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 1yv2_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYSWTGAL ITPCSPEEEK LPINPLSNSL LRYHNKVYCT TSKSASLRAK DATA SEQUENCE KVTFDRMQVL DAYYDSVLKD IKLAASKVSA RLLTLEEACQ LTPPHSARSK DATA SEQUENCE YGFGAKEVRS LSGRAVNHIK SVWKDLLEDS QTPIPTTIMA KNEVFCVDPT DATA SEQUENCE KGGKKAARLI VYPDLGVRVC EKMALYDVTQ KLPQAVMGAS YGFQYSPAQR DATA SEQUENCE VEFLLKAWAE KKDPMGFSYD TRCFDSTVTE RDIRTEESIY QACSLPEEAR DATA SEQUENCE TAIHSLTERL YVGGPMFNSK GQSCGYRRCR ASGVLTTSMG NTITCYVKAL DATA SEQUENCE AACKAAGIVA PTMLVcGDDL VVISESQGTE EDERNLRAFT EAMTRYSAPP DATA SEQUENCE GDPPRPEYDL ELITScSSNV SVALGPQGRR RYYLTRDPTT PIARAAWETV DATA SEQUENCE RHSPVNSWLG NIIQYAPTIW VRMVLMTHFF SILMAQDTLD QNLNFEMYGS DATA SEQUENCE VYSVSPLDLP AIIERLHGLD AFSLHTYTPH ELTRVASALR KLGAPPLRAW DATA SEQUENCE KSRARAVRAS LISRGGRAAV CGRYLFNWAV KTKLKLTPLP EARLLDLS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.556 174.600 -0.074 0.000 1.055 1 S CA 0.000 58.169 58.200 -0.051 0.000 1.107 1 S CB 0.000 63.181 63.200 -0.031 0.000 0.593 2 M N 3.572 123.119 119.600 -0.088 0.000 2.108 2 M HA 0.392 4.873 4.480 0.002 0.000 0.354 2 M C 1.495 177.668 176.300 -0.212 0.000 1.229 2 M CA -0.207 55.027 55.300 -0.111 0.000 1.081 2 M CB 0.691 33.259 32.600 -0.054 0.000 1.606 2 M HN 0.530 nan 8.290 nan 0.000 0.467 3 S N 3.867 119.361 115.700 -0.344 0.000 2.372 3 S HA -0.143 4.328 4.470 0.002 0.000 0.227 3 S C 0.224 174.442 174.600 -0.636 0.000 1.044 3 S CA 1.252 59.141 58.200 -0.519 0.000 1.050 3 S CB -0.275 62.571 63.200 -0.590 0.000 0.901 3 S HN 0.633 nan 8.310 nan 0.000 0.447 4 Y N -0.513 119.633 120.300 -0.256 0.000 2.615 4 Y HA 0.690 5.240 4.550 0.001 0.000 0.341 4 Y C -0.219 175.424 175.900 -0.428 0.000 1.089 4 Y CA -1.125 56.721 58.100 -0.422 0.000 1.049 4 Y CB 1.976 40.021 38.460 -0.693 0.000 1.296 4 Y HN -0.008 nan 8.280 nan 0.000 0.470 5 S N 0.520 115.976 115.700 -0.407 0.000 2.538 5 S HA 0.574 5.045 4.470 0.002 0.000 0.288 5 S C -1.888 172.434 174.600 -0.463 0.000 1.108 5 S CA -0.848 57.191 58.200 -0.268 0.000 0.971 5 S CB 0.812 63.947 63.200 -0.107 0.000 1.041 5 S HN 0.519 nan 8.310 nan 0.000 0.483 6 W N 0.818 122.143 121.300 0.043 0.000 2.736 6 W HA 0.387 5.048 4.660 0.001 0.000 0.335 6 W C 1.438 177.955 176.519 -0.002 0.000 1.059 6 W CA -0.818 56.534 57.345 0.011 0.000 1.226 6 W CB 0.941 30.397 29.460 -0.006 0.000 1.416 6 W HN 0.754 nan 8.180 nan 0.000 0.505 7 T N -2.175 112.507 114.554 0.213 0.000 2.978 7 T HA 0.289 4.640 4.350 0.002 0.000 0.262 7 T C 1.423 176.187 174.700 0.107 0.000 1.063 7 T CA 1.221 63.388 62.100 0.111 0.000 1.140 7 T CB -0.121 68.782 68.868 0.058 0.000 0.886 7 T HN 1.184 nan 8.240 nan 0.000 0.470 8 G N 1.046 109.922 108.800 0.127 0.000 2.421 8 G HA2 0.134 4.095 3.960 0.002 0.000 0.188 8 G HA3 0.134 4.095 3.960 0.002 0.000 0.188 8 G C 0.340 175.267 174.900 0.045 0.000 1.001 8 G CA -0.132 45.008 45.100 0.067 0.000 0.693 8 G HN 1.012 nan 8.290 nan 0.000 0.479 9 A N 1.147 124.006 122.820 0.065 0.000 2.498 9 A HA 0.623 4.944 4.320 0.002 0.000 0.239 9 A C 0.468 178.076 177.584 0.040 0.000 1.068 9 A CA 0.302 52.370 52.037 0.052 0.000 0.766 9 A CB 0.320 19.358 19.000 0.063 0.000 1.003 9 A HN 0.778 nan 8.150 nan 0.000 0.497 10 L N 1.649 122.883 121.223 0.019 0.000 2.439 10 L HA 0.307 4.648 4.340 0.002 0.000 0.261 10 L C 0.468 177.348 176.870 0.016 0.000 1.153 10 L CA 0.120 54.956 54.840 -0.006 0.000 0.808 10 L CB 0.627 42.681 42.059 -0.009 0.000 1.126 10 L HN 0.566 nan 8.230 nan 0.000 0.460 11 I N 1.530 122.095 120.570 -0.008 0.000 2.291 11 I HA 0.153 4.325 4.170 0.002 0.000 0.292 11 I C 0.271 176.403 176.117 0.024 0.000 1.064 11 I CA -0.264 61.049 61.300 0.022 0.000 1.269 11 I CB 0.425 38.424 38.000 -0.002 0.000 1.418 11 I HN 0.664 nan 8.210 nan 0.000 0.485 12 T N 4.964 119.544 114.554 0.043 0.000 2.934 12 T HA 0.560 4.912 4.350 0.002 0.000 0.283 12 T C -2.379 172.353 174.700 0.052 0.000 1.005 12 T CA -1.879 60.246 62.100 0.042 0.000 1.041 12 T CB 1.641 70.535 68.868 0.043 0.000 1.042 12 T HN 0.260 nan 8.240 nan 0.000 0.505 13 P HA 0.315 nan 4.420 nan 0.000 0.278 13 P C -0.030 177.304 177.300 0.057 0.000 1.266 13 P CA -0.722 62.412 63.100 0.056 0.000 0.807 13 P CB 1.312 33.043 31.700 0.052 0.000 1.094 14 C N -0.207 119.131 119.300 0.062 0.000 3.065 14 C HA 0.326 4.787 4.460 0.002 0.000 0.285 14 C C 0.588 175.608 174.990 0.051 0.000 1.257 14 C CA 0.354 59.407 59.018 0.058 0.000 1.691 14 C CB -0.784 26.997 27.740 0.068 0.000 2.089 14 C HN 0.599 nan 8.230 nan 0.000 0.630 15 S N 0.868 116.600 115.700 0.054 0.000 2.638 15 S HA 0.538 5.009 4.470 0.002 0.000 0.274 15 S C -2.950 171.684 174.600 0.055 0.000 1.157 15 S CA -0.467 57.764 58.200 0.052 0.000 0.826 15 S CB 1.617 64.850 63.200 0.056 0.000 1.139 15 S HN 0.251 nan 8.310 nan 0.000 0.474 16 P HA 0.276 nan 4.420 nan 0.000 0.276 16 P C -1.075 176.270 177.300 0.075 0.000 1.243 16 P CA -0.066 63.069 63.100 0.058 0.000 0.768 16 P CB 0.380 32.111 31.700 0.052 0.000 0.856 17 E N 1.554 121.802 120.200 0.080 0.000 2.249 17 E HA 0.209 4.560 4.350 0.002 0.000 0.280 17 E C -0.181 176.495 176.600 0.128 0.000 1.016 17 E CA -0.558 55.903 56.400 0.102 0.000 0.830 17 E CB 1.286 31.040 29.700 0.089 0.000 1.081 17 E HN 0.470 nan 8.360 nan 0.000 0.395 18 E N 2.638 122.948 120.200 0.184 0.000 2.156 18 E HA 0.073 4.424 4.350 0.002 0.000 0.279 18 E C -0.115 176.683 176.600 0.329 0.000 0.965 18 E CA -0.103 56.441 56.400 0.239 0.000 0.789 18 E CB 0.809 30.668 29.700 0.265 0.000 1.098 18 E HN 0.510 nan 8.360 nan 0.000 0.397 19 E N 3.549 123.918 120.200 0.282 0.000 2.364 19 E HA 0.090 4.441 4.350 0.002 0.000 0.196 19 E C 0.007 176.855 176.600 0.413 0.000 0.990 19 E CA 0.263 56.839 56.400 0.293 0.000 0.886 19 E CB 0.641 30.457 29.700 0.193 0.000 0.866 19 E HN 0.248 nan 8.360 nan 0.000 0.493 20 K N 0.848 121.483 120.400 0.392 0.000 2.527 20 K HA 0.350 4.672 4.320 0.002 0.000 0.260 20 K C -1.339 175.348 176.600 0.146 0.000 0.937 20 K CA -0.526 55.975 56.287 0.357 0.000 0.826 20 K CB 1.679 34.317 32.500 0.230 0.000 1.359 20 K HN -0.113 nan 8.250 nan 0.000 0.434 21 L N 4.434 125.672 121.223 0.024 0.000 2.418 21 L HA 0.310 4.651 4.340 0.002 0.000 0.265 21 L C -1.206 175.643 176.870 -0.036 0.000 1.143 21 L CA -1.591 53.136 54.840 -0.187 0.000 0.809 21 L CB 0.855 42.745 42.059 -0.282 0.000 1.124 21 L HN 0.676 nan 8.230 nan 0.000 0.456 22 P HA -0.025 nan 4.420 nan 0.000 0.218 22 P C 0.122 177.442 177.300 0.033 0.000 1.152 22 P CA 1.251 64.345 63.100 -0.010 0.000 0.826 22 P CB 1.042 32.718 31.700 -0.039 0.000 0.790 23 I N -0.557 120.035 120.570 0.036 0.000 2.692 23 I HA 0.336 4.507 4.170 0.002 0.000 0.293 23 I C -1.523 174.682 176.117 0.147 0.000 1.200 23 I CA -1.017 60.370 61.300 0.145 0.000 1.036 23 I CB 2.430 40.453 38.000 0.038 0.000 1.258 23 I HN -0.302 nan 8.210 nan 0.000 0.421 24 N N 8.890 127.755 118.700 0.274 0.000 2.609 24 N HA 0.385 5.126 4.740 0.002 0.000 0.234 24 N C -2.323 173.265 175.510 0.131 0.000 1.001 24 N CA -1.839 51.271 53.050 0.100 0.000 0.926 24 N CB 1.528 40.003 38.487 -0.021 0.000 1.130 24 N HN 0.357 nan 8.380 nan 0.000 0.510 25 P HA 0.097 nan 4.420 nan 0.000 0.235 25 P C 0.399 177.788 177.300 0.149 0.000 1.725 25 P CA 0.196 63.372 63.100 0.127 0.000 0.894 25 P CB 0.222 31.974 31.700 0.087 0.000 1.704 26 L N -0.381 120.893 121.223 0.086 0.000 3.048 26 L HA 0.135 4.476 4.340 0.002 0.000 0.278 26 L C 1.214 178.142 176.870 0.096 0.000 1.057 26 L CA 0.470 55.348 54.840 0.062 0.000 1.073 26 L CB 0.078 42.038 42.059 -0.165 0.000 1.802 26 L HN -0.119 nan 8.230 nan 0.000 0.562 27 S N -0.248 115.460 115.700 0.013 0.000 2.618 27 S HA 0.187 4.658 4.470 0.002 0.000 0.242 27 S C 0.215 174.761 174.600 -0.090 0.000 0.972 27 S CA -0.569 57.619 58.200 -0.021 0.000 1.004 27 S CB -0.666 62.492 63.200 -0.071 0.000 0.778 27 S HN 0.419 nan 8.310 nan 0.000 0.459 28 N N 1.080 119.775 118.700 -0.008 0.000 2.321 28 N HA 0.401 5.142 4.740 0.002 0.000 0.299 28 N C -1.872 173.643 175.510 0.008 0.000 1.048 28 N CA -0.115 52.967 53.050 0.054 0.000 0.836 28 N CB 2.254 40.880 38.487 0.233 0.000 1.269 28 N HN 0.180 nan 8.380 nan 0.000 0.486 29 S N 3.685 119.385 115.700 -0.001 0.000 2.614 29 S HA 0.296 4.768 4.470 0.002 0.000 0.275 29 S C 1.035 175.621 174.600 -0.023 0.000 1.161 29 S CA -0.543 57.628 58.200 -0.049 0.000 0.969 29 S CB 0.851 64.006 63.200 -0.076 0.000 1.059 29 S HN 0.531 nan 8.310 nan 0.000 0.482 30 L N 4.335 125.539 121.223 -0.032 0.000 2.403 30 L HA -0.284 4.057 4.340 0.002 0.000 0.237 30 L C 1.769 178.628 176.870 -0.018 0.000 1.138 30 L CA 2.493 57.318 54.840 -0.026 0.000 0.841 30 L CB -0.713 41.325 42.059 -0.034 0.000 0.979 30 L HN 0.859 nan 8.230 nan 0.000 0.435 31 L N -2.316 118.896 121.223 -0.020 0.000 2.607 31 L HA 0.110 4.451 4.340 0.002 0.000 0.228 31 L C 0.787 177.646 176.870 -0.019 0.000 1.123 31 L CA -0.166 54.664 54.840 -0.017 0.000 0.890 31 L CB 0.178 42.228 42.059 -0.015 0.000 1.103 31 L HN 0.150 nan 8.230 nan 0.000 0.468 32 R N 0.069 120.556 120.500 -0.022 0.000 2.412 32 R HA 0.252 4.593 4.340 0.002 0.000 0.304 32 R C -1.620 174.619 176.300 -0.101 0.000 1.066 32 R CA -0.528 55.535 56.100 -0.063 0.000 0.923 32 R CB 0.957 31.258 30.300 0.001 0.000 1.156 32 R HN -0.085 nan 8.270 nan 0.000 0.513 33 Y N 4.104 124.204 120.300 -0.334 0.000 2.393 33 Y HA 0.492 5.043 4.550 0.002 0.000 0.341 33 Y C -1.058 174.532 175.900 -0.516 0.000 0.988 33 Y CA -0.421 57.508 58.100 -0.285 0.000 1.078 33 Y CB 1.066 39.432 38.460 -0.157 0.000 1.203 33 Y HN 0.568 nan 8.280 nan 0.000 0.453 34 H N 3.561 122.134 119.070 -0.828 0.000 2.977 34 H HA 0.365 4.922 4.556 0.002 0.000 0.350 34 H C -1.355 173.566 175.328 -0.678 0.000 1.238 34 H CA -1.114 54.610 56.048 -0.541 0.000 1.124 34 H CB 2.283 31.912 29.762 -0.221 0.000 1.866 34 H HN 0.625 nan 8.280 nan 0.000 0.550 35 N N 0.639 119.274 118.700 -0.108 0.000 2.969 35 N HA 0.127 4.868 4.740 0.002 0.000 0.230 35 N C -0.835 174.720 175.510 0.074 0.000 1.397 35 N CA -0.135 52.895 53.050 -0.032 0.000 0.762 35 N CB 0.533 39.048 38.487 0.047 0.000 1.495 35 N HN 0.336 nan 8.380 nan 0.000 0.583 36 K N 0.232 120.676 120.400 0.073 0.000 2.358 36 K HA 0.326 4.647 4.320 0.002 0.000 0.197 36 K C -0.052 176.663 176.600 0.192 0.000 1.025 36 K CA -0.017 56.336 56.287 0.110 0.000 1.104 36 K CB 0.830 33.363 32.500 0.055 0.000 0.855 36 K HN 0.195 nan 8.250 nan 0.000 0.531 37 V N 2.009 122.038 119.914 0.192 0.000 2.775 37 V HA 0.189 4.310 4.120 0.002 0.000 0.299 37 V C -0.348 175.955 176.094 0.347 0.000 1.062 37 V CA -0.341 62.090 62.300 0.219 0.000 1.063 37 V CB 0.313 32.269 31.823 0.222 0.000 0.994 37 V HN 0.278 nan 8.190 nan 0.000 0.483 38 Y N 1.736 122.125 120.300 0.148 0.000 2.655 38 Y HA 0.763 5.314 4.550 0.001 0.000 0.336 38 Y C -0.748 175.099 175.900 -0.087 0.000 1.154 38 Y CA -1.562 56.612 58.100 0.123 0.000 1.055 38 Y CB 1.330 39.855 38.460 0.109 0.000 1.295 38 Y HN 0.642 nan 8.280 nan 0.000 0.465 39 C N 2.876 122.164 119.300 -0.020 0.000 2.441 39 C HA 0.742 5.203 4.460 0.002 0.000 0.318 39 C C 0.224 175.264 174.990 0.083 0.000 1.222 39 C CA 0.157 59.008 59.018 -0.279 0.000 1.474 39 C CB 0.318 27.701 27.740 -0.594 0.000 2.125 39 C HN 1.090 nan 8.230 nan 0.000 0.479 40 T N 3.260 117.874 114.554 0.099 0.000 2.900 40 T HA 0.606 4.957 4.350 0.002 0.000 0.307 40 T C 0.225 174.980 174.700 0.091 0.000 1.065 40 T CA 0.286 62.490 62.100 0.174 0.000 1.105 40 T CB 1.026 70.009 68.868 0.191 0.000 0.979 40 T HN 1.111 nan 8.240 nan 0.000 0.544 41 T N -1.701 112.907 114.554 0.090 0.000 2.754 41 T HA 0.447 4.798 4.350 0.002 0.000 0.296 41 T C 1.240 175.971 174.700 0.050 0.000 1.205 41 T CA -0.449 61.692 62.100 0.068 0.000 1.009 41 T CB 0.954 69.868 68.868 0.077 0.000 1.368 41 T HN 0.342 nan 8.240 nan 0.000 0.509 42 S N 0.183 115.909 115.700 0.043 0.000 2.392 42 S HA -0.144 4.327 4.470 0.002 0.000 0.232 42 S C 1.845 176.451 174.600 0.009 0.000 1.041 42 S CA 1.665 59.881 58.200 0.026 0.000 1.026 42 S CB -0.595 62.623 63.200 0.029 0.000 0.845 42 S HN 0.689 nan 8.310 nan 0.000 0.465 43 K N 1.151 121.561 120.400 0.015 0.000 2.228 43 K HA -0.110 4.211 4.320 0.002 0.000 0.205 43 K C 2.003 178.594 176.600 -0.015 0.000 1.045 43 K CA 1.598 57.886 56.287 0.001 0.000 0.931 43 K CB -0.253 32.254 32.500 0.011 0.000 0.727 43 K HN 0.533 nan 8.250 nan 0.000 0.458 44 S N -0.808 114.887 115.700 -0.009 0.000 2.557 44 S HA 0.263 4.734 4.470 0.002 0.000 0.223 44 S C 1.744 176.318 174.600 -0.043 0.000 0.969 44 S CA 0.132 58.317 58.200 -0.024 0.000 0.927 44 S CB 0.703 63.899 63.200 -0.007 0.000 0.806 44 S HN 0.234 nan 8.310 nan 0.000 0.489 45 A N 2.277 125.067 122.820 -0.048 0.000 1.940 45 A HA -0.019 4.302 4.320 0.002 0.000 0.219 45 A C 2.348 179.834 177.584 -0.163 0.000 1.176 45 A CA 1.884 53.872 52.037 -0.081 0.000 0.631 45 A CB -1.103 17.858 19.000 -0.065 0.000 0.814 45 A HN 0.557 nan 8.150 nan 0.000 0.446 46 S N -0.338 115.261 115.700 -0.167 0.000 2.402 46 S HA -0.024 4.447 4.470 0.002 0.000 0.229 46 S C 1.791 176.270 174.600 -0.201 0.000 1.021 46 S CA 1.133 59.192 58.200 -0.235 0.000 0.974 46 S CB -0.371 62.721 63.200 -0.180 0.000 0.800 46 S HN 0.511 nan 8.310 nan 0.000 0.484 47 L N 0.936 122.082 121.223 -0.127 0.000 2.017 47 L HA -0.124 4.218 4.340 0.002 0.000 0.208 47 L C 2.732 179.550 176.870 -0.086 0.000 1.073 47 L CA 1.265 56.050 54.840 -0.092 0.000 0.745 47 L CB -0.359 41.663 42.059 -0.063 0.000 0.894 47 L HN 0.191 nan 8.230 nan 0.000 0.432 48 R N 0.658 121.107 120.500 -0.084 0.000 2.080 48 R HA -0.173 4.168 4.340 0.002 0.000 0.236 48 R C 2.196 178.446 176.300 -0.084 0.000 1.137 48 R CA 1.946 58.013 56.100 -0.056 0.000 0.943 48 R CB -0.932 29.345 30.300 -0.040 0.000 0.846 48 R HN 0.325 nan 8.270 nan 0.000 0.431 49 A N 0.534 123.222 122.820 -0.220 0.000 1.917 49 A HA -0.234 4.088 4.320 0.002 0.000 0.219 49 A C 2.043 179.522 177.584 -0.175 0.000 1.182 49 A CA 2.223 54.036 52.037 -0.374 0.000 0.633 49 A CB -0.542 17.862 19.000 -0.994 0.000 0.819 49 A HN 0.297 nan 8.150 nan 0.000 0.448 50 K N 0.016 120.322 120.400 -0.157 0.000 2.057 50 K HA -0.041 4.280 4.320 0.002 0.000 0.207 50 K C 1.956 178.602 176.600 0.077 0.000 1.049 50 K CA 1.673 57.939 56.287 -0.036 0.000 0.931 50 K CB -0.273 32.193 32.500 -0.057 0.000 0.714 50 K HN 0.568 nan 8.250 nan 0.000 0.440 51 K N 0.104 120.541 120.400 0.061 0.000 2.032 51 K HA -0.104 4.218 4.320 0.002 0.000 0.209 51 K C 1.701 178.460 176.600 0.266 0.000 1.048 51 K CA 1.702 58.059 56.287 0.116 0.000 0.927 51 K CB -0.167 32.376 32.500 0.071 0.000 0.712 51 K HN 0.141 nan 8.250 nan 0.000 0.441 52 V N -1.472 118.602 119.914 0.267 0.000 3.573 52 V HA 0.034 4.155 4.120 0.002 0.000 0.270 52 V C 0.407 176.743 176.094 0.404 0.000 1.221 52 V CA 0.334 62.877 62.300 0.405 0.000 1.163 52 V CB -0.136 31.855 31.823 0.281 0.000 0.847 52 V HN -0.011 nan 8.190 nan 0.000 0.468 53 T N 4.447 119.240 114.554 0.398 0.000 2.762 53 T HA 0.700 5.052 4.350 0.002 0.000 0.303 53 T C -0.710 174.191 174.700 0.335 0.000 0.977 53 T CA -0.037 62.273 62.100 0.350 0.000 0.961 53 T CB 0.043 69.195 68.868 0.473 0.000 0.944 53 T HN 0.622 nan 8.240 nan 0.000 0.481 54 F N -0.042 120.016 119.950 0.180 0.000 2.773 54 F HA 0.628 5.156 4.527 0.002 0.000 0.314 54 F C -1.165 174.677 175.800 0.070 0.000 1.160 54 F CA -1.780 56.284 58.000 0.106 0.000 0.920 54 F CB 0.832 39.882 39.000 0.083 0.000 1.323 54 F HN 0.271 nan 8.300 nan 0.000 0.457 55 D N 0.741 121.307 120.400 0.278 0.000 2.264 55 D HA 0.463 5.104 4.640 0.002 0.000 0.250 55 D C -0.874 175.564 176.300 0.231 0.000 1.113 55 D CA -0.099 53.990 54.000 0.149 0.000 0.871 55 D CB 0.855 41.721 40.800 0.111 0.000 1.167 55 D HN 0.564 nan 8.370 nan 0.000 0.447 56 R N 3.116 123.679 120.500 0.104 0.000 2.294 56 R HA 0.389 4.730 4.340 0.002 0.000 0.319 56 R C -0.404 175.933 176.300 0.060 0.000 0.984 56 R CA -0.554 55.619 56.100 0.121 0.000 0.861 56 R CB 1.275 31.600 30.300 0.042 0.000 1.104 56 R HN 0.473 nan 8.270 nan 0.000 0.451 57 M N 3.231 122.869 119.600 0.063 0.000 2.072 57 M HA 0.311 4.792 4.480 0.002 0.000 0.331 57 M C -1.365 174.946 176.300 0.019 0.000 1.004 57 M CA -0.245 55.073 55.300 0.030 0.000 0.952 57 M CB 1.355 33.972 32.600 0.028 0.000 1.511 57 M HN 0.662 nan 8.290 nan 0.000 0.422 58 Q N 4.040 123.841 119.800 0.001 0.000 2.340 58 Q HA 0.681 5.022 4.340 0.002 0.000 0.268 58 Q C -2.102 173.887 176.000 -0.019 0.000 1.031 58 Q CA -0.520 55.279 55.803 -0.008 0.000 0.804 58 Q CB 2.588 31.307 28.738 -0.031 0.000 1.286 58 Q HN 0.670 nan 8.270 nan 0.000 0.448 59 V N 6.281 126.194 119.914 -0.001 0.000 2.567 59 V HA 0.455 4.577 4.120 0.002 0.000 0.298 59 V C -1.198 174.922 176.094 0.044 0.000 1.047 59 V CA -0.479 61.820 62.300 -0.001 0.000 0.880 59 V CB 1.446 33.271 31.823 0.003 0.000 1.009 59 V HN 0.835 nan 8.190 nan 0.000 0.429 60 L N 5.140 126.346 121.223 -0.027 0.000 2.472 60 L HA 0.802 5.143 4.340 0.002 0.000 0.256 60 L C -0.285 176.639 176.870 0.091 0.000 1.111 60 L CA -0.563 54.257 54.840 -0.032 0.000 0.800 60 L CB 1.418 43.266 42.059 -0.352 0.000 1.286 60 L HN 0.870 nan 8.230 nan 0.000 0.479 61 D N -1.678 118.822 120.400 0.167 0.000 2.677 61 D HA 0.322 4.963 4.640 0.002 0.000 0.298 61 D C 0.172 176.543 176.300 0.119 0.000 1.250 61 D CA -0.194 53.893 54.000 0.146 0.000 0.888 61 D CB 1.015 41.941 40.800 0.210 0.000 1.397 61 D HN 0.430 nan 8.370 nan 0.000 0.461 62 A N -0.808 122.008 122.820 -0.007 0.000 1.986 62 A HA -0.164 4.157 4.320 0.002 0.000 0.220 62 A C 1.845 179.398 177.584 -0.051 0.000 1.171 62 A CA 1.362 53.350 52.037 -0.081 0.000 0.640 62 A CB -1.357 17.518 19.000 -0.208 0.000 0.811 62 A HN 0.587 nan 8.150 nan 0.000 0.451 63 Y N -2.526 117.833 120.300 0.099 0.000 2.181 63 Y HA -0.246 4.305 4.550 0.002 0.000 0.288 63 Y C 2.388 178.313 175.900 0.042 0.000 1.146 63 Y CA 1.756 59.907 58.100 0.085 0.000 1.164 63 Y CB -0.489 38.059 38.460 0.147 0.000 0.982 63 Y HN 0.491 nan 8.280 nan 0.000 0.515 64 Y N 1.365 121.707 120.300 0.070 0.000 2.109 64 Y HA -0.272 4.279 4.550 0.002 0.000 0.285 64 Y C 2.038 177.883 175.900 -0.091 0.000 1.131 64 Y CA 1.812 59.817 58.100 -0.158 0.000 1.121 64 Y CB -0.583 37.661 38.460 -0.360 0.000 0.987 64 Y HN 0.077 nan 8.280 nan 0.000 0.495 65 D N -0.432 120.059 120.400 0.153 0.000 2.126 65 D HA -0.268 4.374 4.640 0.002 0.000 0.190 65 D C 2.427 178.695 176.300 -0.053 0.000 1.001 65 D CA 1.813 55.846 54.000 0.056 0.000 0.841 65 D CB -0.877 39.962 40.800 0.066 0.000 0.949 65 D HN 0.371 nan 8.370 nan 0.000 0.446 66 S N -0.323 115.358 115.700 -0.032 0.000 2.353 66 S HA -0.156 4.316 4.470 0.002 0.000 0.222 66 S C 2.182 176.740 174.600 -0.069 0.000 1.035 66 S CA 1.339 59.519 58.200 -0.034 0.000 1.025 66 S CB -0.426 62.776 63.200 0.002 0.000 0.902 66 S HN 0.089 nan 8.310 nan 0.000 0.440 67 V N 1.937 121.786 119.914 -0.109 0.000 2.343 67 V HA -0.127 3.994 4.120 0.002 0.000 0.247 67 V C 2.437 178.414 176.094 -0.194 0.000 1.051 67 V CA 1.839 64.048 62.300 -0.151 0.000 1.036 67 V CB -0.706 30.992 31.823 -0.208 0.000 0.654 67 V HN 0.522 nan 8.190 nan 0.000 0.451 68 L N 0.334 121.370 121.223 -0.312 0.000 2.083 68 L HA -0.169 4.172 4.340 0.002 0.000 0.209 68 L C 2.369 179.160 176.870 -0.131 0.000 1.083 68 L CA 2.121 56.793 54.840 -0.281 0.000 0.752 68 L CB -0.808 41.021 42.059 -0.384 0.000 0.899 68 L HN 0.256 nan 8.230 nan 0.000 0.433 69 K N -0.721 119.621 120.400 -0.098 0.000 2.057 69 K HA -0.199 4.122 4.320 0.002 0.000 0.207 69 K C 1.706 178.285 176.600 -0.035 0.000 1.049 69 K CA 1.794 58.050 56.287 -0.051 0.000 0.931 69 K CB -0.119 32.360 32.500 -0.036 0.000 0.714 69 K HN 0.360 nan 8.250 nan 0.000 0.440 70 D N 0.743 121.121 120.400 -0.036 0.000 2.117 70 D HA -0.157 4.484 4.640 0.002 0.000 0.197 70 D C 1.854 178.154 176.300 0.000 0.000 0.987 70 D CA 1.089 55.083 54.000 -0.011 0.000 0.829 70 D CB -0.102 40.695 40.800 -0.005 0.000 0.961 70 D HN 0.301 nan 8.370 nan 0.000 0.460 71 I N 0.478 121.043 120.570 -0.009 0.000 2.394 71 I HA -0.190 3.981 4.170 0.002 0.000 0.251 71 I C 2.068 178.184 176.117 -0.002 0.000 1.136 71 I CA 0.900 62.207 61.300 0.012 0.000 1.425 71 I CB -0.062 37.948 38.000 0.018 0.000 1.079 71 I HN -0.036 nan 8.210 nan 0.000 0.425 72 K N 0.548 120.938 120.400 -0.017 0.000 2.217 72 K HA -0.070 4.251 4.320 0.002 0.000 0.202 72 K C 2.123 178.722 176.600 -0.002 0.000 1.051 72 K CA 0.810 57.090 56.287 -0.011 0.000 0.952 72 K CB 0.069 32.558 32.500 -0.018 0.000 0.736 72 K HN 0.306 nan 8.250 nan 0.000 0.453 73 L N 0.561 121.783 121.223 -0.002 0.000 2.056 73 L HA -0.131 4.210 4.340 0.002 0.000 0.207 73 L C 2.328 179.200 176.870 0.004 0.000 1.078 73 L CA 1.110 55.951 54.840 0.001 0.000 0.749 73 L CB -0.356 41.704 42.059 0.002 0.000 0.901 73 L HN 0.158 nan 8.230 nan 0.000 0.433 74 A N -0.214 122.610 122.820 0.006 0.000 1.933 74 A HA -0.174 4.147 4.320 0.002 0.000 0.218 74 A C 2.379 179.963 177.584 -0.001 0.000 1.175 74 A CA 1.609 53.648 52.037 0.004 0.000 0.628 74 A CB -0.680 18.325 19.000 0.009 0.000 0.814 74 A HN 0.534 nan 8.150 nan 0.000 0.444 75 A N 0.308 123.130 122.820 0.003 0.000 2.015 75 A HA -0.024 4.297 4.320 0.002 0.000 0.219 75 A C 2.326 179.917 177.584 0.012 0.000 1.163 75 A CA 1.886 53.928 52.037 0.009 0.000 0.646 75 A CB -0.844 18.170 19.000 0.023 0.000 0.806 75 A HN 1.006 nan 8.150 nan 0.000 0.448 76 S N -1.014 114.691 115.700 0.010 0.000 2.547 76 S HA -0.011 4.460 4.470 0.002 0.000 0.235 76 S C 1.312 175.916 174.600 0.006 0.000 0.980 76 S CA 1.200 59.406 58.200 0.010 0.000 0.941 76 S CB -0.106 63.099 63.200 0.008 0.000 0.763 76 S HN 0.337 nan 8.310 nan 0.000 0.532 77 K N 0.917 121.318 120.400 0.002 0.000 2.404 77 K HA 0.391 4.712 4.320 0.002 0.000 0.194 77 K C -0.249 176.349 176.600 -0.004 0.000 1.023 77 K CA -0.061 56.226 56.287 -0.001 0.000 1.094 77 K CB 0.355 32.853 32.500 -0.003 0.000 0.841 77 K HN 0.303 nan 8.250 nan 0.000 0.523 78 V N 1.046 120.958 119.914 -0.004 0.000 2.630 78 V HA 0.425 4.546 4.120 0.002 0.000 0.305 78 V C -0.276 175.818 176.094 -0.000 0.000 1.046 78 V CA -0.883 61.412 62.300 -0.008 0.000 0.934 78 V CB 1.788 33.602 31.823 -0.016 0.000 1.003 78 V HN 0.223 nan 8.190 nan 0.000 0.451 79 S N 2.806 118.504 115.700 -0.003 0.000 2.521 79 S HA 0.946 5.417 4.470 0.002 0.000 0.295 79 S C -0.627 173.973 174.600 0.000 0.000 1.098 79 S CA -0.359 57.843 58.200 0.003 0.000 0.999 79 S CB 2.047 65.250 63.200 0.004 0.000 1.034 79 S HN 1.361 nan 8.310 nan 0.000 0.483 80 A N 2.446 125.271 122.820 0.008 0.000 2.515 80 A HA 0.936 5.257 4.320 0.002 0.000 0.296 80 A C -0.413 177.183 177.584 0.021 0.000 1.094 80 A CA -1.257 50.785 52.037 0.007 0.000 0.718 80 A CB 1.498 20.497 19.000 -0.002 0.000 1.307 80 A HN 1.128 nan 8.150 nan 0.000 0.408 81 R N 0.804 121.318 120.500 0.024 0.000 2.892 81 R HA 0.759 5.101 4.340 0.002 0.000 0.265 81 R C -1.240 175.082 176.300 0.036 0.000 1.025 81 R CA -0.815 55.302 56.100 0.028 0.000 0.982 81 R CB 0.668 30.978 30.300 0.016 0.000 1.185 81 R HN 0.416 nan 8.270 nan 0.000 0.484 82 L N 1.934 123.177 121.223 0.032 0.000 2.439 82 L HA 0.219 4.560 4.340 0.002 0.000 0.269 82 L C 0.149 176.999 176.870 -0.033 0.000 1.179 82 L CA -0.337 54.514 54.840 0.018 0.000 0.828 82 L CB 0.484 42.546 42.059 0.006 0.000 1.106 82 L HN 0.592 nan 8.230 nan 0.000 0.467 83 L N 1.862 123.047 121.223 -0.063 0.000 2.399 83 L HA 0.315 4.656 4.340 0.002 0.000 0.266 83 L C 0.745 177.512 176.870 -0.172 0.000 1.114 83 L CA 0.349 55.135 54.840 -0.089 0.000 0.804 83 L CB 1.316 43.327 42.059 -0.080 0.000 1.146 83 L HN 0.601 nan 8.230 nan 0.000 0.451 84 T N 2.702 117.165 114.554 -0.152 0.000 2.899 84 T HA 0.125 4.477 4.350 0.002 0.000 0.295 84 T C 1.375 175.951 174.700 -0.207 0.000 1.033 84 T CA -0.075 61.922 62.100 -0.172 0.000 1.084 84 T CB 0.462 69.255 68.868 -0.124 0.000 0.979 84 T HN 0.610 nan 8.240 nan 0.000 0.532 85 L N 2.830 123.914 121.223 -0.233 0.000 2.079 85 L HA -0.163 4.178 4.340 0.002 0.000 0.210 85 L C 2.215 178.988 176.870 -0.162 0.000 1.081 85 L CA 1.785 56.490 54.840 -0.225 0.000 0.752 85 L CB -0.131 41.797 42.059 -0.217 0.000 0.896 85 L HN 0.719 nan 8.230 nan 0.000 0.433 86 E N -0.034 120.082 120.200 -0.140 0.000 2.072 86 E HA -0.232 4.119 4.350 0.002 0.000 0.191 86 E C 2.017 178.544 176.600 -0.123 0.000 0.985 86 E CA 1.529 57.859 56.400 -0.116 0.000 0.801 86 E CB -0.161 29.480 29.700 -0.098 0.000 0.750 86 E HN 0.543 nan 8.360 nan 0.000 0.452 87 E N 0.602 120.722 120.200 -0.135 0.000 2.085 87 E HA -0.210 4.141 4.350 0.002 0.000 0.194 87 E C 2.121 178.607 176.600 -0.190 0.000 0.994 87 E CA 1.053 57.361 56.400 -0.153 0.000 0.801 87 E CB -0.210 29.402 29.700 -0.146 0.000 0.743 87 E HN 0.298 nan 8.360 nan 0.000 0.453 88 A N 0.790 123.500 122.820 -0.183 0.000 1.902 88 A HA -0.190 4.131 4.320 0.002 0.000 0.217 88 A C 2.440 179.943 177.584 -0.136 0.000 1.181 88 A CA 1.218 53.149 52.037 -0.177 0.000 0.623 88 A CB -0.837 18.075 19.000 -0.147 0.000 0.818 88 A HN 0.364 nan 8.150 nan 0.000 0.443 89 C N -1.417 117.814 119.300 -0.114 0.000 2.429 89 C HA -0.090 4.371 4.460 0.002 0.000 0.277 89 C C 2.778 177.713 174.990 -0.092 0.000 1.262 89 C CA 1.360 60.328 59.018 -0.083 0.000 1.733 89 C CB -1.126 26.565 27.740 -0.082 0.000 2.010 89 C HN 0.650 nan 8.230 nan 0.000 0.483 90 Q N 0.265 119.996 119.800 -0.114 0.000 2.291 90 Q HA 0.068 4.409 4.340 0.002 0.000 0.205 90 Q C 1.783 177.701 176.000 -0.138 0.000 0.970 90 Q CA 1.035 56.769 55.803 -0.116 0.000 0.876 90 Q CB -0.313 28.356 28.738 -0.116 0.000 0.935 90 Q HN 0.664 nan 8.270 nan 0.000 0.455 91 L N -0.510 120.609 121.223 -0.174 0.000 2.591 91 L HA 0.107 4.448 4.340 0.002 0.000 0.228 91 L C 0.192 176.986 176.870 -0.126 0.000 1.133 91 L CA 0.012 54.729 54.840 -0.205 0.000 0.880 91 L CB 0.136 41.972 42.059 -0.371 0.000 1.033 91 L HN -0.085 nan 8.230 nan 0.000 0.450 92 T N 3.178 117.679 114.554 -0.089 0.000 2.752 92 T HA 0.158 4.509 4.350 0.002 0.000 0.295 92 T C -2.145 172.523 174.700 -0.054 0.000 0.923 92 T CA -1.027 61.045 62.100 -0.045 0.000 1.112 92 T CB 0.600 69.458 68.868 -0.016 0.000 0.884 92 T HN 0.002 nan 8.240 nan 0.000 0.525 93 P HA 0.058 nan 4.420 nan 0.000 0.268 93 P C -1.713 175.551 177.300 -0.060 0.000 1.208 93 P CA -1.339 61.729 63.100 -0.052 0.000 0.777 93 P CB 0.272 31.958 31.700 -0.022 0.000 0.875 94 P HA -0.174 nan 4.420 nan 0.000 0.217 94 P C 0.431 177.513 177.300 -0.364 0.000 1.148 94 P CA 1.962 64.942 63.100 -0.201 0.000 0.828 94 P CB -0.168 31.432 31.700 -0.167 0.000 0.783 95 H N -1.294 117.766 119.070 -0.015 0.000 2.575 95 H HA 0.204 4.761 4.556 0.001 0.000 0.256 95 H C 0.492 175.813 175.328 -0.011 0.000 1.162 95 H CA -0.347 55.697 56.048 -0.007 0.000 0.969 95 H CB -0.054 29.706 29.762 -0.004 0.000 1.796 95 H HN 0.095 nan 8.280 nan 0.000 0.607 96 S N 0.835 116.565 115.700 0.049 0.000 2.568 96 S HA 0.336 4.807 4.470 0.002 0.000 0.282 96 S C 0.933 175.541 174.600 0.013 0.000 1.338 96 S CA -0.486 57.724 58.200 0.017 0.000 1.045 96 S CB 0.875 64.079 63.200 0.005 0.000 0.873 96 S HN 0.452 nan 8.310 nan 0.000 0.516 97 A N 3.819 126.625 122.820 -0.023 0.000 2.592 97 A HA 0.155 4.476 4.320 0.002 0.000 0.250 97 A C 1.052 178.645 177.584 0.015 0.000 1.017 97 A CA 0.155 52.191 52.037 -0.001 0.000 0.794 97 A CB -0.537 18.450 19.000 -0.021 0.000 0.917 97 A HN 1.021 nan 8.150 nan 0.000 0.515 98 R N 2.581 123.079 120.500 -0.003 0.000 2.863 98 R HA 0.412 4.753 4.340 0.002 0.000 0.273 98 R C 0.559 176.777 176.300 -0.137 0.000 1.057 98 R CA 0.207 56.265 56.100 -0.070 0.000 1.191 98 R CB 0.230 30.488 30.300 -0.070 0.000 1.104 98 R HN 0.560 nan 8.270 nan 0.000 0.519 99 S N -0.927 114.555 115.700 -0.364 0.000 2.669 99 S HA 0.114 4.585 4.470 0.002 0.000 0.270 99 S C 0.536 174.921 174.600 -0.358 0.000 1.225 99 S CA -0.711 57.233 58.200 -0.427 0.000 0.991 99 S CB 0.762 63.349 63.200 -1.021 0.000 0.987 99 S HN 0.760 nan 8.310 nan 0.000 0.552 100 K N 0.508 120.705 120.400 -0.338 0.000 2.374 100 K HA 0.146 4.467 4.320 0.002 0.000 0.196 100 K C -0.096 176.159 176.600 -0.575 0.000 1.023 100 K CA 0.391 56.429 56.287 -0.415 0.000 1.103 100 K CB -0.128 32.101 32.500 -0.452 0.000 0.848 100 K HN 0.575 nan 8.250 nan 0.000 0.528 101 Y N 1.327 121.411 120.300 -0.360 0.000 2.583 101 Y HA 0.265 4.817 4.550 0.003 0.000 0.294 101 Y C 1.057 176.891 175.900 -0.110 0.000 1.170 101 Y CA -0.002 57.926 58.100 -0.287 0.000 1.265 101 Y CB 0.844 38.984 38.460 -0.533 0.000 1.119 101 Y HN 0.377 nan 8.280 nan 0.000 0.522 102 G N 0.354 109.118 108.800 -0.061 0.000 2.140 102 G HA2 -0.238 3.724 3.960 0.002 0.000 0.211 102 G HA3 -0.238 3.724 3.960 0.002 0.000 0.211 102 G C -0.334 174.698 174.900 0.220 0.000 1.013 102 G CA 0.086 45.233 45.100 0.078 0.000 0.705 102 G HN 0.412 nan 8.290 nan 0.000 0.508 103 F N -2.597 117.354 119.950 0.002 0.000 2.741 103 F HA 0.817 5.343 4.527 -0.003 0.000 0.311 103 F C 0.204 176.015 175.800 0.019 0.000 1.149 103 F CA -0.873 57.133 58.000 0.011 0.000 0.930 103 F CB 0.525 39.534 39.000 0.015 0.000 1.312 103 F HN 0.629 nan 8.300 nan 0.000 0.450 104 G N -0.344 108.582 108.800 0.209 0.000 3.105 104 G HA2 0.596 4.557 3.960 0.002 0.000 0.277 104 G HA3 0.596 4.557 3.960 0.002 0.000 0.277 104 G C 0.268 175.266 174.900 0.162 0.000 1.375 104 G CA -0.589 44.571 45.100 0.098 0.000 0.962 104 G HN 1.222 nan 8.290 nan 0.000 0.541 105 A N -0.254 122.608 122.820 0.070 0.000 1.892 105 A HA -0.104 4.217 4.320 0.002 0.000 0.218 105 A C 2.233 179.823 177.584 0.010 0.000 1.188 105 A CA 2.404 54.462 52.037 0.035 0.000 0.631 105 A CB -0.647 18.331 19.000 -0.036 0.000 0.822 105 A HN 0.583 nan 8.150 nan 0.000 0.447 106 K N -0.509 119.879 120.400 -0.020 0.000 2.034 106 K HA -0.274 4.047 4.320 0.002 0.000 0.214 106 K C 1.898 178.499 176.600 0.002 0.000 1.051 106 K CA 2.279 58.547 56.287 -0.031 0.000 0.931 106 K CB -0.219 32.267 32.500 -0.023 0.000 0.715 106 K HN 0.507 nan 8.250 nan 0.000 0.446 107 E N -0.048 120.182 120.200 0.051 0.000 2.150 107 E HA -0.100 4.251 4.350 0.002 0.000 0.193 107 E C 1.904 178.502 176.600 -0.004 0.000 0.985 107 E CA 0.753 57.175 56.400 0.036 0.000 0.814 107 E CB 0.032 29.785 29.700 0.088 0.000 0.752 107 E HN 0.092 nan 8.360 nan 0.000 0.466 108 V N 0.817 120.756 119.914 0.043 0.000 2.379 108 V HA -0.194 3.927 4.120 0.002 0.000 0.245 108 V C 2.048 178.125 176.094 -0.029 0.000 1.044 108 V CA 1.645 63.948 62.300 0.005 0.000 1.036 108 V CB -0.344 31.533 31.823 0.090 0.000 0.664 108 V HN 0.206 nan 8.190 nan 0.000 0.453 109 R N 0.936 121.420 120.500 -0.027 0.000 2.148 109 R HA -0.082 4.259 4.340 0.002 0.000 0.227 109 R C 2.192 178.460 176.300 -0.053 0.000 1.103 109 R CA 1.611 57.681 56.100 -0.050 0.000 0.983 109 R CB -0.404 29.860 30.300 -0.060 0.000 0.874 109 R HN 0.658 nan 8.270 nan 0.000 0.451 110 S N 0.261 115.933 115.700 -0.046 0.000 2.556 110 S HA 0.155 4.626 4.470 0.002 0.000 0.216 110 S C 0.774 175.341 174.600 -0.053 0.000 0.970 110 S CA -0.388 57.785 58.200 -0.046 0.000 0.912 110 S CB -0.094 63.084 63.200 -0.037 0.000 0.790 110 S HN 0.311 nan 8.310 nan 0.000 0.504 111 L N 1.936 123.120 121.223 -0.065 0.000 3.597 111 L HA -0.174 4.167 4.340 0.002 0.000 0.440 111 L C 0.585 177.405 176.870 -0.084 0.000 1.277 111 L CA 0.233 55.024 54.840 -0.081 0.000 0.852 111 L CB -2.885 39.129 42.059 -0.075 0.000 1.708 111 L HN 0.656 nan 8.230 nan 0.000 0.885 112 S N -0.862 114.786 115.700 -0.087 0.000 2.579 112 S HA 0.388 4.859 4.470 0.002 0.000 0.275 112 S C 1.603 176.139 174.600 -0.106 0.000 1.345 112 S CA -0.021 58.132 58.200 -0.078 0.000 1.031 112 S CB 1.712 64.875 63.200 -0.061 0.000 0.892 112 S HN 0.408 nan 8.310 nan 0.000 0.529 113 G N 1.693 110.446 108.800 -0.078 0.000 2.491 113 G HA2 -0.284 3.677 3.960 0.002 0.000 0.218 113 G HA3 -0.284 3.677 3.960 0.002 0.000 0.218 113 G C 1.432 176.269 174.900 -0.105 0.000 1.180 113 G CA 0.977 46.031 45.100 -0.078 0.000 0.774 113 G HN 0.854 nan 8.290 nan 0.000 0.562 114 R N 0.609 121.047 120.500 -0.103 0.000 2.083 114 R HA -0.052 4.290 4.340 0.002 0.000 0.237 114 R C 2.872 178.984 176.300 -0.314 0.000 1.137 114 R CA 1.772 57.803 56.100 -0.116 0.000 0.951 114 R CB -0.480 29.797 30.300 -0.038 0.000 0.851 114 R HN 0.303 nan 8.270 nan 0.000 0.434 115 A N 0.255 122.739 122.820 -0.560 0.000 1.858 115 A HA -0.116 4.205 4.320 0.002 0.000 0.216 115 A C 2.321 179.605 177.584 -0.500 0.000 1.190 115 A CA 1.741 53.137 52.037 -1.069 0.000 0.617 115 A CB -0.761 17.715 19.000 -0.873 0.000 0.827 115 A HN 0.238 nan 8.150 nan 0.000 0.443 116 V N 1.226 120.969 119.914 -0.284 0.000 2.282 116 V HA -0.312 3.809 4.120 0.002 0.000 0.249 116 V C 2.343 178.361 176.094 -0.126 0.000 1.057 116 V CA 2.251 64.449 62.300 -0.170 0.000 1.032 116 V CB -1.026 30.721 31.823 -0.126 0.000 0.645 116 V HN 0.566 nan 8.190 nan 0.000 0.447 117 N N -0.600 118.036 118.700 -0.106 0.000 2.166 117 N HA -0.197 4.544 4.740 0.002 0.000 0.186 117 N C 1.853 177.342 175.510 -0.035 0.000 1.019 117 N CA 1.837 54.854 53.050 -0.056 0.000 0.856 117 N CB -0.446 38.022 38.487 -0.032 0.000 0.993 117 N HN 0.697 nan 8.380 nan 0.000 0.426 118 H N 1.158 120.145 119.070 -0.138 0.000 2.321 118 H HA 0.103 4.662 4.556 0.006 0.000 0.300 118 H C 2.132 177.424 175.328 -0.061 0.000 1.087 118 H CA 1.392 57.383 56.048 -0.096 0.000 1.319 118 H CB -0.338 29.398 29.762 -0.042 0.000 1.379 118 H HN 0.104 nan 8.280 nan 0.000 0.501 119 I N 0.402 120.904 120.570 -0.113 0.000 2.208 119 I HA -0.293 3.878 4.170 0.002 0.000 0.245 119 I C 2.354 178.436 176.117 -0.058 0.000 1.097 119 I CA 1.541 62.788 61.300 -0.087 0.000 1.363 119 I CB -0.273 37.704 38.000 -0.039 0.000 1.051 119 I HN 0.279 nan 8.210 nan 0.000 0.413 120 K N 0.635 121.001 120.400 -0.057 0.000 2.097 120 K HA -0.157 4.164 4.320 0.002 0.000 0.206 120 K C 2.328 178.939 176.600 0.018 0.000 1.049 120 K CA 1.900 58.188 56.287 0.002 0.000 0.933 120 K CB -0.232 32.255 32.500 -0.022 0.000 0.717 120 K HN 0.433 nan 8.250 nan 0.000 0.442 121 S N 0.576 116.233 115.700 -0.073 0.000 2.387 121 S HA -0.079 4.392 4.470 0.002 0.000 0.226 121 S C 2.174 176.700 174.600 -0.123 0.000 1.026 121 S CA 0.893 59.038 58.200 -0.091 0.000 0.972 121 S CB -0.537 62.593 63.200 -0.118 0.000 0.814 121 S HN -0.001 nan 8.310 nan 0.000 0.477 122 V N 1.166 120.957 119.914 -0.206 0.000 2.261 122 V HA -0.142 3.979 4.120 0.002 0.000 0.246 122 V C 2.260 178.338 176.094 -0.026 0.000 1.047 122 V CA 1.881 64.080 62.300 -0.168 0.000 1.015 122 V CB -1.098 30.606 31.823 -0.199 0.000 0.642 122 V HN 0.731 nan 8.190 nan 0.000 0.446 123 W N 1.483 122.711 121.300 -0.120 0.000 2.338 123 W HA -0.256 4.404 4.660 -0.000 0.000 0.304 123 W C 2.512 178.994 176.519 -0.061 0.000 1.212 123 W CA 2.434 59.735 57.345 -0.073 0.000 1.264 123 W CB -0.176 29.248 29.460 -0.060 0.000 1.142 123 W HN 0.256 nan 8.180 nan 0.000 0.512 124 K N 0.586 121.010 120.400 0.039 0.000 2.063 124 K HA -0.270 4.051 4.320 0.002 0.000 0.208 124 K C 1.726 178.249 176.600 -0.128 0.000 1.048 124 K CA 2.241 58.501 56.287 -0.045 0.000 0.928 124 K CB -0.617 31.890 32.500 0.012 0.000 0.713 124 K HN 0.014 nan 8.250 nan 0.000 0.442 125 D N -0.060 120.271 120.400 -0.116 0.000 2.178 125 D HA -0.146 4.495 4.640 0.002 0.000 0.201 125 D C 1.794 177.996 176.300 -0.163 0.000 0.980 125 D CA 0.690 54.620 54.000 -0.117 0.000 0.842 125 D CB 0.168 40.908 40.800 -0.099 0.000 0.948 125 D HN 0.094 nan 8.370 nan 0.000 0.472 126 L N 0.326 121.402 121.223 -0.245 0.000 2.093 126 L HA -0.068 4.273 4.340 0.002 0.000 0.208 126 L C 2.280 178.962 176.870 -0.312 0.000 1.085 126 L CA 1.119 55.775 54.840 -0.307 0.000 0.755 126 L CB -1.139 40.638 42.059 -0.469 0.000 0.904 126 L HN 0.326 nan 8.230 nan 0.000 0.435 127 L N -1.055 119.951 121.223 -0.362 0.000 2.291 127 L HA -0.137 4.204 4.340 0.002 0.000 0.214 127 L C 2.229 179.013 176.870 -0.142 0.000 1.120 127 L CA 0.789 55.471 54.840 -0.263 0.000 0.799 127 L CB -0.198 41.709 42.059 -0.253 0.000 0.925 127 L HN 0.360 nan 8.230 nan 0.000 0.446 128 E N -0.944 119.183 120.200 -0.122 0.000 2.162 128 E HA -0.037 4.314 4.350 0.002 0.000 0.193 128 E C 0.302 176.866 176.600 -0.061 0.000 0.953 128 E CA 0.140 56.495 56.400 -0.074 0.000 0.849 128 E CB 0.408 30.072 29.700 -0.060 0.000 0.810 128 E HN 0.143 nan 8.360 nan 0.000 0.470 129 D N 0.460 120.815 120.400 -0.075 0.000 2.349 129 D HA 0.077 4.718 4.640 0.002 0.000 0.232 129 D C -0.008 176.249 176.300 -0.071 0.000 1.071 129 D CA -0.275 53.690 54.000 -0.060 0.000 0.832 129 D CB 1.364 42.131 40.800 -0.055 0.000 1.086 129 D HN -0.038 nan 8.370 nan 0.000 0.504 130 S N 2.174 117.845 115.700 -0.048 0.000 2.568 130 S HA 0.127 4.598 4.470 0.002 0.000 0.232 130 S C 0.918 175.468 174.600 -0.083 0.000 0.975 130 S CA -0.166 57.997 58.200 -0.062 0.000 0.949 130 S CB 0.435 63.650 63.200 0.025 0.000 0.829 130 S HN 0.491 nan 8.310 nan 0.000 0.479 131 Q N 0.885 120.651 119.800 -0.058 0.000 2.619 131 Q HA 0.179 4.520 4.340 0.002 0.000 0.230 131 Q C -0.254 175.723 176.000 -0.038 0.000 0.871 131 Q CA 0.348 56.123 55.803 -0.047 0.000 0.934 131 Q CB -0.106 28.619 28.738 -0.022 0.000 1.183 131 Q HN 0.392 nan 8.270 nan 0.000 0.631 132 T N 5.428 119.965 114.554 -0.028 0.000 2.708 132 T HA 0.030 4.381 4.350 0.002 0.000 0.271 132 T C -2.439 172.255 174.700 -0.011 0.000 0.985 132 T CA -0.524 61.570 62.100 -0.010 0.000 1.229 132 T CB 0.022 68.886 68.868 -0.006 0.000 0.934 132 T HN 0.102 nan 8.240 nan 0.000 0.522 133 P HA 0.092 nan 4.420 nan 0.000 0.262 133 P C -0.145 177.163 177.300 0.013 0.000 1.182 133 P CA -0.030 63.075 63.100 0.009 0.000 0.761 133 P CB 0.481 32.222 31.700 0.068 0.000 0.795 134 I N 6.094 126.652 120.570 -0.019 0.000 2.371 134 I HA 0.161 4.332 4.170 0.002 0.000 0.290 134 I C -1.421 174.714 176.117 0.030 0.000 1.028 134 I CA -2.340 58.960 61.300 -0.000 0.000 1.345 134 I CB 0.872 38.853 38.000 -0.031 0.000 1.407 134 I HN 0.204 nan 8.210 nan 0.000 0.501 135 P HA 0.086 nan 4.420 nan 0.000 0.269 135 P C -0.591 176.764 177.300 0.092 0.000 1.209 135 P CA -0.060 63.138 63.100 0.163 0.000 0.776 135 P CB 0.782 32.556 31.700 0.124 0.000 0.876 136 T N -1.675 112.953 114.554 0.122 0.000 2.906 136 T HA 0.509 4.861 4.350 0.002 0.000 0.295 136 T C -0.362 174.327 174.700 -0.019 0.000 1.075 136 T CA -0.673 61.421 62.100 -0.011 0.000 1.005 136 T CB 1.086 69.927 68.868 -0.044 0.000 1.136 136 T HN 0.238 nan 8.240 nan 0.000 0.498 137 T N 2.137 116.514 114.554 -0.296 0.000 2.824 137 T HA 0.609 4.960 4.350 0.002 0.000 0.280 137 T C -0.505 174.036 174.700 -0.266 0.000 0.995 137 T CA -0.636 61.280 62.100 -0.306 0.000 1.009 137 T CB 0.731 69.257 68.868 -0.571 0.000 0.955 137 T HN 0.717 nan 8.240 nan 0.000 0.452 138 I N 3.830 124.377 120.570 -0.039 0.000 2.433 138 I HA 0.647 4.818 4.170 0.002 0.000 0.292 138 I C -1.074 175.110 176.117 0.112 0.000 1.001 138 I CA -0.932 60.405 61.300 0.062 0.000 1.119 138 I CB 0.953 39.018 38.000 0.109 0.000 1.289 138 I HN 0.583 nan 8.210 nan 0.000 0.438 139 M N 5.804 125.501 119.600 0.161 0.000 2.569 139 M HA 0.523 5.005 4.480 0.002 0.000 0.279 139 M C -0.909 175.466 176.300 0.125 0.000 1.253 139 M CA -0.726 54.664 55.300 0.149 0.000 0.867 139 M CB 2.285 34.999 32.600 0.192 0.000 1.727 139 M HN 0.603 nan 8.290 nan 0.000 0.467 140 A N 1.986 124.861 122.820 0.091 0.000 2.331 140 A HA 0.477 4.798 4.320 0.002 0.000 0.283 140 A C -0.505 177.124 177.584 0.074 0.000 1.142 140 A CA -0.323 51.758 52.037 0.072 0.000 0.812 140 A CB 0.413 19.443 19.000 0.050 0.000 1.074 140 A HN 0.767 nan 8.150 nan 0.000 0.497 141 K N 1.659 122.102 120.400 0.071 0.000 2.218 141 K HA 0.155 4.476 4.320 0.002 0.000 0.276 141 K C -0.669 175.954 176.600 0.039 0.000 1.022 141 K CA -0.363 55.956 56.287 0.054 0.000 0.946 141 K CB 0.388 32.922 32.500 0.057 0.000 1.000 141 K HN 0.731 nan 8.250 nan 0.000 0.468 142 N N 3.847 122.550 118.700 0.005 0.000 2.699 142 N HA 0.135 4.876 4.740 0.002 0.000 0.232 142 N C -1.158 174.275 175.510 -0.128 0.000 1.027 142 N CA -0.121 52.907 53.050 -0.037 0.000 0.920 142 N CB 1.103 39.576 38.487 -0.023 0.000 1.148 142 N HN 0.499 nan 8.380 nan 0.000 0.509 143 E N 0.404 120.518 120.200 -0.143 0.000 2.227 143 E HA 0.427 4.779 4.350 0.002 0.000 0.268 143 E C -0.512 175.746 176.600 -0.570 0.000 0.907 143 E CA -0.918 55.287 56.400 -0.325 0.000 0.786 143 E CB 2.568 32.134 29.700 -0.224 0.000 1.191 143 E HN 0.044 nan 8.360 nan 0.000 0.411 144 V N 3.645 123.059 119.914 -0.834 0.000 2.465 144 V HA 0.393 4.514 4.120 0.002 0.000 0.279 144 V C -0.618 174.803 176.094 -1.120 0.000 1.045 144 V CA -0.058 61.693 62.300 -0.915 0.000 0.938 144 V CB -0.026 31.283 31.823 -0.856 0.000 0.986 144 V HN 0.528 nan 8.190 nan 0.000 0.467 145 F N 2.406 121.923 119.950 -0.720 0.000 2.691 145 F HA 0.660 5.188 4.527 0.002 0.000 0.334 145 F C 0.025 175.503 175.800 -0.537 0.000 1.107 145 F CA -0.716 56.912 58.000 -0.621 0.000 0.991 145 F CB 1.500 40.105 39.000 -0.659 0.000 1.400 145 F HN 0.494 nan 8.300 nan 0.000 0.503 146 C N 2.784 122.098 119.300 0.024 0.000 2.369 146 C HA 0.760 5.221 4.460 0.002 0.000 0.322 146 C C -0.278 174.888 174.990 0.294 0.000 1.258 146 C CA -0.813 58.282 59.018 0.128 0.000 1.487 146 C CB -0.191 27.583 27.740 0.057 0.000 2.165 146 C HN 0.704 nan 8.230 nan 0.000 0.483 147 V N 3.571 123.714 119.914 0.383 0.000 2.814 147 V HA 0.250 4.371 4.120 0.002 0.000 0.307 147 V C 0.134 176.296 176.094 0.114 0.000 1.089 147 V CA 0.759 63.208 62.300 0.248 0.000 1.212 147 V CB 0.672 32.559 31.823 0.107 0.000 0.912 147 V HN 0.904 nan 8.190 nan 0.000 0.497 148 D N 4.528 124.968 120.400 0.065 0.000 2.443 148 D HA 0.430 5.071 4.640 0.002 0.000 0.281 148 D C -1.690 174.606 176.300 -0.006 0.000 1.210 148 D CA -2.010 52.002 54.000 0.020 0.000 0.875 148 D CB 1.571 42.379 40.800 0.013 0.000 1.125 148 D HN 0.361 nan 8.370 nan 0.000 0.503 149 P HA -0.207 nan 4.420 nan 0.000 0.218 149 P C 1.298 178.584 177.300 -0.023 0.000 1.147 149 P CA 1.686 64.773 63.100 -0.022 0.000 0.827 149 P CB 0.292 31.979 31.700 -0.022 0.000 0.778 150 T N -4.178 110.363 114.554 -0.021 0.000 2.901 150 T HA 0.044 4.395 4.350 0.002 0.000 0.252 150 T C 1.732 176.418 174.700 -0.023 0.000 1.035 150 T CA 0.562 62.649 62.100 -0.021 0.000 1.142 150 T CB -0.492 68.364 68.868 -0.020 0.000 0.869 150 T HN -0.080 nan 8.240 nan 0.000 0.442 151 K N 1.907 122.293 120.400 -0.024 0.000 2.211 151 K HA 0.297 4.618 4.320 0.002 0.000 0.203 151 K C 1.375 177.955 176.600 -0.032 0.000 1.050 151 K CA 0.920 57.191 56.287 -0.027 0.000 0.945 151 K CB -0.357 32.126 32.500 -0.028 0.000 0.732 151 K HN 0.685 nan 8.250 nan 0.000 0.451 152 G N -1.257 107.523 108.800 -0.034 0.000 2.345 152 G HA2 0.276 4.237 3.960 0.002 0.000 0.285 152 G HA3 0.276 4.237 3.960 0.002 0.000 0.285 152 G C -0.724 174.144 174.900 -0.052 0.000 1.297 152 G CA -0.523 44.552 45.100 -0.042 0.000 0.875 152 G HN 0.230 nan 8.290 nan 0.000 0.506 153 G N -0.676 108.084 108.800 -0.067 0.000 2.522 153 G HA2 0.560 4.521 3.960 0.002 0.000 0.304 153 G HA3 0.560 4.521 3.960 0.002 0.000 0.304 153 G C -0.033 174.789 174.900 -0.131 0.000 1.210 153 G CA -0.618 44.424 45.100 -0.096 0.000 0.960 153 G HN 0.633 nan 8.290 nan 0.000 0.497 154 K N 0.654 120.912 120.400 -0.237 0.000 2.524 154 K HA -0.001 4.320 4.320 0.002 0.000 0.279 154 K C 0.209 176.716 176.600 -0.155 0.000 0.993 154 K CA 0.652 56.707 56.287 -0.386 0.000 1.030 154 K CB 0.547 32.583 32.500 -0.773 0.000 0.891 154 K HN 0.357 nan 8.250 nan 0.000 0.488 155 K N 1.267 121.656 120.400 -0.017 0.000 2.355 155 K HA 0.133 4.454 4.320 0.002 0.000 0.270 155 K C 0.086 176.685 176.600 -0.002 0.000 1.003 155 K CA -0.432 55.816 56.287 -0.064 0.000 0.957 155 K CB 0.771 33.118 32.500 -0.255 0.000 0.939 155 K HN 0.602 nan 8.250 nan 0.000 0.482 156 A N 1.756 124.561 122.820 -0.025 0.000 2.340 156 A HA 0.473 4.795 4.320 0.002 0.000 0.268 156 A C 0.006 177.608 177.584 0.030 0.000 1.100 156 A CA -0.479 51.557 52.037 -0.000 0.000 0.803 156 A CB 0.434 19.421 19.000 -0.021 0.000 1.043 156 A HN 0.799 nan 8.150 nan 0.000 0.488 157 A N 2.073 124.923 122.820 0.050 0.000 2.531 157 A HA 0.352 4.673 4.320 0.002 0.000 0.236 157 A C 0.773 178.394 177.584 0.061 0.000 1.062 157 A CA 0.103 52.183 52.037 0.072 0.000 0.760 157 A CB -0.024 19.013 19.000 0.062 0.000 0.995 157 A HN 0.851 nan 8.150 nan 0.000 0.501 158 R N 0.552 121.104 120.500 0.086 0.000 2.582 158 R HA 0.444 4.785 4.340 0.002 0.000 0.271 158 R C -0.683 175.667 176.300 0.084 0.000 1.078 158 R CA -0.269 55.883 56.100 0.087 0.000 1.127 158 R CB 0.459 30.822 30.300 0.105 0.000 1.038 158 R HN 0.666 nan 8.270 nan 0.000 0.500 159 L N 2.748 124.027 121.223 0.093 0.000 2.309 159 L HA 0.474 4.815 4.340 0.002 0.000 0.282 159 L C -0.460 176.493 176.870 0.138 0.000 1.036 159 L CA -0.922 53.980 54.840 0.103 0.000 0.806 159 L CB 1.454 43.566 42.059 0.089 0.000 1.220 159 L HN 0.439 nan 8.230 nan 0.000 0.429 160 I N 3.241 123.907 120.570 0.160 0.000 2.418 160 I HA 0.447 4.618 4.170 0.002 0.000 0.287 160 I C -0.777 175.501 176.117 0.268 0.000 1.008 160 I CA -0.333 61.090 61.300 0.204 0.000 1.104 160 I CB 1.797 39.909 38.000 0.187 0.000 1.264 160 I HN 0.165 nan 8.210 nan 0.000 0.438 161 V N 9.247 129.314 119.914 0.256 0.000 2.495 161 V HA 0.606 4.727 4.120 0.002 0.000 0.298 161 V C -1.000 175.255 176.094 0.268 0.000 1.031 161 V CA -0.525 61.891 62.300 0.193 0.000 0.871 161 V CB 1.231 33.140 31.823 0.143 0.000 0.988 161 V HN 0.688 nan 8.190 nan 0.000 0.432 162 Y N 4.364 124.720 120.300 0.093 0.000 2.592 162 Y HA 0.857 5.407 4.550 0.001 0.000 0.334 162 Y C -3.223 172.730 175.900 0.089 0.000 1.136 162 Y CA -2.593 55.562 58.100 0.092 0.000 1.042 162 Y CB 1.805 40.316 38.460 0.085 0.000 1.325 162 Y HN 0.428 nan 8.280 nan 0.000 0.457 163 P HA 0.170 nan 4.420 nan 0.000 0.281 163 P C -0.943 176.471 177.300 0.190 0.000 1.281 163 P CA -0.207 62.953 63.100 0.101 0.000 0.811 163 P CB 1.604 33.370 31.700 0.109 0.000 1.154 164 D N -0.617 119.871 120.400 0.146 0.000 2.419 164 D HA -0.079 4.562 4.640 0.002 0.000 0.236 164 D C 1.366 177.788 176.300 0.203 0.000 1.165 164 D CA -0.210 53.896 54.000 0.178 0.000 0.882 164 D CB 0.278 41.206 40.800 0.214 0.000 1.201 164 D HN 0.100 nan 8.370 nan 0.000 0.443 165 L N 3.468 124.791 121.223 0.167 0.000 2.051 165 L HA -0.043 4.299 4.340 0.002 0.000 0.214 165 L C 2.102 179.119 176.870 0.245 0.000 1.076 165 L CA 2.610 57.550 54.840 0.167 0.000 0.758 165 L CB -1.096 41.013 42.059 0.082 0.000 0.890 165 L HN 0.676 nan 8.230 nan 0.000 0.433 166 G N -1.462 107.535 108.800 0.328 0.000 2.442 166 G HA2 -0.203 3.758 3.960 0.002 0.000 0.219 166 G HA3 -0.203 3.758 3.960 0.002 0.000 0.219 166 G C 1.510 176.537 174.900 0.212 0.000 1.141 166 G CA 1.061 46.390 45.100 0.383 0.000 0.763 166 G HN 0.370 nan 8.290 nan 0.000 0.554 167 V N 0.537 120.561 119.914 0.182 0.000 2.488 167 V HA -0.071 4.050 4.120 0.002 0.000 0.246 167 V C 2.864 179.050 176.094 0.154 0.000 1.046 167 V CA 1.431 63.813 62.300 0.137 0.000 1.053 167 V CB -0.350 31.537 31.823 0.106 0.000 0.679 167 V HN 0.323 nan 8.190 nan 0.000 0.458 168 R N -0.196 120.405 120.500 0.168 0.000 2.096 168 R HA -0.113 4.228 4.340 0.002 0.000 0.235 168 R C 2.201 178.587 176.300 0.143 0.000 1.127 168 R CA 1.349 57.546 56.100 0.162 0.000 0.968 168 R CB -0.597 29.797 30.300 0.157 0.000 0.861 168 R HN 0.417 nan 8.270 nan 0.000 0.440 169 V N 0.456 120.452 119.914 0.136 0.000 2.358 169 V HA -0.259 3.862 4.120 0.002 0.000 0.246 169 V C 2.456 178.609 176.094 0.097 0.000 1.047 169 V CA 1.481 63.836 62.300 0.092 0.000 1.035 169 V CB -0.439 31.434 31.823 0.083 0.000 0.658 169 V HN 0.428 nan 8.190 nan 0.000 0.452 170 C N -0.090 119.307 119.300 0.161 0.000 2.419 170 C HA -0.120 4.341 4.460 0.002 0.000 0.281 170 C C 2.614 177.798 174.990 0.322 0.000 1.336 170 C CA 0.735 59.925 59.018 0.288 0.000 1.770 170 C CB -1.091 26.881 27.740 0.385 0.000 1.929 170 C HN 0.618 nan 8.230 nan 0.000 0.509 171 E N 0.787 121.125 120.200 0.230 0.000 2.072 171 E HA -0.175 4.176 4.350 0.002 0.000 0.191 171 E C 2.187 178.917 176.600 0.217 0.000 0.985 171 E CA 1.003 57.547 56.400 0.239 0.000 0.801 171 E CB -0.087 29.756 29.700 0.238 0.000 0.750 171 E HN 0.628 nan 8.360 nan 0.000 0.452 172 K N 0.404 120.904 120.400 0.167 0.000 2.057 172 K HA -0.103 4.218 4.320 0.002 0.000 0.207 172 K C 2.198 178.864 176.600 0.110 0.000 1.049 172 K CA 1.277 57.656 56.287 0.152 0.000 0.931 172 K CB -0.133 32.389 32.500 0.038 0.000 0.714 172 K HN 0.131 nan 8.250 nan 0.000 0.440 173 M N 0.162 119.779 119.600 0.029 0.000 2.144 173 M HA -0.193 4.288 4.480 0.002 0.000 0.260 173 M C 2.271 178.597 176.300 0.044 0.000 1.067 173 M CA 1.739 56.978 55.300 -0.101 0.000 1.095 173 M CB -0.264 32.063 32.600 -0.454 0.000 1.365 173 M HN 0.235 nan 8.290 nan 0.000 0.406 174 A N -0.961 122.008 122.820 0.249 0.000 2.063 174 A HA 0.204 4.525 4.320 0.002 0.000 0.211 174 A C 1.689 179.374 177.584 0.169 0.000 1.177 174 A CA 0.543 52.768 52.037 0.313 0.000 0.759 174 A CB 0.119 19.380 19.000 0.435 0.000 0.857 174 A HN 0.473 nan 8.150 nan 0.000 0.468 175 L N -2.865 118.440 121.223 0.136 0.000 3.039 175 L HA 0.213 4.554 4.340 0.002 0.000 0.269 175 L C 1.773 178.646 176.870 0.005 0.000 1.169 175 L CA 0.039 54.894 54.840 0.024 0.000 0.986 175 L CB -0.030 42.016 42.059 -0.022 0.000 1.377 175 L HN 0.437 nan 8.230 nan 0.000 0.575 176 Y N 1.686 121.975 120.300 -0.019 0.000 2.128 176 Y HA -0.349 4.202 4.550 0.002 0.000 0.284 176 Y C 2.248 178.122 175.900 -0.043 0.000 1.154 176 Y CA 2.360 60.442 58.100 -0.030 0.000 1.149 176 Y CB 0.119 38.566 38.460 -0.022 0.000 0.976 176 Y HN 0.235 nan 8.280 nan 0.000 0.505 177 D N -0.693 119.736 120.400 0.049 0.000 2.149 177 D HA -0.187 4.454 4.640 0.002 0.000 0.198 177 D C 2.156 178.379 176.300 -0.128 0.000 0.990 177 D CA 1.581 55.566 54.000 -0.026 0.000 0.839 177 D CB -0.235 40.590 40.800 0.041 0.000 0.948 177 D HN 0.269 nan 8.370 nan 0.000 0.460 178 V N 0.311 120.149 119.914 -0.127 0.000 2.295 178 V HA -0.242 3.880 4.120 0.002 0.000 0.246 178 V C 2.678 178.638 176.094 -0.223 0.000 1.049 178 V CA 2.179 64.381 62.300 -0.164 0.000 1.024 178 V CB -1.163 30.534 31.823 -0.211 0.000 0.648 178 V HN 0.492 nan 8.190 nan 0.000 0.447 179 T N -2.176 112.213 114.554 -0.274 0.000 2.977 179 T HA -0.219 4.132 4.350 0.002 0.000 0.271 179 T C 1.600 176.135 174.700 -0.276 0.000 1.105 179 T CA 1.157 63.093 62.100 -0.274 0.000 1.116 179 T CB -0.225 68.475 68.868 -0.281 0.000 0.878 179 T HN 0.455 nan 8.240 nan 0.000 0.509 180 Q N 0.421 120.032 119.800 -0.315 0.000 2.408 180 Q HA 0.233 4.574 4.340 0.002 0.000 0.205 180 Q C 1.677 177.582 176.000 -0.160 0.000 0.919 180 Q CA 0.663 56.318 55.803 -0.246 0.000 0.932 180 Q CB 0.369 28.940 28.738 -0.279 0.000 1.058 180 Q HN 0.670 nan 8.270 nan 0.000 0.517 181 K N -0.812 119.490 120.400 -0.162 0.000 2.424 181 K HA 0.104 4.425 4.320 0.002 0.000 0.200 181 K C 1.739 178.243 176.600 -0.161 0.000 1.279 181 K CA -0.221 55.987 56.287 -0.133 0.000 0.918 181 K CB 0.119 32.564 32.500 -0.091 0.000 1.287 181 K HN -0.102 nan 8.250 nan 0.000 0.502 182 L N 3.607 124.734 121.223 -0.160 0.000 1.971 182 L HA -0.140 4.201 4.340 0.002 0.000 0.215 182 L C -1.134 175.599 176.870 -0.228 0.000 1.072 182 L CA 2.153 56.908 54.840 -0.142 0.000 0.758 182 L CB -0.920 41.090 42.059 -0.081 0.000 0.889 182 L HN 0.038 nan 8.230 nan 0.000 0.433 183 P HA -0.248 nan 4.420 nan 0.000 0.216 183 P C 1.479 178.377 177.300 -0.670 0.000 1.153 183 P CA 1.721 64.447 63.100 -0.625 0.000 0.858 183 P CB -0.159 30.899 31.700 -1.070 0.000 0.789 184 Q N -0.694 118.749 119.800 -0.595 0.000 2.119 184 Q HA -0.067 4.274 4.340 0.002 0.000 0.201 184 Q C 2.376 178.265 176.000 -0.186 0.000 0.972 184 Q CA 1.546 57.167 55.803 -0.303 0.000 0.847 184 Q CB -0.483 28.165 28.738 -0.150 0.000 0.903 184 Q HN 0.189 nan 8.270 nan 0.000 0.433 185 A N 0.536 123.258 122.820 -0.164 0.000 1.933 185 A HA -0.139 4.182 4.320 0.002 0.000 0.218 185 A C 2.133 179.665 177.584 -0.088 0.000 1.175 185 A CA 1.774 53.752 52.037 -0.098 0.000 0.628 185 A CB -0.533 18.421 19.000 -0.076 0.000 0.814 185 A HN 0.340 nan 8.150 nan 0.000 0.444 186 V N -4.702 115.138 119.914 -0.124 0.000 3.174 186 V HA 0.143 4.264 4.120 0.002 0.000 0.254 186 V C 1.945 177.948 176.094 -0.152 0.000 1.120 186 V CA 1.568 63.815 62.300 -0.088 0.000 1.114 186 V CB -0.315 31.474 31.823 -0.058 0.000 0.756 186 V HN 0.420 nan 8.190 nan 0.000 0.467 187 M N 0.160 119.577 119.600 -0.306 0.000 2.571 187 M HA 0.510 4.991 4.480 0.002 0.000 0.259 187 M C 1.579 177.745 176.300 -0.223 0.000 1.205 187 M CA 0.928 55.910 55.300 -0.531 0.000 1.138 187 M CB 0.591 32.754 32.600 -0.729 0.000 1.329 187 M HN 0.599 nan 8.290 nan 0.000 0.503 188 G N 1.346 110.074 108.800 -0.119 0.000 2.556 188 G HA2 -0.391 3.571 3.960 0.002 0.000 0.283 188 G HA3 -0.391 3.571 3.960 0.002 0.000 0.283 188 G C 0.808 175.713 174.900 0.008 0.000 1.177 188 G CA 0.456 45.541 45.100 -0.025 0.000 0.978 188 G HN 0.496 nan 8.290 nan 0.000 0.554 189 A N -0.791 122.087 122.820 0.097 0.000 2.070 189 A HA 0.224 4.546 4.320 0.002 0.000 0.220 189 A C 2.612 180.246 177.584 0.083 0.000 1.159 189 A CA 2.753 54.908 52.037 0.197 0.000 0.656 189 A CB -0.555 18.687 19.000 0.402 0.000 0.800 189 A HN 1.353 nan 8.150 nan 0.000 0.453 190 S N -1.608 114.123 115.700 0.052 0.000 2.481 190 S HA -0.025 4.446 4.470 0.002 0.000 0.231 190 S C 0.520 175.054 174.600 -0.110 0.000 0.996 190 S CA 0.019 58.215 58.200 -0.007 0.000 0.942 190 S CB -0.329 62.919 63.200 0.080 0.000 0.768 190 S HN 0.602 nan 8.310 nan 0.000 0.520 191 Y N 3.291 123.421 120.300 -0.283 0.000 2.637 191 Y HA 0.410 4.961 4.550 0.002 0.000 0.350 191 Y C 1.281 176.965 175.900 -0.360 0.000 1.069 191 Y CA -1.385 56.529 58.100 -0.311 0.000 1.397 191 Y CB -0.138 38.158 38.460 -0.273 0.000 1.163 191 Y HN 0.055 nan 8.280 nan 0.000 0.527 192 G N 4.853 113.255 108.800 -0.665 0.000 2.408 192 G HA2 -0.266 3.695 3.960 0.002 0.000 0.217 192 G HA3 -0.266 3.695 3.960 0.002 0.000 0.217 192 G C 0.839 175.285 174.900 -0.755 0.000 1.150 192 G CA 0.134 44.835 45.100 -0.665 0.000 0.776 192 G HN 0.611 nan 8.290 nan 0.000 0.542 193 F N 1.259 120.638 119.950 -0.952 0.000 2.733 193 F HA 0.157 4.686 4.527 0.002 0.000 0.301 193 F C 2.267 177.709 175.800 -0.598 0.000 1.240 193 F CA 0.283 57.874 58.000 -0.682 0.000 1.432 193 F CB -0.207 38.449 39.000 -0.572 0.000 1.089 193 F HN 0.428 nan 8.300 nan 0.000 0.533 194 Q N -1.723 117.740 119.800 -0.561 0.000 2.189 194 Q HA 0.145 4.486 4.340 0.002 0.000 0.223 194 Q C -0.638 175.101 176.000 -0.434 0.000 0.828 194 Q CA 0.018 55.554 55.803 -0.445 0.000 0.967 194 Q CB 0.071 28.508 28.738 -0.503 0.000 1.139 194 Q HN 0.380 nan 8.270 nan 0.000 0.497 195 Y N 1.638 121.864 120.300 -0.123 0.000 2.387 195 Y HA 0.421 4.972 4.550 0.002 0.000 0.336 195 Y C 0.554 176.418 175.900 -0.061 0.000 1.067 195 Y CA -1.056 56.990 58.100 -0.090 0.000 1.114 195 Y CB 1.727 40.113 38.460 -0.123 0.000 1.208 195 Y HN 0.094 nan 8.280 nan 0.000 0.458 196 S N 2.308 118.086 115.700 0.129 0.000 2.669 196 S HA 0.270 4.741 4.470 0.002 0.000 0.270 196 S C -1.915 172.704 174.600 0.031 0.000 1.225 196 S CA -1.264 56.956 58.200 0.032 0.000 0.991 196 S CB 1.305 64.494 63.200 -0.019 0.000 0.987 196 S HN 0.491 nan 8.310 nan 0.000 0.552 197 P HA -0.141 nan 4.420 nan 0.000 0.215 197 P C 1.509 178.831 177.300 0.037 0.000 1.153 197 P CA 1.936 65.049 63.100 0.022 0.000 0.853 197 P CB -0.427 31.304 31.700 0.052 0.000 0.788 198 A N 0.087 122.916 122.820 0.016 0.000 1.940 198 A HA -0.234 4.087 4.320 0.002 0.000 0.219 198 A C 2.361 179.953 177.584 0.014 0.000 1.176 198 A CA 1.740 53.795 52.037 0.031 0.000 0.631 198 A CB -1.353 17.649 19.000 0.002 0.000 0.814 198 A HN 0.233 nan 8.150 nan 0.000 0.446 199 Q N -1.277 118.530 119.800 0.011 0.000 2.123 199 Q HA -0.079 4.262 4.340 0.002 0.000 0.199 199 Q C 2.336 178.220 176.000 -0.193 0.000 0.966 199 Q CA 1.199 56.991 55.803 -0.018 0.000 0.845 199 Q CB -0.127 28.695 28.738 0.139 0.000 0.907 199 Q HN 0.691 nan 8.270 nan 0.000 0.439 200 R N 0.347 120.759 120.500 -0.146 0.000 2.081 200 R HA -0.133 4.208 4.340 0.002 0.000 0.235 200 R C 2.064 178.307 176.300 -0.094 0.000 1.131 200 R CA 1.159 57.136 56.100 -0.204 0.000 0.960 200 R CB -0.108 30.158 30.300 -0.057 0.000 0.856 200 R HN 0.094 nan 8.270 nan 0.000 0.436 201 V N 1.278 121.167 119.914 -0.042 0.000 2.295 201 V HA -0.260 3.861 4.120 0.002 0.000 0.246 201 V C 2.357 178.415 176.094 -0.059 0.000 1.049 201 V CA 2.294 64.578 62.300 -0.027 0.000 1.024 201 V CB -0.619 31.222 31.823 0.030 0.000 0.648 201 V HN 0.502 nan 8.190 nan 0.000 0.447 202 E N -0.460 119.708 120.200 -0.052 0.000 2.085 202 E HA -0.280 4.071 4.350 0.002 0.000 0.194 202 E C 2.109 178.655 176.600 -0.091 0.000 0.994 202 E CA 1.725 58.086 56.400 -0.065 0.000 0.801 202 E CB -0.223 29.456 29.700 -0.035 0.000 0.743 202 E HN 0.580 nan 8.360 nan 0.000 0.453 203 F N 1.049 120.838 119.950 -0.268 0.000 2.113 203 F HA -0.141 4.388 4.527 0.002 0.000 0.297 203 F C 1.948 177.641 175.800 -0.178 0.000 1.103 203 F CA 1.368 59.197 58.000 -0.285 0.000 1.248 203 F CB -0.135 38.536 39.000 -0.550 0.000 0.999 203 F HN -0.008 nan 8.300 nan 0.000 0.475 204 L N -0.166 121.063 121.223 0.010 0.000 2.046 204 L HA -0.241 4.101 4.340 0.002 0.000 0.208 204 L C 2.478 179.279 176.870 -0.116 0.000 1.077 204 L CA 1.202 56.021 54.840 -0.035 0.000 0.747 204 L CB -0.813 41.237 42.059 -0.015 0.000 0.896 204 L HN 0.226 nan 8.230 nan 0.000 0.432 205 L N -0.213 120.917 121.223 -0.154 0.000 2.046 205 L HA -0.250 4.091 4.340 0.002 0.000 0.208 205 L C 2.702 179.499 176.870 -0.121 0.000 1.077 205 L CA 1.416 56.151 54.840 -0.175 0.000 0.747 205 L CB -0.479 41.412 42.059 -0.281 0.000 0.896 205 L HN 0.250 nan 8.230 nan 0.000 0.432 206 K N 0.152 120.444 120.400 -0.181 0.000 2.097 206 K HA -0.166 4.155 4.320 0.002 0.000 0.206 206 K C 2.123 178.596 176.600 -0.211 0.000 1.049 206 K CA 1.251 57.423 56.287 -0.191 0.000 0.933 206 K CB -0.046 32.314 32.500 -0.232 0.000 0.717 206 K HN 0.277 nan 8.250 nan 0.000 0.442 207 A N 0.820 123.462 122.820 -0.298 0.000 1.930 207 A HA -0.176 4.145 4.320 0.002 0.000 0.217 207 A C 1.977 179.514 177.584 -0.078 0.000 1.175 207 A CA 1.008 52.888 52.037 -0.261 0.000 0.627 207 A CB -0.931 17.851 19.000 -0.363 0.000 0.815 207 A HN 0.684 nan 8.150 nan 0.000 0.443 208 W N 0.468 121.648 121.300 -0.201 0.000 2.418 208 W HA -0.063 4.598 4.660 0.002 0.000 0.292 208 W C 2.236 178.683 176.519 -0.120 0.000 1.213 208 W CA 1.481 58.741 57.345 -0.143 0.000 1.283 208 W CB -0.044 29.334 29.460 -0.138 0.000 1.119 208 W HN 0.415 nan 8.180 nan 0.000 0.542 209 A N 1.033 123.864 122.820 0.017 0.000 2.067 209 A HA -0.207 4.114 4.320 0.002 0.000 0.217 209 A C 1.710 179.233 177.584 -0.102 0.000 1.156 209 A CA 1.566 53.574 52.037 -0.049 0.000 0.683 209 A CB -0.800 18.182 19.000 -0.030 0.000 0.808 209 A HN 0.580 nan 8.150 nan 0.000 0.455 210 E N -0.093 120.036 120.200 -0.118 0.000 2.427 210 E HA -0.039 4.312 4.350 0.002 0.000 0.196 210 E C -0.047 176.474 176.600 -0.131 0.000 1.028 210 E CA 0.249 56.581 56.400 -0.113 0.000 0.864 210 E CB -0.022 29.611 29.700 -0.112 0.000 0.813 210 E HN 0.193 nan 8.360 nan 0.000 0.514 211 K N 1.278 121.565 120.400 -0.188 0.000 2.143 211 K HA 0.183 4.504 4.320 0.002 0.000 0.272 211 K C 0.633 177.118 176.600 -0.192 0.000 1.001 211 K CA -0.505 55.658 56.287 -0.207 0.000 0.915 211 K CB 1.297 33.612 32.500 -0.309 0.000 1.047 211 K HN -0.124 nan 8.250 nan 0.000 0.458 212 K N 0.727 121.041 120.400 -0.143 0.000 2.167 212 K HA -0.070 4.251 4.320 0.002 0.000 0.203 212 K C -0.088 176.434 176.600 -0.130 0.000 1.052 212 K CA 1.016 57.235 56.287 -0.113 0.000 0.956 212 K CB 0.101 32.554 32.500 -0.078 0.000 0.735 212 K HN 0.596 nan 8.250 nan 0.000 0.451 213 D N 0.424 120.729 120.400 -0.158 0.000 2.328 213 D HA 0.162 4.804 4.640 0.002 0.000 0.243 213 D C -2.807 173.352 176.300 -0.234 0.000 1.324 213 D CA -1.889 52.018 54.000 -0.156 0.000 0.966 213 D CB 1.608 42.357 40.800 -0.084 0.000 1.324 213 D HN -0.128 nan 8.370 nan 0.000 0.549 214 P HA 0.266 nan 4.420 nan 0.000 0.275 214 P C -0.670 176.285 177.300 -0.576 0.000 1.228 214 P CA -0.636 61.999 63.100 -0.775 0.000 0.786 214 P CB 1.211 31.867 31.700 -1.741 0.000 0.927 215 M N 1.790 121.128 119.600 -0.436 0.000 2.371 215 M HA 0.601 5.082 4.480 0.002 0.000 0.287 215 M C -1.477 174.799 176.300 -0.041 0.000 1.149 215 M CA -0.215 54.956 55.300 -0.215 0.000 0.929 215 M CB 2.337 34.871 32.600 -0.110 0.000 1.683 215 M HN 0.615 nan 8.290 nan 0.000 0.470 216 G N 3.455 112.318 108.800 0.104 0.000 2.672 216 G HA2 0.871 4.832 3.960 0.002 0.000 0.292 216 G HA3 0.871 4.832 3.960 0.002 0.000 0.292 216 G C -2.061 172.921 174.900 0.137 0.000 1.375 216 G CA -0.651 44.527 45.100 0.130 0.000 0.890 216 G HN 0.858 nan 8.290 nan 0.000 0.476 217 F N -0.653 119.263 119.950 -0.057 0.000 2.650 217 F HA 0.722 5.250 4.527 0.002 0.000 0.310 217 F C -0.443 175.340 175.800 -0.029 0.000 1.112 217 F CA -1.408 56.553 58.000 -0.066 0.000 0.986 217 F CB 1.555 40.494 39.000 -0.102 0.000 1.285 217 F HN 0.593 nan 8.300 nan 0.000 0.440 218 S N 2.232 118.024 115.700 0.153 0.000 2.433 218 S HA 0.507 4.979 4.470 0.002 0.000 0.310 218 S C -1.264 173.500 174.600 0.272 0.000 1.097 218 S CA -0.536 57.724 58.200 0.099 0.000 1.103 218 S CB 0.866 64.095 63.200 0.048 0.000 0.992 218 S HN 0.748 nan 8.310 nan 0.000 0.469 219 Y N 2.410 122.814 120.300 0.173 0.000 2.304 219 Y HA 0.443 4.994 4.550 0.002 0.000 0.328 219 Y C -0.099 175.908 175.900 0.179 0.000 1.123 219 Y CA -0.215 58.045 58.100 0.266 0.000 1.218 219 Y CB 0.977 39.675 38.460 0.397 0.000 1.207 219 Y HN 0.757 nan 8.280 nan 0.000 0.495 220 D N 3.963 124.200 120.400 -0.272 0.000 2.505 220 D HA 0.175 4.816 4.640 0.002 0.000 0.250 220 D C -1.218 174.934 176.300 -0.248 0.000 1.164 220 D CA -0.277 53.636 54.000 -0.145 0.000 0.870 220 D CB 1.328 42.076 40.800 -0.086 0.000 1.160 220 D HN 0.554 nan 8.370 nan 0.000 0.549 221 T N 3.332 117.904 114.554 0.030 0.000 2.780 221 T HA 0.145 4.496 4.350 0.002 0.000 0.294 221 T C 0.587 175.376 174.700 0.149 0.000 0.949 221 T CA -0.577 61.624 62.100 0.169 0.000 1.074 221 T CB 1.023 70.240 68.868 0.583 0.000 0.910 221 T HN 0.218 nan 8.240 nan 0.000 0.501 222 R N 2.849 123.392 120.500 0.072 0.000 2.345 222 R HA 0.081 4.422 4.340 0.002 0.000 0.331 222 R C -0.499 175.879 176.300 0.130 0.000 1.067 222 R CA -0.060 56.071 56.100 0.051 0.000 0.962 222 R CB -1.367 28.909 30.300 -0.041 0.000 0.987 222 R HN 0.931 nan 8.270 nan 0.000 0.451 223 C N 5.353 124.763 119.300 0.184 0.000 4.067 223 C HA -0.164 4.297 4.460 0.002 0.000 0.305 223 C C 1.287 176.462 174.990 0.308 0.000 1.305 223 C CA 0.193 59.368 59.018 0.262 0.000 2.111 223 C CB -3.232 24.707 27.740 0.333 0.000 1.339 223 C HN 0.985 nan 8.230 nan 0.000 0.668 224 F N 1.972 122.030 119.950 0.180 0.000 2.063 224 F HA -0.203 4.325 4.527 0.001 0.000 0.298 224 F C 1.974 177.881 175.800 0.177 0.000 1.109 224 F CA 2.474 60.584 58.000 0.183 0.000 1.212 224 F CB -0.010 39.090 39.000 0.167 0.000 0.973 224 F HN 0.461 nan 8.300 nan 0.000 0.480 225 D N -0.440 120.163 120.400 0.338 0.000 2.190 225 D HA -0.161 4.481 4.640 0.002 0.000 0.200 225 D C 2.369 178.713 176.300 0.074 0.000 0.992 225 D CA 1.596 55.724 54.000 0.213 0.000 0.854 225 D CB -0.398 40.549 40.800 0.245 0.000 0.936 225 D HN 0.272 nan 8.370 nan 0.000 0.462 226 S N -0.743 115.036 115.700 0.132 0.000 2.461 226 S HA -0.078 4.393 4.470 0.002 0.000 0.228 226 S C 2.050 176.634 174.600 -0.027 0.000 1.005 226 S CA 1.204 59.439 58.200 0.059 0.000 0.942 226 S CB -0.052 63.300 63.200 0.252 0.000 0.776 226 S HN 0.515 nan 8.310 nan 0.000 0.514 227 T N -0.079 114.485 114.554 0.017 0.000 3.035 227 T HA 0.116 4.468 4.350 0.002 0.000 0.259 227 T C 0.893 175.496 174.700 -0.162 0.000 1.078 227 T CA 0.247 62.339 62.100 -0.014 0.000 1.132 227 T CB -0.702 68.129 68.868 -0.062 0.000 0.900 227 T HN 0.222 nan 8.240 nan 0.000 0.480 228 V N 4.195 123.952 119.914 -0.262 0.000 2.529 228 V HA 0.467 4.588 4.120 0.002 0.000 0.292 228 V C 0.392 176.410 176.094 -0.126 0.000 1.028 228 V CA -0.193 61.989 62.300 -0.196 0.000 1.074 228 V CB 0.039 31.774 31.823 -0.147 0.000 0.958 228 V HN 0.669 nan 8.190 nan 0.000 0.481 229 T N 2.208 116.706 114.554 -0.093 0.000 2.862 229 T HA 0.418 4.769 4.350 0.002 0.000 0.276 229 T C 0.834 175.496 174.700 -0.063 0.000 0.974 229 T CA 0.171 62.221 62.100 -0.083 0.000 0.966 229 T CB 1.173 70.001 68.868 -0.067 0.000 1.072 229 T HN 0.759 nan 8.240 nan 0.000 0.538 230 E N -0.210 119.955 120.200 -0.060 0.000 2.110 230 E HA -0.137 4.214 4.350 0.002 0.000 0.193 230 E C 2.299 178.885 176.600 -0.024 0.000 0.988 230 E CA 0.841 57.219 56.400 -0.037 0.000 0.804 230 E CB -0.112 29.568 29.700 -0.034 0.000 0.745 230 E HN 0.590 nan 8.360 nan 0.000 0.458 231 R N 1.309 121.790 120.500 -0.032 0.000 2.091 231 R HA -0.168 4.173 4.340 0.002 0.000 0.238 231 R C 1.597 177.887 176.300 -0.017 0.000 1.136 231 R CA 1.893 57.976 56.100 -0.028 0.000 0.959 231 R CB -0.206 30.066 30.300 -0.047 0.000 0.856 231 R HN 0.093 nan 8.270 nan 0.000 0.437 232 D N -0.008 120.380 120.400 -0.020 0.000 2.117 232 D HA -0.146 4.495 4.640 0.002 0.000 0.197 232 D C 1.910 178.211 176.300 0.001 0.000 0.987 232 D CA 1.619 55.623 54.000 0.005 0.000 0.829 232 D CB -0.126 40.675 40.800 0.002 0.000 0.961 232 D HN 0.346 nan 8.370 nan 0.000 0.460 233 I N 0.527 121.095 120.570 -0.003 0.000 2.315 233 I HA -0.183 3.989 4.170 0.002 0.000 0.248 233 I C 2.454 178.568 176.117 -0.006 0.000 1.117 233 I CA 0.824 62.128 61.300 0.007 0.000 1.404 233 I CB -0.092 37.929 38.000 0.037 0.000 1.071 233 I HN -0.103 nan 8.210 nan 0.000 0.419 234 R N -0.033 120.466 120.500 -0.002 0.000 2.115 234 R HA -0.065 4.276 4.340 0.002 0.000 0.226 234 R C 2.263 178.545 176.300 -0.031 0.000 1.100 234 R CA 1.456 57.557 56.100 0.002 0.000 0.980 234 R CB -0.402 29.907 30.300 0.015 0.000 0.875 234 R HN 0.290 nan 8.270 nan 0.000 0.445 235 T N 1.014 115.548 114.554 -0.032 0.000 2.821 235 T HA -0.106 4.245 4.350 0.002 0.000 0.267 235 T C 1.411 176.029 174.700 -0.136 0.000 1.046 235 T CA 1.178 63.255 62.100 -0.039 0.000 1.139 235 T CB -0.021 68.865 68.868 0.029 0.000 0.871 235 T HN 0.362 nan 8.240 nan 0.000 0.454 236 E N 0.741 120.820 120.200 -0.202 0.000 2.153 236 E HA -0.140 4.211 4.350 0.002 0.000 0.194 236 E C 2.265 178.311 176.600 -0.924 0.000 0.988 236 E CA 0.771 56.888 56.400 -0.472 0.000 0.811 236 E CB -0.044 29.438 29.700 -0.365 0.000 0.746 236 E HN 0.524 nan 8.360 nan 0.000 0.466 237 E N 0.635 120.538 120.200 -0.494 0.000 2.106 237 E HA -0.156 4.195 4.350 0.002 0.000 0.192 237 E C 2.107 178.617 176.600 -0.149 0.000 0.984 237 E CA 1.321 57.549 56.400 -0.286 0.000 0.806 237 E CB 0.101 29.821 29.700 0.034 0.000 0.750 237 E HN 0.213 nan 8.360 nan 0.000 0.458 238 S N 0.267 115.896 115.700 -0.117 0.000 2.423 238 S HA -0.095 4.376 4.470 0.002 0.000 0.231 238 S C 2.020 176.585 174.600 -0.058 0.000 1.014 238 S CA 0.620 58.791 58.200 -0.048 0.000 0.965 238 S CB -0.416 62.765 63.200 -0.031 0.000 0.785 238 S HN 0.263 nan 8.310 nan 0.000 0.495 239 I N 0.241 120.725 120.570 -0.144 0.000 2.286 239 I HA -0.128 4.043 4.170 0.002 0.000 0.245 239 I C 2.335 178.480 176.117 0.046 0.000 1.104 239 I CA 1.338 62.589 61.300 -0.082 0.000 1.397 239 I CB -0.436 37.484 38.000 -0.132 0.000 1.072 239 I HN 0.309 nan 8.210 nan 0.000 0.417 240 Y N 0.550 120.863 120.300 0.021 0.000 2.145 240 Y HA -0.228 4.323 4.550 0.002 0.000 0.286 240 Y C 2.692 178.608 175.900 0.026 0.000 1.145 240 Y CA 0.144 58.258 58.100 0.023 0.000 1.148 240 Y CB -0.247 38.239 38.460 0.043 0.000 0.981 240 Y HN 0.166 nan 8.280 nan 0.000 0.507 241 Q N 0.182 120.090 119.800 0.180 0.000 2.437 241 Q HA -0.103 4.239 4.340 0.002 0.000 0.210 241 Q C 2.308 178.348 176.000 0.067 0.000 0.972 241 Q CA 0.938 56.806 55.803 0.107 0.000 0.903 241 Q CB -0.295 28.487 28.738 0.073 0.000 0.967 241 Q HN 0.533 nan 8.270 nan 0.000 0.486 242 A N 0.121 122.977 122.820 0.060 0.000 2.014 242 A HA -0.071 4.250 4.320 0.002 0.000 0.218 242 A C 1.363 178.971 177.584 0.039 0.000 1.163 242 A CA 0.260 52.319 52.037 0.037 0.000 0.652 242 A CB -0.325 18.690 19.000 0.025 0.000 0.808 242 A HN 0.372 nan 8.150 nan 0.000 0.449 243 C N -0.774 118.560 119.300 0.057 0.000 2.758 243 C HA 0.366 4.827 4.460 0.002 0.000 0.371 243 C C 1.383 176.395 174.990 0.037 0.000 1.342 243 C CA -0.132 58.913 59.018 0.044 0.000 2.257 243 C CB 0.261 28.032 27.740 0.052 0.000 2.621 243 C HN 0.464 nan 8.230 nan 0.000 0.730 244 S N 1.052 116.768 115.700 0.026 0.000 2.409 244 S HA 0.646 5.117 4.470 0.002 0.000 0.308 244 S C -0.799 173.818 174.600 0.028 0.000 1.080 244 S CA -0.427 57.787 58.200 0.024 0.000 1.081 244 S CB -0.767 62.442 63.200 0.016 0.000 1.009 244 S HN 0.477 nan 8.310 nan 0.000 0.502 245 L N 5.778 127.022 121.223 0.036 0.000 2.371 245 L HA 0.652 4.993 4.340 0.002 0.000 0.262 245 L C -2.212 174.686 176.870 0.046 0.000 1.006 245 L CA -2.423 52.444 54.840 0.044 0.000 0.818 245 L CB 2.126 44.221 42.059 0.059 0.000 1.354 245 L HN 0.399 nan 8.230 nan 0.000 0.415 246 P HA 0.061 nan 4.420 nan 0.000 0.271 246 P C 0.035 177.371 177.300 0.060 0.000 1.216 246 P CA -0.179 62.953 63.100 0.053 0.000 0.776 246 P CB 1.504 33.241 31.700 0.061 0.000 0.881 247 E N 2.031 122.259 120.200 0.047 0.000 2.147 247 E HA -0.256 4.096 4.350 0.002 0.000 0.199 247 E C 1.763 178.393 176.600 0.050 0.000 1.005 247 E CA 1.793 58.216 56.400 0.039 0.000 0.810 247 E CB -0.352 29.364 29.700 0.026 0.000 0.736 247 E HN 0.635 nan 8.360 nan 0.000 0.460 248 E N -1.013 119.234 120.200 0.077 0.000 2.106 248 E HA -0.177 4.174 4.350 0.002 0.000 0.192 248 E C 1.847 178.524 176.600 0.128 0.000 0.984 248 E CA 0.965 57.429 56.400 0.106 0.000 0.806 248 E CB -0.163 29.644 29.700 0.178 0.000 0.750 248 E HN 0.330 nan 8.360 nan 0.000 0.458 249 A N 1.091 124.007 122.820 0.160 0.000 1.929 249 A HA -0.111 4.210 4.320 0.002 0.000 0.216 249 A C 2.104 179.754 177.584 0.110 0.000 1.176 249 A CA 1.056 53.201 52.037 0.181 0.000 0.628 249 A CB -0.328 18.772 19.000 0.167 0.000 0.816 249 A HN 0.151 nan 8.150 nan 0.000 0.444 250 R N -0.727 119.824 120.500 0.085 0.000 2.091 250 R HA -0.097 4.244 4.340 0.002 0.000 0.238 250 R C 2.213 178.552 176.300 0.065 0.000 1.136 250 R CA 1.850 57.996 56.100 0.077 0.000 0.959 250 R CB -0.761 29.569 30.300 0.049 0.000 0.856 250 R HN 0.515 nan 8.270 nan 0.000 0.437 251 T N 0.827 115.394 114.554 0.023 0.000 2.708 251 T HA -0.126 4.225 4.350 0.002 0.000 0.266 251 T C 1.964 176.637 174.700 -0.045 0.000 1.037 251 T CA 1.460 63.556 62.100 -0.007 0.000 1.146 251 T CB -0.230 68.607 68.868 -0.051 0.000 0.865 251 T HN 0.385 nan 8.240 nan 0.000 0.435 252 A N 0.935 123.673 122.820 -0.136 0.000 1.930 252 A HA 0.035 4.356 4.320 0.002 0.000 0.217 252 A C 2.285 179.824 177.584 -0.076 0.000 1.175 252 A CA 1.043 52.926 52.037 -0.256 0.000 0.627 252 A CB -0.737 17.956 19.000 -0.511 0.000 0.815 252 A HN 0.520 nan 8.150 nan 0.000 0.443 253 I N -1.361 119.239 120.570 0.050 0.000 2.252 253 I HA -0.256 3.915 4.170 0.002 0.000 0.245 253 I C 2.565 178.778 176.117 0.160 0.000 1.102 253 I CA 1.580 62.969 61.300 0.148 0.000 1.385 253 I CB -0.483 37.638 38.000 0.201 0.000 1.064 253 I HN 0.550 nan 8.210 nan 0.000 0.414 254 H N 0.430 119.524 119.070 0.039 0.000 2.357 254 H HA -0.119 4.439 4.556 0.002 0.000 0.301 254 H C 2.376 177.692 175.328 -0.020 0.000 1.082 254 H CA 1.669 57.731 56.048 0.025 0.000 1.342 254 H CB 0.387 30.152 29.762 0.005 0.000 1.389 254 H HN 0.200 nan 8.280 nan 0.000 0.511 255 S N 0.665 116.304 115.700 -0.102 0.000 2.348 255 S HA -0.108 4.363 4.470 0.002 0.000 0.221 255 S C 2.449 176.914 174.600 -0.226 0.000 1.033 255 S CA 1.008 59.096 58.200 -0.188 0.000 1.010 255 S CB -0.280 62.822 63.200 -0.163 0.000 0.891 255 S HN 0.317 nan 8.310 nan 0.000 0.442 256 L N 0.958 122.051 121.223 -0.218 0.000 2.079 256 L HA -0.158 4.183 4.340 0.002 0.000 0.210 256 L C 2.635 179.196 176.870 -0.514 0.000 1.081 256 L CA 1.186 55.795 54.840 -0.385 0.000 0.752 256 L CB -0.959 40.894 42.059 -0.344 0.000 0.896 256 L HN 0.332 nan 8.230 nan 0.000 0.433 257 T N -1.195 113.242 114.554 -0.196 0.000 2.737 257 T HA -0.131 4.220 4.350 0.002 0.000 0.265 257 T C 1.761 176.394 174.700 -0.111 0.000 1.038 257 T CA 1.068 63.164 62.100 -0.006 0.000 1.144 257 T CB -0.057 68.886 68.868 0.125 0.000 0.866 257 T HN 0.266 nan 8.240 nan 0.000 0.434 258 E N 0.943 121.007 120.200 -0.226 0.000 2.285 258 E HA 0.040 4.391 4.350 0.002 0.000 0.194 258 E C 2.100 178.611 176.600 -0.149 0.000 0.997 258 E CA 0.669 56.946 56.400 -0.206 0.000 0.845 258 E CB 0.003 29.507 29.700 -0.327 0.000 0.782 258 E HN 0.460 nan 8.360 nan 0.000 0.491 259 R N -0.689 119.705 120.500 -0.177 0.000 2.335 259 R HA 0.179 4.520 4.340 0.002 0.000 0.210 259 R C 1.492 177.700 176.300 -0.153 0.000 0.892 259 R CA 0.071 56.088 56.100 -0.138 0.000 1.048 259 R CB 0.549 30.768 30.300 -0.135 0.000 1.067 259 R HN -0.001 nan 8.270 nan 0.000 0.524 260 L N -2.271 118.817 121.223 -0.225 0.000 2.692 260 L HA 0.202 4.543 4.340 0.002 0.000 0.175 260 L C 1.084 177.892 176.870 -0.102 0.000 1.112 260 L CA 0.650 55.354 54.840 -0.226 0.000 0.908 260 L CB -0.271 41.562 42.059 -0.377 0.000 1.672 260 L HN -0.156 nan 8.230 nan 0.000 0.500 261 Y N -0.274 120.022 120.300 -0.007 0.000 2.181 261 Y HA -0.111 4.441 4.550 0.003 0.000 0.288 261 Y C 2.725 178.608 175.900 -0.028 0.000 1.146 261 Y CA 1.508 59.612 58.100 0.007 0.000 1.164 261 Y CB -1.319 37.172 38.460 0.053 0.000 0.982 261 Y HN 0.087 nan 8.280 nan 0.000 0.515 262 V N -0.924 119.051 119.914 0.101 0.000 2.490 262 V HA 0.078 4.199 4.120 0.002 0.000 0.250 262 V C 1.111 177.183 176.094 -0.037 0.000 1.061 262 V CA 1.878 64.193 62.300 0.025 0.000 1.064 262 V CB -0.597 31.227 31.823 0.001 0.000 0.670 262 V HN 0.625 nan 8.190 nan 0.000 0.461 263 G N -2.831 105.920 108.800 -0.082 0.000 2.356 263 G HA2 0.542 4.503 3.960 0.002 0.000 0.288 263 G HA3 0.542 4.503 3.960 0.002 0.000 0.288 263 G C -0.368 174.328 174.900 -0.341 0.000 1.302 263 G CA -0.157 44.813 45.100 -0.216 0.000 0.887 263 G HN 1.286 nan 8.290 nan 0.000 0.521 264 G N -1.099 107.212 108.800 -0.815 0.000 2.352 264 G HA2 0.643 4.604 3.960 0.002 0.000 0.302 264 G HA3 0.643 4.604 3.960 0.002 0.000 0.302 264 G C -3.465 170.829 174.900 -1.011 0.000 1.370 264 G CA 0.191 44.793 45.100 -0.830 0.000 0.918 264 G HN 0.904 nan 8.290 nan 0.000 0.610 265 P HA 0.395 nan 4.420 nan 0.000 0.276 265 P C -0.478 176.677 177.300 -0.242 0.000 1.230 265 P CA 0.081 63.041 63.100 -0.234 0.000 0.776 265 P CB 0.867 32.575 31.700 0.012 0.000 0.888 266 M N 2.836 122.218 119.600 -0.363 0.000 2.456 266 M HA 0.515 4.997 4.480 0.002 0.000 0.324 266 M C -0.570 175.468 176.300 -0.437 0.000 1.124 266 M CA -0.552 54.608 55.300 -0.233 0.000 0.959 266 M CB 1.594 34.108 32.600 -0.144 0.000 1.692 266 M HN 0.160 nan 8.290 nan 0.000 0.444 267 F N 0.839 120.770 119.950 -0.031 0.000 2.577 267 F HA 0.464 4.996 4.527 0.008 0.000 0.318 267 F C 0.251 176.048 175.800 -0.005 0.000 1.065 267 F CA -0.995 56.999 58.000 -0.009 0.000 0.929 267 F CB 1.311 40.295 39.000 -0.026 0.000 1.237 267 F HN 0.601 nan 8.300 nan 0.000 0.468 268 N N -0.908 117.906 118.700 0.190 0.000 2.405 268 N HA 0.163 4.904 4.740 0.002 0.000 0.269 268 N C 0.806 176.381 175.510 0.107 0.000 1.249 268 N CA -0.117 53.007 53.050 0.123 0.000 0.974 268 N CB 0.180 38.726 38.487 0.098 0.000 1.204 268 N HN 0.542 nan 8.380 nan 0.000 0.565 269 S N -0.980 114.769 115.700 0.082 0.000 2.440 269 S HA -0.175 4.296 4.470 0.002 0.000 0.238 269 S C 1.060 175.690 174.600 0.051 0.000 1.010 269 S CA 0.896 59.136 58.200 0.066 0.000 0.972 269 S CB -0.482 62.758 63.200 0.067 0.000 0.774 269 S HN 0.633 nan 8.310 nan 0.000 0.501 270 K N 0.514 120.950 120.400 0.060 0.000 2.426 270 K HA 0.263 4.585 4.320 0.002 0.000 0.193 270 K C 1.419 178.050 176.600 0.052 0.000 1.028 270 K CA 0.398 56.714 56.287 0.048 0.000 1.047 270 K CB -0.105 32.425 32.500 0.050 0.000 0.821 270 K HN 0.562 nan 8.250 nan 0.000 0.513 271 G N 1.424 110.272 108.800 0.079 0.000 2.195 271 G HA2 -0.293 3.668 3.960 0.002 0.000 0.246 271 G HA3 -0.293 3.668 3.960 0.002 0.000 0.246 271 G C -0.157 174.881 174.900 0.229 0.000 0.984 271 G CA -0.183 44.965 45.100 0.079 0.000 0.633 271 G HN 0.346 nan 8.290 nan 0.000 0.525 272 Q N 0.799 120.724 119.800 0.208 0.000 2.352 272 Q HA 0.468 4.809 4.340 0.002 0.000 0.260 272 Q C 0.610 176.753 176.000 0.239 0.000 0.976 272 Q CA 0.391 56.316 55.803 0.203 0.000 0.881 272 Q CB 1.165 29.971 28.738 0.112 0.000 1.235 272 Q HN 0.265 nan 8.270 nan 0.000 0.419 273 S N 1.049 116.832 115.700 0.139 0.000 2.498 273 S HA -0.006 4.465 4.470 0.002 0.000 0.281 273 S C 0.517 175.037 174.600 -0.133 0.000 1.265 273 S CA -0.520 57.559 58.200 -0.202 0.000 1.071 273 S CB 0.130 63.262 63.200 -0.113 0.000 0.894 273 S HN 0.813 nan 8.310 nan 0.000 0.491 274 C N 4.409 123.586 119.300 -0.206 0.000 2.609 274 C HA 0.640 5.101 4.460 0.002 0.000 0.305 274 C C 1.238 176.259 174.990 0.052 0.000 1.319 274 C CA 0.730 59.749 59.018 0.003 0.000 1.793 274 C CB -0.970 26.813 27.740 0.070 0.000 2.260 274 C HN 1.050 nan 8.230 nan 0.000 0.535 275 G N -1.643 107.078 108.800 -0.133 0.000 2.323 275 G HA2 0.365 4.326 3.960 0.002 0.000 0.291 275 G HA3 0.365 4.326 3.960 0.002 0.000 0.291 275 G C -2.317 172.472 174.900 -0.185 0.000 1.278 275 G CA -0.307 44.685 45.100 -0.179 0.000 0.860 275 G HN 0.104 nan 8.290 nan 0.000 0.504 276 Y N 0.631 120.718 120.300 -0.355 0.000 2.406 276 Y HA 0.744 5.295 4.550 0.001 0.000 0.340 276 Y C 0.205 175.929 175.900 -0.294 0.000 0.975 276 Y CA -0.865 57.072 58.100 -0.273 0.000 1.056 276 Y CB 1.917 40.248 38.460 -0.215 0.000 1.210 276 Y HN 0.686 nan 8.280 nan 0.000 0.448 277 R N 4.665 124.829 120.500 -0.561 0.000 2.428 277 R HA 0.554 4.895 4.340 0.002 0.000 0.294 277 R C -0.534 175.503 176.300 -0.438 0.000 1.000 277 R CA -0.499 55.298 56.100 -0.505 0.000 0.960 277 R CB 0.834 30.908 30.300 -0.375 0.000 1.076 277 R HN 0.912 nan 8.270 nan 0.000 0.475 278 R N 3.012 123.251 120.500 -0.435 0.000 2.615 278 R HA 0.208 4.549 4.340 0.002 0.000 0.448 278 R C -0.658 175.466 176.300 -0.294 0.000 1.009 278 R CA -0.286 55.661 56.100 -0.255 0.000 1.111 278 R CB 0.515 30.718 30.300 -0.161 0.000 1.461 278 R HN 0.798 nan 8.270 nan 0.000 0.587 279 C N -1.788 117.292 119.300 -0.366 0.000 3.295 279 C HA 0.603 5.064 4.460 0.002 0.000 0.370 279 C C -0.249 174.649 174.990 -0.154 0.000 1.974 279 C CA -1.470 57.384 59.018 -0.274 0.000 1.282 279 C CB 1.139 28.654 27.740 -0.376 0.000 2.380 279 C HN 0.316 nan 8.230 nan 0.000 0.443 280 R N 1.210 121.671 120.500 -0.064 0.000 2.484 280 R HA 0.487 4.828 4.340 0.002 0.000 0.293 280 R C 0.018 176.358 176.300 0.067 0.000 1.023 280 R CA 0.871 56.990 56.100 0.033 0.000 1.037 280 R CB -0.112 30.246 30.300 0.096 0.000 0.951 280 R HN 1.140 nan 8.270 nan 0.000 0.418 281 A N 3.775 126.651 122.820 0.093 0.000 2.320 281 A HA 0.261 4.582 4.320 0.002 0.000 0.287 281 A C 0.799 178.472 177.584 0.150 0.000 1.181 281 A CA -0.287 51.826 52.037 0.127 0.000 0.831 281 A CB 0.689 19.771 19.000 0.138 0.000 1.102 281 A HN 0.992 nan 8.150 nan 0.000 0.513 282 S N 2.457 118.256 115.700 0.166 0.000 2.402 282 S HA -0.061 4.411 4.470 0.002 0.000 0.229 282 S C 1.395 176.078 174.600 0.139 0.000 1.021 282 S CA 1.241 59.532 58.200 0.153 0.000 0.974 282 S CB 0.013 63.308 63.200 0.159 0.000 0.800 282 S HN 1.083 nan 8.310 nan 0.000 0.484 283 G N 2.148 111.057 108.800 0.181 0.000 3.814 283 G HA2 0.468 4.429 3.960 0.002 0.000 0.293 283 G HA3 0.468 4.429 3.960 0.002 0.000 0.293 283 G C 0.027 175.046 174.900 0.198 0.000 1.243 283 G CA -0.292 44.919 45.100 0.186 0.000 1.053 283 G HN 0.411 nan 8.290 nan 0.000 0.562 284 V N -2.538 117.482 119.914 0.177 0.000 2.769 284 V HA 0.478 4.599 4.120 0.002 0.000 0.312 284 V C 1.490 177.664 176.094 0.132 0.000 1.058 284 V CA -0.971 61.459 62.300 0.216 0.000 0.952 284 V CB 1.969 33.998 31.823 0.343 0.000 1.019 284 V HN 0.094 nan 8.190 nan 0.000 0.445 285 L N 2.321 123.637 121.223 0.155 0.000 2.051 285 L HA -0.159 4.182 4.340 0.002 0.000 0.214 285 L C 2.497 179.359 176.870 -0.013 0.000 1.076 285 L CA 2.862 57.755 54.840 0.089 0.000 0.758 285 L CB -0.182 41.959 42.059 0.136 0.000 0.890 285 L HN 1.133 nan 8.230 nan 0.000 0.433 286 T N -5.875 108.601 114.554 -0.130 0.000 3.148 286 T HA -0.108 4.243 4.350 0.002 0.000 0.253 286 T C 1.652 176.295 174.700 -0.096 0.000 1.134 286 T CA 0.890 62.867 62.100 -0.206 0.000 1.051 286 T CB -0.242 68.347 68.868 -0.465 0.000 0.959 286 T HN 0.303 nan 8.240 nan 0.000 0.525 287 T N 1.411 115.943 114.554 -0.036 0.000 2.684 287 T HA -0.190 4.161 4.350 0.002 0.000 0.267 287 T C 2.168 176.913 174.700 0.075 0.000 1.036 287 T CA 2.098 64.220 62.100 0.037 0.000 1.148 287 T CB -0.867 68.041 68.868 0.067 0.000 0.863 287 T HN 0.520 nan 8.240 nan 0.000 0.436 288 S N -0.173 115.557 115.700 0.050 0.000 2.368 288 S HA -0.069 4.402 4.470 0.002 0.000 0.224 288 S C 2.192 176.883 174.600 0.152 0.000 1.029 288 S CA 1.726 59.980 58.200 0.090 0.000 0.988 288 S CB -0.508 62.682 63.200 -0.017 0.000 0.838 288 S HN 0.678 nan 8.310 nan 0.000 0.462 289 M N 0.712 120.363 119.600 0.086 0.000 2.099 289 M HA 0.064 4.545 4.480 0.002 0.000 0.262 289 M C 2.099 178.475 176.300 0.128 0.000 1.067 289 M CA 1.903 57.254 55.300 0.084 0.000 1.124 289 M CB -0.901 31.695 32.600 -0.006 0.000 1.353 289 M HN 0.402 nan 8.290 nan 0.000 0.410 290 G N 0.671 109.549 108.800 0.131 0.000 2.421 290 G HA2 -0.261 3.700 3.960 0.002 0.000 0.216 290 G HA3 -0.261 3.700 3.960 0.002 0.000 0.216 290 G C 1.214 176.233 174.900 0.198 0.000 1.171 290 G CA 1.151 46.346 45.100 0.159 0.000 0.775 290 G HN 0.466 nan 8.290 nan 0.000 0.543 291 N N 0.422 119.255 118.700 0.222 0.000 2.058 291 N HA -0.088 4.653 4.740 0.002 0.000 0.191 291 N C 2.421 178.028 175.510 0.161 0.000 1.037 291 N CA 1.676 54.899 53.050 0.288 0.000 0.848 291 N CB -0.994 37.607 38.487 0.190 0.000 1.021 291 N HN 0.214 nan 8.380 nan 0.000 0.422 292 T N 1.926 116.566 114.554 0.143 0.000 2.635 292 T HA -0.056 4.295 4.350 0.002 0.000 0.267 292 T C 2.079 176.866 174.700 0.146 0.000 1.040 292 T CA 0.978 63.159 62.100 0.135 0.000 1.156 292 T CB -0.273 68.735 68.868 0.235 0.000 0.863 292 T HN 0.190 nan 8.240 nan 0.000 0.430 293 I N 0.734 121.386 120.570 0.136 0.000 2.315 293 I HA -0.131 4.040 4.170 0.002 0.000 0.248 293 I C 2.618 178.850 176.117 0.192 0.000 1.117 293 I CA 1.027 62.408 61.300 0.134 0.000 1.404 293 I CB -0.479 37.573 38.000 0.087 0.000 1.071 293 I HN 0.245 nan 8.210 nan 0.000 0.419 294 T N -0.439 114.243 114.554 0.214 0.000 2.904 294 T HA -0.179 4.172 4.350 0.002 0.000 0.267 294 T C 2.016 176.911 174.700 0.325 0.000 1.059 294 T CA 1.170 63.421 62.100 0.251 0.000 1.137 294 T CB -0.354 68.685 68.868 0.286 0.000 0.879 294 T HN 0.500 nan 8.240 nan 0.000 0.467 295 C N 0.558 120.069 119.300 0.352 0.000 2.457 295 C HA -0.016 4.445 4.460 0.002 0.000 0.278 295 C C 2.329 177.475 174.990 0.261 0.000 1.309 295 C CA 0.165 59.376 59.018 0.322 0.000 1.735 295 C CB -1.374 26.417 27.740 0.085 0.000 1.992 295 C HN 0.628 nan 8.230 nan 0.000 0.493 296 Y N 1.405 121.764 120.300 0.099 0.000 2.114 296 Y HA -0.107 4.444 4.550 0.002 0.000 0.284 296 Y C 2.301 178.231 175.900 0.049 0.000 1.143 296 Y CA 2.320 60.461 58.100 0.068 0.000 1.135 296 Y CB -0.684 37.803 38.460 0.044 0.000 0.980 296 Y HN 0.189 nan 8.280 nan 0.000 0.499 297 V N 0.968 120.921 119.914 0.066 0.000 2.233 297 V HA -0.379 3.742 4.120 0.002 0.000 0.247 297 V C 2.306 178.314 176.094 -0.142 0.000 1.050 297 V CA 2.570 64.796 62.300 -0.123 0.000 1.010 297 V CB -0.718 31.025 31.823 -0.133 0.000 0.637 297 V HN 0.357 nan 8.190 nan 0.000 0.444 298 K N 0.297 120.703 120.400 0.010 0.000 2.063 298 K HA -0.166 4.155 4.320 0.002 0.000 0.208 298 K C 2.297 178.952 176.600 0.093 0.000 1.048 298 K CA 1.576 57.912 56.287 0.082 0.000 0.928 298 K CB -0.491 32.159 32.500 0.249 0.000 0.713 298 K HN 0.487 nan 8.250 nan 0.000 0.442 299 A N 1.468 124.324 122.820 0.060 0.000 1.933 299 A HA -0.123 4.198 4.320 0.002 0.000 0.218 299 A C 2.124 179.734 177.584 0.043 0.000 1.175 299 A CA 1.127 53.211 52.037 0.078 0.000 0.628 299 A CB -0.534 18.564 19.000 0.163 0.000 0.814 299 A HN 0.197 nan 8.150 nan 0.000 0.444 300 L N -1.018 120.122 121.223 -0.138 0.000 2.093 300 L HA -0.142 4.199 4.340 0.002 0.000 0.208 300 L C 3.012 179.838 176.870 -0.074 0.000 1.085 300 L CA 1.031 55.761 54.840 -0.184 0.000 0.755 300 L CB -0.354 41.450 42.059 -0.424 0.000 0.904 300 L HN 0.454 nan 8.230 nan 0.000 0.435 301 A N -0.428 122.364 122.820 -0.048 0.000 1.930 301 A HA -0.127 4.194 4.320 0.002 0.000 0.217 301 A C 2.443 180.061 177.584 0.056 0.000 1.175 301 A CA 1.445 53.511 52.037 0.048 0.000 0.627 301 A CB -0.588 18.449 19.000 0.062 0.000 0.815 301 A HN 0.447 nan 8.150 nan 0.000 0.443 302 A N -0.761 122.106 122.820 0.077 0.000 1.877 302 A HA -0.194 4.127 4.320 0.002 0.000 0.216 302 A C 2.313 179.865 177.584 -0.053 0.000 1.186 302 A CA 1.698 53.637 52.037 -0.164 0.000 0.620 302 A CB -1.374 17.202 19.000 -0.706 0.000 0.822 302 A HN 0.585 nan 8.150 nan 0.000 0.443 303 C N -0.566 118.823 119.300 0.147 0.000 2.398 303 C HA -0.135 4.326 4.460 0.002 0.000 0.276 303 C C 2.781 177.774 174.990 0.004 0.000 1.222 303 C CA 1.475 60.613 59.018 0.200 0.000 1.746 303 C CB -1.091 26.741 27.740 0.154 0.000 2.039 303 C HN 0.623 nan 8.230 nan 0.000 0.470 304 K N 0.948 121.287 120.400 -0.102 0.000 2.002 304 K HA -0.110 4.212 4.320 0.002 0.000 0.209 304 K C 2.300 178.593 176.600 -0.511 0.000 1.048 304 K CA 1.610 57.770 56.287 -0.212 0.000 0.930 304 K CB -0.420 31.995 32.500 -0.141 0.000 0.714 304 K HN 0.471 nan 8.250 nan 0.000 0.438 305 A N 1.464 123.756 122.820 -0.880 0.000 1.940 305 A HA -0.141 4.180 4.320 0.002 0.000 0.219 305 A C 2.275 179.660 177.584 -0.332 0.000 1.176 305 A CA 1.987 53.440 52.037 -0.974 0.000 0.631 305 A CB -0.583 18.023 19.000 -0.657 0.000 0.814 305 A HN 0.366 nan 8.150 nan 0.000 0.446 306 A N -2.030 120.681 122.820 -0.181 0.000 2.169 306 A HA 0.410 4.731 4.320 0.002 0.000 0.212 306 A C 1.786 179.357 177.584 -0.021 0.000 1.153 306 A CA 1.222 53.231 52.037 -0.047 0.000 0.756 306 A CB -0.817 18.223 19.000 0.066 0.000 0.813 306 A HN 1.955 nan 8.150 nan 0.000 0.471 307 G N -0.363 108.413 108.800 -0.041 0.000 2.182 307 G HA2 -0.178 3.783 3.960 0.002 0.000 0.248 307 G HA3 -0.178 3.783 3.960 0.002 0.000 0.248 307 G C -0.049 174.860 174.900 0.015 0.000 1.042 307 G CA 0.031 45.126 45.100 -0.009 0.000 0.775 307 G HN 0.293 nan 8.290 nan 0.000 0.501 308 I N 0.714 121.305 120.570 0.035 0.000 2.598 308 I HA 0.109 4.280 4.170 0.002 0.000 0.284 308 I C 1.164 177.297 176.117 0.026 0.000 1.140 308 I CA -0.148 61.182 61.300 0.049 0.000 1.420 308 I CB 0.970 39.025 38.000 0.092 0.000 1.387 308 I HN -0.061 nan 8.210 nan 0.000 0.553 309 V N 6.641 126.564 119.914 0.016 0.000 2.408 309 V HA 0.352 4.473 4.120 0.002 0.000 0.267 309 V C 0.868 176.957 176.094 -0.010 0.000 1.047 309 V CA -0.555 61.747 62.300 0.002 0.000 0.937 309 V CB 0.725 32.545 31.823 -0.004 0.000 0.999 309 V HN 1.001 nan 8.190 nan 0.000 0.472 310 A N 6.067 128.882 122.820 -0.008 0.000 2.416 310 A HA -0.096 4.225 4.320 0.002 0.000 0.293 310 A C -1.743 175.828 177.584 -0.021 0.000 1.452 310 A CA 0.167 52.194 52.037 -0.016 0.000 0.738 310 A CB -1.455 17.526 19.000 -0.031 0.000 1.123 310 A HN 0.649 nan 8.150 nan 0.000 0.389 311 P HA 0.439 nan 4.420 nan 0.000 0.285 311 P C -0.194 177.109 177.300 0.004 0.000 1.259 311 P CA 0.320 63.412 63.100 -0.012 0.000 0.794 311 P CB 1.614 33.314 31.700 0.001 0.000 0.940 312 T N 3.389 117.943 114.554 -0.000 0.000 2.847 312 T HA 0.651 5.002 4.350 0.002 0.000 0.291 312 T C -0.097 174.657 174.700 0.091 0.000 0.998 312 T CA -0.740 61.393 62.100 0.055 0.000 0.967 312 T CB -0.131 68.735 68.868 -0.002 0.000 0.954 312 T HN 0.356 nan 8.240 nan 0.000 0.441 313 M N 3.598 123.294 119.600 0.160 0.000 2.705 313 M HA 0.832 5.313 4.480 0.002 0.000 0.311 313 M C -1.461 174.961 176.300 0.204 0.000 1.214 313 M CA -1.355 54.030 55.300 0.142 0.000 0.920 313 M CB 1.821 34.487 32.600 0.110 0.000 1.687 313 M HN 0.451 nan 8.290 nan 0.000 0.481 314 L N 1.872 123.152 121.223 0.094 0.000 2.441 314 L HA 0.645 4.986 4.340 0.002 0.000 0.270 314 L C -1.585 175.249 176.870 -0.059 0.000 0.973 314 L CA -0.408 54.413 54.840 -0.031 0.000 0.842 314 L CB 2.056 44.073 42.059 -0.069 0.000 1.239 314 L HN 0.664 nan 8.230 nan 0.000 0.406 315 V N 3.822 123.685 119.914 -0.085 0.000 2.483 315 V HA 0.451 4.572 4.120 0.002 0.000 0.295 315 V C -0.312 175.603 176.094 -0.298 0.000 1.035 315 V CA -0.438 61.804 62.300 -0.095 0.000 0.896 315 V CB 1.617 33.460 31.823 0.033 0.000 0.986 315 V HN 0.866 nan 8.190 nan 0.000 0.447 316 c N 4.809 123.215 118.600 -0.322 0.000 3.445 316 c HA 0.694 5.265 4.570 0.002 0.000 0.213 316 c C 1.141 175.095 174.090 -0.227 0.000 1.319 316 c CA 0.217 56.184 56.329 -0.604 0.000 1.402 316 c CB -0.999 41.199 42.510 -0.521 0.000 1.819 316 c HN 1.367 nan 8.230 nan 0.000 0.491 317 G N 3.169 111.927 108.800 -0.070 0.000 2.588 317 G HA2 -0.273 3.688 3.960 0.002 0.000 0.273 317 G HA3 -0.273 3.688 3.960 0.002 0.000 0.273 317 G C 0.778 175.531 174.900 -0.246 0.000 1.211 317 G CA 0.714 45.827 45.100 0.022 0.000 0.958 317 G HN 0.593 nan 8.290 nan 0.000 0.543 318 D N 1.342 121.553 120.400 -0.315 0.000 2.349 318 D HA 0.147 4.788 4.640 0.002 0.000 0.214 318 D C 0.225 176.413 176.300 -0.187 0.000 1.063 318 D CA 0.745 54.389 54.000 -0.593 0.000 0.847 318 D CB 0.124 40.615 40.800 -0.514 0.000 0.933 318 D HN 0.353 nan 8.370 nan 0.000 0.513 319 D N 0.981 121.326 120.400 -0.091 0.000 2.249 319 D HA 0.347 4.988 4.640 0.002 0.000 0.246 319 D C -0.985 175.308 176.300 -0.011 0.000 1.114 319 D CA -0.574 53.416 54.000 -0.016 0.000 0.854 319 D CB 1.145 41.935 40.800 -0.018 0.000 1.132 319 D HN 0.091 nan 8.370 nan 0.000 0.461 320 L N 4.336 125.597 121.223 0.065 0.000 2.408 320 L HA 0.584 4.925 4.340 0.002 0.000 0.268 320 L C -1.698 175.173 176.870 0.002 0.000 0.986 320 L CA -0.660 54.217 54.840 0.062 0.000 0.820 320 L CB 2.106 44.266 42.059 0.169 0.000 1.303 320 L HN 0.220 nan 8.230 nan 0.000 0.411 321 V N 5.062 124.931 119.914 -0.075 0.000 2.604 321 V HA 0.701 4.822 4.120 0.002 0.000 0.305 321 V C -0.864 175.062 176.094 -0.280 0.000 1.043 321 V CA -0.622 61.574 62.300 -0.174 0.000 0.888 321 V CB 2.182 33.954 31.823 -0.084 0.000 0.995 321 V HN 0.545 nan 8.190 nan 0.000 0.429 322 V N 6.033 125.590 119.914 -0.596 0.000 2.525 322 V HA 0.551 4.673 4.120 0.002 0.000 0.299 322 V C -0.564 175.285 176.094 -0.408 0.000 1.034 322 V CA -0.366 61.579 62.300 -0.591 0.000 0.863 322 V CB 1.892 33.095 31.823 -1.034 0.000 0.999 322 V HN 0.691 nan 8.190 nan 0.000 0.423 323 I N 4.779 125.251 120.570 -0.162 0.000 2.389 323 I HA 0.656 4.827 4.170 0.002 0.000 0.288 323 I C 0.234 176.300 176.117 -0.085 0.000 0.999 323 I CA 0.098 61.361 61.300 -0.062 0.000 1.129 323 I CB 1.974 39.999 38.000 0.042 0.000 1.288 323 I HN 0.803 nan 8.210 nan 0.000 0.444 324 S N 4.244 119.889 115.700 -0.091 0.000 2.851 324 S HA 0.536 5.007 4.470 0.002 0.000 0.313 324 S C -0.829 173.702 174.600 -0.115 0.000 1.163 324 S CA -1.038 57.113 58.200 -0.081 0.000 0.850 324 S CB 1.734 64.918 63.200 -0.027 0.000 1.245 324 S HN 0.388 nan 8.310 nan 0.000 0.558 325 E N 1.845 121.997 120.200 -0.081 0.000 2.259 325 E HA 0.317 4.668 4.350 0.002 0.000 0.281 325 E C -0.220 176.354 176.600 -0.043 0.000 1.037 325 E CA -0.020 56.330 56.400 -0.084 0.000 0.854 325 E CB 1.526 31.189 29.700 -0.061 0.000 1.051 325 E HN 0.563 nan 8.360 nan 0.000 0.409 326 S N 2.562 118.240 115.700 -0.037 0.000 2.562 326 S HA -0.001 4.471 4.470 0.002 0.000 0.281 326 S C 0.543 175.157 174.600 0.023 0.000 1.333 326 S CA -0.132 58.093 58.200 0.041 0.000 1.052 326 S CB 0.409 63.677 63.200 0.112 0.000 0.884 326 S HN 0.289 nan 8.310 nan 0.000 0.506 327 Q N 2.197 122.021 119.800 0.040 0.000 2.155 327 Q HA 0.299 4.640 4.340 0.002 0.000 0.220 327 Q C 0.614 176.625 176.000 0.017 0.000 0.819 327 Q CA 0.480 56.294 55.803 0.019 0.000 1.032 327 Q CB 0.496 29.244 28.738 0.017 0.000 1.151 327 Q HN 1.060 nan 8.270 nan 0.000 0.487 328 G N 0.854 109.669 108.800 0.025 0.000 2.788 328 G HA2 -0.258 3.703 3.960 0.002 0.000 0.686 328 G HA3 -0.258 3.703 3.960 0.002 0.000 0.686 328 G C 0.711 175.627 174.900 0.027 0.000 1.147 328 G CA -0.026 45.073 45.100 -0.003 0.000 0.755 328 G HN 0.121 nan 8.290 nan 0.000 0.634 329 T N -0.851 113.697 114.554 -0.010 0.000 2.699 329 T HA -0.205 4.146 4.350 0.002 0.000 0.268 329 T C 1.804 176.536 174.700 0.053 0.000 1.036 329 T CA 2.422 64.551 62.100 0.048 0.000 1.147 329 T CB -0.173 68.675 68.868 -0.034 0.000 0.862 329 T HN 0.708 nan 8.240 nan 0.000 0.446 330 E N 1.115 121.326 120.200 0.018 0.000 2.031 330 E HA -0.100 4.251 4.350 0.002 0.000 0.193 330 E C 2.287 178.897 176.600 0.018 0.000 0.994 330 E CA 1.468 57.877 56.400 0.014 0.000 0.800 330 E CB -0.360 29.341 29.700 0.003 0.000 0.752 330 E HN 0.635 nan 8.360 nan 0.000 0.447 331 E N 0.420 120.631 120.200 0.018 0.000 2.106 331 E HA -0.166 4.185 4.350 0.002 0.000 0.192 331 E C 1.371 177.983 176.600 0.020 0.000 0.984 331 E CA 1.442 57.851 56.400 0.016 0.000 0.806 331 E CB -0.184 29.524 29.700 0.014 0.000 0.750 331 E HN 0.237 nan 8.360 nan 0.000 0.458 332 D N 0.362 120.788 120.400 0.043 0.000 2.144 332 D HA -0.151 4.490 4.640 0.002 0.000 0.199 332 D C 1.619 177.917 176.300 -0.004 0.000 0.984 332 D CA 1.054 55.079 54.000 0.042 0.000 0.834 332 D CB -0.116 40.759 40.800 0.125 0.000 0.955 332 D HN 0.410 nan 8.370 nan 0.000 0.465 333 E N 0.199 120.407 120.200 0.012 0.000 2.150 333 E HA -0.110 4.241 4.350 0.002 0.000 0.193 333 E C 2.150 178.734 176.600 -0.027 0.000 0.985 333 E CA 0.304 56.695 56.400 -0.014 0.000 0.814 333 E CB 0.114 29.819 29.700 0.009 0.000 0.752 333 E HN 0.134 nan 8.360 nan 0.000 0.466 334 R N 1.047 121.540 120.500 -0.012 0.000 2.075 334 R HA -0.080 4.262 4.340 0.002 0.000 0.232 334 R C 1.770 178.060 176.300 -0.016 0.000 1.126 334 R CA 1.531 57.625 56.100 -0.010 0.000 0.963 334 R CB -0.033 30.266 30.300 -0.002 0.000 0.858 334 R HN 0.159 nan 8.270 nan 0.000 0.435 335 N N 0.038 118.726 118.700 -0.019 0.000 2.244 335 N HA -0.136 4.605 4.740 0.002 0.000 0.183 335 N C 1.775 177.262 175.510 -0.038 0.000 1.016 335 N CA 0.733 53.774 53.050 -0.015 0.000 0.866 335 N CB 0.038 38.520 38.487 -0.008 0.000 0.980 335 N HN 0.196 nan 8.380 nan 0.000 0.430 336 L N 0.924 122.074 121.223 -0.122 0.000 2.072 336 L HA -0.081 4.260 4.340 0.002 0.000 0.205 336 L C 2.449 179.289 176.870 -0.050 0.000 1.079 336 L CA 0.990 55.688 54.840 -0.238 0.000 0.752 336 L CB -0.132 41.701 42.059 -0.378 0.000 0.906 336 L HN 0.170 nan 8.230 nan 0.000 0.436 337 R N -0.499 119.984 120.500 -0.029 0.000 2.081 337 R HA -0.157 4.185 4.340 0.002 0.000 0.235 337 R C 2.334 178.643 176.300 0.015 0.000 1.131 337 R CA 1.357 57.460 56.100 0.005 0.000 0.960 337 R CB -0.419 29.877 30.300 -0.007 0.000 0.856 337 R HN 0.354 nan 8.270 nan 0.000 0.436 338 A N 0.845 123.670 122.820 0.008 0.000 1.908 338 A HA -0.216 4.105 4.320 0.002 0.000 0.218 338 A C 1.964 179.539 177.584 -0.014 0.000 1.181 338 A CA 1.286 53.317 52.037 -0.010 0.000 0.627 338 A CB -0.680 18.315 19.000 -0.008 0.000 0.818 338 A HN 0.403 nan 8.150 nan 0.000 0.445 339 F N 1.278 121.156 119.950 -0.120 0.000 2.102 339 F HA -0.160 4.368 4.527 0.002 0.000 0.298 339 F C 2.433 178.153 175.800 -0.133 0.000 1.105 339 F CA 2.364 60.285 58.000 -0.132 0.000 1.239 339 F CB -0.707 38.212 39.000 -0.135 0.000 0.991 339 F HN 0.193 nan 8.300 nan 0.000 0.474 340 T N 0.188 114.832 114.554 0.150 0.000 2.788 340 T HA -0.190 4.161 4.350 0.002 0.000 0.268 340 T C 1.702 176.382 174.700 -0.033 0.000 1.044 340 T CA 1.804 63.991 62.100 0.146 0.000 1.139 340 T CB -0.328 68.687 68.868 0.245 0.000 0.867 340 T HN 0.407 nan 8.240 nan 0.000 0.454 341 E N 0.928 121.085 120.200 -0.070 0.000 2.110 341 E HA -0.039 4.313 4.350 0.002 0.000 0.193 341 E C 2.520 178.983 176.600 -0.227 0.000 0.988 341 E CA 0.958 57.293 56.400 -0.108 0.000 0.804 341 E CB -0.182 29.470 29.700 -0.079 0.000 0.745 341 E HN 0.476 nan 8.360 nan 0.000 0.458 342 A N 1.164 123.777 122.820 -0.344 0.000 1.873 342 A HA -0.165 4.156 4.320 0.002 0.000 0.215 342 A C 2.149 179.234 177.584 -0.833 0.000 1.186 342 A CA 1.104 52.777 52.037 -0.606 0.000 0.616 342 A CB -0.288 18.367 19.000 -0.576 0.000 0.823 342 A HN 0.105 nan 8.150 nan 0.000 0.442 343 M N -0.064 119.169 119.600 -0.612 0.000 2.106 343 M HA -0.135 4.346 4.480 0.002 0.000 0.259 343 M C 2.184 178.392 176.300 -0.153 0.000 1.068 343 M CA 2.145 57.223 55.300 -0.371 0.000 1.100 343 M CB -1.964 30.408 32.600 -0.379 0.000 1.351 343 M HN 0.465 nan 8.290 nan 0.000 0.404 344 T N 0.054 114.532 114.554 -0.126 0.000 2.746 344 T HA -0.124 4.227 4.350 0.002 0.000 0.267 344 T C 1.961 176.613 174.700 -0.079 0.000 1.039 344 T CA 1.144 63.214 62.100 -0.049 0.000 1.142 344 T CB -0.201 68.646 68.868 -0.036 0.000 0.866 344 T HN 0.389 nan 8.240 nan 0.000 0.444 345 R N 0.108 120.496 120.500 -0.187 0.000 2.096 345 R HA -0.070 4.271 4.340 0.002 0.000 0.235 345 R C 1.879 178.163 176.300 -0.027 0.000 1.127 345 R CA 1.204 57.217 56.100 -0.146 0.000 0.968 345 R CB -0.365 29.795 30.300 -0.233 0.000 0.861 345 R HN 0.430 nan 8.270 nan 0.000 0.440 346 Y N 0.323 120.589 120.300 -0.056 0.000 2.578 346 Y HA 0.046 4.597 4.550 0.002 0.000 0.297 346 Y C 0.958 176.825 175.900 -0.055 0.000 1.176 346 Y CA -0.158 57.897 58.100 -0.075 0.000 1.315 346 Y CB -0.405 38.038 38.460 -0.029 0.000 1.031 346 Y HN -0.004 nan 8.280 nan 0.000 0.524 347 S N -0.379 115.379 115.700 0.097 0.000 3.968 347 S HA -0.104 4.367 4.470 0.002 0.000 0.373 347 S C -0.014 174.622 174.600 0.061 0.000 0.974 347 S CA 0.448 58.687 58.200 0.064 0.000 1.124 347 S CB -1.438 61.782 63.200 0.033 0.000 0.862 347 S HN 0.709 nan 8.310 nan 0.000 0.492 348 A N 1.850 124.733 122.820 0.105 0.000 3.410 348 A HA 0.574 4.895 4.320 0.002 0.000 0.276 348 A C -2.023 175.708 177.584 0.245 0.000 0.995 348 A CA -0.679 51.459 52.037 0.169 0.000 0.934 348 A CB 0.835 19.997 19.000 0.270 0.000 1.191 348 A HN 0.473 nan 8.150 nan 0.000 0.511 349 P HA 0.255 nan 4.420 nan 0.000 0.270 349 P C -2.964 174.409 177.300 0.121 0.000 1.223 349 P CA -0.716 62.453 63.100 0.115 0.000 0.785 349 P CB 0.612 32.314 31.700 0.003 0.000 0.923 350 P HA 0.192 nan 4.420 nan 0.000 0.290 350 P C 0.430 177.657 177.300 -0.121 0.000 1.283 350 P CA -0.214 62.781 63.100 -0.175 0.000 0.869 350 P CB 1.661 33.215 31.700 -0.243 0.000 1.100 351 G N 2.073 110.791 108.800 -0.136 0.000 2.655 351 G HA2 0.018 3.979 3.960 0.002 0.000 0.217 351 G HA3 0.018 3.979 3.960 0.002 0.000 0.217 351 G C -0.530 174.319 174.900 -0.086 0.000 1.279 351 G CA 0.143 45.193 45.100 -0.082 0.000 0.870 351 G HN 0.496 nan 8.290 nan 0.000 0.560 352 D N 2.504 122.850 120.400 -0.090 0.000 2.312 352 D HA 0.376 5.017 4.640 0.002 0.000 0.252 352 D C -2.139 174.110 176.300 -0.084 0.000 1.150 352 D CA -1.068 52.891 54.000 -0.069 0.000 0.870 352 D CB 1.462 42.233 40.800 -0.049 0.000 1.153 352 D HN 0.138 nan 8.370 nan 0.000 0.457 353 P HA 0.072 nan 4.420 nan 0.000 0.266 353 P C -2.443 174.843 177.300 -0.025 0.000 1.195 353 P CA -0.971 62.106 63.100 -0.037 0.000 0.768 353 P CB -0.011 31.677 31.700 -0.020 0.000 0.838 354 P HA 0.266 nan 4.420 nan 0.000 0.277 354 P C -0.539 176.739 177.300 -0.037 0.000 1.240 354 P CA -0.250 62.864 63.100 0.023 0.000 0.798 354 P CB 0.997 32.756 31.700 0.098 0.000 0.979 355 R N 1.467 121.957 120.500 -0.016 0.000 2.651 355 R HA 0.606 4.948 4.340 0.002 0.000 0.278 355 R C -2.850 173.437 176.300 -0.022 0.000 1.010 355 R CA -2.284 53.799 56.100 -0.029 0.000 0.896 355 R CB 1.276 31.578 30.300 0.004 0.000 1.211 355 R HN 0.229 nan 8.270 nan 0.000 0.456 356 P HA 0.054 nan 4.420 nan 0.000 0.271 356 P C -0.966 176.207 177.300 -0.212 0.000 1.216 356 P CA 0.097 63.118 63.100 -0.132 0.000 0.776 356 P CB 0.913 32.538 31.700 -0.125 0.000 0.881 357 E N 2.090 122.097 120.200 -0.321 0.000 2.238 357 E HA 0.234 4.585 4.350 0.002 0.000 0.267 357 E C -0.646 175.736 176.600 -0.363 0.000 0.887 357 E CA -0.482 55.782 56.400 -0.227 0.000 0.769 357 E CB 1.461 31.120 29.700 -0.067 0.000 1.187 357 E HN 0.468 nan 8.360 nan 0.000 0.416 358 Y N 0.049 120.477 120.300 0.213 0.000 2.706 358 Y HA 0.213 4.764 4.550 0.002 0.000 0.255 358 Y C 0.083 176.186 175.900 0.338 0.000 1.163 358 Y CA -0.449 57.850 58.100 0.333 0.000 1.174 358 Y CB 1.063 39.630 38.460 0.178 0.000 1.200 358 Y HN 0.236 nan 8.280 nan 0.000 0.544 359 D N 0.681 121.176 120.400 0.157 0.000 2.575 359 D HA 0.136 4.778 4.640 0.002 0.000 0.250 359 D C 0.641 176.627 176.300 -0.523 0.000 1.279 359 D CA -0.208 53.732 54.000 -0.099 0.000 0.925 359 D CB 1.593 42.347 40.800 -0.076 0.000 1.261 359 D HN 0.199 nan 8.370 nan 0.000 0.567 360 L N 3.137 123.730 121.223 -1.051 0.000 2.043 360 L HA -0.148 4.193 4.340 0.002 0.000 0.212 360 L C 1.914 178.435 176.870 -0.582 0.000 1.075 360 L CA 1.533 55.651 54.840 -1.204 0.000 0.752 360 L CB 0.041 41.296 42.059 -1.341 0.000 0.891 360 L HN 0.601 nan 8.230 nan 0.000 0.432 361 E N -0.357 119.590 120.200 -0.421 0.000 2.267 361 E HA -0.237 4.114 4.350 0.002 0.000 0.197 361 E C 1.600 178.021 176.600 -0.298 0.000 0.998 361 E CA 0.744 56.965 56.400 -0.299 0.000 0.830 361 E CB 0.114 29.663 29.700 -0.252 0.000 0.751 361 E HN 0.382 nan 8.360 nan 0.000 0.491 362 L N 0.673 121.707 121.223 -0.314 0.000 2.611 362 L HA 0.241 4.582 4.340 0.002 0.000 0.229 362 L C 0.130 176.909 176.870 -0.152 0.000 1.137 362 L CA 0.369 55.068 54.840 -0.235 0.000 0.901 362 L CB 0.305 42.240 42.059 -0.207 0.000 1.098 362 L HN 0.073 nan 8.230 nan 0.000 0.456 363 I N -0.378 120.080 120.570 -0.187 0.000 2.312 363 I HA 0.166 4.337 4.170 0.002 0.000 0.290 363 I C 0.040 176.103 176.117 -0.090 0.000 1.008 363 I CA -0.062 61.160 61.300 -0.131 0.000 1.226 363 I CB 1.100 38.997 38.000 -0.171 0.000 1.371 363 I HN -0.063 nan 8.210 nan 0.000 0.468 364 T N 4.662 119.188 114.554 -0.045 0.000 2.744 364 T HA 0.242 4.593 4.350 0.002 0.000 0.291 364 T C -0.056 174.635 174.700 -0.015 0.000 0.957 364 T CA -0.330 61.758 62.100 -0.021 0.000 1.002 364 T CB 0.961 69.827 68.868 -0.003 0.000 0.919 364 T HN 0.571 nan 8.240 nan 0.000 0.468 365 S N 1.723 117.416 115.700 -0.012 0.000 2.502 365 S HA 0.342 4.813 4.470 0.002 0.000 0.304 365 S C 0.608 175.204 174.600 -0.007 0.000 1.097 365 S CA -0.645 57.543 58.200 -0.020 0.000 1.045 365 S CB 0.054 63.237 63.200 -0.028 0.000 1.019 365 S HN 0.970 nan 8.310 nan 0.000 0.481 366 c N 3.557 122.142 118.600 -0.026 0.000 4.165 366 c HA -0.164 4.407 4.570 0.002 0.000 0.299 366 c C 1.337 175.468 174.090 0.067 0.000 1.445 366 c CA 0.626 56.950 56.329 -0.007 0.000 2.029 366 c CB -3.383 39.097 42.510 -0.050 0.000 1.288 366 c HN 1.363 nan 8.230 nan 0.000 0.752 367 S N -3.074 112.662 115.700 0.060 0.000 2.691 367 S HA -0.202 4.269 4.470 0.002 0.000 0.262 367 S C 0.420 175.074 174.600 0.091 0.000 1.284 367 S CA 1.465 59.712 58.200 0.078 0.000 1.372 367 S CB -1.083 62.185 63.200 0.113 0.000 1.693 367 S HN 1.059 nan 8.310 nan 0.000 0.647 368 S N 2.118 117.880 115.700 0.104 0.000 2.759 368 S HA 0.810 5.281 4.470 0.002 0.000 0.310 368 S C -0.292 174.343 174.600 0.058 0.000 1.123 368 S CA -0.630 57.649 58.200 0.131 0.000 0.959 368 S CB 1.558 64.903 63.200 0.242 0.000 1.172 368 S HN 0.653 nan 8.310 nan 0.000 0.539 369 N N -1.136 117.595 118.700 0.051 0.000 2.591 369 N HA 0.393 5.134 4.740 0.002 0.000 0.263 369 N C -1.859 173.619 175.510 -0.054 0.000 1.308 369 N CA -0.564 52.474 53.050 -0.020 0.000 0.837 369 N CB 1.131 39.596 38.487 -0.036 0.000 1.548 369 N HN 0.343 nan 8.380 nan 0.000 0.493 370 V N 0.436 120.281 119.914 -0.113 0.000 2.567 370 V HA 0.551 4.672 4.120 0.002 0.000 0.289 370 V C 0.367 176.344 176.094 -0.195 0.000 1.049 370 V CA -0.141 62.066 62.300 -0.155 0.000 0.969 370 V CB 1.104 32.843 31.823 -0.139 0.000 0.995 370 V HN 0.868 nan 8.190 nan 0.000 0.471 371 S N 2.545 118.042 115.700 -0.338 0.000 2.794 371 S HA 0.866 5.337 4.470 0.002 0.000 0.299 371 S C -1.334 173.145 174.600 -0.202 0.000 1.179 371 S CA -0.404 57.628 58.200 -0.281 0.000 0.838 371 S CB 2.047 65.048 63.200 -0.332 0.000 1.206 371 S HN 0.682 nan 8.310 nan 0.000 0.523 372 V N 0.240 120.153 119.914 -0.001 0.000 3.147 372 V HA 0.985 5.106 4.120 0.002 0.000 0.306 372 V C -0.887 175.230 176.094 0.038 0.000 1.209 372 V CA 0.325 62.596 62.300 -0.048 0.000 1.023 372 V CB 1.602 33.252 31.823 -0.287 0.000 1.059 372 V HN 1.455 nan 8.190 nan 0.000 0.435 373 A N 3.992 126.713 122.820 -0.165 0.000 2.557 373 A HA 0.871 5.192 4.320 0.002 0.000 0.292 373 A C -1.991 175.338 177.584 -0.426 0.000 1.139 373 A CA -0.740 51.070 52.037 -0.378 0.000 0.665 373 A CB 1.382 19.938 19.000 -0.741 0.000 1.285 373 A HN 0.885 nan 8.150 nan 0.000 0.433 374 L N 1.003 121.879 121.223 -0.579 0.000 2.309 374 L HA 0.618 4.959 4.340 0.002 0.000 0.282 374 L C 1.014 177.626 176.870 -0.429 0.000 1.036 374 L CA -0.633 53.888 54.840 -0.532 0.000 0.806 374 L CB 1.602 43.255 42.059 -0.677 0.000 1.220 374 L HN 0.943 nan 8.230 nan 0.000 0.429 375 G N 1.649 110.343 108.800 -0.176 0.000 2.588 375 G HA2 0.319 4.280 3.960 0.002 0.000 0.281 375 G HA3 0.319 4.280 3.960 0.002 0.000 0.281 375 G C -1.638 173.329 174.900 0.111 0.000 1.236 375 G CA -0.875 44.200 45.100 -0.042 0.000 0.969 375 G HN 0.477 nan 8.290 nan 0.000 0.504 376 P HA -0.193 nan 4.420 nan 0.000 0.216 376 P C 1.494 178.833 177.300 0.065 0.000 1.153 376 P CA 1.538 64.685 63.100 0.078 0.000 0.858 376 P CB 0.104 31.827 31.700 0.037 0.000 0.789 377 Q N -0.154 119.674 119.800 0.046 0.000 2.436 377 Q HA 0.001 4.342 4.340 0.002 0.000 0.209 377 Q C 1.564 177.589 176.000 0.042 0.000 0.965 377 Q CA 1.811 57.634 55.803 0.033 0.000 0.910 377 Q CB -1.371 27.379 28.738 0.020 0.000 0.980 377 Q HN 0.369 nan 8.270 nan 0.000 0.491 378 G N 1.407 110.246 108.800 0.066 0.000 2.176 378 G HA2 -0.310 3.651 3.960 0.002 0.000 0.232 378 G HA3 -0.310 3.651 3.960 0.002 0.000 0.232 378 G C 0.167 175.061 174.900 -0.011 0.000 0.986 378 G CA 0.096 45.229 45.100 0.056 0.000 0.643 378 G HN 0.684 nan 8.290 nan 0.000 0.522 379 R N 0.183 120.669 120.500 -0.023 0.000 2.577 379 R HA 0.711 5.052 4.340 0.002 0.000 0.269 379 R C 0.280 176.519 176.300 -0.102 0.000 1.084 379 R CA -0.720 55.354 56.100 -0.042 0.000 1.163 379 R CB 0.786 31.074 30.300 -0.020 0.000 1.100 379 R HN 0.236 nan 8.270 nan 0.000 0.547 380 R N 1.079 121.509 120.500 -0.116 0.000 2.491 380 R HA 0.216 4.557 4.340 0.002 0.000 0.283 380 R C -0.203 175.922 176.300 -0.292 0.000 1.072 380 R CA -0.108 55.849 56.100 -0.238 0.000 1.048 380 R CB 0.687 30.846 30.300 -0.234 0.000 0.983 380 R HN 0.510 nan 8.270 nan 0.000 0.450 381 R N 2.897 123.155 120.500 -0.403 0.000 2.514 381 R HA 0.220 4.561 4.340 0.002 0.000 0.296 381 R C -1.259 174.848 176.300 -0.322 0.000 1.012 381 R CA -0.784 55.148 56.100 -0.280 0.000 0.897 381 R CB 1.514 31.730 30.300 -0.140 0.000 1.184 381 R HN 0.492 nan 8.270 nan 0.000 0.440 382 Y N 2.813 123.161 120.300 0.080 0.000 2.299 382 Y HA 0.322 4.873 4.550 0.002 0.000 0.326 382 Y C 0.222 176.224 175.900 0.170 0.000 1.164 382 Y CA -0.270 57.880 58.100 0.084 0.000 1.234 382 Y CB 0.847 39.305 38.460 -0.003 0.000 1.219 382 Y HN 0.487 nan 8.280 nan 0.000 0.497 383 Y N 0.321 120.704 120.300 0.138 0.000 2.625 383 Y HA 0.680 5.231 4.550 0.002 0.000 0.338 383 Y C -2.099 173.884 175.900 0.139 0.000 1.123 383 Y CA -1.845 56.321 58.100 0.110 0.000 1.046 383 Y CB 0.813 39.303 38.460 0.049 0.000 1.299 383 Y HN 0.468 nan 8.280 nan 0.000 0.464 384 L N 2.190 123.504 121.223 0.151 0.000 2.312 384 L HA 0.757 5.098 4.340 0.002 0.000 0.281 384 L C 0.022 177.098 176.870 0.344 0.000 1.070 384 L CA 0.536 55.459 54.840 0.138 0.000 0.805 384 L CB 1.439 43.603 42.059 0.175 0.000 1.174 384 L HN 1.038 nan 8.230 nan 0.000 0.434 385 T N 4.110 118.829 114.554 0.275 0.000 2.654 385 T HA 0.885 5.236 4.350 0.002 0.000 0.289 385 T C -1.345 173.463 174.700 0.181 0.000 1.062 385 T CA -0.402 61.917 62.100 0.366 0.000 1.041 385 T CB 1.066 70.133 68.868 0.332 0.000 1.417 385 T HN 0.902 nan 8.240 nan 0.000 0.510 386 R N 0.271 120.785 120.500 0.024 0.000 2.829 386 R HA 0.366 4.707 4.340 0.002 0.000 0.283 386 R C -1.693 174.407 176.300 -0.333 0.000 1.013 386 R CA -0.976 55.044 56.100 -0.133 0.000 0.848 386 R CB 0.062 30.257 30.300 -0.175 0.000 1.291 386 R HN 0.564 nan 8.270 nan 0.000 0.496 387 D N 1.900 122.121 120.400 -0.298 0.000 2.450 387 D HA 0.051 4.692 4.640 0.002 0.000 0.247 387 D C -1.390 174.529 176.300 -0.636 0.000 1.162 387 D CA -1.143 52.628 54.000 -0.382 0.000 0.879 387 D CB 1.223 41.886 40.800 -0.228 0.000 1.163 387 D HN 0.374 nan 8.370 nan 0.000 0.472 388 P HA 0.020 nan 4.420 nan 0.000 0.255 388 P C 1.101 178.063 177.300 -0.564 0.000 1.248 388 P CA 0.041 62.454 63.100 -1.145 0.000 0.807 388 P CB 0.438 31.214 31.700 -1.539 0.000 1.150 389 T N 0.187 114.523 114.554 -0.364 0.000 2.595 389 T HA -0.137 4.214 4.350 0.002 0.000 0.264 389 T C 1.821 176.428 174.700 -0.154 0.000 1.058 389 T CA 2.491 64.469 62.100 -0.203 0.000 1.166 389 T CB -1.259 67.532 68.868 -0.129 0.000 0.863 389 T HN 0.169 nan 8.240 nan 0.000 0.415 390 T N 2.398 116.874 114.554 -0.130 0.000 2.746 390 T HA -0.060 4.291 4.350 0.002 0.000 0.267 390 T C -0.560 174.066 174.700 -0.124 0.000 1.039 390 T CA 1.306 63.345 62.100 -0.103 0.000 1.142 390 T CB -1.226 67.618 68.868 -0.040 0.000 0.866 390 T HN 0.338 nan 8.240 nan 0.000 0.444 391 P HA 0.014 nan 4.420 nan 0.000 0.215 391 P C 1.382 178.704 177.300 0.038 0.000 1.153 391 P CA 0.971 64.049 63.100 -0.036 0.000 0.853 391 P CB -0.148 31.498 31.700 -0.091 0.000 0.788 392 I N -1.169 119.378 120.570 -0.039 0.000 2.353 392 I HA -0.160 4.011 4.170 0.002 0.000 0.248 392 I C 2.296 178.419 176.117 0.011 0.000 1.119 392 I CA 1.025 62.329 61.300 0.006 0.000 1.417 392 I CB -0.785 37.172 38.000 -0.070 0.000 1.078 392 I HN -0.105 nan 8.210 nan 0.000 0.421 393 A N 1.327 124.132 122.820 -0.024 0.000 1.908 393 A HA -0.215 4.106 4.320 0.002 0.000 0.218 393 A C 2.397 180.009 177.584 0.047 0.000 1.181 393 A CA 1.624 53.658 52.037 -0.006 0.000 0.627 393 A CB -0.551 18.410 19.000 -0.065 0.000 0.818 393 A HN 0.343 nan 8.150 nan 0.000 0.445 394 R N -0.746 119.764 120.500 0.017 0.000 2.148 394 R HA 0.067 4.408 4.340 0.002 0.000 0.223 394 R C 2.394 178.839 176.300 0.242 0.000 1.088 394 R CA 0.898 57.042 56.100 0.073 0.000 0.985 394 R CB -0.356 29.936 30.300 -0.013 0.000 0.880 394 R HN 0.509 nan 8.270 nan 0.000 0.451 395 A N 1.353 124.328 122.820 0.258 0.000 1.930 395 A HA -0.053 4.268 4.320 0.002 0.000 0.217 395 A C 2.342 180.096 177.584 0.284 0.000 1.175 395 A CA 1.527 53.817 52.037 0.421 0.000 0.627 395 A CB -0.468 18.809 19.000 0.461 0.000 0.815 395 A HN 0.358 nan 8.150 nan 0.000 0.443 396 A N -1.175 121.722 122.820 0.129 0.000 1.873 396 A HA -0.159 4.163 4.320 0.002 0.000 0.215 396 A C 2.114 179.786 177.584 0.146 0.000 1.186 396 A CA 1.359 53.432 52.037 0.060 0.000 0.616 396 A CB -0.903 18.118 19.000 0.034 0.000 0.823 396 A HN 0.827 nan 8.150 nan 0.000 0.442 397 W N 1.285 122.598 121.300 0.022 0.000 2.355 397 W HA -0.150 4.511 4.660 0.001 0.000 0.309 397 W C 1.374 177.914 176.519 0.034 0.000 1.206 397 W CA 1.932 59.288 57.345 0.019 0.000 1.284 397 W CB -0.329 29.132 29.460 0.001 0.000 1.145 397 W HN 0.543 nan 8.180 nan 0.000 0.502 398 E N -0.484 119.953 120.200 0.395 0.000 2.516 398 E HA -0.100 4.252 4.350 0.002 0.000 0.199 398 E C 1.827 178.516 176.600 0.148 0.000 1.069 398 E CA 0.985 57.582 56.400 0.329 0.000 0.876 398 E CB 0.012 30.004 29.700 0.487 0.000 0.843 398 E HN 0.135 nan 8.360 nan 0.000 0.530 399 T N 0.023 114.616 114.554 0.065 0.000 2.852 399 T HA -0.051 4.300 4.350 0.002 0.000 0.256 399 T C 2.002 176.530 174.700 -0.286 0.000 1.038 399 T CA 0.561 62.639 62.100 -0.036 0.000 1.141 399 T CB 0.149 69.037 68.868 0.033 0.000 0.869 399 T HN -0.019 nan 8.240 nan 0.000 0.439 400 V N 1.261 121.022 119.914 -0.256 0.000 2.251 400 V HA 0.065 4.186 4.120 0.002 0.000 0.237 400 V C 1.065 176.929 176.094 -0.383 0.000 1.040 400 V CA 0.938 63.053 62.300 -0.308 0.000 1.005 400 V CB -0.254 31.384 31.823 -0.307 0.000 0.645 400 V HN 0.229 nan 8.190 nan 0.000 0.458 401 R N 1.399 121.681 120.500 -0.364 0.000 2.429 401 R HA 0.183 4.524 4.340 0.002 0.000 0.302 401 R C -0.394 175.883 176.300 -0.037 0.000 1.268 401 R CA -0.113 55.871 56.100 -0.194 0.000 1.090 401 R CB -0.978 29.208 30.300 -0.191 0.000 1.102 401 R HN 0.548 nan 8.270 nan 0.000 0.522 402 H N 1.296 120.421 119.070 0.093 0.000 2.975 402 H HA 0.024 4.581 4.556 0.002 0.000 0.303 402 H C 0.606 176.015 175.328 0.135 0.000 1.023 402 H CA 0.317 56.449 56.048 0.140 0.000 1.473 402 H CB 0.563 30.393 29.762 0.114 0.000 1.498 402 H HN 0.470 nan 8.280 nan 0.000 0.549 403 S N 3.298 119.166 115.700 0.279 0.000 2.651 403 S HA 0.300 4.772 4.470 0.002 0.000 0.291 403 S C -1.618 173.062 174.600 0.134 0.000 1.141 403 S CA -1.451 56.860 58.200 0.185 0.000 1.027 403 S CB 2.055 65.365 63.200 0.183 0.000 1.043 403 S HN 0.239 nan 8.310 nan 0.000 0.530 404 P HA 0.020 nan 4.420 nan 0.000 0.215 404 P C -0.336 176.977 177.300 0.022 0.000 1.153 404 P CA 0.786 63.886 63.100 0.000 0.000 0.853 404 P CB 0.062 31.706 31.700 -0.094 0.000 0.788 405 V N 0.849 120.783 119.914 0.033 0.000 2.495 405 V HA 0.250 4.371 4.120 0.002 0.000 0.298 405 V C -0.207 175.917 176.094 0.050 0.000 1.031 405 V CA -0.867 61.447 62.300 0.023 0.000 0.871 405 V CB 1.667 33.497 31.823 0.012 0.000 0.988 405 V HN -0.003 nan 8.190 nan 0.000 0.432 406 N N 2.418 121.116 118.700 -0.003 0.000 2.438 406 N HA 0.198 4.940 4.740 0.002 0.000 0.282 406 N C 1.025 176.458 175.510 -0.128 0.000 1.037 406 N CA -0.029 52.973 53.050 -0.080 0.000 0.942 406 N CB 2.115 40.347 38.487 -0.426 0.000 1.136 406 N HN 0.770 nan 8.380 nan 0.000 0.481 407 S N 1.848 117.551 115.700 0.005 0.000 2.425 407 S HA -0.052 4.419 4.470 0.002 0.000 0.225 407 S C 1.737 176.341 174.600 0.006 0.000 1.024 407 S CA -0.145 58.082 58.200 0.046 0.000 0.951 407 S CB -0.326 62.937 63.200 0.105 0.000 0.796 407 S HN 0.824 nan 8.310 nan 0.000 0.498 408 W N 1.634 122.908 121.300 -0.043 0.000 2.363 408 W HA 0.051 4.712 4.660 0.002 0.000 0.296 408 W C 1.723 178.086 176.519 -0.260 0.000 1.212 408 W CA 0.141 57.389 57.345 -0.162 0.000 1.260 408 W CB -1.077 28.102 29.460 -0.469 0.000 1.131 408 W HN 0.283 nan 8.180 nan 0.000 0.530 409 L N 1.709 122.207 121.223 -1.210 0.000 2.046 409 L HA -0.079 4.262 4.340 0.002 0.000 0.208 409 L C 2.804 179.196 176.870 -0.795 0.000 1.077 409 L CA 2.151 56.308 54.840 -1.138 0.000 0.747 409 L CB -1.171 40.122 42.059 -1.277 0.000 0.896 409 L HN 0.122 nan 8.230 nan 0.000 0.432 410 G N -0.395 108.041 108.800 -0.607 0.000 2.421 410 G HA2 -0.302 3.659 3.960 0.002 0.000 0.216 410 G HA3 -0.302 3.659 3.960 0.002 0.000 0.216 410 G C 1.330 176.138 174.900 -0.153 0.000 1.171 410 G CA 0.724 45.595 45.100 -0.383 0.000 0.775 410 G HN 0.356 nan 8.290 nan 0.000 0.543 411 N N 0.647 119.361 118.700 0.024 0.000 2.120 411 N HA -0.054 4.688 4.740 0.002 0.000 0.188 411 N C 2.268 177.836 175.510 0.097 0.000 1.024 411 N CA 0.825 54.021 53.050 0.244 0.000 0.852 411 N CB -0.204 38.525 38.487 0.402 0.000 1.003 411 N HN 0.334 nan 8.380 nan 0.000 0.424 412 I N 1.130 121.691 120.570 -0.016 0.000 2.208 412 I HA -0.252 3.919 4.170 0.002 0.000 0.245 412 I C 2.069 178.119 176.117 -0.112 0.000 1.097 412 I CA 1.042 62.309 61.300 -0.056 0.000 1.363 412 I CB -0.150 37.853 38.000 0.005 0.000 1.051 412 I HN 0.061 nan 8.210 nan 0.000 0.413 413 I N -0.066 120.395 120.570 -0.180 0.000 2.193 413 I HA -0.299 3.872 4.170 0.002 0.000 0.240 413 I C 2.641 178.731 176.117 -0.045 0.000 1.084 413 I CA 1.323 62.536 61.300 -0.145 0.000 1.365 413 I CB -0.400 37.421 38.000 -0.298 0.000 1.064 413 I HN 0.295 nan 8.210 nan 0.000 0.410 414 Q N 0.325 120.048 119.800 -0.129 0.000 2.167 414 Q HA -0.160 4.181 4.340 0.002 0.000 0.202 414 Q C 0.708 176.464 176.000 -0.406 0.000 0.970 414 Q CA 1.483 57.144 55.803 -0.237 0.000 0.855 414 Q CB 0.214 28.715 28.738 -0.395 0.000 0.911 414 Q HN 0.576 nan 8.270 nan 0.000 0.438 415 Y N -1.415 118.828 120.300 -0.095 0.000 2.734 415 Y HA 0.396 4.947 4.550 0.002 0.000 0.278 415 Y C 1.277 176.895 175.900 -0.471 0.000 1.108 415 Y CA -0.150 57.800 58.100 -0.249 0.000 1.211 415 Y CB 0.317 38.596 38.460 -0.301 0.000 1.182 415 Y HN 0.150 nan 8.280 nan 0.000 0.547 416 A N 1.723 124.317 122.820 -0.377 0.000 1.927 416 A HA -0.193 4.129 4.320 0.002 0.000 0.220 416 A C -0.225 177.091 177.584 -0.446 0.000 1.185 416 A CA 1.800 53.605 52.037 -0.388 0.000 0.639 416 A CB -1.486 17.311 19.000 -0.339 0.000 0.820 416 A HN 0.281 nan 8.150 nan 0.000 0.451 417 P HA -0.004 nan 4.420 nan 0.000 0.233 417 P C 0.609 177.631 177.300 -0.464 0.000 1.167 417 P CA 1.260 64.082 63.100 -0.462 0.000 0.770 417 P CB -0.815 30.616 31.700 -0.449 0.000 0.837 418 T N -2.356 111.942 114.554 -0.427 0.000 2.900 418 T HA 0.129 4.480 4.350 0.002 0.000 0.307 418 T C 1.292 175.609 174.700 -0.639 0.000 1.065 418 T CA -0.556 61.272 62.100 -0.454 0.000 1.105 418 T CB 0.726 69.209 68.868 -0.640 0.000 0.979 418 T HN -0.106 nan 8.240 nan 0.000 0.544 419 I N 1.913 122.035 120.570 -0.747 0.000 2.676 419 I HA 0.001 4.172 4.170 0.002 0.000 0.259 419 I C 1.875 177.689 176.117 -0.504 0.000 1.194 419 I CA 0.692 61.499 61.300 -0.821 0.000 1.473 419 I CB -0.126 37.133 38.000 -1.235 0.000 1.096 419 I HN 0.866 nan 8.210 nan 0.000 0.443 420 W N -0.599 120.471 121.300 -0.382 0.000 2.576 420 W HA 0.056 4.717 4.660 0.002 0.000 0.270 420 W C 1.691 178.055 176.519 -0.258 0.000 1.255 420 W CA 0.323 57.480 57.345 -0.314 0.000 1.314 420 W CB -1.340 27.966 29.460 -0.256 0.000 1.101 420 W HN -0.084 nan 8.180 nan 0.000 0.595 421 V N 2.446 121.891 119.914 -0.782 0.000 2.407 421 V HA -0.170 3.951 4.120 0.002 0.000 0.245 421 V C 2.843 178.753 176.094 -0.307 0.000 1.041 421 V CA 1.687 63.650 62.300 -0.561 0.000 1.040 421 V CB -0.488 30.899 31.823 -0.726 0.000 0.671 421 V HN 0.037 nan 8.190 nan 0.000 0.455 422 R N -0.491 119.759 120.500 -0.418 0.000 2.073 422 R HA -0.018 4.323 4.340 0.002 0.000 0.229 422 R C 2.157 178.230 176.300 -0.378 0.000 1.120 422 R CA 1.429 57.290 56.100 -0.399 0.000 0.967 422 R CB -0.305 29.621 30.300 -0.623 0.000 0.862 422 R HN 0.427 nan 8.270 nan 0.000 0.436 423 M N -0.184 119.092 119.600 -0.540 0.000 2.435 423 M HA -0.016 4.465 4.480 0.002 0.000 0.265 423 M C 1.854 178.099 176.300 -0.092 0.000 1.104 423 M CA 0.830 55.910 55.300 -0.366 0.000 1.140 423 M CB 0.464 32.776 32.600 -0.479 0.000 1.372 423 M HN -0.056 nan 8.290 nan 0.000 0.456 424 V N -0.077 119.636 119.914 -0.336 0.000 2.695 424 V HA -0.015 4.106 4.120 0.002 0.000 0.230 424 V C 2.119 178.003 176.094 -0.349 0.000 1.110 424 V CA 0.482 62.328 62.300 -0.757 0.000 1.159 424 V CB -0.596 30.718 31.823 -0.849 0.000 0.875 424 V HN 0.312 nan 8.190 nan 0.000 0.502 425 L N -0.503 120.667 121.223 -0.088 0.000 2.013 425 L HA -0.277 4.064 4.340 0.002 0.000 0.212 425 L C 2.597 179.715 176.870 0.413 0.000 1.073 425 L CA 2.058 57.031 54.840 0.221 0.000 0.753 425 L CB -0.527 41.720 42.059 0.313 0.000 0.890 425 L HN 0.368 nan 8.230 nan 0.000 0.432 426 M N -1.045 118.768 119.600 0.356 0.000 2.099 426 M HA -0.165 4.317 4.480 0.002 0.000 0.262 426 M C 2.321 179.112 176.300 0.820 0.000 1.067 426 M CA 1.938 57.587 55.300 0.581 0.000 1.124 426 M CB -0.510 32.303 32.600 0.354 0.000 1.353 426 M HN 0.247 nan 8.290 nan 0.000 0.410 427 T N -0.981 114.012 114.554 0.733 0.000 2.684 427 T HA -0.224 4.127 4.350 0.002 0.000 0.267 427 T C 1.735 176.736 174.700 0.501 0.000 1.036 427 T CA 1.476 64.017 62.100 0.734 0.000 1.148 427 T CB -0.608 68.710 68.868 0.750 0.000 0.863 427 T HN 0.465 nan 8.240 nan 0.000 0.436 428 H N 0.126 119.355 119.070 0.264 0.000 2.270 428 H HA -0.075 4.482 4.556 0.002 0.000 0.299 428 H C 2.072 177.302 175.328 -0.163 0.000 1.077 428 H CA 1.704 57.775 56.048 0.039 0.000 1.294 428 H CB -0.390 29.235 29.762 -0.228 0.000 1.371 428 H HN 0.347 nan 8.280 nan 0.000 0.491 429 F N -0.114 119.826 119.950 -0.016 0.000 2.234 429 F HA -0.108 4.420 4.527 0.002 0.000 0.299 429 F C 2.463 178.136 175.800 -0.211 0.000 1.087 429 F CA 0.687 58.502 58.000 -0.308 0.000 1.340 429 F CB -0.645 38.036 39.000 -0.532 0.000 1.031 429 F HN 0.111 nan 8.300 nan 0.000 0.500 430 F N -0.918 119.164 119.950 0.220 0.000 2.325 430 F HA -0.125 4.404 4.527 0.002 0.000 0.299 430 F C 2.674 178.511 175.800 0.062 0.000 1.090 430 F CA 1.283 59.398 58.000 0.191 0.000 1.392 430 F CB -0.824 38.353 39.000 0.295 0.000 1.053 430 F HN -0.121 nan 8.300 nan 0.000 0.521 431 S N 0.076 115.871 115.700 0.158 0.000 2.371 431 S HA -0.095 4.377 4.470 0.002 0.000 0.224 431 S C 2.157 176.729 174.600 -0.047 0.000 1.029 431 S CA 0.983 59.203 58.200 0.034 0.000 0.978 431 S CB -0.338 62.866 63.200 0.006 0.000 0.833 431 S HN 0.315 nan 8.310 nan 0.000 0.466 432 I N 1.090 121.562 120.570 -0.162 0.000 2.439 432 I HA -0.110 4.061 4.170 0.002 0.000 0.251 432 I C 1.976 178.063 176.117 -0.051 0.000 1.139 432 I CA 0.831 62.024 61.300 -0.178 0.000 1.438 432 I CB -0.188 37.590 38.000 -0.369 0.000 1.085 432 I HN 0.324 nan 8.210 nan 0.000 0.427 433 L N -0.353 120.863 121.223 -0.011 0.000 2.109 433 L HA -0.176 4.165 4.340 0.002 0.000 0.207 433 L C 2.550 179.451 176.870 0.051 0.000 1.086 433 L CA 1.240 56.101 54.840 0.034 0.000 0.760 433 L CB -0.302 41.777 42.059 0.034 0.000 0.910 433 L HN 0.241 nan 8.230 nan 0.000 0.437 434 M N -0.942 118.697 119.600 0.065 0.000 2.319 434 M HA -0.105 4.376 4.480 0.002 0.000 0.265 434 M C 2.435 178.751 176.300 0.026 0.000 1.068 434 M CA 1.343 56.678 55.300 0.057 0.000 1.118 434 M CB -0.345 32.294 32.600 0.065 0.000 1.395 434 M HN 0.291 nan 8.290 nan 0.000 0.435 435 A N 0.296 123.121 122.820 0.009 0.000 1.898 435 A HA -0.183 4.138 4.320 0.002 0.000 0.216 435 A C 1.944 179.532 177.584 0.007 0.000 1.181 435 A CA 1.429 53.465 52.037 -0.002 0.000 0.620 435 A CB -0.489 18.498 19.000 -0.021 0.000 0.819 435 A HN 0.560 nan 8.150 nan 0.000 0.442 436 Q N -1.691 118.117 119.800 0.013 0.000 2.398 436 Q HA 0.037 4.378 4.340 0.002 0.000 0.204 436 Q C -0.418 175.594 176.000 0.019 0.000 0.932 436 Q CA 0.338 56.152 55.803 0.017 0.000 0.916 436 Q CB 0.417 29.168 28.738 0.022 0.000 1.024 436 Q HN 0.550 nan 8.270 nan 0.000 0.504 437 D N 0.804 121.220 120.400 0.026 0.000 2.737 437 D HA -0.106 4.535 4.640 0.002 0.000 0.243 437 D C -0.592 175.728 176.300 0.033 0.000 1.109 437 D CA 1.323 55.341 54.000 0.031 0.000 0.702 437 D CB -1.021 39.792 40.800 0.022 0.000 1.068 437 D HN 0.468 nan 8.370 nan 0.000 0.432 438 T N -2.444 112.135 114.554 0.042 0.000 3.571 438 T HA 0.339 4.690 4.350 0.002 0.000 0.292 438 T C 1.993 176.732 174.700 0.064 0.000 0.994 438 T CA -0.456 61.671 62.100 0.044 0.000 0.996 438 T CB -0.121 68.766 68.868 0.032 0.000 1.185 438 T HN 0.161 nan 8.240 nan 0.000 0.482 439 L N 1.687 122.956 121.223 0.078 0.000 1.989 439 L HA -0.071 4.270 4.340 0.002 0.000 0.211 439 L C 2.610 179.539 176.870 0.099 0.000 1.071 439 L CA 2.168 57.070 54.840 0.105 0.000 0.749 439 L CB -0.344 41.798 42.059 0.139 0.000 0.890 439 L HN 0.501 nan 8.230 nan 0.000 0.431 440 D N -0.592 119.857 120.400 0.081 0.000 2.363 440 D HA -0.160 4.481 4.640 0.002 0.000 0.220 440 D C 1.082 177.418 176.300 0.060 0.000 0.994 440 D CA -0.063 53.980 54.000 0.071 0.000 0.890 440 D CB -0.311 40.524 40.800 0.058 0.000 0.906 440 D HN 0.360 nan 8.370 nan 0.000 0.530 441 Q N 0.822 120.657 119.800 0.058 0.000 2.274 441 Q HA -0.002 4.339 4.340 0.002 0.000 0.280 441 Q C -0.322 175.711 176.000 0.055 0.000 1.047 441 Q CA -0.283 55.550 55.803 0.049 0.000 0.907 441 Q CB 0.383 29.148 28.738 0.045 0.000 1.171 441 Q HN 0.048 nan 8.270 nan 0.000 0.381 442 N N 4.186 122.913 118.700 0.045 0.000 2.518 442 N HA 0.230 4.971 4.740 0.002 0.000 0.266 442 N C -0.693 174.843 175.510 0.044 0.000 1.196 442 N CA 0.271 53.349 53.050 0.046 0.000 0.947 442 N CB 0.663 39.172 38.487 0.036 0.000 1.098 442 N HN 0.521 nan 8.380 nan 0.000 0.450 443 L N 1.487 122.737 121.223 0.046 0.000 2.333 443 L HA 0.432 4.773 4.340 0.002 0.000 0.263 443 L C 0.067 176.960 176.870 0.039 0.000 1.014 443 L CA -0.827 54.033 54.840 0.032 0.000 0.820 443 L CB 1.904 43.960 42.059 -0.005 0.000 1.352 443 L HN 0.390 nan 8.230 nan 0.000 0.421 444 N N 0.606 119.310 118.700 0.006 0.000 2.362 444 N HA 0.709 5.451 4.740 0.002 0.000 0.298 444 N C -1.368 174.133 175.510 -0.016 0.000 1.048 444 N CA -0.507 52.511 53.050 -0.053 0.000 0.858 444 N CB 1.895 40.337 38.487 -0.076 0.000 1.218 444 N HN 0.375 nan 8.380 nan 0.000 0.488 445 F N -0.826 119.045 119.950 -0.131 0.000 2.726 445 F HA 0.582 5.110 4.527 0.002 0.000 0.324 445 F C -1.280 174.462 175.800 -0.097 0.000 1.140 445 F CA -1.190 56.723 58.000 -0.145 0.000 0.964 445 F CB 1.096 39.967 39.000 -0.215 0.000 1.399 445 F HN 0.322 nan 8.300 nan 0.000 0.491 446 E N 1.147 121.447 120.200 0.168 0.000 2.248 446 E HA 0.653 5.004 4.350 0.002 0.000 0.267 446 E C -1.803 174.934 176.600 0.228 0.000 0.877 446 E CA -1.086 55.324 56.400 0.017 0.000 0.759 446 E CB 2.691 32.448 29.700 0.096 0.000 1.182 446 E HN 0.700 nan 8.360 nan 0.000 0.418 447 M N 2.644 122.292 119.600 0.080 0.000 2.324 447 M HA 0.331 4.812 4.480 0.002 0.000 0.288 447 M C -2.031 174.232 176.300 -0.061 0.000 1.097 447 M CA -0.593 54.819 55.300 0.186 0.000 0.928 447 M CB 1.962 34.749 32.600 0.312 0.000 1.648 447 M HN 0.585 nan 8.290 nan 0.000 0.460 448 Y N 2.180 122.498 120.300 0.031 0.000 2.359 448 Y HA 0.511 5.062 4.550 0.001 0.000 0.330 448 Y C 1.312 177.175 175.900 -0.062 0.000 1.143 448 Y CA 1.435 59.505 58.100 -0.051 0.000 1.318 448 Y CB 1.171 39.562 38.460 -0.115 0.000 1.234 448 Y HN 0.857 nan 8.280 nan 0.000 0.522 449 G N 0.908 109.507 108.800 -0.335 0.000 2.227 449 G HA2 -0.079 3.882 3.960 0.002 0.000 0.168 449 G HA3 -0.079 3.882 3.960 0.002 0.000 0.168 449 G C -0.195 174.525 174.900 -0.300 0.000 1.006 449 G CA -0.022 44.991 45.100 -0.146 0.000 0.684 449 G HN 0.722 nan 8.290 nan 0.000 0.489 450 S N -2.240 113.077 115.700 -0.638 0.000 2.656 450 S HA 0.642 5.113 4.470 0.002 0.000 0.265 450 S C -1.320 172.671 174.600 -1.014 0.000 1.132 450 S CA -0.178 57.541 58.200 -0.801 0.000 0.819 450 S CB 2.238 64.823 63.200 -1.024 0.000 1.119 450 S HN 1.050 nan 8.310 nan 0.000 0.476 451 V N 2.059 121.357 119.914 -1.026 0.000 2.577 451 V HA 0.575 4.696 4.120 0.002 0.000 0.303 451 V C -1.822 173.667 176.094 -1.008 0.000 1.042 451 V CA -0.471 61.332 62.300 -0.829 0.000 0.872 451 V CB 1.236 32.788 31.823 -0.452 0.000 0.998 451 V HN 0.817 nan 8.190 nan 0.000 0.423 452 Y N 1.668 121.497 120.300 -0.784 0.000 2.509 452 Y HA 0.666 5.217 4.550 0.003 0.000 0.341 452 Y C 0.528 176.092 175.900 -0.560 0.000 1.038 452 Y CA -0.796 56.887 58.100 -0.695 0.000 1.089 452 Y CB 2.193 40.166 38.460 -0.811 0.000 1.241 452 Y HN 0.526 nan 8.280 nan 0.000 0.468 453 S N 1.874 117.526 115.700 -0.080 0.000 2.449 453 S HA 0.785 5.256 4.470 0.002 0.000 0.310 453 S C -1.425 173.226 174.600 0.085 0.000 1.096 453 S CA -0.458 57.738 58.200 -0.007 0.000 1.095 453 S CB 0.674 63.866 63.200 -0.014 0.000 1.007 453 S HN 0.614 nan 8.310 nan 0.000 0.474 454 V N 3.643 123.641 119.914 0.140 0.000 3.147 454 V HA 0.755 4.876 4.120 0.002 0.000 0.306 454 V C -0.722 175.425 176.094 0.088 0.000 1.209 454 V CA -0.565 61.816 62.300 0.134 0.000 1.023 454 V CB 2.422 34.371 31.823 0.209 0.000 1.059 454 V HN 0.853 nan 8.190 nan 0.000 0.435 455 S N 4.456 120.200 115.700 0.073 0.000 2.442 455 S HA 0.567 5.039 4.470 0.002 0.000 0.297 455 S C -1.874 172.775 174.600 0.081 0.000 1.131 455 S CA -1.337 56.904 58.200 0.070 0.000 1.092 455 S CB 1.695 64.935 63.200 0.067 0.000 0.998 455 S HN 0.685 nan 8.310 nan 0.000 0.478 456 P HA -0.110 nan 4.420 nan 0.000 0.218 456 P C 1.040 178.482 177.300 0.238 0.000 1.146 456 P CA 0.716 63.876 63.100 0.101 0.000 0.820 456 P CB 0.119 31.811 31.700 -0.012 0.000 0.778 457 L N -0.986 120.356 121.223 0.198 0.000 2.549 457 L HA -0.093 4.249 4.340 0.002 0.000 0.229 457 L C 1.137 178.084 176.870 0.128 0.000 1.158 457 L CA 1.806 56.761 54.840 0.193 0.000 0.842 457 L CB -1.108 41.033 42.059 0.136 0.000 0.952 457 L HN -0.042 nan 8.230 nan 0.000 0.452 458 D N -1.970 118.498 120.400 0.113 0.000 2.398 458 D HA 0.105 4.746 4.640 0.002 0.000 0.210 458 D C 2.192 178.546 176.300 0.089 0.000 1.094 458 D CA 0.072 54.117 54.000 0.075 0.000 0.839 458 D CB 0.421 41.256 40.800 0.058 0.000 0.963 458 D HN 0.201 nan 8.370 nan 0.000 0.506 459 L N 1.691 122.999 121.223 0.142 0.000 2.042 459 L HA -0.126 4.215 4.340 0.002 0.000 0.210 459 L C -0.394 176.583 176.870 0.177 0.000 1.076 459 L CA 1.516 56.454 54.840 0.162 0.000 0.749 459 L CB -1.578 40.637 42.059 0.261 0.000 0.893 459 L HN 0.075 nan 8.230 nan 0.000 0.432 460 P HA -0.197 nan 4.420 nan 0.000 0.216 460 P C 1.311 178.729 177.300 0.198 0.000 1.150 460 P CA 2.043 65.236 63.100 0.155 0.000 0.837 460 P CB 0.049 31.642 31.700 -0.178 0.000 0.786 461 A N -0.157 122.703 122.820 0.067 0.000 1.897 461 A HA -0.084 4.237 4.320 0.002 0.000 0.215 461 A C 2.370 180.001 177.584 0.079 0.000 1.181 461 A CA 1.035 53.105 52.037 0.055 0.000 0.620 461 A CB -1.441 17.563 19.000 0.006 0.000 0.821 461 A HN 0.097 nan 8.150 nan 0.000 0.443 462 I N -0.172 120.443 120.570 0.074 0.000 2.226 462 I HA -0.256 3.915 4.170 0.002 0.000 0.245 462 I C 2.199 178.353 176.117 0.060 0.000 1.100 462 I CA 1.311 62.639 61.300 0.046 0.000 1.374 462 I CB -0.320 37.700 38.000 0.035 0.000 1.057 462 I HN 0.292 nan 8.210 nan 0.000 0.413 463 I N 0.424 121.072 120.570 0.129 0.000 2.394 463 I HA -0.258 3.913 4.170 0.002 0.000 0.251 463 I C 2.581 178.729 176.117 0.052 0.000 1.136 463 I CA 1.296 62.673 61.300 0.127 0.000 1.425 463 I CB -0.342 37.743 38.000 0.141 0.000 1.079 463 I HN 0.306 nan 8.210 nan 0.000 0.425 464 E N 1.272 121.544 120.200 0.119 0.000 2.107 464 E HA -0.265 4.086 4.350 0.002 0.000 0.191 464 E C 2.275 178.894 176.600 0.031 0.000 0.982 464 E CA 0.856 57.308 56.400 0.088 0.000 0.809 464 E CB 0.102 29.936 29.700 0.224 0.000 0.756 464 E HN 0.194 nan 8.360 nan 0.000 0.459 465 R N 0.618 121.130 120.500 0.020 0.000 2.115 465 R HA -0.014 4.327 4.340 0.002 0.000 0.226 465 R C 2.105 178.359 176.300 -0.075 0.000 1.100 465 R CA 1.047 57.136 56.100 -0.018 0.000 0.980 465 R CB -0.476 29.813 30.300 -0.019 0.000 0.875 465 R HN 0.328 nan 8.270 nan 0.000 0.445 466 L N -1.200 119.950 121.223 -0.122 0.000 2.202 466 L HA 0.051 4.392 4.340 0.002 0.000 0.205 466 L C 0.973 177.547 176.870 -0.493 0.000 1.083 466 L CA 1.245 55.898 54.840 -0.311 0.000 0.790 466 L CB 0.077 41.912 42.059 -0.372 0.000 0.942 466 L HN 0.371 nan 8.230 nan 0.000 0.452 467 H N -1.421 117.596 119.070 -0.088 0.000 3.170 467 H HA 0.418 4.975 4.556 0.002 0.000 0.264 467 H C 0.525 175.787 175.328 -0.110 0.000 1.113 467 H CA 0.313 56.301 56.048 -0.100 0.000 1.194 467 H CB 0.848 30.523 29.762 -0.144 0.000 1.553 467 H HN 0.335 nan 8.280 nan 0.000 0.538 468 G N 0.489 109.281 108.800 -0.014 0.000 2.746 468 G HA2 -0.243 3.718 3.960 0.002 0.000 0.685 468 G HA3 -0.243 3.718 3.960 0.002 0.000 0.685 468 G C 0.522 175.374 174.900 -0.079 0.000 1.350 468 G CA -0.266 44.823 45.100 -0.019 0.000 0.837 468 G HN 0.225 nan 8.290 nan 0.000 0.564 469 L N 0.081 121.314 121.223 0.016 0.000 2.265 469 L HA -0.064 4.277 4.340 0.002 0.000 0.215 469 L C 2.424 179.292 176.870 -0.004 0.000 1.117 469 L CA 1.632 56.529 54.840 0.095 0.000 0.782 469 L CB -0.300 41.865 42.059 0.176 0.000 0.914 469 L HN 0.634 nan 8.230 nan 0.000 0.441 470 D N 0.214 120.581 120.400 -0.054 0.000 2.263 470 D HA -0.132 4.509 4.640 0.002 0.000 0.208 470 D C 2.102 178.302 176.300 -0.165 0.000 0.971 470 D CA 1.165 55.124 54.000 -0.069 0.000 0.867 470 D CB 0.240 41.005 40.800 -0.058 0.000 0.929 470 D HN 0.328 nan 8.370 nan 0.000 0.492 471 A N 0.065 122.685 122.820 -0.333 0.000 2.125 471 A HA -0.138 4.183 4.320 0.002 0.000 0.219 471 A C 1.249 178.570 177.584 -0.439 0.000 1.156 471 A CA 0.800 52.553 52.037 -0.474 0.000 0.671 471 A CB -0.547 18.075 19.000 -0.630 0.000 0.794 471 A HN 0.130 nan 8.150 nan 0.000 0.459 472 F N -1.161 118.793 119.950 0.008 0.000 2.695 472 F HA 0.250 4.778 4.527 0.002 0.000 0.303 472 F C 1.385 177.205 175.800 0.034 0.000 1.091 472 F CA 0.164 58.183 58.000 0.031 0.000 1.300 472 F CB 0.257 39.285 39.000 0.047 0.000 1.071 472 F HN 0.051 nan 8.300 nan 0.000 0.578 473 S N -0.234 115.540 115.700 0.123 0.000 2.900 473 S HA 0.255 4.726 4.470 0.002 0.000 0.253 473 S C 0.070 174.723 174.600 0.088 0.000 1.029 473 S CA -0.203 58.063 58.200 0.110 0.000 1.096 473 S CB 0.414 63.666 63.200 0.087 0.000 1.067 473 S HN -0.111 nan 8.310 nan 0.000 0.610 474 L N 4.808 126.012 121.223 -0.032 0.000 2.456 474 L HA 0.333 4.674 4.340 0.002 0.000 0.272 474 L C 0.585 177.370 176.870 -0.140 0.000 1.189 474 L CA 0.813 55.528 54.840 -0.209 0.000 0.846 474 L CB -0.248 41.549 42.059 -0.437 0.000 1.111 474 L HN 0.456 nan 8.230 nan 0.000 0.475 475 H N -0.118 118.729 119.070 -0.372 0.000 2.990 475 H HA 0.334 4.891 4.556 0.002 0.000 0.336 475 H C -0.580 174.565 175.328 -0.306 0.000 1.306 475 H CA -0.491 55.416 56.048 -0.234 0.000 1.118 475 H CB 1.015 30.742 29.762 -0.058 0.000 1.856 475 H HN 0.392 nan 8.280 nan 0.000 0.538 476 T N 0.872 115.370 114.554 -0.093 0.000 3.501 476 T HA -0.210 4.141 4.350 0.002 0.000 0.411 476 T C -0.445 174.155 174.700 -0.166 0.000 0.766 476 T CA 0.740 62.783 62.100 -0.095 0.000 2.129 476 T CB -2.623 66.146 68.868 -0.165 0.000 1.711 476 T HN 0.477 nan 8.240 nan 0.000 0.712 477 Y N 1.062 121.345 120.300 -0.028 0.000 2.281 477 Y HA 0.398 4.949 4.550 0.002 0.000 0.337 477 Y C 1.859 177.779 175.900 0.033 0.000 1.304 477 Y CA -0.037 58.068 58.100 0.008 0.000 1.465 477 Y CB 0.500 38.974 38.460 0.022 0.000 1.350 477 Y HN 0.484 nan 8.280 nan 0.000 0.575 478 T N -0.178 114.522 114.554 0.244 0.000 2.918 478 T HA 0.093 4.444 4.350 0.002 0.000 0.302 478 T C -1.771 173.021 174.700 0.153 0.000 1.045 478 T CA -1.616 60.582 62.100 0.162 0.000 1.114 478 T CB 1.214 70.177 68.868 0.158 0.000 0.965 478 T HN 0.456 nan 8.240 nan 0.000 0.540 479 P HA -0.207 nan 4.420 nan 0.000 0.219 479 P C 1.275 178.629 177.300 0.091 0.000 1.146 479 P CA 1.233 64.389 63.100 0.093 0.000 0.808 479 P CB -0.161 31.586 31.700 0.080 0.000 0.779 480 H N 0.599 119.692 119.070 0.039 0.000 2.363 480 H HA -0.098 4.459 4.556 0.002 0.000 0.301 480 H C 1.924 177.265 175.328 0.021 0.000 1.074 480 H CA 1.666 57.727 56.048 0.022 0.000 1.354 480 H CB 0.110 29.879 29.762 0.012 0.000 1.397 480 H HN 0.009 nan 8.280 nan 0.000 0.516 481 E N 0.873 121.091 120.200 0.029 0.000 2.072 481 E HA -0.065 4.286 4.350 0.002 0.000 0.190 481 E C 2.679 179.245 176.600 -0.057 0.000 0.982 481 E CA 0.830 57.228 56.400 -0.003 0.000 0.803 481 E CB -0.357 29.450 29.700 0.179 0.000 0.755 481 E HN 0.500 nan 8.360 nan 0.000 0.453 482 L N -0.066 121.151 121.223 -0.010 0.000 2.046 482 L HA -0.156 4.185 4.340 0.002 0.000 0.208 482 L C 2.453 179.289 176.870 -0.057 0.000 1.077 482 L CA 1.655 56.480 54.840 -0.026 0.000 0.747 482 L CB -0.630 41.444 42.059 0.025 0.000 0.896 482 L HN 0.194 nan 8.230 nan 0.000 0.432 483 T N -0.918 113.591 114.554 -0.075 0.000 2.708 483 T HA -0.233 4.118 4.350 0.002 0.000 0.266 483 T C 2.014 176.631 174.700 -0.139 0.000 1.037 483 T CA 1.402 63.448 62.100 -0.091 0.000 1.146 483 T CB -0.179 68.636 68.868 -0.089 0.000 0.865 483 T HN 0.242 nan 8.240 nan 0.000 0.435 484 R N 0.508 120.871 120.500 -0.228 0.000 2.083 484 R HA -0.093 4.248 4.340 0.002 0.000 0.237 484 R C 2.353 178.538 176.300 -0.192 0.000 1.137 484 R CA 1.352 57.307 56.100 -0.242 0.000 0.951 484 R CB -0.584 29.515 30.300 -0.335 0.000 0.851 484 R HN 0.218 nan 8.270 nan 0.000 0.434 485 V N 1.020 120.832 119.914 -0.168 0.000 2.332 485 V HA -0.249 3.872 4.120 0.002 0.000 0.248 485 V C 2.469 178.504 176.094 -0.097 0.000 1.055 485 V CA 1.968 64.179 62.300 -0.148 0.000 1.038 485 V CB -0.786 30.984 31.823 -0.088 0.000 0.651 485 V HN 0.575 nan 8.190 nan 0.000 0.450 486 A N -0.590 122.190 122.820 -0.068 0.000 1.933 486 A HA -0.201 4.120 4.320 0.002 0.000 0.218 486 A C 2.486 180.044 177.584 -0.043 0.000 1.175 486 A CA 2.210 54.228 52.037 -0.031 0.000 0.628 486 A CB -0.647 18.342 19.000 -0.018 0.000 0.814 486 A HN 0.503 nan 8.150 nan 0.000 0.444 487 S N -0.260 115.397 115.700 -0.071 0.000 2.368 487 S HA -0.004 4.467 4.470 0.002 0.000 0.224 487 S C 2.311 176.865 174.600 -0.077 0.000 1.029 487 S CA 1.079 59.237 58.200 -0.070 0.000 0.988 487 S CB -0.425 62.725 63.200 -0.084 0.000 0.838 487 S HN 0.789 nan 8.310 nan 0.000 0.462 488 A N 1.626 124.381 122.820 -0.108 0.000 1.877 488 A HA -0.034 4.287 4.320 0.002 0.000 0.216 488 A C 2.080 179.618 177.584 -0.078 0.000 1.186 488 A CA 1.223 53.188 52.037 -0.121 0.000 0.620 488 A CB -0.785 18.095 19.000 -0.201 0.000 0.822 488 A HN 0.464 nan 8.150 nan 0.000 0.443 489 L N -1.349 119.845 121.223 -0.048 0.000 2.131 489 L HA -0.172 4.169 4.340 0.002 0.000 0.210 489 L C 2.860 179.735 176.870 0.008 0.000 1.092 489 L CA 1.277 56.125 54.840 0.012 0.000 0.759 489 L CB -0.467 41.640 42.059 0.079 0.000 0.903 489 L HN 0.367 nan 8.230 nan 0.000 0.435 490 R N 0.372 120.862 120.500 -0.017 0.000 2.066 490 R HA -0.131 4.210 4.340 0.002 0.000 0.232 490 R C 2.335 178.594 176.300 -0.068 0.000 1.131 490 R CA 1.296 57.373 56.100 -0.037 0.000 0.955 490 R CB -0.133 30.145 30.300 -0.037 0.000 0.851 490 R HN 0.264 nan 8.270 nan 0.000 0.432 491 K N 0.460 120.825 120.400 -0.058 0.000 2.152 491 K HA -0.125 4.197 4.320 0.002 0.000 0.206 491 K C 1.922 178.491 176.600 -0.052 0.000 1.048 491 K CA 1.115 57.368 56.287 -0.056 0.000 0.933 491 K CB -0.058 32.416 32.500 -0.043 0.000 0.721 491 K HN 0.149 nan 8.250 nan 0.000 0.447 492 L N -0.696 120.502 121.223 -0.042 0.000 2.341 492 L HA 0.054 4.395 4.340 0.002 0.000 0.214 492 L C 1.119 177.968 176.870 -0.034 0.000 1.115 492 L CA 0.536 55.362 54.840 -0.023 0.000 0.820 492 L CB -0.068 41.984 42.059 -0.012 0.000 0.944 492 L HN 0.468 nan 8.230 nan 0.000 0.452 493 G N 0.189 108.949 108.800 -0.065 0.000 2.149 493 G HA2 -0.203 3.758 3.960 0.002 0.000 0.235 493 G HA3 -0.203 3.758 3.960 0.002 0.000 0.235 493 G C 0.176 175.126 174.900 0.083 0.000 1.018 493 G CA 0.076 45.126 45.100 -0.083 0.000 0.728 493 G HN 0.505 nan 8.290 nan 0.000 0.508 494 A N 0.154 123.023 122.820 0.082 0.000 2.269 494 A HA 0.945 5.266 4.320 0.002 0.000 0.319 494 A C -1.517 176.161 177.584 0.157 0.000 1.110 494 A CA -1.327 50.801 52.037 0.153 0.000 0.847 494 A CB 1.131 20.275 19.000 0.239 0.000 1.161 494 A HN 0.227 nan 8.150 nan 0.000 0.497 495 P HA 0.207 nan 4.420 nan 0.000 0.269 495 P C -2.641 174.745 177.300 0.144 0.000 1.215 495 P CA -0.887 62.207 63.100 -0.010 0.000 0.780 495 P CB -0.197 31.312 31.700 -0.319 0.000 0.898 496 P HA 0.096 nan 4.420 nan 0.000 0.272 496 P C 1.334 178.794 177.300 0.266 0.000 1.230 496 P CA -0.184 63.010 63.100 0.156 0.000 0.788 496 P CB 0.921 32.669 31.700 0.081 0.000 0.949 497 L N 1.100 122.489 121.223 0.278 0.000 2.051 497 L HA -0.255 4.087 4.340 0.002 0.000 0.214 497 L C 2.898 179.936 176.870 0.280 0.000 1.076 497 L CA 2.209 57.238 54.840 0.315 0.000 0.758 497 L CB -0.820 41.325 42.059 0.144 0.000 0.890 497 L HN 0.496 nan 8.230 nan 0.000 0.433 498 R N 0.346 120.951 120.500 0.176 0.000 2.159 498 R HA -0.137 4.204 4.340 0.002 0.000 0.237 498 R C 2.153 178.527 176.300 0.124 0.000 1.131 498 R CA 1.296 57.484 56.100 0.147 0.000 0.982 498 R CB -0.682 29.675 30.300 0.096 0.000 0.868 498 R HN 0.297 nan 8.270 nan 0.000 0.453 499 A N 1.097 123.954 122.820 0.061 0.000 1.897 499 A HA -0.056 4.265 4.320 0.002 0.000 0.215 499 A C 1.702 179.244 177.584 -0.070 0.000 1.181 499 A CA 0.745 52.740 52.037 -0.070 0.000 0.620 499 A CB -0.843 18.028 19.000 -0.216 0.000 0.821 499 A HN 0.529 nan 8.150 nan 0.000 0.443 500 W N 0.300 121.679 121.300 0.130 0.000 2.374 500 W HA -0.085 4.576 4.660 0.002 0.000 0.288 500 W C 2.295 178.990 176.519 0.293 0.000 1.218 500 W CA 1.532 58.992 57.345 0.192 0.000 1.245 500 W CB 0.056 29.627 29.460 0.186 0.000 1.126 500 W HN 0.299 nan 8.180 nan 0.000 0.545 501 K N 0.192 120.888 120.400 0.493 0.000 2.097 501 K HA -0.156 4.165 4.320 0.002 0.000 0.206 501 K C 2.060 178.799 176.600 0.231 0.000 1.049 501 K CA 1.779 58.363 56.287 0.495 0.000 0.933 501 K CB -0.271 32.488 32.500 0.432 0.000 0.717 501 K HN -0.048 nan 8.250 nan 0.000 0.442 502 S N 0.773 116.559 115.700 0.142 0.000 2.356 502 S HA -0.107 4.364 4.470 0.002 0.000 0.223 502 S C 1.820 176.435 174.600 0.025 0.000 1.032 502 S CA 1.270 59.500 58.200 0.050 0.000 1.005 502 S CB -0.222 62.985 63.200 0.011 0.000 0.867 502 S HN 0.369 nan 8.310 nan 0.000 0.449 503 R N 1.332 121.860 120.500 0.047 0.000 2.096 503 R HA 0.026 4.367 4.340 0.002 0.000 0.235 503 R C 2.577 178.898 176.300 0.035 0.000 1.127 503 R CA 1.137 57.258 56.100 0.034 0.000 0.968 503 R CB -0.543 29.788 30.300 0.053 0.000 0.861 503 R HN 0.402 nan 8.270 nan 0.000 0.440 504 A N 1.253 124.141 122.820 0.113 0.000 1.986 504 A HA -0.214 4.107 4.320 0.002 0.000 0.220 504 A C 2.093 179.507 177.584 -0.282 0.000 1.171 504 A CA 1.354 53.368 52.037 -0.038 0.000 0.640 504 A CB -0.429 18.580 19.000 0.015 0.000 0.811 504 A HN 0.221 nan 8.150 nan 0.000 0.451 505 R N -0.798 119.589 120.500 -0.187 0.000 2.083 505 R HA -0.127 4.214 4.340 0.002 0.000 0.237 505 R C 2.495 178.678 176.300 -0.195 0.000 1.137 505 R CA 1.406 57.389 56.100 -0.194 0.000 0.951 505 R CB -0.402 29.827 30.300 -0.117 0.000 0.851 505 R HN 0.522 nan 8.270 nan 0.000 0.434 506 A N 0.074 122.804 122.820 -0.149 0.000 1.930 506 A HA -0.102 4.219 4.320 0.002 0.000 0.217 506 A C 2.268 179.745 177.584 -0.179 0.000 1.175 506 A CA 1.311 53.269 52.037 -0.132 0.000 0.627 506 A CB -0.429 18.518 19.000 -0.088 0.000 0.815 506 A HN 0.164 nan 8.150 nan 0.000 0.443 507 V N 0.109 119.873 119.914 -0.250 0.000 2.295 507 V HA -0.264 3.857 4.120 0.002 0.000 0.246 507 V C 2.655 178.464 176.094 -0.475 0.000 1.049 507 V CA 2.317 64.412 62.300 -0.341 0.000 1.024 507 V CB -0.802 30.756 31.823 -0.441 0.000 0.648 507 V HN 0.697 nan 8.190 nan 0.000 0.447 508 R N 0.289 120.409 120.500 -0.634 0.000 2.083 508 R HA -0.199 4.142 4.340 0.002 0.000 0.237 508 R C 2.296 178.443 176.300 -0.255 0.000 1.137 508 R CA 1.888 57.689 56.100 -0.498 0.000 0.951 508 R CB -0.518 29.540 30.300 -0.403 0.000 0.851 508 R HN 0.475 nan 8.270 nan 0.000 0.434 509 A N 0.132 122.828 122.820 -0.206 0.000 1.902 509 A HA -0.145 4.177 4.320 0.002 0.000 0.217 509 A C 2.239 179.760 177.584 -0.105 0.000 1.181 509 A CA 1.979 53.938 52.037 -0.131 0.000 0.623 509 A CB -0.621 18.313 19.000 -0.110 0.000 0.818 509 A HN 0.461 nan 8.150 nan 0.000 0.443 510 S N -0.203 115.430 115.700 -0.112 0.000 2.368 510 S HA -0.086 4.385 4.470 0.002 0.000 0.225 510 S C 1.833 176.398 174.600 -0.059 0.000 1.030 510 S CA 1.407 59.563 58.200 -0.073 0.000 0.999 510 S CB -0.447 62.714 63.200 -0.065 0.000 0.844 510 S HN 0.501 nan 8.310 nan 0.000 0.459 511 L N 1.001 122.172 121.223 -0.087 0.000 2.017 511 L HA -0.082 4.260 4.340 0.002 0.000 0.208 511 L C 2.194 179.041 176.870 -0.039 0.000 1.073 511 L CA 1.179 55.986 54.840 -0.055 0.000 0.745 511 L CB -0.525 41.471 42.059 -0.104 0.000 0.894 511 L HN 0.308 nan 8.230 nan 0.000 0.432 512 I N -1.086 119.449 120.570 -0.057 0.000 2.361 512 I HA -0.269 3.902 4.170 0.002 0.000 0.251 512 I C 2.625 178.726 176.117 -0.027 0.000 1.133 512 I CA 0.884 62.161 61.300 -0.039 0.000 1.413 512 I CB -0.239 37.732 38.000 -0.049 0.000 1.073 512 I HN 0.186 nan 8.210 nan 0.000 0.424 513 S N 0.581 116.262 115.700 -0.031 0.000 2.370 513 S HA -0.162 4.309 4.470 0.002 0.000 0.226 513 S C 1.962 176.555 174.600 -0.010 0.000 1.033 513 S CA 1.332 59.518 58.200 -0.022 0.000 1.011 513 S CB -0.203 62.982 63.200 -0.025 0.000 0.852 513 S HN 0.392 nan 8.310 nan 0.000 0.457 514 R N 0.821 121.318 120.500 -0.004 0.000 2.316 514 R HA 0.139 4.480 4.340 0.002 0.000 0.202 514 R C 1.473 177.778 176.300 0.009 0.000 1.029 514 R CA 0.356 56.460 56.100 0.007 0.000 1.018 514 R CB -0.504 29.808 30.300 0.021 0.000 0.888 514 R HN 0.441 nan 8.270 nan 0.000 0.471 515 G N 0.079 108.881 108.800 0.003 0.000 2.668 515 G HA2 -0.160 3.801 3.960 0.002 0.000 0.266 515 G HA3 -0.160 3.801 3.960 0.002 0.000 0.266 515 G C 0.527 175.433 174.900 0.010 0.000 1.328 515 G CA -0.222 44.880 45.100 0.004 0.000 0.911 515 G HN 0.661 nan 8.290 nan 0.000 0.567 516 G N -1.235 107.570 108.800 0.008 0.000 2.564 516 G HA2 -0.204 3.757 3.960 0.002 0.000 0.273 516 G HA3 -0.204 3.757 3.960 0.002 0.000 0.273 516 G C 1.202 176.107 174.900 0.007 0.000 1.242 516 G CA 1.385 46.490 45.100 0.009 0.000 0.951 516 G HN 1.492 nan 8.290 nan 0.000 0.564 517 R N 0.301 120.809 120.500 0.015 0.000 2.096 517 R HA 0.043 4.384 4.340 0.002 0.000 0.235 517 R C 3.115 179.432 176.300 0.029 0.000 1.127 517 R CA 1.984 58.092 56.100 0.014 0.000 0.968 517 R CB -0.844 29.476 30.300 0.034 0.000 0.861 517 R HN 0.806 nan 8.270 nan 0.000 0.440 518 A N 1.871 124.721 122.820 0.050 0.000 1.908 518 A HA -0.120 4.201 4.320 0.002 0.000 0.218 518 A C 2.479 180.073 177.584 0.017 0.000 1.181 518 A CA 1.801 53.876 52.037 0.063 0.000 0.627 518 A CB -0.551 18.491 19.000 0.070 0.000 0.818 518 A HN 0.385 nan 8.150 nan 0.000 0.445 519 A N -0.612 122.213 122.820 0.009 0.000 1.902 519 A HA 0.016 4.337 4.320 0.002 0.000 0.217 519 A C 2.226 179.816 177.584 0.009 0.000 1.181 519 A CA 1.761 53.798 52.037 0.001 0.000 0.623 519 A CB -0.885 18.117 19.000 0.003 0.000 0.818 519 A HN 0.400 nan 8.150 nan 0.000 0.443 520 V N -0.793 119.118 119.914 -0.006 0.000 2.295 520 V HA -0.327 3.794 4.120 0.002 0.000 0.246 520 V C 2.653 178.735 176.094 -0.019 0.000 1.049 520 V CA 2.006 64.288 62.300 -0.029 0.000 1.024 520 V CB -1.248 30.475 31.823 -0.166 0.000 0.648 520 V HN 0.705 nan 8.190 nan 0.000 0.447 521 C N 0.894 120.164 119.300 -0.049 0.000 2.401 521 C HA -0.136 4.325 4.460 0.002 0.000 0.276 521 C C 2.936 177.897 174.990 -0.048 0.000 1.233 521 C CA 1.036 59.998 59.018 -0.093 0.000 1.753 521 C CB -1.719 25.937 27.740 -0.140 0.000 2.029 521 C HN 0.708 nan 8.230 nan 0.000 0.478 522 G N -0.118 108.676 108.800 -0.010 0.000 2.404 522 G HA2 -0.177 3.784 3.960 0.002 0.000 0.215 522 G HA3 -0.177 3.784 3.960 0.002 0.000 0.215 522 G C 1.790 176.729 174.900 0.065 0.000 1.174 522 G CA 0.431 45.559 45.100 0.047 0.000 0.780 522 G HN 0.584 nan 8.290 nan 0.000 0.537 523 R N -1.071 119.454 120.500 0.041 0.000 2.075 523 R HA -0.011 4.330 4.340 0.002 0.000 0.232 523 R C 2.351 178.586 176.300 -0.108 0.000 1.126 523 R CA 1.267 57.362 56.100 -0.008 0.000 0.963 523 R CB -0.361 29.961 30.300 0.037 0.000 0.858 523 R HN 0.444 nan 8.270 nan 0.000 0.435 524 Y N 0.550 120.691 120.300 -0.264 0.000 2.201 524 Y HA 0.011 4.562 4.550 0.002 0.000 0.292 524 Y C 2.147 177.768 175.900 -0.464 0.000 1.119 524 Y CA 0.769 58.553 58.100 -0.526 0.000 1.127 524 Y CB -0.346 37.577 38.460 -0.896 0.000 1.019 524 Y HN -0.096 nan 8.280 nan 0.000 0.514 525 L N -1.771 119.337 121.223 -0.193 0.000 2.275 525 L HA -0.118 4.223 4.340 0.002 0.000 0.215 525 L C 0.593 177.209 176.870 -0.424 0.000 1.119 525 L CA 1.217 55.916 54.840 -0.235 0.000 0.790 525 L CB -0.367 41.437 42.059 -0.426 0.000 0.919 525 L HN 0.158 nan 8.230 nan 0.000 0.443 526 F N -1.605 118.292 119.950 -0.087 0.000 2.764 526 F HA 0.191 4.719 4.527 0.002 0.000 0.310 526 F C 1.524 177.018 175.800 -0.511 0.000 1.124 526 F CA -0.381 57.357 58.000 -0.437 0.000 1.252 526 F CB -0.345 38.383 39.000 -0.453 0.000 1.010 526 F HN -0.095 nan 8.300 nan 0.000 0.518 527 N N 1.059 119.692 118.700 -0.112 0.000 2.364 527 N HA -0.188 4.553 4.740 0.002 0.000 0.183 527 N C 1.927 177.418 175.510 -0.032 0.000 1.022 527 N CA 1.535 54.534 53.050 -0.085 0.000 0.883 527 N CB -0.132 38.318 38.487 -0.061 0.000 0.965 527 N HN 0.551 nan 8.380 nan 0.000 0.438 528 W N -0.753 120.582 121.300 0.058 0.000 2.519 528 W HA 0.217 4.878 4.660 0.002 0.000 0.266 528 W C 1.263 177.838 176.519 0.093 0.000 1.253 528 W CA 0.583 57.970 57.345 0.070 0.000 1.274 528 W CB -0.799 28.711 29.460 0.083 0.000 1.114 528 W HN 0.031 nan 8.180 nan 0.000 0.596 529 A N 1.540 123.947 122.820 -0.689 0.000 2.206 529 A HA 0.214 4.535 4.320 0.002 0.000 0.211 529 A C 0.982 178.432 177.584 -0.223 0.000 1.158 529 A CA 1.131 52.794 52.037 -0.623 0.000 0.761 529 A CB -0.846 17.543 19.000 -1.019 0.000 0.801 529 A HN 0.143 nan 8.150 nan 0.000 0.473 530 V N -4.813 115.012 119.914 -0.149 0.000 2.919 530 V HA 0.528 4.649 4.120 0.002 0.000 0.316 530 V C 0.626 176.699 176.094 -0.035 0.000 1.077 530 V CA -1.022 61.227 62.300 -0.086 0.000 0.977 530 V CB 1.643 33.406 31.823 -0.099 0.000 1.039 530 V HN 0.034 nan 8.190 nan 0.000 0.441 531 K N 0.775 121.160 120.400 -0.025 0.000 2.116 531 K HA 0.081 4.402 4.320 0.002 0.000 0.203 531 K C 0.953 177.539 176.600 -0.025 0.000 1.052 531 K CA 1.162 57.442 56.287 -0.013 0.000 0.952 531 K CB -0.262 32.233 32.500 -0.009 0.000 0.729 531 K HN 0.828 nan 8.250 nan 0.000 0.446 532 T N 3.215 117.748 114.554 -0.034 0.000 3.316 532 T HA 0.208 4.559 4.350 0.002 0.000 0.341 532 T C -0.158 174.513 174.700 -0.048 0.000 1.397 532 T CA -0.511 61.566 62.100 -0.038 0.000 1.085 532 T CB 0.359 69.205 68.868 -0.036 0.000 1.160 532 T HN -0.132 nan 8.240 nan 0.000 0.694 533 K N 2.336 122.706 120.400 -0.049 0.000 2.494 533 K HA 0.188 4.509 4.320 0.002 0.000 0.273 533 K C 0.544 177.101 176.600 -0.072 0.000 0.970 533 K CA -0.180 56.071 56.287 -0.061 0.000 0.963 533 K CB 0.222 32.691 32.500 -0.052 0.000 0.913 533 K HN 0.257 nan 8.250 nan 0.000 0.502 534 L N 2.326 123.491 121.223 -0.098 0.000 2.567 534 L HA 0.148 4.489 4.340 0.002 0.000 0.238 534 L C 1.485 178.283 176.870 -0.120 0.000 1.168 534 L CA -0.157 54.618 54.840 -0.109 0.000 0.817 534 L CB 0.405 42.381 42.059 -0.139 0.000 1.409 534 L HN 0.627 nan 8.230 nan 0.000 0.502 535 K N 0.882 121.214 120.400 -0.113 0.000 1.964 535 K HA -0.015 4.306 4.320 0.002 0.000 0.218 535 K C -0.303 176.212 176.600 -0.143 0.000 1.043 535 K CA 0.295 56.525 56.287 -0.095 0.000 0.966 535 K CB -0.654 31.812 32.500 -0.058 0.000 0.739 535 K HN 0.200 nan 8.250 nan 0.000 0.443 536 L N 1.112 122.200 121.223 -0.225 0.000 2.216 536 L HA -0.117 4.224 4.340 0.002 0.000 0.621 536 L C -0.673 176.179 176.870 -0.030 0.000 1.001 536 L CA 1.067 55.695 54.840 -0.354 0.000 1.319 536 L CB -2.238 39.573 42.059 -0.413 0.000 2.034 536 L HN 0.865 nan 8.230 nan 0.000 0.989 537 T N 1.096 115.728 114.554 0.129 0.000 2.930 537 T HA 0.920 5.271 4.350 0.002 0.000 0.290 537 T C -2.601 172.238 174.700 0.231 0.000 1.052 537 T CA -2.361 59.831 62.100 0.153 0.000 1.017 537 T CB 2.236 71.168 68.868 0.106 0.000 1.137 537 T HN 0.211 nan 8.240 nan 0.000 0.511 538 P HA 0.227 nan 4.420 nan 0.000 0.264 538 P C -0.653 176.701 177.300 0.090 0.000 1.179 538 P CA -0.010 63.169 63.100 0.131 0.000 0.763 538 P CB 0.295 32.047 31.700 0.086 0.000 0.806 539 L N 4.702 125.958 121.223 0.054 0.000 2.341 539 L HA 0.494 4.835 4.340 0.002 0.000 0.267 539 L C -1.458 175.409 176.870 -0.004 0.000 1.022 539 L CA -1.971 52.857 54.840 -0.021 0.000 0.844 539 L CB 0.847 42.836 42.059 -0.117 0.000 1.436 539 L HN 0.283 nan 8.230 nan 0.000 0.483 540 P HA -0.038 nan 4.420 nan 0.000 0.261 540 P C 0.282 177.581 177.300 -0.002 0.000 1.650 540 P CA 0.267 63.363 63.100 -0.008 0.000 0.846 540 P CB 0.054 31.745 31.700 -0.014 0.000 1.758 541 E N 1.552 121.757 120.200 0.009 0.000 2.150 541 E HA -0.139 4.212 4.350 0.002 0.000 0.193 541 E C 0.731 177.336 176.600 0.008 0.000 0.985 541 E CA 0.498 56.907 56.400 0.015 0.000 0.814 541 E CB -0.240 29.482 29.700 0.036 0.000 0.752 541 E HN 0.218 nan 8.360 nan 0.000 0.466 542 A N 1.725 124.551 122.820 0.010 0.000 3.048 542 A HA 0.144 4.465 4.320 0.002 0.000 0.264 542 A C 1.005 178.590 177.584 0.002 0.000 1.796 542 A CA 0.174 52.214 52.037 0.006 0.000 1.445 542 A CB -0.734 18.272 19.000 0.009 0.000 1.074 542 A HN 0.267 nan 8.150 nan 0.000 0.621 543 R N 0.312 120.811 120.500 -0.002 0.000 2.424 543 R HA 0.331 4.672 4.340 0.002 0.000 0.300 543 R C -1.120 175.176 176.300 -0.007 0.000 0.730 543 R CA 0.050 56.148 56.100 -0.003 0.000 0.969 543 R CB 0.212 30.510 30.300 -0.002 0.000 1.669 543 R HN 0.535 nan 8.270 nan 0.000 0.500 544 L N 0.576 121.791 121.223 -0.012 0.000 2.491 544 L HA 0.669 5.010 4.340 0.002 0.000 0.254 544 L C -1.278 175.575 176.870 -0.029 0.000 1.048 544 L CA -1.179 53.649 54.840 -0.020 0.000 0.855 544 L CB 2.698 44.743 42.059 -0.022 0.000 1.466 544 L HN -0.113 nan 8.230 nan 0.000 0.409 545 L N 0.850 122.048 121.223 -0.041 0.000 2.705 545 L HA 0.321 4.662 4.340 0.002 0.000 0.260 545 L C -1.593 175.233 176.870 -0.073 0.000 0.921 545 L CA -0.398 54.412 54.840 -0.049 0.000 0.948 545 L CB 2.413 44.452 42.059 -0.033 0.000 1.427 545 L HN 0.587 nan 8.230 nan 0.000 0.432 546 D N 1.798 122.139 120.400 -0.099 0.000 2.332 546 D HA 0.450 5.091 4.640 0.002 0.000 0.252 546 D C 0.491 176.729 176.300 -0.103 0.000 1.050 546 D CA -0.344 53.565 54.000 -0.151 0.000 0.970 546 D CB 2.205 42.878 40.800 -0.212 0.000 1.141 546 D HN 0.422 nan 8.370 nan 0.000 0.485 547 L N 0.622 121.782 121.223 -0.105 0.000 2.269 547 L HA 0.038 4.379 4.340 0.002 0.000 0.200 547 L C 1.566 178.436 176.870 -0.000 0.000 1.069 547 L CA 0.067 54.897 54.840 -0.016 0.000 0.804 547 L CB -0.542 41.551 42.059 0.058 0.000 0.987 547 L HN 0.315 nan 8.230 nan 0.000 0.468 548 S N 0.000 115.701 115.700 0.001 0.000 2.498 548 S HA 0.000 4.471 4.470 0.002 0.000 0.327 548 S CA 0.000 58.222 58.200 0.037 0.000 1.107 548 S CB 0.000 63.281 63.200 0.134 0.000 0.593 548 S HN 0.000 nan 8.310 nan 0.000 0.517