5.318 4.550 -0.001 0.000 0.334 431 Y C -0.255 175.659 175.900 0.024 0.000 1.074 431 Y CA -1.162 56.962 58.100 0.038 0.000 1.149 431 Y CB 1.541 40.049 38.460 0.080 0.000 1.302 431 Y HN 0.348 nan 8.280 nan 0.000 0.501 432 L N 1.211 122.577 121.223 0.238 0.000 2.354 432 L HA 0.469 4.809 4.340 -0.001 0.000 0.269 432 L C -0.780 176.178 176.870 0.147 0.000 1.005 432 L CA -0.639 54.285 54.840 0.140 0.000 0.819 432 L CB 1.617 43.733 42.059 0.094 0.000 1.311 432 L HN 0.448 nan 8.230 nan 0.000 0.423 433 L N 4.666 125.946 121.223 0.094 0.000 2.456 433 L HA 0.230 4.569 4.340 -0.001 0.000 0.272 433 L C -1.619 175.275 176.870 0.039 0.000 1.189 433 L CA -1.443 53.438 54.840 0.068 0.000 0.846 433 L CB 0.179 42.261 42.059 0.038 0.000 1.111 433 L HN 0.461 nan 8.230 nan 0.000 0.475 434 P HA -0.022 nan 4.420 nan 0.000 0.268 434 P C 0.093 177.365 177.300 -0.047 0.000 1.208 434 P CA -0.402 62.719 63.100 0.036 0.000 0.777 434 P CB 0.858 32.639 31.700 0.135 0.000 0.875 435 K N 1.210 121.630 120.400 0.034 0.000 2.063 435 K HA -0.181 4.138 4.320 -0.001 0.000 0.208 435 K C 2.095 178.682 176.600 -0.022 0.000 1.048 435 K CA 1.736 58.038 56.287 0.026 0.000 0.928 435 K CB -0.986 31.557 32.500 0.072 0.000 0.713 435 K HN 0.699 nan 8.250 nan 0.000 0.442 436 H N 0.143 119.191 119.070 -0.037 0.000 2.422 436 H HA -0.089 4.467 4.556 -0.001 0.000 0.298 436 H C 2.059 177.338 175.328 -0.082 0.000 1.098 436 H CA 1.085 57.094 56.048 -0.065 0.000 1.315 436 H CB -0.599 29.116 29.762 -0.080 0.000 1.382 436 H HN 0.125 nan 8.280 nan 0.000 0.523 437 L N 0.463 121.171 121.223 -0.859 0.000 2.093 437 L HA -0.134 4.206 4.340 -0.001 0.000 0.208 437 L C 2.440 179.165 176.870 -0.241 0.000 1.085 437 L CA 1.198 55.661 54.840 -0.628 0.000 0.755 437 L CB -0.339 41.355 42.059 -0.607 0.000 0.904 437 L HN 0.188 nan 8.230 nan 0.000 0.435 438 D N 0.222 120.531 120.400 -0.151 0.000 2.097 438 D HA -0.180 4.459 4.640 -0.001 0.000 0.195 438 D C 2.111 178.403 176.300 -0.014 0.000 0.989 438 D CA 1.193 55.156 54.000 -0.063 0.000 0.827 438 D CB 0.109 40.862 40.800 -0.078 0.000 0.966 438 D HN 0.358 nan 8.370 nan 0.000 0.456 439 E N 0.308 120.507 120.200 -0.001 0.000 2.150 439 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 439 E C 1.994 178.622 176.600 0.047 0.000 0.985 439 E CA 0.523 56.969 56.400 0.076 0.000 0.814 439 E CB 0.084 29.852 29.700 0.113 0.000 0.752 439 E HN 0.201 nan 8.360 nan 0.000 0.466 440 K N 1.055 121.421 120.400 -0.057 0.000 2.002 440 K HA -0.147 4.173 4.320 -0.001 0.000 0.209 440 K C 2.165 178.568 176.600 -0.329 0.000 1.048 440 K CA 1.163 57.335 56.287 -0.193 0.000 0.930 440 K CB -0.013 32.327 32.500 -0.266 0.000 0.714 440 K HN -0.054 nan 8.250 nan 0.000 0.438 441 V N 1.420 121.270 119.914 -0.107 0.000 2.282 441 V HA -0.306 3.814 4.120 -0.001 0.000 0.249 441 V C 2.456 178.743 176.094 0.322 0.000 1.057 441 V CA 2.134 64.488 62.300 0.089 0.000 1.032 441 V CB -0.861 31.116 31.823 0.256 0.000 0.645 441 V HN 0.515 nan 8.190 nan 0.000 0.447 442 A N -0.514 122.502 122.820 0.327 0.000 1.908 442 A HA -0.204 4.115 4.320 -0.001 0.000 0.218 442 A C 2.251 180.074 177.584 0.399 0.000 1.181 442 A CA 2.004 54.318 52.037 0.462 0.000 0.627 442 A CB -0.635 18.568 19.000 0.338 0.000 0.818 442 A HN 0.498 nan 8.150 nan 0.000 0.445 443 L N -1.504 119.870 121.223 0.252 0.000 2.079 443 L HA -0.235 4.105 4.340 -0.001 0.000 0.210 443 L C 2.482 179.556 176.870 0.339 0.000 1.081 443 L CA 1.247 56.238 54.840 0.251 0.000 0.752 443 L CB -0.526 41.650 42.059 0.195 0.000 0.896 443 L HN 0.468 nan 8.230 nan 0.000 0.433 444 Y N -0.861 119.530 120.300 0.152 0.000 2.403 444 Y HA -0.204 4.345 4.550 -0.001 0.000 0.291 444 Y C 2.518 178.295 175.900 -0.205 0.000 1.143 444 Y CA 0.713 58.787 58.100 -0.043 0.000 1.257 444 Y CB -0.814 37.557 38.460 -0.149 0.000 0.984 444 Y HN 0.360 nan 8.280 nan 0.000 0.550 445 H N -2.081 117.111 119.070 0.203 0.000 2.551 445 H HA 0.072 4.628 4.556 -0.001 0.000 0.271 445 H C 1.788 177.257 175.328 0.235 0.000 0.984 445 H CA -0.007 56.121 56.048 0.133 0.000 1.164 445 H CB 0.371 30.134 29.762 0.002 0.000 1.437 445 H HN 0.222 nan 8.280 nan 0.000 0.550 446 L N 1.452 122.854 121.223 0.298 0.000 2.017 446 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 446 L C 2.295 179.261 176.870 0.160 0.000 1.073 446 L CA 1.659 56.632 54.840 0.222 0.000 0.745 446 L CB -0.385 41.785 42.059 0.186 0.000 0.894 446 L HN 0.062 nan 8.230 nan 0.000 0.432 447 K N -0.630 119.847 120.400 0.129 0.000 2.032 447 K HA -0.253 4.067 4.320 -0.001 0.000 0.209 447 K C 2.123 178.776 176.600 0.088 0.000 1.048 447 K CA 1.529 57.868 56.287 0.087 0.000 0.927 447 K CB -0.199 32.336 32.500 0.058 0.000 0.712 447 K HN 0.005 nan 8.250 nan 0.000 0.441 448 K N 1.460 121.934 120.400 0.124 0.000 2.152 448 K HA -0.090 4.229 4.320 -0.001 0.000 0.206 448 K C 1.424 178.085 176.600 0.102 0.000 1.048 448 K CA 1.221 57.592 56.287 0.140 0.000 0.933 448 K CB -0.026 32.637 32.500 0.272 0.000 0.721 448 K HN 0.092 nan 8.250 nan 0.000 0.447 449 L N 0.643 121.941 121.223 0.125 0.000 2.592 449 L HA 0.121 4.461 4.340 -0.001 0.000 0.227 449 L C -0.152 176.731 176.870 0.021 0.000 1.127 449 L CA -0.118 54.748 54.840 0.043 0.000 0.884 449 L CB -0.345 41.765 42.059 0.085 0.000 1.065 449 L HN 0.261 nan 8.230 nan 0.000 0.457 450 N N 0.387 119.108 118.700 0.036 0.000 2.735 450 N HA -0.170 4.570 4.740 -0.001 0.000 0.248 450 N C 0.077 175.602 175.510 0.025 0.000 1.083 450 N CA 0.890 53.953 53.050 0.023 0.000 0.703 450 N CB -0.848 37.640 38.487 0.002 0.000 1.005 450 N HN 0.377 nan 8.380 nan 0.000 0.550 451 A N 0.171 123.018 122.820 0.045 0.000 2.249 451 A HA 0.559 4.878 4.320 -0.001 0.000 0.314 451 A C 0.329 177.941 177.584 0.048 0.000 1.290 451 A CA -0.269 51.794 52.037 0.043 0.000 0.893 451 A CB 0.857 19.892 19.000 0.059 0.000 1.165 451 A HN 0.122 nan 8.150 nan 0.000 0.530 452 S N 2.245 117.965 115.700 0.033 0.000 2.411 452 S HA 0.371 4.841 4.470 -0.001 0.000 0.294 452 S C -0.145 174.472 174.600 0.028 0.000 1.115 452 S CA -0.301 57.919 58.200 0.032 0.000 1.071 452 S CB 0.249 63.462 63.200 0.022 0.000 0.967 452 S HN 0.634 nan 8.310 nan 0.000 0.488 453 L N 4.020 125.265 121.223 0.037 0.000 2.395 453 L HA 0.368 4.708 4.340 -0.001 0.000 0.269 453 L C 0.500 177.374 176.870 0.008 0.000 1.133 453 L CA 0.531 55.384 54.840 0.023 0.000 0.812 453 L CB 0.905 42.991 42.059 0.044 0.000 1.125 453 L HN 0.482 nan 8.230 nan 0.000 0.452 454 T N 3.578 118.120 114.554 -0.020 0.000 2.882 454 T HA 0.275 4.625 4.350 -0.001 0.000 0.287 454 T C -0.331 174.356 174.700 -0.022 0.000 0.992 454 T CA -0.545 61.542 62.100 -0.020 0.000 1.076 454 T CB 0.749 69.598 68.868 -0.032 0.000 0.961 454 T HN 0.409 nan 8.240 nan 0.000 0.490 455 E N 2.108 122.311 120.200 0.005 0.000 2.229 455 E HA 0.211 4.561 4.350 -0.001 0.000 0.283 455 E C -0.455 176.160 176.600 0.025 0.000 1.030 455 E CA -0.650 55.767 56.400 0.028 0.000 0.836 455 E CB 1.230 30.954 29.700 0.040 0.000 1.068 455 E HN 0.317 nan 8.360 nan 0.000 0.401 456 L N 3.620 124.870 121.223 0.046 0.000 2.416 456 L HA 0.032 4.371 4.340 -0.001 0.000 0.272 456 L C 0.352 177.259 176.870 0.062 0.000 1.161 456 L CA 0.469 55.343 54.840 0.057 0.000 0.845 456 L CB 0.515 42.645 42.059 0.117 0.000 1.119 456 L HN 0.429 nan 8.230 nan 0.000 0.464 457 D N 1.251 121.680 120.400 0.048 0.000 2.383 457 D HA 0.073 4.713 4.640 -0.001 0.000 0.248 457 D C 0.666 176.997 176.300 0.053 0.000 1.170 457 D CA -0.165 53.860 54.000 0.042 0.000 0.977 457 D CB 0.937 41.752 40.800 0.025 0.000 1.120 457 D HN 0.587 nan 8.370 nan 0.000 0.481 458 D N -0.153 120.273 120.400 0.043 0.000 2.097 458 D HA -0.141 4.498 4.640 -0.001 0.000 0.195 458 D C 1.405 177.738 176.300 0.055 0.000 0.989 458 D CA 0.950 54.978 54.000 0.047 0.000 0.827 458 D CB -0.096 40.725 40.800 0.035 0.000 0.966 458 D HN 0.347 nan 8.370 nan 0.000 0.456 459 N N 0.784 119.512 118.700 0.046 0.000 2.120 459 N HA -0.130 4.609 4.740 -0.001 0.000 0.188 459 N C 1.841 177.408 175.510 0.094 0.000 1.024 459 N CA 0.742 53.824 53.050 0.054 0.000 0.852 459 N CB -0.264 38.233 38.487 0.017 0.000 1.003 459 N HN 0.402 nan 8.380 nan 0.000 0.424 460 Q N 0.177 120.024 119.800 0.079 0.000 2.124 460 Q HA -0.060 4.279 4.340 -0.001 0.000 0.202 460 Q C 2.275 178.374 176.000 0.166 0.000 0.977 460 Q CA 1.057 56.932 55.803 0.120 0.000 0.850 460 Q CB -0.120 28.663 28.738 0.073 0.000 0.901 460 Q HN 0.412 nan 8.270 nan 0.000 0.429 461 C N 0.282 119.657 119.300 0.126 0.000 2.453 461 C HA -0.139 4.320 4.460 -0.001 0.000 0.277 461 C C 2.683 177.736 174.990 0.105 0.000 1.262 461 C CA 0.788 59.876 59.018 0.117 0.000 1.718 461 C CB -0.781 27.014 27.740 0.092 0.000 2.031 461 C HN 0.570 nan 8.230 nan 0.000 0.480 462 Q N -0.474 119.391 119.800 0.107 0.000 2.079 462 Q HA -0.207 4.133 4.340 -0.001 0.000 0.200 462 Q C 2.076 178.143 176.000 0.112 0.000 0.974 462 Q CA 1.599 57.457 55.803 0.091 0.000 0.840 462 Q CB -0.309 28.482 28.738 0.088 0.000 0.898 462 Q HN 0.671 nan 8.270 nan 0.000 0.430 463 F N 0.948 120.909 119.950 0.018 0.000 2.102 463 F HA -0.183 4.344 4.527 -0.001 0.000 0.298 463 F C 1.748 177.559 175.800 0.017 0.000 1.105 463 F CA 1.401 59.410 58.000 0.015 0.000 1.239 463 F CB -0.163 38.846 39.000 0.014 0.000 0.991 463 F HN 0.048 nan 8.300 nan 0.000 0.474 464 L N -0.233 121.018 121.223 0.047 0.000 2.313 464 L HA 0.111 4.450 4.340 -0.001 0.000 0.214 464 L C 1.527 178.359 176.870 -0.063 0.000 1.119 464 L CA 0.710 55.525 54.840 -0.042 0.000 0.809 464 L CB -1.140 40.974 42.059 0.092 0.000 0.933 464 L HN 0.419 nan 8.230 nan 0.000 0.449 465 G N 1.174 109.957 108.800 -0.029 0.000 2.272 465 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.280 465 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.280 465 G C -0.051 174.842 174.900 -0.011 0.000 1.067 465 G CA 0.334 45.417 45.100 -0.029 0.000 0.902 465 G HN 0.322 nan 8.290 nan 0.000 0.500 466 V N -3.513 116.412 119.914 0.019 0.000 3.160 466 V HA 0.789 4.909 4.120 -0.001 0.000 0.310 466 V C 0.238 176.338 176.094 0.010 0.000 1.181 466 V CA -1.463 60.841 62.300 0.007 0.000 1.047 466 V CB 2.050 33.900 31.823 0.046 0.000 1.068 466 V HN 0.341 nan 8.190 nan 0.000 0.441 467 N N 0.871 119.541 118.700 -0.049 0.000 2.524 467 N HA 0.203 4.942 4.740 -0.001 0.000 0.283 467 N C 0.614 176.122 175.510 -0.003 0.000 1.142 467 N CA -0.212 52.814 53.050 -0.040 0.000 0.984 467 N CB 1.780 40.216 38.487 -0.084 0.000 1.155 467 N HN 0.929 nan 8.380 nan 0.000 0.467 468 K N 0.908 121.344 120.400 0.060 0.000 2.360 468 K HA -0.018 4.302 4.320 -0.001 0.000 0.201 468 K C 0.786 177.491 176.600 0.175 0.000 1.046 468 K CA 1.042 57.417 56.287 0.148 0.000 0.940 468 K CB 0.212 32.775 32.500 0.106 0.000 0.748 468 K HN 0.397 nan 8.250 nan 0.000 0.465 469 S N -0.496 115.215 115.700 0.017 0.000 2.524 469 S HA 0.249 4.719 4.470 -0.001 0.000 0.215 469 S C 0.238 174.658 174.600 -0.301 0.000 0.986 469 S CA 0.114 58.308 58.200 -0.010 0.000 0.911 469 S CB 1.072 64.266 63.200 -0.010 0.000 0.805 469 S HN 0.633 nan 8.310 nan 0.000 0.501 470 G N 2.156 110.525 108.800 -0.719 0.000 2.655 470 G HA2 -0.061 3.898 3.960 -0.001 0.000 0.680 470 G HA3 -0.061 3.898 3.960 -0.001 0.000 0.680 470 G C -3.322 171.293 174.900 -0.474 0.000 1.302 470 G CA -1.368 43.032 45.100 -1.167 0.000 0.872 470 G HN 0.137 nan 8.290 nan 0.000 0.540 471 P HA 0.445 nan 4.420 nan 0.000 0.269 471 P C 0.313 177.343 177.300 -0.450 0.000 1.215 471 P CA -0.040 62.860 63.100 -0.333 0.000 0.780 471 P CB 0.137 31.783 31.700 -0.090 0.000 0.898 472 F N -0.528 119.431 119.950 0.014 0.000 2.731 472 F HA 0.185 4.712 4.527 -0.001 0.000 0.298 472 F C 1.250 176.979 175.800 -0.118 0.000 1.106 472 F CA 0.354 58.334 58.000 -0.034 0.000 1.329 472 F CB 0.274 39.262 39.000 -0.021 0.000 1.100 472 F HN 0.008 nan 8.300 nan 0.000 0.592 473 K N 0.368 120.775 120.400 0.012 0.000 2.352 473 K HA 0.455 4.775 4.320 -0.001 0.000 0.240 473 K C -0.009 176.561 176.600 -0.050 0.000 1.017 473 K CA -0.509 55.673 56.287 -0.175 0.000 0.851 473 K CB 1.655 33.881 32.500 -0.457 0.000 1.261 473 K HN -0.022 nan 8.250 nan 0.000 0.451 474 S N -0.071 115.609 115.700 -0.032 0.000 2.645 474 S HA 0.191 4.660 4.470 -0.001 0.000 0.266 474 S C 0.824 175.472 174.600 0.081 0.000 1.258 474 S CA -0.454 57.763 58.200 0.029 0.000 0.990 474 S CB 0.647 63.867 63.200 0.033 0.000 0.967 474 S HN 0.441 nan 8.310 nan 0.000 0.556 475 N N 0.955 119.700 118.700 0.073 0.000 2.364 475 N HA -0.084 4.655 4.740 -0.001 0.000 0.183 475 N C 0.903 176.472 175.510 0.098 0.000 1.022 475 N CA 1.118 54.223 53.050 0.091 0.000 0.883 475 N CB -0.323 38.203 38.487 0.066 0.000 0.965 475 N HN 0.674 nan 8.380 nan 0.000 0.438 476 E N -0.464 119.785 120.200 0.082 0.000 2.481 476 E HA -0.004 4.345 4.350 -0.001 0.000 0.195 476 E C -0.150 176.487 176.600 0.062 0.000 1.047 476 E CA -0.180 56.256 56.400 0.061 0.000 0.867 476 E CB -0.249 29.473 29.700 0.037 0.000 0.858 476 E HN 0.309 nan 8.360 nan 0.000 0.513 477 Y N 1.582 121.845 120.300 -0.062 0.000 2.717 477 Y HA -0.091 4.458 4.550 -0.001 0.000 0.330 477 Y C 1.047 176.874 175.900 -0.122 0.000 1.217 477 Y CA 0.491 58.489 58.100 -0.171 0.000 1.506 477 Y CB 0.482 38.724 38.460 -0.363 0.000 1.268 477 Y HN -0.110 nan 8.280 nan 0.000 0.561 478 R N 3.898 124.035 120.500 -0.604 0.000 2.300 478 R HA 0.030 4.369 4.340 -0.001 0.000 0.199 478 R C -0.455 175.732 176.300 -0.188 0.000 0.920 478 R CA 0.056 55.976 56.100 -0.299 0.000 1.046 478 R CB -0.155 29.991 30.300 -0.257 0.000 0.984 478 R HN 0.815 nan 8.270 nan 0.000 0.493 479 Y N 0.000 119.981 120.300 -0.532 0.000 2.660 479 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 479 Y CA 0.000 58.048 58.100 -0.087 0.000 1.940 479 Y CB 0.000 38.523 38.460 0.106 0.000 1.050 479 Y HN 0.000 nan 8.280 nan 0.000 0.758