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 1f1h_1_C DATA FIRST_RESID 1 DATA SEQUENCE SAEHVLTMLN EHEVKFVDLR FTDTKGKEQH VTIPAHQVNA EFFEEGKMFD DATA SEQUENCE GSSIGGWKGI NESDMVLMPD ASTAVIDPFF ADSTLIIRCD ILEPGTLQGY DATA SEQUENCE DRDPRSIAKR AEDYLRATGI ADTVLFGPEP EFFLFDDIRF GASISGSHVA DATA SEQUENCE IDDIEGAWNS STKYEGGNKG HRPGVKGGYF PVPPVDSAQD IRSEMCLVME DATA SEQUENCE QMGLVVEAHH HEVATAGQNE VATRFNTMTK KADEIQIYKY VVHNVAHRFG DATA SEQUENCE KTATFMPKPM FGDNGSGMHC HMSLAKNGTN LFSGDKYAGL SEQALYYIGG DATA SEQUENCE VIKHAKAINA LANPTTNSYK RLVPGYEAPV MLAYSARNRS ASIRIPVVAS DATA SEQUENCE PKARRIEVRF PDPAANPYLC FAALLMAGLD GIKNKIHPGE PMDKNLYDLP DATA SEQUENCE PEEAKEIPQV AGSLEEALNA LDLDREFLKA GGVFTDEAID AYIALRREED DATA SEQUENCE DRVRMTPHPV EFELYYSV 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 0.000 174.465 174.600 -0.226 0.000 1.055 1 S CA 0.000 58.173 58.200 -0.045 0.000 1.107 1 S CB 0.000 63.160 63.200 -0.066 0.000 0.593 2 A N 1.291 123.770 122.820 -0.569 0.000 1.894 2 A HA -0.225 4.096 4.320 0.001 0.000 0.220 2 A C 2.045 179.357 177.584 -0.453 0.000 1.237 2 A CA 3.096 54.502 52.037 -1.052 0.000 0.660 2 A CB -2.020 16.404 19.000 -0.961 0.000 0.835 2 A HN 1.265 nan 8.150 nan 0.000 0.461 3 E N -0.523 119.544 120.200 -0.221 0.000 2.058 3 E HA -0.275 4.076 4.350 0.001 0.000 0.194 3 E C 1.955 178.549 176.600 -0.011 0.000 0.997 3 E CA 2.149 58.497 56.400 -0.086 0.000 0.801 3 E CB -0.768 28.904 29.700 -0.047 0.000 0.746 3 E HN 0.807 nan 8.360 nan 0.000 0.450 4 H N -0.125 118.896 119.070 -0.081 0.000 2.353 4 H HA -0.079 4.478 4.556 0.001 0.000 0.300 4 H C 1.979 177.309 175.328 0.004 0.000 1.090 4 H CA 1.786 57.816 56.048 -0.030 0.000 1.327 4 H CB 0.100 29.848 29.762 -0.023 0.000 1.383 4 H HN 0.180 nan 8.280 nan 0.000 0.508 5 V N 1.600 121.402 119.914 -0.187 0.000 2.332 5 V HA -0.269 3.852 4.120 0.001 0.000 0.248 5 V C 2.821 178.891 176.094 -0.039 0.000 1.055 5 V CA 1.215 63.431 62.300 -0.141 0.000 1.038 5 V CB -0.568 31.320 31.823 0.108 0.000 0.651 5 V HN 0.402 nan 8.190 nan 0.000 0.450 6 L N -0.159 121.067 121.223 0.005 0.000 2.265 6 L HA -0.138 4.203 4.340 0.001 0.000 0.215 6 L C 2.449 179.327 176.870 0.013 0.000 1.117 6 L CA 2.051 56.917 54.840 0.044 0.000 0.782 6 L CB -1.938 40.153 42.059 0.053 0.000 0.914 6 L HN 0.421 nan 8.230 nan 0.000 0.441 7 T N -0.669 113.875 114.554 -0.017 0.000 2.698 7 T HA -0.155 4.196 4.350 0.001 0.000 0.260 7 T C 2.010 176.708 174.700 -0.004 0.000 1.044 7 T CA 1.046 63.145 62.100 -0.002 0.000 1.149 7 T CB -0.085 68.803 68.868 0.033 0.000 0.864 7 T HN 0.194 nan 8.240 nan 0.000 0.419 8 M N 0.766 120.335 119.600 -0.051 0.000 2.195 8 M HA -0.068 4.413 4.480 0.001 0.000 0.260 8 M C 2.134 178.501 176.300 0.111 0.000 1.066 8 M CA 1.381 56.714 55.300 0.055 0.000 1.089 8 M CB -0.700 31.878 32.600 -0.038 0.000 1.377 8 M HN 0.224 nan 8.290 nan 0.000 0.411 9 L N -0.343 120.911 121.223 0.051 0.000 2.083 9 L HA -0.233 4.108 4.340 0.001 0.000 0.209 9 L C 1.691 178.592 176.870 0.052 0.000 1.083 9 L CA 1.419 56.292 54.840 0.055 0.000 0.752 9 L CB -0.682 41.401 42.059 0.040 0.000 0.899 9 L HN 0.383 nan 8.230 nan 0.000 0.433 10 N N -0.750 117.970 118.700 0.033 0.000 2.368 10 N HA -0.132 4.609 4.740 0.001 0.000 0.176 10 N C 1.715 177.222 175.510 -0.005 0.000 1.021 10 N CA 0.338 53.398 53.050 0.015 0.000 0.888 10 N CB 0.093 38.584 38.487 0.007 0.000 0.995 10 N HN 0.242 nan 8.380 nan 0.000 0.437 11 E N 0.048 120.231 120.200 -0.028 0.000 2.153 11 E HA -0.163 4.188 4.350 0.001 0.000 0.194 11 E C 0.491 176.938 176.600 -0.255 0.000 0.988 11 E CA 0.982 57.295 56.400 -0.146 0.000 0.811 11 E CB 0.144 29.733 29.700 -0.185 0.000 0.746 11 E HN 0.541 nan 8.360 nan 0.000 0.466 12 H N -0.425 118.649 119.070 0.007 0.000 2.592 12 H HA 0.154 4.711 4.556 0.001 0.000 0.279 12 H C -0.398 174.939 175.328 0.015 0.000 1.089 12 H CA 0.194 56.250 56.048 0.013 0.000 1.150 12 H CB 0.543 30.314 29.762 0.015 0.000 1.575 12 H HN 0.205 nan 8.280 nan 0.000 0.547 13 E N 0.828 121.082 120.200 0.091 0.000 2.199 13 E HA -0.152 4.199 4.350 0.001 0.000 0.208 13 E C -0.335 176.301 176.600 0.060 0.000 1.310 13 E CA 0.022 56.456 56.400 0.055 0.000 0.709 13 E CB -1.256 28.470 29.700 0.042 0.000 1.127 13 E HN 0.091 nan 8.360 nan 0.000 0.354 14 V N 1.299 121.254 119.914 0.067 0.000 2.599 14 V HA -0.109 4.012 4.120 0.001 0.000 0.300 14 V C 1.592 177.669 176.094 -0.029 0.000 1.034 14 V CA 0.739 63.068 62.300 0.049 0.000 1.115 14 V CB 1.115 32.969 31.823 0.051 0.000 0.934 14 V HN 0.305 nan 8.190 nan 0.000 0.485 15 K N 3.611 123.983 120.400 -0.047 0.000 2.276 15 K HA 0.253 4.574 4.320 0.001 0.000 0.198 15 K C -0.202 175.991 176.600 -0.679 0.000 1.052 15 K CA 0.764 56.867 56.287 -0.306 0.000 0.984 15 K CB 0.442 32.815 32.500 -0.212 0.000 0.836 15 K HN 0.501 nan 8.250 nan 0.000 0.490 16 F N -0.160 119.782 119.950 -0.014 0.000 2.629 16 F HA 0.388 4.916 4.527 0.001 0.000 0.316 16 F C -0.429 175.362 175.800 -0.016 0.000 1.081 16 F CA -1.240 56.736 58.000 -0.040 0.000 0.954 16 F CB 1.708 40.694 39.000 -0.023 0.000 1.337 16 F HN -0.463 nan 8.300 nan 0.000 0.474 17 V N 0.947 120.956 119.914 0.158 0.000 2.531 17 V HA 0.314 4.435 4.120 0.001 0.000 0.301 17 V C -1.406 174.760 176.094 0.120 0.000 1.034 17 V CA -0.637 61.718 62.300 0.092 0.000 0.865 17 V CB 1.793 33.601 31.823 -0.024 0.000 0.995 17 V HN 0.650 nan 8.190 nan 0.000 0.424 18 D N 4.297 124.790 120.400 0.157 0.000 2.412 18 D HA 0.425 5.065 4.640 0.001 0.000 0.224 18 D C -0.633 175.753 176.300 0.143 0.000 1.093 18 D CA -0.346 53.764 54.000 0.183 0.000 0.850 18 D CB 1.043 42.026 40.800 0.306 0.000 1.046 18 D HN 0.156 nan 8.370 nan 0.000 0.507 19 L N 4.461 125.759 121.223 0.126 0.000 2.315 19 L HA 0.360 4.701 4.340 0.001 0.000 0.283 19 L C 0.647 177.624 176.870 0.178 0.000 1.089 19 L CA 0.309 55.233 54.840 0.139 0.000 0.833 19 L CB 0.301 42.428 42.059 0.113 0.000 1.170 19 L HN 0.339 nan 8.230 nan 0.000 0.442 20 R N 4.289 124.890 120.500 0.168 0.000 2.711 20 R HA 0.809 5.150 4.340 0.001 0.000 0.284 20 R C -0.957 175.499 176.300 0.261 0.000 0.968 20 R CA -0.632 55.547 56.100 0.132 0.000 0.924 20 R CB 2.264 32.575 30.300 0.018 0.000 1.162 20 R HN 0.510 nan 8.270 nan 0.000 0.465 21 F N -2.485 117.508 119.950 0.072 0.000 2.779 21 F HA 0.540 5.068 4.527 0.001 0.000 0.316 21 F C -1.276 174.597 175.800 0.123 0.000 1.164 21 F CA -0.998 57.059 58.000 0.096 0.000 0.924 21 F CB 1.635 40.713 39.000 0.130 0.000 1.348 21 F HN 0.179 nan 8.300 nan 0.000 0.467 22 T N 1.484 116.250 114.554 0.353 0.000 2.807 22 T HA 0.395 4.746 4.350 0.001 0.000 0.279 22 T C -0.921 173.991 174.700 0.353 0.000 0.993 22 T CA -0.537 61.705 62.100 0.237 0.000 0.970 22 T CB 1.274 70.333 68.868 0.318 0.000 0.950 22 T HN 0.771 nan 8.240 nan 0.000 0.441 23 D N 1.481 121.952 120.400 0.118 0.000 2.433 23 D HA 0.150 4.791 4.640 0.001 0.000 0.255 23 D C 1.238 177.638 176.300 0.166 0.000 1.226 23 D CA -0.405 53.578 54.000 -0.028 0.000 1.015 23 D CB 0.016 40.646 40.800 -0.283 0.000 1.091 23 D HN 0.308 nan 8.370 nan 0.000 0.527 24 T N -0.394 114.249 114.554 0.148 0.000 2.720 24 T HA -0.143 4.208 4.350 0.001 0.000 0.268 24 T C 1.586 176.444 174.700 0.263 0.000 1.037 24 T CA 1.501 63.790 62.100 0.316 0.000 1.144 24 T CB -0.199 68.886 68.868 0.361 0.000 0.864 24 T HN 0.417 nan 8.240 nan 0.000 0.444 25 K N 0.078 120.552 120.400 0.124 0.000 2.283 25 K HA 0.091 4.412 4.320 0.001 0.000 0.202 25 K C 1.542 178.217 176.600 0.123 0.000 1.048 25 K CA 0.730 57.080 56.287 0.104 0.000 0.948 25 K CB 0.042 32.552 32.500 0.017 0.000 0.742 25 K HN 0.470 nan 8.250 nan 0.000 0.458 26 G N 1.614 110.485 108.800 0.119 0.000 2.168 26 G HA2 -0.206 3.755 3.960 0.001 0.000 0.197 26 G HA3 -0.206 3.755 3.960 0.001 0.000 0.197 26 G C -0.321 174.612 174.900 0.055 0.000 0.997 26 G CA -0.323 44.839 45.100 0.104 0.000 0.658 26 G HN 0.148 nan 8.290 nan 0.000 0.513 27 K N 1.558 121.975 120.400 0.028 0.000 2.227 27 K HA 0.524 4.845 4.320 0.001 0.000 0.280 27 K C 0.465 177.040 176.600 -0.041 0.000 1.041 27 K CA -0.551 55.733 56.287 -0.005 0.000 0.905 27 K CB 0.659 33.144 32.500 -0.025 0.000 1.068 27 K HN 0.292 nan 8.250 nan 0.000 0.470 28 E N 3.177 123.355 120.200 -0.037 0.000 2.384 28 E HA -0.025 4.326 4.350 0.001 0.000 0.266 28 E C -0.515 175.970 176.600 -0.192 0.000 1.012 28 E CA 0.047 56.392 56.400 -0.091 0.000 0.901 28 E CB 0.535 30.202 29.700 -0.055 0.000 0.967 28 E HN 0.461 nan 8.360 nan 0.000 0.435 29 Q N 2.432 121.990 119.800 -0.403 0.000 2.378 29 Q HA 0.387 4.728 4.340 0.001 0.000 0.276 29 Q C -0.428 175.364 176.000 -0.347 0.000 1.083 29 Q CA -0.835 54.671 55.803 -0.496 0.000 0.856 29 Q CB 2.096 30.214 28.738 -1.034 0.000 1.383 29 Q HN 0.712 nan 8.270 nan 0.000 0.458 30 H N -2.334 116.543 119.070 -0.321 0.000 3.037 30 H HA 0.700 5.257 4.556 0.001 0.000 0.336 30 H C -1.819 173.488 175.328 -0.034 0.000 1.323 30 H CA -0.841 55.128 56.048 -0.131 0.000 1.159 30 H CB 0.940 30.665 29.762 -0.063 0.000 1.882 30 H HN 0.416 nan 8.280 nan 0.000 0.535 31 V N 1.549 121.359 119.914 -0.174 0.000 2.851 31 V HA 0.548 4.669 4.120 0.001 0.000 0.307 31 V C -1.068 174.956 176.094 -0.117 0.000 1.129 31 V CA -0.154 62.011 62.300 -0.226 0.000 0.932 31 V CB 2.261 34.033 31.823 -0.085 0.000 1.024 31 V HN 1.092 nan 8.190 nan 0.000 0.426 32 T N 7.356 121.826 114.554 -0.139 0.000 2.824 32 T HA 0.732 5.083 4.350 0.001 0.000 0.280 32 T C -0.772 173.917 174.700 -0.018 0.000 0.995 32 T CA -0.148 61.924 62.100 -0.046 0.000 1.009 32 T CB 1.346 70.152 68.868 -0.102 0.000 0.955 32 T HN 0.509 nan 8.240 nan 0.000 0.452 33 I N 4.236 124.812 120.570 0.011 0.000 2.545 33 I HA 0.426 4.597 4.170 0.001 0.000 0.292 33 I C -2.438 173.648 176.117 -0.051 0.000 1.040 33 I CA -2.549 58.714 61.300 -0.062 0.000 1.068 33 I CB 2.288 40.182 38.000 -0.178 0.000 1.251 33 I HN 0.375 nan 8.210 nan 0.000 0.424 34 P HA 0.113 nan 4.420 nan 0.000 0.269 34 P C 0.037 177.019 177.300 -0.529 0.000 1.209 34 P CA -0.042 62.761 63.100 -0.494 0.000 0.776 34 P CB 0.724 31.914 31.700 -0.850 0.000 0.876 35 A N 3.001 125.537 122.820 -0.474 0.000 1.940 35 A HA -0.245 4.075 4.320 0.001 0.000 0.219 35 A C 1.711 179.156 177.584 -0.230 0.000 1.176 35 A CA 2.171 54.040 52.037 -0.279 0.000 0.631 35 A CB -1.825 17.064 19.000 -0.184 0.000 0.814 35 A HN 0.813 nan 8.150 nan 0.000 0.446 36 H N -1.353 117.620 119.070 -0.161 0.000 2.560 36 H HA 0.030 4.587 4.556 0.001 0.000 0.283 36 H C 1.391 176.644 175.328 -0.125 0.000 1.028 36 H CA 1.324 57.300 56.048 -0.121 0.000 1.221 36 H CB -0.246 29.453 29.762 -0.106 0.000 1.363 36 H HN 0.407 nan 8.280 nan 0.000 0.594 37 Q N 0.671 120.358 119.800 -0.189 0.000 2.425 37 Q HA 0.169 4.510 4.340 0.001 0.000 0.204 37 Q C 0.038 175.856 176.000 -0.303 0.000 0.933 37 Q CA 0.100 55.803 55.803 -0.166 0.000 0.939 37 Q CB 0.695 29.272 28.738 -0.268 0.000 1.044 37 Q HN 0.370 nan 8.270 nan 0.000 0.513 38 V N 3.562 123.288 119.914 -0.314 0.000 2.461 38 V HA 0.169 4.290 4.120 0.001 0.000 0.275 38 V C 0.119 176.211 176.094 -0.004 0.000 1.047 38 V CA -0.324 61.779 62.300 -0.329 0.000 0.955 38 V CB 0.742 32.441 31.823 -0.207 0.000 0.988 38 V HN 0.420 nan 8.190 nan 0.000 0.471 39 N N 3.865 122.651 118.700 0.144 0.000 3.243 39 N HA 0.576 5.316 4.740 0.001 0.000 0.280 39 N C 0.520 176.224 175.510 0.323 0.000 1.545 39 N CA -0.210 52.962 53.050 0.203 0.000 0.854 39 N CB 1.081 39.640 38.487 0.120 0.000 1.612 39 N HN 0.399 nan 8.380 nan 0.000 0.577 40 A N 0.075 123.034 122.820 0.231 0.000 1.859 40 A HA -0.262 4.059 4.320 0.001 0.000 0.217 40 A C 1.897 179.614 177.584 0.221 0.000 1.198 40 A CA 2.633 54.800 52.037 0.216 0.000 0.629 40 A CB -1.482 17.593 19.000 0.125 0.000 0.830 40 A HN 0.908 nan 8.150 nan 0.000 0.446 41 E N -0.609 119.690 120.200 0.165 0.000 2.055 41 E HA -0.298 4.053 4.350 0.001 0.000 0.209 41 E C 1.739 178.423 176.600 0.140 0.000 1.036 41 E CA 2.193 58.671 56.400 0.131 0.000 0.849 41 E CB -0.693 29.073 29.700 0.110 0.000 0.767 41 E HN 0.583 nan 8.360 nan 0.000 0.461 42 F N -0.390 119.551 119.950 -0.015 0.000 2.111 42 F HA -0.298 4.230 4.527 0.001 0.000 0.300 42 F C 1.875 177.564 175.800 -0.185 0.000 1.088 42 F CA 1.998 59.919 58.000 -0.131 0.000 1.243 42 F CB -0.355 38.513 39.000 -0.220 0.000 0.996 42 F HN 0.127 nan 8.300 nan 0.000 0.483 43 F N 0.421 120.236 119.950 -0.225 0.000 2.259 43 F HA -0.077 4.450 4.527 0.001 0.000 0.298 43 F C 2.225 177.902 175.800 -0.204 0.000 1.088 43 F CA 1.447 59.256 58.000 -0.319 0.000 1.358 43 F CB -0.245 38.680 39.000 -0.125 0.000 1.040 43 F HN -0.003 nan 8.300 nan 0.000 0.505 44 E N -0.345 119.893 120.200 0.064 0.000 2.250 44 E HA -0.093 4.258 4.350 0.001 0.000 0.192 44 E C 1.287 177.877 176.600 -0.017 0.000 0.986 44 E CA 1.008 57.426 56.400 0.030 0.000 0.849 44 E CB 0.090 29.819 29.700 0.048 0.000 0.797 44 E HN 0.540 nan 8.360 nan 0.000 0.482 45 E N -0.655 119.520 120.200 -0.040 0.000 2.715 45 E HA 0.258 4.609 4.350 0.001 0.000 0.224 45 E C 0.836 177.394 176.600 -0.071 0.000 0.962 45 E CA 0.059 56.434 56.400 -0.042 0.000 1.145 45 E CB 0.684 30.380 29.700 -0.008 0.000 1.083 45 E HN 0.096 nan 8.360 nan 0.000 0.506 46 G N 2.150 110.851 108.800 -0.165 0.000 2.682 46 G HA2 -0.314 3.647 3.960 0.001 0.000 0.256 46 G HA3 -0.314 3.647 3.960 0.001 0.000 0.256 46 G C -0.611 174.297 174.900 0.014 0.000 1.333 46 G CA 0.168 45.146 45.100 -0.205 0.000 0.904 46 G HN 0.287 nan 8.290 nan 0.000 0.569 47 K N -0.073 120.365 120.400 0.063 0.000 2.371 47 K HA 0.662 4.983 4.320 0.001 0.000 0.251 47 K C 0.677 177.294 176.600 0.029 0.000 0.934 47 K CA -0.672 55.667 56.287 0.086 0.000 0.798 47 K CB 1.240 33.816 32.500 0.126 0.000 1.204 47 K HN 0.757 nan 8.250 nan 0.000 0.427 48 M N 2.358 121.998 119.600 0.067 0.000 2.734 48 M HA 0.611 5.092 4.480 0.001 0.000 0.264 48 M C 0.059 176.524 176.300 0.275 0.000 1.080 48 M CA -0.904 54.500 55.300 0.174 0.000 0.981 48 M CB 0.801 33.499 32.600 0.164 0.000 1.514 48 M HN 0.492 nan 8.290 nan 0.000 0.569 49 F N -1.276 118.659 119.950 -0.027 0.000 2.849 49 F HA 0.597 5.125 4.527 0.001 0.000 0.341 49 F C -0.712 175.084 175.800 -0.007 0.000 1.185 49 F CA -1.256 56.740 58.000 -0.007 0.000 1.007 49 F CB 1.140 40.147 39.000 0.011 0.000 1.454 49 F HN 0.707 nan 8.300 nan 0.000 0.518 50 D N -0.696 119.805 120.400 0.169 0.000 2.892 50 D HA 0.256 4.897 4.640 0.001 0.000 0.291 50 D C 1.478 177.772 176.300 -0.010 0.000 1.341 50 D CA -0.195 53.825 54.000 0.034 0.000 0.844 50 D CB 0.735 41.565 40.800 0.049 0.000 1.093 50 D HN 0.739 nan 8.370 nan 0.000 0.480 51 G N 1.120 109.820 108.800 -0.167 0.000 2.597 51 G HA2 -0.476 3.485 3.960 0.001 0.000 0.222 51 G HA3 -0.476 3.485 3.960 0.001 0.000 0.222 51 G C 1.698 176.535 174.900 -0.105 0.000 1.135 51 G CA 1.352 46.267 45.100 -0.307 0.000 0.759 51 G HN 0.561 nan 8.290 nan 0.000 0.595 52 S N 0.135 115.773 115.700 -0.103 0.000 2.510 52 S HA -0.159 4.311 4.470 0.001 0.000 0.269 52 S C 1.958 176.562 174.600 0.007 0.000 0.979 52 S CA 1.901 60.080 58.200 -0.035 0.000 0.963 52 S CB -0.481 62.700 63.200 -0.031 0.000 0.733 52 S HN 0.272 nan 8.310 nan 0.000 0.525 53 S N 0.522 116.233 115.700 0.019 0.000 2.575 53 S HA 0.373 4.844 4.470 0.001 0.000 0.215 53 S C 0.647 175.272 174.600 0.042 0.000 0.966 53 S CA -0.263 57.960 58.200 0.039 0.000 0.911 53 S CB -0.083 63.151 63.200 0.055 0.000 0.780 53 S HN 0.494 nan 8.310 nan 0.000 0.514 54 I N 1.207 121.808 120.570 0.052 0.000 2.918 54 I HA 0.403 4.574 4.170 0.001 0.000 0.316 54 I C 0.911 176.999 176.117 -0.048 0.000 1.001 54 I CA -0.575 60.711 61.300 -0.024 0.000 1.142 54 I CB 0.576 38.529 38.000 -0.078 0.000 1.356 54 I HN 0.068 nan 8.210 nan 0.000 0.524 55 G N 0.605 109.314 108.800 -0.151 0.000 2.325 55 G HA2 0.462 4.423 3.960 0.001 0.000 0.298 55 G HA3 0.462 4.423 3.960 0.001 0.000 0.298 55 G C 0.721 175.573 174.900 -0.079 0.000 1.134 55 G CA 0.154 45.199 45.100 -0.092 0.000 0.876 55 G HN 1.117 nan 8.290 nan 0.000 0.452 56 G N 1.072 109.924 108.800 0.086 0.000 2.184 56 G HA2 -0.266 3.695 3.960 0.001 0.000 0.264 56 G HA3 -0.266 3.695 3.960 0.001 0.000 0.264 56 G C 0.706 175.921 174.900 0.524 0.000 0.975 56 G CA 0.811 46.050 45.100 0.231 0.000 0.642 56 G HN 0.634 nan 8.290 nan 0.000 0.536 57 W N 0.355 121.734 121.300 0.131 0.000 2.871 57 W HA 0.405 5.066 4.660 0.001 0.000 0.340 57 W C 1.233 177.805 176.519 0.089 0.000 1.058 57 W CA -0.697 56.764 57.345 0.195 0.000 1.633 57 W CB 0.188 29.772 29.460 0.207 0.000 1.067 57 W HN 0.327 nan 8.180 nan 0.000 0.554 58 K N 1.800 122.356 120.400 0.261 0.000 2.294 58 K HA 0.396 4.717 4.320 0.001 0.000 0.288 58 K C 0.384 177.041 176.600 0.095 0.000 1.072 58 K CA 0.204 56.570 56.287 0.132 0.000 0.960 58 K CB -0.168 32.384 32.500 0.087 0.000 1.043 58 K HN -0.000 nan 8.250 nan 0.000 0.455 59 G N 4.479 113.316 108.800 0.061 0.000 2.368 59 G HA2 0.200 4.161 3.960 0.001 0.000 0.320 59 G HA3 0.200 4.161 3.960 0.001 0.000 0.320 59 G C 0.726 175.633 174.900 0.011 0.000 1.158 59 G CA -0.764 44.358 45.100 0.035 0.000 0.912 59 G HN 0.563 nan 8.290 nan 0.000 0.456 60 I N 2.411 122.989 120.570 0.013 0.000 2.151 60 I HA -0.195 3.976 4.170 0.001 0.000 0.243 60 I C 2.121 178.233 176.117 -0.007 0.000 1.080 60 I CA 1.107 62.410 61.300 0.004 0.000 1.339 60 I CB -0.787 37.218 38.000 0.008 0.000 1.039 60 I HN 0.622 nan 8.210 nan 0.000 0.409 61 N N 0.345 119.039 118.700 -0.010 0.000 2.174 61 N HA -0.115 4.626 4.740 0.001 0.000 0.191 61 N C 0.197 175.687 175.510 -0.033 0.000 1.059 61 N CA 0.528 53.567 53.050 -0.018 0.000 0.889 61 N CB -0.166 38.312 38.487 -0.015 0.000 1.069 61 N HN 0.204 nan 8.380 nan 0.000 0.461 62 E N 1.604 121.779 120.200 -0.041 0.000 2.710 62 E HA -0.015 4.336 4.350 0.001 0.000 0.299 62 E C 0.023 176.560 176.600 -0.105 0.000 1.132 62 E CA 0.132 56.491 56.400 -0.069 0.000 1.220 62 E CB -0.869 28.791 29.700 -0.067 0.000 1.058 62 E HN 0.196 nan 8.360 nan 0.000 0.472 63 S N -0.158 115.480 115.700 -0.103 0.000 2.527 63 S HA -0.017 4.453 4.470 0.001 0.000 0.222 63 S C -0.027 174.438 174.600 -0.226 0.000 0.985 63 S CA -0.031 58.087 58.200 -0.138 0.000 0.921 63 S CB 0.025 63.170 63.200 -0.091 0.000 0.772 63 S HN 0.309 nan 8.310 nan 0.000 0.529 64 D N 1.106 121.382 120.400 -0.207 0.000 2.232 64 D HA 0.641 5.282 4.640 0.001 0.000 0.242 64 D C -0.510 175.617 176.300 -0.289 0.000 1.093 64 D CA 0.040 53.896 54.000 -0.240 0.000 0.845 64 D CB 0.904 41.629 40.800 -0.124 0.000 1.124 64 D HN 0.001 nan 8.370 nan 0.000 0.467 65 M N 1.416 120.773 119.600 -0.405 0.000 2.727 65 M HA 0.528 5.009 4.480 0.001 0.000 0.300 65 M C -1.305 175.063 176.300 0.113 0.000 1.246 65 M CA -0.918 54.205 55.300 -0.295 0.000 0.835 65 M CB 2.376 34.651 32.600 -0.542 0.000 1.755 65 M HN 0.060 nan 8.290 nan 0.000 0.473 66 V N 2.475 122.458 119.914 0.115 0.000 2.435 66 V HA 0.462 4.583 4.120 0.001 0.000 0.290 66 V C -0.718 175.394 176.094 0.031 0.000 1.030 66 V CA -0.800 61.564 62.300 0.108 0.000 0.881 66 V CB 1.509 33.332 31.823 -0.000 0.000 0.983 66 V HN 0.619 nan 8.190 nan 0.000 0.445 67 L N 5.250 126.415 121.223 -0.096 0.000 2.261 67 L HA 0.440 4.781 4.340 0.001 0.000 0.289 67 L C -0.135 176.638 176.870 -0.160 0.000 1.059 67 L CA -0.236 54.472 54.840 -0.220 0.000 0.816 67 L CB 1.074 42.933 42.059 -0.334 0.000 1.191 67 L HN 0.622 nan 8.230 nan 0.000 0.431 68 M N 8.436 127.948 119.600 -0.146 0.000 2.080 68 M HA 0.377 4.857 4.480 0.001 0.000 0.350 68 M C -2.343 173.860 176.300 -0.161 0.000 1.143 68 M CA -2.602 52.600 55.300 -0.164 0.000 1.064 68 M CB 0.733 33.267 32.600 -0.109 0.000 1.429 68 M HN 0.095 nan 8.290 nan 0.000 0.418 69 P HA 0.019 nan 4.420 nan 0.000 0.264 69 P C -0.954 176.326 177.300 -0.034 0.000 1.193 69 P CA 0.190 63.163 63.100 -0.210 0.000 0.763 69 P CB 0.488 31.816 31.700 -0.620 0.000 0.810 70 D N 3.024 123.454 120.400 0.051 0.000 2.467 70 D HA 0.247 4.888 4.640 0.001 0.000 0.220 70 D C 1.258 177.651 176.300 0.156 0.000 1.103 70 D CA -0.684 53.369 54.000 0.089 0.000 0.886 70 D CB 0.752 41.589 40.800 0.062 0.000 1.025 70 D HN 0.270 nan 8.370 nan 0.000 0.514 71 A N 2.924 125.875 122.820 0.219 0.000 2.131 71 A HA -0.178 4.143 4.320 0.001 0.000 0.220 71 A C 2.043 179.715 177.584 0.148 0.000 1.158 71 A CA 1.785 53.956 52.037 0.223 0.000 0.665 71 A CB -0.344 18.668 19.000 0.021 0.000 0.795 71 A HN 0.577 nan 8.150 nan 0.000 0.460 72 S N -0.664 115.103 115.700 0.111 0.000 2.461 72 S HA -0.097 4.374 4.470 0.001 0.000 0.228 72 S C 1.664 176.328 174.600 0.107 0.000 1.005 72 S CA 1.409 59.668 58.200 0.098 0.000 0.942 72 S CB -0.994 62.244 63.200 0.062 0.000 0.776 72 S HN 0.767 nan 8.310 nan 0.000 0.514 73 T N -0.359 114.261 114.554 0.109 0.000 3.129 73 T HA 0.505 4.856 4.350 0.001 0.000 0.251 73 T C 0.689 175.446 174.700 0.095 0.000 1.117 73 T CA 0.175 62.333 62.100 0.096 0.000 1.034 73 T CB -0.469 68.454 68.868 0.091 0.000 0.968 73 T HN 0.553 nan 8.240 nan 0.000 0.526 74 A N 1.275 124.167 122.820 0.120 0.000 2.561 74 A HA 0.520 4.840 4.320 0.001 0.000 0.251 74 A C 0.086 177.709 177.584 0.064 0.000 1.062 74 A CA -0.212 51.883 52.037 0.097 0.000 0.761 74 A CB -0.215 18.842 19.000 0.095 0.000 0.986 74 A HN 0.803 nan 8.150 nan 0.000 0.510 75 V N 5.149 125.075 119.914 0.020 0.000 2.969 75 V HA 0.386 4.507 4.120 0.001 0.000 0.304 75 V C -0.806 175.244 176.094 -0.072 0.000 1.192 75 V CA -1.022 61.264 62.300 -0.023 0.000 0.962 75 V CB 1.786 33.600 31.823 -0.014 0.000 1.045 75 V HN 0.768 nan 8.190 nan 0.000 0.428 76 I N 4.293 124.782 120.570 -0.135 0.000 2.588 76 I HA 0.215 4.386 4.170 0.001 0.000 0.283 76 I C 0.538 176.557 176.117 -0.163 0.000 1.119 76 I CA 0.407 61.602 61.300 -0.175 0.000 1.419 76 I CB 0.839 38.658 38.000 -0.303 0.000 1.394 76 I HN 0.724 nan 8.210 nan 0.000 0.562 77 D N 8.947 129.253 120.400 -0.157 0.000 2.317 77 D HA 0.144 4.785 4.640 0.001 0.000 0.252 77 D C -1.682 174.449 176.300 -0.281 0.000 1.174 77 D CA -1.269 52.573 54.000 -0.263 0.000 0.866 77 D CB 1.915 42.434 40.800 -0.470 0.000 1.127 77 D HN 0.302 nan 8.370 nan 0.000 0.467 78 P HA 0.067 nan 4.420 nan 0.000 0.249 78 P C 0.461 177.376 177.300 -0.641 0.000 1.229 78 P CA 0.178 62.934 63.100 -0.572 0.000 0.788 78 P CB 0.118 31.380 31.700 -0.730 0.000 1.072 79 F N -1.243 118.660 119.950 -0.079 0.000 2.557 79 F HA 0.280 4.808 4.527 0.001 0.000 0.278 79 F C 1.494 177.394 175.800 0.165 0.000 1.051 79 F CA -0.711 57.288 58.000 -0.002 0.000 1.357 79 F CB -0.965 37.994 39.000 -0.068 0.000 1.104 79 F HN -0.294 nan 8.300 nan 0.000 0.654 80 F N 0.882 120.970 119.950 0.230 0.000 2.629 80 F HA 0.091 4.619 4.527 0.001 0.000 0.369 80 F C 1.593 177.449 175.800 0.095 0.000 1.125 80 F CA -0.288 57.793 58.000 0.135 0.000 1.330 80 F CB 0.549 39.612 39.000 0.104 0.000 1.071 80 F HN 0.035 nan 8.300 nan 0.000 0.595 81 A N 2.106 125.078 122.820 0.253 0.000 1.968 81 A HA -0.063 4.258 4.320 0.001 0.000 0.217 81 A C 0.461 178.135 177.584 0.150 0.000 1.169 81 A CA 0.774 52.906 52.037 0.158 0.000 0.638 81 A CB -0.254 18.808 19.000 0.103 0.000 0.812 81 A HN 0.679 nan 8.150 nan 0.000 0.446 82 D N 0.112 120.616 120.400 0.173 0.000 2.168 82 D HA 0.260 4.901 4.640 0.001 0.000 0.246 82 D C -0.663 175.789 176.300 0.253 0.000 1.050 82 D CA -0.045 54.084 54.000 0.215 0.000 0.857 82 D CB 1.449 42.429 40.800 0.300 0.000 1.169 82 D HN 0.035 nan 8.370 nan 0.000 0.453 83 S N 1.227 117.049 115.700 0.203 0.000 2.629 83 S HA 0.102 4.573 4.470 0.001 0.000 0.302 83 S C 0.006 174.737 174.600 0.218 0.000 1.244 83 S CA 0.212 58.515 58.200 0.171 0.000 1.098 83 S CB -0.327 62.949 63.200 0.127 0.000 0.858 83 S HN 0.509 nan 8.310 nan 0.000 0.502 84 T N 4.819 119.501 114.554 0.214 0.000 2.916 84 T HA 0.558 4.909 4.350 0.001 0.000 0.298 84 T C -1.105 173.674 174.700 0.131 0.000 1.031 84 T CA -0.903 61.346 62.100 0.249 0.000 0.993 84 T CB 1.163 70.279 68.868 0.414 0.000 1.045 84 T HN 0.441 nan 8.240 nan 0.000 0.454 85 L N 5.391 126.676 121.223 0.104 0.000 2.296 85 L HA 0.680 5.021 4.340 0.001 0.000 0.286 85 L C -0.703 176.209 176.870 0.070 0.000 1.023 85 L CA -0.688 54.178 54.840 0.045 0.000 0.812 85 L CB 0.764 42.844 42.059 0.034 0.000 1.223 85 L HN 0.724 nan 8.230 nan 0.000 0.421 86 I N 6.115 126.703 120.570 0.030 0.000 2.428 86 I HA 0.338 4.508 4.170 0.001 0.000 0.289 86 I C -0.380 175.771 176.117 0.057 0.000 1.019 86 I CA -0.074 61.244 61.300 0.031 0.000 1.351 86 I CB 0.930 38.898 38.000 -0.053 0.000 1.412 86 I HN 0.479 nan 8.210 nan 0.000 0.513 87 I N 5.887 126.509 120.570 0.086 0.000 2.500 87 I HA 0.329 4.500 4.170 0.001 0.000 0.286 87 I C -0.096 176.083 176.117 0.104 0.000 1.063 87 I CA -0.659 60.708 61.300 0.111 0.000 1.062 87 I CB 1.788 39.884 38.000 0.159 0.000 1.223 87 I HN 0.559 nan 8.210 nan 0.000 0.435 88 R N 4.466 125.022 120.500 0.094 0.000 2.590 88 R HA 0.498 4.839 4.340 0.001 0.000 0.274 88 R C -1.062 175.294 176.300 0.094 0.000 1.061 88 R CA 0.239 56.401 56.100 0.102 0.000 1.081 88 R CB 0.709 31.069 30.300 0.099 0.000 0.984 88 R HN 0.710 nan 8.270 nan 0.000 0.448 89 C N 1.808 121.174 119.300 0.109 0.000 2.913 89 C HA 0.543 5.004 4.460 0.001 0.000 0.322 89 C C -1.029 173.976 174.990 0.026 0.000 1.292 89 C CA -0.836 58.210 59.018 0.046 0.000 1.649 89 C CB 2.082 29.835 27.740 0.022 0.000 2.139 89 C HN 0.774 nan 8.230 nan 0.000 0.475 90 D N 0.930 121.308 120.400 -0.036 0.000 2.269 90 D HA 0.459 5.100 4.640 0.001 0.000 0.244 90 D C -0.867 175.376 176.300 -0.096 0.000 0.992 90 D CA -0.167 53.797 54.000 -0.061 0.000 0.894 90 D CB 1.672 42.434 40.800 -0.064 0.000 1.248 90 D HN 0.222 nan 8.370 nan 0.000 0.468 91 I N 2.515 123.021 120.570 -0.107 0.000 2.312 91 I HA 0.301 4.472 4.170 0.001 0.000 0.290 91 I C 0.183 176.242 176.117 -0.097 0.000 1.008 91 I CA -0.319 60.907 61.300 -0.123 0.000 1.226 91 I CB 0.393 38.276 38.000 -0.196 0.000 1.371 91 I HN 0.138 nan 8.210 nan 0.000 0.468 92 L N 4.425 125.597 121.223 -0.084 0.000 2.330 92 L HA 0.509 4.850 4.340 0.001 0.000 0.271 92 L C 0.246 177.054 176.870 -0.104 0.000 1.013 92 L CA -1.000 53.795 54.840 -0.075 0.000 0.816 92 L CB 1.841 43.863 42.059 -0.062 0.000 1.287 92 L HN 0.426 nan 8.230 nan 0.000 0.435 93 E N 2.224 122.368 120.200 -0.094 0.000 2.338 93 E HA 0.235 4.586 4.350 0.001 0.000 0.272 93 E C -2.391 174.157 176.600 -0.086 0.000 1.029 93 E CA -1.491 54.836 56.400 -0.122 0.000 0.872 93 E CB 0.947 30.599 29.700 -0.081 0.000 1.015 93 E HN 0.189 nan 8.360 nan 0.000 0.417 94 P HA 0.066 nan 4.420 nan 0.000 0.267 94 P C 0.566 177.838 177.300 -0.046 0.000 1.200 94 P CA 0.928 63.993 63.100 -0.059 0.000 0.772 94 P CB 0.880 32.542 31.700 -0.063 0.000 0.855 95 G N 1.725 110.505 108.800 -0.033 0.000 5.229 95 G HA2 -0.395 3.566 3.960 0.001 0.000 0.250 95 G HA3 -0.395 3.566 3.960 0.001 0.000 0.250 95 G C 1.517 176.402 174.900 -0.025 0.000 1.380 95 G CA 0.945 46.030 45.100 -0.025 0.000 0.933 95 G HN 0.628 nan 8.290 nan 0.000 0.731 96 T N 0.331 114.868 114.554 -0.029 0.000 2.720 96 T HA 0.033 4.384 4.350 0.001 0.000 0.268 96 T C 1.642 176.326 174.700 -0.027 0.000 1.037 96 T CA 2.207 64.291 62.100 -0.026 0.000 1.144 96 T CB -0.330 68.522 68.868 -0.026 0.000 0.864 96 T HN 1.528 nan 8.240 nan 0.000 0.444 97 L N 0.687 121.890 121.223 -0.034 0.000 3.843 97 L HA -0.173 4.168 4.340 0.001 0.000 0.411 97 L C 1.460 178.310 176.870 -0.035 0.000 1.205 97 L CA 1.372 56.191 54.840 -0.036 0.000 0.945 97 L CB -1.705 40.336 42.059 -0.030 0.000 1.929 97 L HN 0.537 nan 8.230 nan 0.000 0.934 98 Q N 0.775 120.555 119.800 -0.034 0.000 2.123 98 Q HA 0.210 4.551 4.340 0.001 0.000 0.196 98 Q C 1.016 176.992 176.000 -0.040 0.000 0.958 98 Q CA 1.378 57.162 55.803 -0.032 0.000 0.841 98 Q CB 0.489 29.210 28.738 -0.028 0.000 0.915 98 Q HN 0.773 nan 8.270 nan 0.000 0.455 99 G N 0.977 109.753 108.800 -0.040 0.000 2.951 99 G HA2 -0.160 3.801 3.960 0.001 0.000 0.508 99 G HA3 -0.160 3.801 3.960 0.001 0.000 0.508 99 G C -1.181 173.697 174.900 -0.037 0.000 1.203 99 G CA -0.350 44.720 45.100 -0.051 0.000 1.209 99 G HN 0.257 nan 8.290 nan 0.000 0.552 100 Y N 2.467 122.637 120.300 -0.216 0.000 2.969 100 Y HA 0.001 4.552 4.550 0.001 0.000 0.339 100 Y C 1.489 177.227 175.900 -0.270 0.000 1.272 100 Y CA 0.737 58.671 58.100 -0.276 0.000 1.577 100 Y CB 0.614 38.823 38.460 -0.418 0.000 1.234 100 Y HN 0.614 nan 8.280 nan 0.000 0.590 101 D N 4.306 124.437 120.400 -0.448 0.000 2.149 101 D HA -0.171 4.470 4.640 0.001 0.000 0.198 101 D C 1.725 177.621 176.300 -0.674 0.000 0.990 101 D CA 1.612 55.322 54.000 -0.482 0.000 0.839 101 D CB 0.091 40.687 40.800 -0.340 0.000 0.948 101 D HN 0.580 nan 8.370 nan 0.000 0.460 102 R N 0.265 120.005 120.500 -1.267 0.000 2.317 102 R HA 0.054 4.395 4.340 0.001 0.000 0.208 102 R C -0.050 175.857 176.300 -0.655 0.000 0.914 102 R CA -0.094 55.448 56.100 -0.931 0.000 1.060 102 R CB 0.242 29.961 30.300 -0.968 0.000 1.015 102 R HN -0.022 nan 8.270 nan 0.000 0.498 103 D N 0.528 120.547 120.400 -0.635 0.000 2.336 103 D HA 0.061 4.702 4.640 0.001 0.000 0.249 103 D C -1.774 174.406 176.300 -0.200 0.000 1.213 103 D CA -2.501 51.318 54.000 -0.302 0.000 0.870 103 D CB 1.473 42.126 40.800 -0.245 0.000 1.076 103 D HN -0.136 nan 8.370 nan 0.000 0.483 104 P HA -0.140 nan 4.420 nan 0.000 0.216 104 P C 1.307 178.401 177.300 -0.343 0.000 1.150 104 P CA 1.006 64.036 63.100 -0.117 0.000 0.843 104 P CB 0.230 31.970 31.700 0.067 0.000 0.787 105 R N -0.702 119.487 120.500 -0.520 0.000 2.073 105 R HA -0.029 4.312 4.340 0.001 0.000 0.229 105 R C 2.229 178.349 176.300 -0.300 0.000 1.120 105 R CA 1.520 57.222 56.100 -0.662 0.000 0.967 105 R CB -0.508 29.444 30.300 -0.580 0.000 0.862 105 R HN 0.062 nan 8.270 nan 0.000 0.436 106 S N 0.791 116.350 115.700 -0.235 0.000 2.368 106 S HA -0.110 4.361 4.470 0.001 0.000 0.225 106 S C 1.851 176.334 174.600 -0.196 0.000 1.030 106 S CA 1.248 59.341 58.200 -0.179 0.000 0.999 106 S CB -0.163 62.935 63.200 -0.170 0.000 0.844 106 S HN 0.294 nan 8.310 nan 0.000 0.459 107 I N 1.552 121.958 120.570 -0.272 0.000 2.208 107 I HA -0.251 3.920 4.170 0.001 0.000 0.245 107 I C 2.657 178.631 176.117 -0.239 0.000 1.097 107 I CA 1.215 62.295 61.300 -0.366 0.000 1.363 107 I CB -0.505 37.143 38.000 -0.586 0.000 1.051 107 I HN 0.278 nan 8.210 nan 0.000 0.413 108 A N 0.651 123.392 122.820 -0.131 0.000 1.930 108 A HA -0.194 4.127 4.320 0.001 0.000 0.217 108 A C 2.316 179.914 177.584 0.022 0.000 1.175 108 A CA 1.437 53.478 52.037 0.007 0.000 0.627 108 A CB -0.364 18.727 19.000 0.151 0.000 0.815 108 A HN 0.312 nan 8.150 nan 0.000 0.443 109 K N -0.533 119.858 120.400 -0.015 0.000 2.057 109 K HA -0.095 4.225 4.320 0.001 0.000 0.206 109 K C 2.279 178.887 176.600 0.014 0.000 1.050 109 K CA 1.357 57.649 56.287 0.009 0.000 0.935 109 K CB -0.178 32.313 32.500 -0.016 0.000 0.715 109 K HN 0.388 nan 8.250 nan 0.000 0.439 110 R N 0.318 120.800 120.500 -0.029 0.000 2.096 110 R HA -0.103 4.237 4.340 0.001 0.000 0.235 110 R C 2.311 178.642 176.300 0.051 0.000 1.127 110 R CA 1.307 57.399 56.100 -0.013 0.000 0.968 110 R CB -0.308 29.940 30.300 -0.087 0.000 0.861 110 R HN 0.180 nan 8.270 nan 0.000 0.440 111 A N 1.109 123.953 122.820 0.041 0.000 1.968 111 A HA -0.130 4.191 4.320 0.001 0.000 0.217 111 A C 1.842 179.544 177.584 0.196 0.000 1.169 111 A CA 1.037 53.147 52.037 0.122 0.000 0.638 111 A CB -0.140 18.929 19.000 0.116 0.000 0.812 111 A HN 0.245 nan 8.150 nan 0.000 0.446 112 E N 0.036 120.324 120.200 0.147 0.000 2.107 112 E HA -0.154 4.197 4.350 0.001 0.000 0.191 112 E C 1.228 177.911 176.600 0.138 0.000 0.982 112 E CA 1.109 57.599 56.400 0.149 0.000 0.809 112 E CB -0.209 29.563 29.700 0.119 0.000 0.756 112 E HN 0.531 nan 8.360 nan 0.000 0.459 113 D N 0.484 120.957 120.400 0.122 0.000 2.084 113 D HA -0.183 4.458 4.640 0.001 0.000 0.194 113 D C 1.794 178.175 176.300 0.135 0.000 0.990 113 D CA 0.980 55.042 54.000 0.105 0.000 0.826 113 D CB -0.549 40.302 40.800 0.086 0.000 0.971 113 D HN 0.203 nan 8.370 nan 0.000 0.453 114 Y N 1.397 121.725 120.300 0.047 0.000 2.256 114 Y HA -0.176 4.375 4.550 0.001 0.000 0.288 114 Y C 2.182 178.126 175.900 0.073 0.000 1.155 114 Y CA 1.054 59.187 58.100 0.055 0.000 1.203 114 Y CB -0.190 38.304 38.460 0.056 0.000 0.980 114 Y HN -0.039 nan 8.280 nan 0.000 0.530 115 L N 0.058 121.378 121.223 0.162 0.000 2.017 115 L HA -0.245 4.096 4.340 0.001 0.000 0.208 115 L C 2.444 179.312 176.870 -0.003 0.000 1.073 115 L CA 1.868 56.764 54.840 0.093 0.000 0.745 115 L CB -0.435 41.724 42.059 0.167 0.000 0.894 115 L HN 0.284 nan 8.230 nan 0.000 0.432 116 R N -0.536 119.978 120.500 0.022 0.000 2.081 116 R HA -0.143 4.197 4.340 0.001 0.000 0.235 116 R C 2.303 178.580 176.300 -0.037 0.000 1.131 116 R CA 1.329 57.433 56.100 0.006 0.000 0.960 116 R CB -0.425 29.891 30.300 0.027 0.000 0.856 116 R HN 0.455 nan 8.270 nan 0.000 0.436 117 A N 0.810 123.591 122.820 -0.065 0.000 1.908 117 A HA -0.201 4.120 4.320 0.001 0.000 0.218 117 A C 2.195 179.689 177.584 -0.149 0.000 1.181 117 A CA 2.207 54.188 52.037 -0.094 0.000 0.627 117 A CB -0.954 17.995 19.000 -0.085 0.000 0.818 117 A HN 0.534 nan 8.150 nan 0.000 0.445 118 T N -3.993 110.406 114.554 -0.259 0.000 3.118 118 T HA 0.334 4.685 4.350 0.001 0.000 0.260 118 T C 1.534 176.177 174.700 -0.095 0.000 1.139 118 T CA 1.120 63.087 62.100 -0.223 0.000 1.085 118 T CB -0.369 68.306 68.868 -0.321 0.000 0.934 118 T HN 1.750 nan 8.240 nan 0.000 0.518 119 G N 1.552 110.315 108.800 -0.063 0.000 2.175 119 G HA2 -0.308 3.653 3.960 0.001 0.000 0.265 119 G HA3 -0.308 3.653 3.960 0.001 0.000 0.265 119 G C 0.834 175.740 174.900 0.009 0.000 0.979 119 G CA 0.529 45.619 45.100 -0.017 0.000 0.663 119 G HN 0.618 nan 8.290 nan 0.000 0.533 120 I N 0.178 120.756 120.570 0.015 0.000 2.454 120 I HA 0.229 4.400 4.170 0.001 0.000 0.254 120 I C 1.536 177.702 176.117 0.082 0.000 1.156 120 I CA 1.435 62.772 61.300 0.062 0.000 1.433 120 I CB -0.378 37.678 38.000 0.093 0.000 1.082 120 I HN 0.718 nan 8.210 nan 0.000 0.432 121 A N 0.659 123.519 122.820 0.068 0.000 2.515 121 A HA 0.351 4.671 4.320 0.001 0.000 0.292 121 A C -0.728 176.887 177.584 0.052 0.000 1.065 121 A CA -0.222 51.854 52.037 0.066 0.000 0.641 121 A CB 0.442 19.494 19.000 0.086 0.000 1.306 121 A HN 0.153 nan 8.150 nan 0.000 0.441 122 D N -0.987 119.440 120.400 0.044 0.000 2.423 122 D HA 0.259 4.900 4.640 0.001 0.000 0.212 122 D C 0.577 176.910 176.300 0.054 0.000 1.060 122 D CA 1.224 55.250 54.000 0.043 0.000 0.872 122 D CB 0.343 41.163 40.800 0.033 0.000 1.012 122 D HN 0.780 nan 8.370 nan 0.000 0.503 123 T N -1.536 113.049 114.554 0.051 0.000 2.933 123 T HA 0.634 4.984 4.350 0.001 0.000 0.305 123 T C -0.653 174.078 174.700 0.052 0.000 1.092 123 T CA -0.999 61.138 62.100 0.062 0.000 1.008 123 T CB 2.162 71.063 68.868 0.055 0.000 1.102 123 T HN -0.048 nan 8.240 nan 0.000 0.469 124 V N 2.370 122.344 119.914 0.100 0.000 2.398 124 V HA 0.610 4.731 4.120 0.001 0.000 0.286 124 V C -0.751 175.416 176.094 0.121 0.000 1.026 124 V CA -0.981 61.382 62.300 0.106 0.000 0.868 124 V CB 1.046 33.034 31.823 0.274 0.000 0.982 124 V HN 0.742 nan 8.190 nan 0.000 0.443 125 L N 5.060 126.253 121.223 -0.050 0.000 2.296 125 L HA 0.636 4.977 4.340 0.001 0.000 0.286 125 L C -0.658 176.130 176.870 -0.136 0.000 1.023 125 L CA -0.242 54.586 54.840 -0.020 0.000 0.812 125 L CB 0.998 42.938 42.059 -0.197 0.000 1.223 125 L HN 0.515 nan 8.230 nan 0.000 0.421 126 F N 0.966 120.878 119.950 -0.062 0.000 2.507 126 F HA 0.690 5.218 4.527 0.001 0.000 0.325 126 F C 0.646 176.415 175.800 -0.051 0.000 1.116 126 F CA -0.616 57.272 58.000 -0.188 0.000 0.930 126 F CB 2.474 41.196 39.000 -0.464 0.000 1.146 126 F HN 0.441 nan 8.300 nan 0.000 0.447 127 G N 4.359 113.209 108.800 0.083 0.000 3.712 127 G HA2 0.517 4.477 3.960 0.001 0.000 0.327 127 G HA3 0.517 4.477 3.960 0.001 0.000 0.327 127 G C -3.258 171.742 174.900 0.167 0.000 1.566 127 G CA -1.454 43.744 45.100 0.163 0.000 0.953 127 G HN 0.216 nan 8.290 nan 0.000 0.488 128 P HA 0.318 nan 4.420 nan 0.000 0.278 128 P C -0.349 177.012 177.300 0.102 0.000 1.238 128 P CA -0.268 62.913 63.100 0.135 0.000 0.794 128 P CB 1.523 33.338 31.700 0.192 0.000 0.955 129 E N 2.578 122.835 120.200 0.095 0.000 2.969 129 E HA 0.216 4.567 4.350 0.001 0.000 0.213 129 E C -2.190 174.405 176.600 -0.008 0.000 1.107 129 E CA -1.861 54.578 56.400 0.064 0.000 1.007 129 E CB 0.471 30.236 29.700 0.108 0.000 1.326 129 E HN 0.415 nan 8.360 nan 0.000 0.432 130 P HA 0.098 nan 4.420 nan 0.000 0.282 130 P C -0.464 176.959 177.300 0.206 0.000 1.262 130 P CA -0.062 63.053 63.100 0.026 0.000 0.773 130 P CB 1.278 32.894 31.700 -0.141 0.000 0.879 131 E N 2.425 122.728 120.200 0.171 0.000 2.227 131 E HA 0.636 4.987 4.350 0.001 0.000 0.268 131 E C -0.371 176.306 176.600 0.128 0.000 0.990 131 E CA -0.542 55.883 56.400 0.043 0.000 0.856 131 E CB 0.957 30.575 29.700 -0.137 0.000 1.159 131 E HN 0.473 nan 8.360 nan 0.000 0.401 132 F N -1.234 118.542 119.950 -0.291 0.000 2.789 132 F HA 0.651 5.179 4.527 0.001 0.000 0.319 132 F C -1.614 173.811 175.800 -0.624 0.000 1.168 132 F CA -1.273 56.425 58.000 -0.503 0.000 0.934 132 F CB 0.953 39.388 39.000 -0.941 0.000 1.375 132 F HN 0.258 nan 8.300 nan 0.000 0.480 133 F N 1.447 121.224 119.950 -0.288 0.000 2.532 133 F HA 0.704 5.232 4.527 0.001 0.000 0.321 133 F C -0.823 174.657 175.800 -0.532 0.000 1.089 133 F CA -0.845 56.855 58.000 -0.499 0.000 0.926 133 F CB 2.249 40.808 39.000 -0.735 0.000 1.168 133 F HN 0.334 nan 8.300 nan 0.000 0.459 134 L N 4.321 125.376 121.223 -0.279 0.000 2.319 134 L HA 0.506 4.847 4.340 0.001 0.000 0.281 134 L C -0.972 175.863 176.870 -0.059 0.000 1.005 134 L CA -0.316 54.423 54.840 -0.168 0.000 0.828 134 L CB 0.993 43.020 42.059 -0.052 0.000 1.227 134 L HN 0.562 nan 8.230 nan 0.000 0.415 135 F N 1.088 121.126 119.950 0.148 0.000 2.572 135 F HA 0.377 4.905 4.527 0.001 0.000 0.342 135 F C 0.859 176.731 175.800 0.119 0.000 1.064 135 F CA -0.880 57.209 58.000 0.147 0.000 1.008 135 F CB 1.807 40.899 39.000 0.153 0.000 1.303 135 F HN 0.403 nan 8.300 nan 0.000 0.492 136 D N -0.593 120.017 120.400 0.351 0.000 2.379 136 D HA 0.057 4.698 4.640 0.001 0.000 0.218 136 D C -0.684 175.722 176.300 0.177 0.000 1.006 136 D CA 0.994 55.123 54.000 0.215 0.000 0.893 136 D CB 0.435 41.345 40.800 0.184 0.000 1.019 136 D HN 0.447 nan 8.370 nan 0.000 0.503 137 D N -0.408 120.100 120.400 0.181 0.000 2.977 137 D HA 0.383 5.024 4.640 0.001 0.000 0.220 137 D C -1.813 174.542 176.300 0.092 0.000 1.267 137 D CA -0.619 53.451 54.000 0.117 0.000 0.884 137 D CB 1.877 42.726 40.800 0.082 0.000 1.667 137 D HN -0.186 nan 8.370 nan 0.000 0.536 138 I N 2.650 123.277 120.570 0.096 0.000 2.512 138 I HA 0.565 4.736 4.170 0.001 0.000 0.287 138 I C -1.587 174.552 176.117 0.037 0.000 1.069 138 I CA -0.169 61.191 61.300 0.100 0.000 1.056 138 I CB 1.328 39.475 38.000 0.244 0.000 1.229 138 I HN 0.438 nan 8.210 nan 0.000 0.429 139 R N 6.727 127.240 120.500 0.022 0.000 2.686 139 R HA 0.851 5.192 4.340 0.001 0.000 0.283 139 R C -1.614 174.651 176.300 -0.057 0.000 0.978 139 R CA -0.550 55.496 56.100 -0.090 0.000 0.897 139 R CB 2.008 32.311 30.300 0.006 0.000 1.192 139 R HN 0.574 nan 8.270 nan 0.000 0.457 140 F N -1.365 118.463 119.950 -0.204 0.000 2.741 140 F HA 0.871 5.399 4.527 0.001 0.000 0.311 140 F C -0.706 174.790 175.800 -0.507 0.000 1.149 140 F CA -1.069 56.617 58.000 -0.523 0.000 0.930 140 F CB 1.370 40.199 39.000 -0.286 0.000 1.312 140 F HN 0.660 nan 8.300 nan 0.000 0.450 141 G N -0.180 108.441 108.800 -0.298 0.000 2.387 141 G HA2 0.784 4.745 3.960 0.001 0.000 0.294 141 G HA3 0.784 4.745 3.960 0.001 0.000 0.294 141 G C -2.490 172.407 174.900 -0.005 0.000 1.509 141 G CA -0.321 44.748 45.100 -0.052 0.000 0.806 141 G HN 1.839 nan 8.290 nan 0.000 0.546 142 A N -0.188 122.663 122.820 0.051 0.000 2.465 142 A HA 0.974 5.295 4.320 0.001 0.000 0.292 142 A C -0.163 177.448 177.584 0.046 0.000 1.041 142 A CA 0.382 52.445 52.037 0.045 0.000 0.718 142 A CB 1.387 20.404 19.000 0.027 0.000 1.266 142 A HN 2.359 nan 8.150 nan 0.000 0.403 143 S N 1.628 117.355 115.700 0.044 0.000 2.720 143 S HA 0.592 5.063 4.470 0.001 0.000 0.287 143 S C 0.902 175.522 174.600 0.034 0.000 1.168 143 S CA -0.020 58.202 58.200 0.035 0.000 0.832 143 S CB 0.617 63.836 63.200 0.031 0.000 1.166 143 S HN 1.356 nan 8.310 nan 0.000 0.493 144 I N 1.552 122.140 120.570 0.030 0.000 2.264 144 I HA -0.177 3.994 4.170 0.001 0.000 0.248 144 I C 2.024 178.162 176.117 0.035 0.000 1.111 144 I CA 2.160 63.481 61.300 0.035 0.000 1.382 144 I CB -0.263 37.755 38.000 0.030 0.000 1.060 144 I HN 0.845 nan 8.210 nan 0.000 0.418 145 S N -0.376 115.335 115.700 0.019 0.000 2.603 145 S HA 0.400 4.870 4.470 0.001 0.000 0.220 145 S C 0.694 175.277 174.600 -0.028 0.000 0.967 145 S CA 0.129 58.330 58.200 0.001 0.000 0.920 145 S CB 0.209 63.403 63.200 -0.011 0.000 0.773 145 S HN 0.687 nan 8.310 nan 0.000 0.529 146 G N -0.006 108.787 108.800 -0.013 0.000 2.327 146 G HA2 0.456 4.416 3.960 0.001 0.000 0.291 146 G HA3 0.456 4.416 3.960 0.001 0.000 0.291 146 G C -1.521 173.385 174.900 0.010 0.000 1.290 146 G CA -0.286 44.787 45.100 -0.045 0.000 0.857 146 G HN 0.843 nan 8.290 nan 0.000 0.520 147 S N -0.435 115.270 115.700 0.009 0.000 2.596 147 S HA 0.917 5.388 4.470 0.001 0.000 0.270 147 S C -1.083 173.578 174.600 0.101 0.000 1.155 147 S CA -0.430 57.797 58.200 0.044 0.000 0.827 147 S CB 2.274 65.467 63.200 -0.013 0.000 1.130 147 S HN 2.116 nan 8.310 nan 0.000 0.467 148 H N -1.654 117.394 119.070 -0.038 0.000 3.005 148 H HA 0.741 5.297 4.556 0.001 0.000 0.311 148 H C -2.304 173.031 175.328 0.010 0.000 1.366 148 H CA -0.782 55.239 56.048 -0.046 0.000 1.210 148 H CB 0.878 30.605 29.762 -0.059 0.000 1.894 148 H HN 0.958 nan 8.280 nan 0.000 0.520 149 V N 1.075 120.964 119.914 -0.042 0.000 2.777 149 V HA 0.778 4.899 4.120 0.001 0.000 0.306 149 V C -1.393 174.700 176.094 -0.002 0.000 1.112 149 V CA 0.230 62.506 62.300 -0.040 0.000 0.917 149 V CB 1.222 33.006 31.823 -0.065 0.000 1.018 149 V HN 1.308 nan 8.190 nan 0.000 0.426 150 A N 7.648 130.476 122.820 0.014 0.000 2.357 150 A HA 0.854 5.174 4.320 0.001 0.000 0.295 150 A C -0.968 176.545 177.584 -0.118 0.000 1.121 150 A CA -0.471 51.528 52.037 -0.064 0.000 0.742 150 A CB 0.970 19.965 19.000 -0.009 0.000 1.181 150 A HN 0.846 nan 8.150 nan 0.000 0.454 151 I N 1.612 122.029 120.570 -0.254 0.000 2.437 151 I HA 0.499 4.669 4.170 0.001 0.000 0.298 151 I C -0.698 175.304 176.117 -0.190 0.000 0.984 151 I CA -0.288 60.794 61.300 -0.362 0.000 1.214 151 I CB 1.994 39.627 38.000 -0.613 0.000 1.365 151 I HN 0.618 nan 8.210 nan 0.000 0.469 152 D N 3.652 124.012 120.400 -0.066 0.000 2.927 152 D HA 0.444 5.085 4.640 0.001 0.000 0.219 152 D C -1.804 174.640 176.300 0.240 0.000 1.248 152 D CA -0.269 53.883 54.000 0.254 0.000 0.861 152 D CB 2.108 43.030 40.800 0.204 0.000 1.677 152 D HN 0.524 nan 8.370 nan 0.000 0.511 153 D N 2.111 122.684 120.400 0.289 0.000 2.655 153 D HA 0.218 4.858 4.640 0.001 0.000 0.229 153 D C 0.477 176.827 176.300 0.084 0.000 1.229 153 D CA -0.629 53.502 54.000 0.217 0.000 0.807 153 D CB 1.532 42.530 40.800 0.331 0.000 1.514 153 D HN 0.229 nan 8.370 nan 0.000 0.444 154 I N 1.836 122.469 120.570 0.104 0.000 2.423 154 I HA -0.130 4.040 4.170 0.001 0.000 0.254 154 I C 1.378 177.467 176.117 -0.048 0.000 1.151 154 I CA 1.755 63.082 61.300 0.045 0.000 1.421 154 I CB 0.016 38.033 38.000 0.028 0.000 1.079 154 I HN 0.507 nan 8.210 nan 0.000 0.431 155 E N 0.142 120.319 120.200 -0.039 0.000 2.385 155 E HA 0.108 4.459 4.350 0.001 0.000 0.194 155 E C 1.218 177.668 176.600 -0.250 0.000 1.013 155 E CA 0.339 56.696 56.400 -0.071 0.000 0.866 155 E CB -0.194 29.540 29.700 0.057 0.000 0.832 155 E HN 0.552 nan 8.360 nan 0.000 0.500 156 G N 1.091 109.575 108.800 -0.527 0.000 2.202 156 G HA2 0.060 4.020 3.960 0.001 0.000 0.251 156 G HA3 0.060 4.020 3.960 0.001 0.000 0.251 156 G C 0.976 175.256 174.900 -1.033 0.000 1.219 156 G CA 0.397 44.684 45.100 -1.355 0.000 0.943 156 G HN 0.187 nan 8.290 nan 0.000 0.465 157 A N 3.056 125.514 122.820 -0.604 0.000 2.024 157 A HA -0.133 4.188 4.320 0.001 0.000 0.220 157 A C 1.943 179.466 177.584 -0.101 0.000 1.164 157 A CA 1.804 53.712 52.037 -0.215 0.000 0.643 157 A CB -0.592 18.392 19.000 -0.027 0.000 0.806 157 A HN 1.148 nan 8.150 nan 0.000 0.451 158 W N -0.321 121.008 121.300 0.050 0.000 2.525 158 W HA 0.038 4.699 4.660 0.001 0.000 0.259 158 W C 0.894 177.441 176.519 0.047 0.000 1.253 158 W CA 0.659 58.026 57.345 0.037 0.000 1.262 158 W CB -0.608 28.865 29.460 0.022 0.000 1.122 158 W HN 0.170 nan 8.180 nan 0.000 0.607 159 N N 0.978 119.596 118.700 -0.136 0.000 2.398 159 N HA -0.080 4.660 4.740 0.001 0.000 0.188 159 N C 1.698 177.256 175.510 0.079 0.000 1.122 159 N CA 1.172 54.240 53.050 0.030 0.000 0.866 159 N CB -0.176 38.320 38.487 0.015 0.000 0.970 159 N HN 0.401 nan 8.380 nan 0.000 0.462 160 S N -0.218 115.499 115.700 0.029 0.000 2.440 160 S HA -0.119 4.352 4.470 0.001 0.000 0.238 160 S C 1.841 176.474 174.600 0.054 0.000 1.010 160 S CA 1.322 59.538 58.200 0.026 0.000 0.972 160 S CB -0.249 62.958 63.200 0.012 0.000 0.774 160 S HN 0.325 nan 8.310 nan 0.000 0.501 161 S N -0.265 115.480 115.700 0.076 0.000 2.524 161 S HA 0.197 4.668 4.470 0.001 0.000 0.215 161 S C 0.549 175.187 174.600 0.064 0.000 0.986 161 S CA -0.364 57.875 58.200 0.065 0.000 0.911 161 S CB -0.461 62.776 63.200 0.062 0.000 0.805 161 S HN 0.354 nan 8.310 nan 0.000 0.501 162 T N 3.732 118.337 114.554 0.084 0.000 2.916 162 T HA 0.194 4.545 4.350 0.001 0.000 0.303 162 T C -0.121 174.572 174.700 -0.013 0.000 1.025 162 T CA 0.103 62.200 62.100 -0.006 0.000 1.142 162 T CB 0.509 69.317 68.868 -0.100 0.000 0.947 162 T HN 0.277 nan 8.240 nan 0.000 0.544 163 K N 2.716 123.055 120.400 -0.101 0.000 2.258 163 K HA 0.324 4.645 4.320 0.001 0.000 0.284 163 K C -0.917 175.587 176.600 -0.161 0.000 1.051 163 K CA -0.247 56.015 56.287 -0.043 0.000 0.923 163 K CB 0.722 33.201 32.500 -0.035 0.000 1.046 163 K HN 0.550 nan 8.250 nan 0.000 0.474 164 Y N 0.474 120.777 120.300 0.005 0.000 2.549 164 Y HA 0.030 4.581 4.550 0.001 0.000 0.339 164 Y C 1.532 177.435 175.900 0.005 0.000 1.053 164 Y CA -0.541 57.563 58.100 0.007 0.000 1.105 164 Y CB 1.549 40.011 38.460 0.004 0.000 1.258 164 Y HN 0.660 nan 8.280 nan 0.000 0.478 165 E N -0.193 120.107 120.200 0.167 0.000 2.427 165 E HA 0.019 4.370 4.350 0.001 0.000 0.196 165 E C 0.941 177.591 176.600 0.083 0.000 1.028 165 E CA 0.925 57.379 56.400 0.091 0.000 0.864 165 E CB 0.023 29.758 29.700 0.058 0.000 0.813 165 E HN 0.834 nan 8.360 nan 0.000 0.514 166 G N 0.564 109.423 108.800 0.099 0.000 3.651 166 G HA2 0.473 4.434 3.960 0.001 0.000 0.279 166 G HA3 0.473 4.434 3.960 0.001 0.000 0.279 166 G C 0.317 175.248 174.900 0.050 0.000 1.024 166 G CA -0.088 45.046 45.100 0.056 0.000 0.813 166 G HN 0.532 nan 8.290 nan 0.000 0.518 167 G N 0.192 109.043 108.800 0.086 0.000 2.788 167 G HA2 -0.141 3.820 3.960 0.001 0.000 0.686 167 G HA3 -0.141 3.820 3.960 0.001 0.000 0.686 167 G C -0.832 174.100 174.900 0.055 0.000 1.147 167 G CA -0.690 44.451 45.100 0.068 0.000 0.755 167 G HN 0.434 nan 8.290 nan 0.000 0.634 168 N N 0.870 119.614 118.700 0.073 0.000 2.430 168 N HA 0.262 5.003 4.740 0.001 0.000 0.265 168 N C 1.344 176.799 175.510 -0.091 0.000 1.100 168 N CA -0.544 52.508 53.050 0.002 0.000 0.961 168 N CB 1.016 39.587 38.487 0.140 0.000 1.075 168 N HN 0.459 nan 8.380 nan 0.000 0.478 169 K N 2.519 122.813 120.400 -0.176 0.000 2.305 169 K HA 0.092 4.413 4.320 0.001 0.000 0.199 169 K C 1.072 177.540 176.600 -0.220 0.000 1.047 169 K CA 0.723 56.924 56.287 -0.143 0.000 0.976 169 K CB -0.334 32.104 32.500 -0.103 0.000 0.765 169 K HN 0.824 nan 8.250 nan 0.000 0.474 170 G N 2.002 110.672 108.800 -0.218 0.000 2.168 170 G HA2 -0.239 3.722 3.960 0.001 0.000 0.263 170 G HA3 -0.239 3.722 3.960 0.001 0.000 0.263 170 G C -0.178 174.526 174.900 -0.327 0.000 0.977 170 G CA 0.293 45.241 45.100 -0.253 0.000 0.659 170 G HN 0.416 nan 8.290 nan 0.000 0.533 171 H N 0.964 119.999 119.070 -0.058 0.000 2.818 171 H HA 0.420 4.977 4.556 0.001 0.000 0.269 171 H C 1.011 176.306 175.328 -0.056 0.000 1.277 171 H CA 0.284 56.303 56.048 -0.048 0.000 1.290 171 H CB 0.196 29.934 29.762 -0.040 0.000 1.479 171 H HN 0.753 nan 8.280 nan 0.000 0.507 172 R N 2.004 122.519 120.500 0.025 0.000 2.771 172 R HA 0.509 4.850 4.340 0.001 0.000 0.274 172 R C -3.111 173.175 176.300 -0.023 0.000 0.987 172 R CA -2.145 53.945 56.100 -0.017 0.000 0.908 172 R CB 1.432 31.691 30.300 -0.069 0.000 1.213 172 R HN 0.169 nan 8.270 nan 0.000 0.468 173 P HA 0.070 nan 4.420 nan 0.000 0.271 173 P C -0.056 177.229 177.300 -0.024 0.000 1.226 173 P CA 0.085 63.156 63.100 -0.047 0.000 0.765 173 P CB 1.131 32.770 31.700 -0.101 0.000 0.835 174 G N 2.482 111.279 108.800 -0.006 0.000 2.653 174 G HA2 0.252 4.213 3.960 0.001 0.000 0.265 174 G HA3 0.252 4.213 3.960 0.001 0.000 0.265 174 G C -0.252 174.666 174.900 0.030 0.000 1.237 174 G CA -0.664 44.442 45.100 0.010 0.000 0.946 174 G HN 0.387 nan 8.290 nan 0.000 0.522 175 V N 1.039 120.981 119.914 0.047 0.000 2.557 175 V HA 0.058 4.179 4.120 0.001 0.000 0.301 175 V C 1.127 177.240 176.094 0.033 0.000 1.026 175 V CA 0.792 63.128 62.300 0.060 0.000 1.137 175 V CB 0.562 32.421 31.823 0.060 0.000 0.917 175 V HN 0.967 nan 8.190 nan 0.000 0.484 176 K N 2.685 123.107 120.400 0.036 0.000 3.274 176 K HA -0.199 4.122 4.320 0.001 0.000 0.300 176 K C 1.125 177.725 176.600 -0.000 0.000 1.230 176 K CA 0.852 57.140 56.287 0.001 0.000 0.884 176 K CB -1.332 31.151 32.500 -0.029 0.000 1.242 176 K HN 1.024 nan 8.250 nan 0.000 0.467 177 G N -0.478 108.334 108.800 0.020 0.000 3.519 177 G HA2 0.272 4.232 3.960 0.001 0.000 0.269 177 G HA3 0.272 4.232 3.960 0.001 0.000 0.269 177 G C 0.827 175.736 174.900 0.015 0.000 1.028 177 G CA 0.306 45.417 45.100 0.019 0.000 0.809 177 G HN 0.265 nan 8.290 nan 0.000 0.521 178 G N -0.098 108.713 108.800 0.019 0.000 3.262 178 G HA2 0.118 4.079 3.960 0.001 0.000 0.228 178 G HA3 0.118 4.079 3.960 0.001 0.000 0.228 178 G C -0.288 174.629 174.900 0.029 0.000 1.197 178 G CA -0.314 44.705 45.100 -0.136 0.000 0.819 178 G HN 0.238 nan 8.290 nan 0.000 0.531 179 Y N 0.854 121.108 120.300 -0.076 0.000 2.425 179 Y HA 0.408 4.959 4.550 0.001 0.000 0.347 179 Y C 0.467 176.398 175.900 0.052 0.000 0.976 179 Y CA -1.949 56.110 58.100 -0.068 0.000 1.190 179 Y CB -0.019 38.283 38.460 -0.262 0.000 1.136 179 Y HN 0.237 nan 8.280 nan 0.000 0.517 180 F N 2.068 121.916 119.950 -0.171 0.000 2.935 180 F HA -0.270 4.257 4.527 0.001 0.000 0.317 180 F C -1.578 174.150 175.800 -0.120 0.000 0.699 180 F CA -0.244 57.633 58.000 -0.205 0.000 1.127 180 F CB -2.620 36.184 39.000 -0.327 0.000 1.491 180 F HN 0.400 nan 8.300 nan 0.000 0.337 181 P HA 0.230 nan 4.420 nan 0.000 0.265 181 P C 0.184 177.475 177.300 -0.014 0.000 1.187 181 P CA 0.212 63.316 63.100 0.007 0.000 0.766 181 P CB 0.680 32.365 31.700 -0.025 0.000 0.820 182 V N 1.983 121.879 119.914 -0.029 0.000 3.133 182 V HA 0.365 4.486 4.120 0.001 0.000 0.305 182 V C -2.251 173.819 176.094 -0.041 0.000 1.084 182 V CA -2.118 60.158 62.300 -0.041 0.000 1.089 182 V CB -0.568 31.225 31.823 -0.049 0.000 1.073 182 V HN 0.391 nan 8.190 nan 0.000 0.477 183 P HA 0.188 nan 4.420 nan 0.000 0.269 183 P C -1.890 175.372 177.300 -0.063 0.000 1.217 183 P CA -0.858 62.226 63.100 -0.026 0.000 0.783 183 P CB -0.112 31.584 31.700 -0.007 0.000 0.898 184 P HA -0.020 nan 4.420 nan 0.000 0.245 184 P C 0.980 178.285 177.300 0.008 0.000 1.212 184 P CA 0.530 63.616 63.100 -0.023 0.000 0.774 184 P CB 0.090 31.786 31.700 -0.007 0.000 0.999 185 V N 0.797 120.702 119.914 -0.015 0.000 2.343 185 V HA -0.147 3.974 4.120 0.001 0.000 0.247 185 V C 1.200 177.284 176.094 -0.016 0.000 1.051 185 V CA 1.847 64.147 62.300 0.001 0.000 1.036 185 V CB -1.084 30.724 31.823 -0.024 0.000 0.654 185 V HN 0.211 nan 8.190 nan 0.000 0.451 186 D N -0.119 120.273 120.400 -0.013 0.000 2.347 186 D HA 0.118 4.759 4.640 0.001 0.000 0.235 186 D C 1.019 177.363 176.300 0.074 0.000 1.149 186 D CA 0.500 54.526 54.000 0.044 0.000 0.850 186 D CB 1.302 42.137 40.800 0.059 0.000 1.061 186 D HN 0.276 nan 8.370 nan 0.000 0.487 187 S N 2.228 117.989 115.700 0.101 0.000 2.575 187 S HA 0.223 4.694 4.470 0.001 0.000 0.215 187 S C 1.118 175.758 174.600 0.066 0.000 0.966 187 S CA -0.012 58.231 58.200 0.072 0.000 0.911 187 S CB 0.354 63.593 63.200 0.064 0.000 0.780 187 S HN 0.391 nan 8.310 nan 0.000 0.514 188 A N 0.602 123.462 122.820 0.067 0.000 2.574 188 A HA 0.463 4.784 4.320 0.001 0.000 0.283 188 A C 1.627 179.186 177.584 -0.042 0.000 1.270 188 A CA -0.156 51.877 52.037 -0.005 0.000 0.945 188 A CB -0.066 18.897 19.000 -0.062 0.000 1.127 188 A HN 0.394 nan 8.150 nan 0.000 0.522 189 Q N 1.039 120.849 119.800 0.018 0.000 1.993 189 Q HA -0.188 4.153 4.340 0.001 0.000 0.202 189 Q C 1.154 177.143 176.000 -0.017 0.000 0.984 189 Q CA 2.471 58.295 55.803 0.036 0.000 0.837 189 Q CB -0.166 28.618 28.738 0.077 0.000 0.902 189 Q HN 0.593 nan 8.270 nan 0.000 0.423 190 D N -0.171 120.245 120.400 0.026 0.000 2.123 190 D HA -0.158 4.483 4.640 0.001 0.000 0.196 190 D C 1.958 178.233 176.300 -0.041 0.000 0.992 190 D CA 1.569 55.606 54.000 0.062 0.000 0.833 190 D CB -0.169 40.732 40.800 0.168 0.000 0.954 190 D HN 0.419 nan 8.370 nan 0.000 0.455 191 I N 0.785 121.243 120.570 -0.187 0.000 2.179 191 I HA -0.238 3.932 4.170 0.001 0.000 0.242 191 I C 2.622 178.466 176.117 -0.454 0.000 1.088 191 I CA 1.031 61.984 61.300 -0.579 0.000 1.357 191 I CB -0.325 37.362 38.000 -0.521 0.000 1.051 191 I HN -0.114 nan 8.210 nan 0.000 0.409 192 R N 0.702 120.961 120.500 -0.402 0.000 2.073 192 R HA -0.115 4.226 4.340 0.001 0.000 0.234 192 R C 2.576 178.563 176.300 -0.521 0.000 1.134 192 R CA 1.777 57.553 56.100 -0.539 0.000 0.952 192 R CB -0.490 29.283 30.300 -0.879 0.000 0.850 192 R HN 0.275 nan 8.270 nan 0.000 0.433 193 S N 0.713 116.161 115.700 -0.420 0.000 2.382 193 S HA -0.128 4.342 4.470 0.001 0.000 0.228 193 S C 1.722 176.286 174.600 -0.060 0.000 1.027 193 S CA 0.988 59.129 58.200 -0.098 0.000 0.991 193 S CB -0.111 63.132 63.200 0.072 0.000 0.823 193 S HN 0.268 nan 8.310 nan 0.000 0.469 194 E N 1.195 121.344 120.200 -0.085 0.000 2.077 194 E HA -0.078 4.273 4.350 0.001 0.000 0.193 194 E C 2.002 178.560 176.600 -0.070 0.000 0.989 194 E CA 0.994 57.377 56.400 -0.028 0.000 0.800 194 E CB -0.291 29.418 29.700 0.014 0.000 0.746 194 E HN 0.548 nan 8.360 nan 0.000 0.452 195 M N -0.359 119.145 119.600 -0.160 0.000 2.149 195 M HA -0.213 4.268 4.480 0.001 0.000 0.261 195 M C 2.621 178.854 176.300 -0.112 0.000 1.064 195 M CA 1.178 56.380 55.300 -0.164 0.000 1.102 195 M CB -0.384 32.065 32.600 -0.253 0.000 1.369 195 M HN 0.165 nan 8.290 nan 0.000 0.408 196 C N 0.350 119.603 119.300 -0.078 0.000 2.453 196 C HA -0.096 4.365 4.460 0.001 0.000 0.277 196 C C 2.669 177.658 174.990 -0.002 0.000 1.262 196 C CA 0.565 59.577 59.018 -0.010 0.000 1.718 196 C CB -1.081 26.698 27.740 0.066 0.000 2.031 196 C HN 0.529 nan 8.230 nan 0.000 0.480 197 L N 0.611 121.833 121.223 -0.001 0.000 2.012 197 L HA -0.154 4.187 4.340 0.001 0.000 0.210 197 L C 2.564 179.423 176.870 -0.018 0.000 1.073 197 L CA 1.354 56.194 54.840 0.000 0.000 0.748 197 L CB -0.918 41.146 42.059 0.008 0.000 0.891 197 L HN 0.221 nan 8.230 nan 0.000 0.431 198 V N -0.559 119.334 119.914 -0.034 0.000 2.358 198 V HA -0.289 3.832 4.120 0.001 0.000 0.246 198 V C 2.513 178.579 176.094 -0.048 0.000 1.047 198 V CA 1.749 64.011 62.300 -0.064 0.000 1.035 198 V CB -0.433 31.345 31.823 -0.075 0.000 0.658 198 V HN 0.377 nan 8.190 nan 0.000 0.452 199 M N -0.478 119.102 119.600 -0.033 0.000 2.108 199 M HA -0.234 4.247 4.480 0.001 0.000 0.261 199 M C 2.270 178.573 176.300 0.005 0.000 1.066 199 M CA 1.966 57.260 55.300 -0.010 0.000 1.107 199 M CB -0.525 32.067 32.600 -0.013 0.000 1.356 199 M HN 0.395 nan 8.290 nan 0.000 0.406 200 E N -0.020 120.181 120.200 0.002 0.000 2.106 200 E HA -0.216 4.135 4.350 0.001 0.000 0.192 200 E C 1.914 178.512 176.600 -0.004 0.000 0.984 200 E CA 1.016 57.419 56.400 0.005 0.000 0.806 200 E CB -0.162 29.543 29.700 0.008 0.000 0.750 200 E HN 0.621 nan 8.360 nan 0.000 0.458 201 Q N -0.334 119.455 119.800 -0.018 0.000 2.437 201 Q HA -0.021 4.320 4.340 0.001 0.000 0.210 201 Q C 1.396 177.378 176.000 -0.030 0.000 0.972 201 Q CA 0.730 56.517 55.803 -0.027 0.000 0.903 201 Q CB 0.092 28.798 28.738 -0.053 0.000 0.967 201 Q HN 0.287 nan 8.270 nan 0.000 0.486 202 M N -1.305 118.282 119.600 -0.022 0.000 2.475 202 M HA 0.212 4.693 4.480 0.001 0.000 0.283 202 M C 0.542 176.848 176.300 0.010 0.000 1.165 202 M CA 0.278 55.571 55.300 -0.012 0.000 0.976 202 M CB 1.132 33.729 32.600 -0.005 0.000 1.428 202 M HN 0.360 nan 8.290 nan 0.000 0.495 203 G N 0.679 109.486 108.800 0.010 0.000 2.194 203 G HA2 -0.208 3.753 3.960 0.001 0.000 0.236 203 G HA3 -0.208 3.753 3.960 0.001 0.000 0.236 203 G C -0.157 174.750 174.900 0.012 0.000 0.987 203 G CA -0.441 44.667 45.100 0.014 0.000 0.635 203 G HN 0.301 nan 8.290 nan 0.000 0.520 204 L N 0.572 121.808 121.223 0.023 0.000 2.456 204 L HA 0.692 5.033 4.340 0.001 0.000 0.257 204 L C 0.659 177.538 176.870 0.015 0.000 1.162 204 L CA -0.565 54.292 54.840 0.030 0.000 0.808 204 L CB 1.681 43.783 42.059 0.071 0.000 1.136 204 L HN -0.007 nan 8.230 nan 0.000 0.466 205 V N 2.207 122.125 119.914 0.006 0.000 2.407 205 V HA 0.370 4.490 4.120 0.001 0.000 0.291 205 V C -0.362 175.747 176.094 0.025 0.000 1.018 205 V CA -0.780 61.518 62.300 -0.003 0.000 0.842 205 V CB 1.828 33.623 31.823 -0.045 0.000 0.996 205 V HN 0.403 nan 8.190 nan 0.000 0.426 206 V N 4.524 124.463 119.914 0.041 0.000 2.498 206 V HA 0.275 4.395 4.120 0.001 0.000 0.279 206 V C 0.908 177.036 176.094 0.057 0.000 1.048 206 V CA 0.048 62.390 62.300 0.069 0.000 0.967 206 V CB 1.536 33.406 31.823 0.078 0.000 0.988 206 V HN 0.992 nan 8.190 nan 0.000 0.473 207 E N 2.477 122.722 120.200 0.075 0.000 2.290 207 E HA 0.513 4.864 4.350 0.001 0.000 0.197 207 E C 0.381 177.017 176.600 0.060 0.000 0.948 207 E CA 0.756 57.193 56.400 0.061 0.000 0.895 207 E CB 0.886 30.627 29.700 0.069 0.000 0.865 207 E HN 0.878 nan 8.360 nan 0.000 0.486 208 A N 0.127 123.005 122.820 0.095 0.000 2.567 208 A HA 0.516 4.837 4.320 0.001 0.000 0.291 208 A C -1.875 175.812 177.584 0.170 0.000 1.048 208 A CA -0.796 51.292 52.037 0.085 0.000 0.661 208 A CB 0.822 19.884 19.000 0.103 0.000 1.288 208 A HN 0.302 nan 8.150 nan 0.000 0.424 209 H N -0.457 118.663 119.070 0.084 0.000 2.974 209 H HA 0.888 5.444 4.556 0.001 0.000 0.366 209 H C -0.953 174.399 175.328 0.040 0.000 1.155 209 H CA -0.189 55.870 56.048 0.019 0.000 1.186 209 H CB 0.986 30.736 29.762 -0.020 0.000 1.799 209 H HN 1.457 nan 8.280 nan 0.000 0.541 210 H N -0.791 118.408 119.070 0.215 0.000 2.987 210 H HA 0.336 4.893 4.556 0.001 0.000 0.316 210 H C -1.458 173.962 175.328 0.153 0.000 1.380 210 H CA -1.067 55.041 56.048 0.100 0.000 1.160 210 H CB 0.553 30.281 29.762 -0.057 0.000 1.865 210 H HN 0.902 nan 8.280 nan 0.000 0.521 211 H N 0.280 119.490 119.070 0.233 0.000 2.615 211 H HA 0.276 4.832 4.556 0.001 0.000 0.363 211 H C -0.032 175.587 175.328 0.484 0.000 1.148 211 H CA -0.105 56.053 56.048 0.184 0.000 1.401 211 H CB 0.863 30.737 29.762 0.187 0.000 1.461 211 H HN 0.577 nan 8.280 nan 0.000 0.588 212 E N 1.964 122.375 120.200 0.351 0.000 2.601 212 E HA 0.079 4.430 4.350 0.001 0.000 0.250 212 E C 1.299 178.080 176.600 0.301 0.000 1.099 212 E CA -0.434 56.172 56.400 0.343 0.000 0.968 212 E CB 1.434 31.051 29.700 -0.138 0.000 1.290 212 E HN 0.498 nan 8.360 nan 0.000 0.505 213 V N 0.763 120.553 119.914 -0.207 0.000 2.343 213 V HA -0.155 3.966 4.120 0.001 0.000 0.247 213 V C 1.148 177.249 176.094 0.012 0.000 1.051 213 V CA 1.781 63.955 62.300 -0.209 0.000 1.036 213 V CB -0.702 30.905 31.823 -0.360 0.000 0.654 213 V HN 0.616 nan 8.190 nan 0.000 0.451 214 A N -0.073 122.774 122.820 0.046 0.000 2.425 214 A HA 0.366 4.687 4.320 0.001 0.000 0.242 214 A C 0.683 178.433 177.584 0.277 0.000 1.077 214 A CA 0.647 52.799 52.037 0.190 0.000 0.781 214 A CB 0.158 19.391 19.000 0.388 0.000 1.020 214 A HN 0.333 nan 8.150 nan 0.000 0.494 215 T N 0.046 114.756 114.554 0.261 0.000 2.729 215 T HA 0.422 4.773 4.350 0.001 0.000 0.298 215 T C 1.023 175.916 174.700 0.322 0.000 1.013 215 T CA 1.153 63.379 62.100 0.210 0.000 0.957 215 T CB 0.129 69.053 68.868 0.094 0.000 1.130 215 T HN 2.377 nan 8.240 nan 0.000 0.526 216 A N -0.448 122.477 122.820 0.174 0.000 2.822 216 A HA 0.100 4.420 4.320 0.001 0.000 0.287 216 A C 1.392 179.279 177.584 0.504 0.000 1.479 216 A CA 1.423 53.627 52.037 0.278 0.000 0.779 216 A CB -2.329 16.909 19.000 0.396 0.000 1.022 216 A HN 2.599 nan 8.150 nan 0.000 0.532 217 G N -1.988 107.005 108.800 0.322 0.000 2.171 217 G HA2 -0.150 3.810 3.960 0.001 0.000 0.238 217 G HA3 -0.150 3.810 3.960 0.001 0.000 0.238 217 G C -0.154 174.577 174.900 -0.281 0.000 1.039 217 G CA 0.899 46.042 45.100 0.073 0.000 0.759 217 G HN 1.693 nan 8.290 nan 0.000 0.501 218 Q N -0.309 119.219 119.800 -0.453 0.000 2.304 218 Q HA 0.525 4.865 4.340 0.001 0.000 0.260 218 Q C 0.335 175.736 176.000 -0.998 0.000 0.965 218 Q CA 0.093 55.250 55.803 -1.077 0.000 0.898 218 Q CB 0.331 28.406 28.738 -1.104 0.000 1.196 218 Q HN 0.595 nan 8.270 nan 0.000 0.402 219 N N 1.993 120.009 118.700 -1.141 0.000 2.647 219 N HA 0.451 5.192 4.740 0.001 0.000 0.266 219 N C -1.863 172.909 175.510 -1.231 0.000 1.373 219 N CA -0.782 51.613 53.050 -1.093 0.000 0.807 219 N CB 1.953 39.817 38.487 -1.038 0.000 1.513 219 N HN 0.509 nan 8.380 nan 0.000 0.505 220 E N 0.332 120.036 120.200 -0.826 0.000 2.335 220 E HA 0.453 4.804 4.350 0.001 0.000 0.280 220 E C -1.970 174.515 176.600 -0.192 0.000 0.918 220 E CA -0.560 55.544 56.400 -0.492 0.000 0.765 220 E CB 1.882 31.299 29.700 -0.471 0.000 1.218 220 E HN 0.229 nan 8.360 nan 0.000 0.425 221 V N 2.673 122.708 119.914 0.201 0.000 2.376 221 V HA 0.552 4.672 4.120 0.001 0.000 0.287 221 V C -0.223 176.084 176.094 0.355 0.000 1.015 221 V CA -0.572 61.880 62.300 0.253 0.000 0.834 221 V CB 1.223 33.167 31.823 0.202 0.000 1.001 221 V HN 0.746 nan 8.190 nan 0.000 0.428 222 A N 4.206 127.174 122.820 0.247 0.000 2.309 222 A HA 0.710 5.030 4.320 0.001 0.000 0.290 222 A C 0.558 178.259 177.584 0.196 0.000 1.206 222 A CA -0.164 52.005 52.037 0.220 0.000 0.850 222 A CB 0.227 19.350 19.000 0.205 0.000 1.118 222 A HN 0.877 nan 8.150 nan 0.000 0.523 223 T N 0.486 115.150 114.554 0.183 0.000 2.940 223 T HA 0.627 4.978 4.350 0.001 0.000 0.288 223 T C 0.109 174.860 174.700 0.085 0.000 1.033 223 T CA -0.866 61.318 62.100 0.140 0.000 1.033 223 T CB 1.141 70.113 68.868 0.174 0.000 1.079 223 T HN 0.751 nan 8.240 nan 0.000 0.496 224 R N 0.833 121.348 120.500 0.026 0.000 2.594 224 R HA 0.414 4.755 4.340 0.001 0.000 0.272 224 R C 0.311 176.554 176.300 -0.094 0.000 1.074 224 R CA -0.805 55.270 56.100 -0.043 0.000 1.105 224 R CB 0.138 30.337 30.300 -0.168 0.000 1.008 224 R HN 0.689 nan 8.270 nan 0.000 0.472 225 F N 1.834 121.785 119.950 0.003 0.000 2.579 225 F HA 0.307 4.834 4.527 0.001 0.000 0.311 225 F C 0.047 175.860 175.800 0.023 0.000 1.272 225 F CA -0.566 57.437 58.000 0.006 0.000 1.335 225 F CB 0.183 39.163 39.000 -0.034 0.000 1.191 225 F HN 0.521 nan 8.300 nan 0.000 0.575 226 N N -1.985 116.812 118.700 0.162 0.000 3.501 226 N HA 0.136 4.877 4.740 0.001 0.000 0.235 226 N C -1.575 174.072 175.510 0.228 0.000 1.442 226 N CA 0.042 53.134 53.050 0.069 0.000 0.872 226 N CB 1.156 39.633 38.487 -0.016 0.000 1.414 226 N HN 1.025 nan 8.380 nan 0.000 0.485 227 T N -0.740 113.914 114.554 0.168 0.000 2.932 227 T HA 0.102 4.453 4.350 0.001 0.000 0.312 227 T C 1.928 176.740 174.700 0.188 0.000 1.071 227 T CA 0.041 62.248 62.100 0.179 0.000 1.128 227 T CB 0.352 69.298 68.868 0.130 0.000 0.984 227 T HN 0.586 nan 8.240 nan 0.000 0.549 228 M N 1.782 121.514 119.600 0.220 0.000 2.226 228 M HA -0.231 4.250 4.480 0.001 0.000 0.257 228 M C 2.190 178.562 176.300 0.121 0.000 1.070 228 M CA 2.750 58.119 55.300 0.116 0.000 1.087 228 M CB -1.052 31.602 32.600 0.090 0.000 1.278 228 M HN 0.908 nan 8.290 nan 0.000 0.426 229 T N -0.124 114.519 114.554 0.147 0.000 2.746 229 T HA -0.194 4.157 4.350 0.001 0.000 0.267 229 T C 1.686 176.496 174.700 0.184 0.000 1.039 229 T CA 1.796 64.013 62.100 0.194 0.000 1.142 229 T CB -0.317 68.655 68.868 0.173 0.000 0.866 229 T HN 0.421 nan 8.240 nan 0.000 0.444 230 K N 0.838 121.322 120.400 0.140 0.000 2.097 230 K HA -0.138 4.183 4.320 0.001 0.000 0.206 230 K C 2.310 178.972 176.600 0.103 0.000 1.049 230 K CA 1.207 57.562 56.287 0.114 0.000 0.933 230 K CB -0.027 32.524 32.500 0.085 0.000 0.717 230 K HN -0.029 nan 8.250 nan 0.000 0.442 231 K N 0.639 121.115 120.400 0.125 0.000 2.097 231 K HA -0.010 4.311 4.320 0.001 0.000 0.205 231 K C 1.673 178.354 176.600 0.134 0.000 1.050 231 K CA 1.488 57.863 56.287 0.147 0.000 0.938 231 K CB -0.424 32.192 32.500 0.193 0.000 0.718 231 K HN 0.247 nan 8.250 nan 0.000 0.442 232 A N 0.703 123.555 122.820 0.052 0.000 1.969 232 A HA -0.137 4.184 4.320 0.001 0.000 0.218 232 A C 1.646 178.967 177.584 -0.437 0.000 1.169 232 A CA 1.860 53.631 52.037 -0.444 0.000 0.635 232 A CB -0.524 17.898 19.000 -0.963 0.000 0.810 232 A HN 0.341 nan 8.150 nan 0.000 0.445 233 D N 0.021 120.365 120.400 -0.093 0.000 2.097 233 D HA -0.127 4.514 4.640 0.001 0.000 0.195 233 D C 1.924 178.231 176.300 0.011 0.000 0.989 233 D CA 1.427 55.460 54.000 0.054 0.000 0.827 233 D CB -0.440 40.438 40.800 0.130 0.000 0.966 233 D HN 0.615 nan 8.370 nan 0.000 0.456 234 E N 0.214 120.429 120.200 0.024 0.000 2.118 234 E HA -0.154 4.197 4.350 0.001 0.000 0.195 234 E C 2.139 178.764 176.600 0.042 0.000 0.992 234 E CA 0.406 56.835 56.400 0.048 0.000 0.804 234 E CB 0.053 29.789 29.700 0.061 0.000 0.741 234 E HN 0.251 nan 8.360 nan 0.000 0.458 235 I N 1.424 121.966 120.570 -0.047 0.000 2.226 235 I HA -0.244 3.927 4.170 0.001 0.000 0.245 235 I C 2.378 178.438 176.117 -0.094 0.000 1.100 235 I CA 1.327 62.553 61.300 -0.124 0.000 1.374 235 I CB -0.888 36.967 38.000 -0.241 0.000 1.057 235 I HN 0.167 nan 8.210 nan 0.000 0.413 236 Q N 0.209 119.950 119.800 -0.099 0.000 2.124 236 Q HA -0.110 4.231 4.340 0.001 0.000 0.202 236 Q C 2.371 178.399 176.000 0.047 0.000 0.977 236 Q CA 1.340 57.118 55.803 -0.042 0.000 0.850 236 Q CB -0.196 28.536 28.738 -0.010 0.000 0.901 236 Q HN 0.519 nan 8.270 nan 0.000 0.429 237 I N -0.231 120.381 120.570 0.070 0.000 2.252 237 I HA -0.280 3.890 4.170 0.001 0.000 0.245 237 I C 2.298 178.519 176.117 0.174 0.000 1.102 237 I CA 0.995 62.368 61.300 0.122 0.000 1.385 237 I CB -0.350 37.703 38.000 0.088 0.000 1.064 237 I HN 0.111 nan 8.210 nan 0.000 0.414 238 Y N 2.156 122.453 120.300 -0.006 0.000 2.070 238 Y HA -0.314 4.237 4.550 0.001 0.000 0.280 238 Y C 2.521 178.368 175.900 -0.088 0.000 1.148 238 Y CA 1.789 59.869 58.100 -0.035 0.000 1.125 238 Y CB -0.233 38.195 38.460 -0.053 0.000 0.975 238 Y HN -0.054 nan 8.280 nan 0.000 0.492 239 K N -1.170 119.289 120.400 0.099 0.000 2.103 239 K HA -0.273 4.048 4.320 0.001 0.000 0.207 239 K C 2.020 178.622 176.600 0.003 0.000 1.048 239 K CA 1.836 58.028 56.287 -0.158 0.000 0.930 239 K CB -0.645 31.633 32.500 -0.370 0.000 0.716 239 K HN 0.428 nan 8.250 nan 0.000 0.444 240 Y N 1.493 121.788 120.300 -0.009 0.000 2.114 240 Y HA -0.261 4.290 4.550 0.001 0.000 0.284 240 Y C 2.035 177.936 175.900 0.002 0.000 1.143 240 Y CA 1.196 59.313 58.100 0.029 0.000 1.135 240 Y CB -0.384 38.091 38.460 0.024 0.000 0.980 240 Y HN -0.245 nan 8.280 nan 0.000 0.499 241 V N -0.931 118.990 119.914 0.012 0.000 2.295 241 V HA -0.315 3.806 4.120 0.001 0.000 0.246 241 V C 2.387 178.342 176.094 -0.231 0.000 1.049 241 V CA 1.732 64.018 62.300 -0.024 0.000 1.024 241 V CB -0.957 30.868 31.823 0.004 0.000 0.648 241 V HN 0.341 nan 8.190 nan 0.000 0.447 242 V N -0.334 119.365 119.914 -0.358 0.000 2.255 242 V HA -0.339 3.782 4.120 0.001 0.000 0.247 242 V C 2.252 178.104 176.094 -0.404 0.000 1.051 242 V CA 2.545 64.520 62.300 -0.543 0.000 1.018 242 V CB -0.913 30.416 31.823 -0.823 0.000 0.641 242 V HN 0.638 nan 8.190 nan 0.000 0.445 243 H N -0.030 118.883 119.070 -0.262 0.000 2.319 243 H HA -0.186 4.371 4.556 0.001 0.000 0.297 243 H C 2.306 177.428 175.328 -0.344 0.000 1.097 243 H CA 2.118 58.025 56.048 -0.236 0.000 1.285 243 H CB -0.036 29.635 29.762 -0.151 0.000 1.368 243 H HN 0.456 nan 8.280 nan 0.000 0.495 244 N N -0.522 117.895 118.700 -0.472 0.000 2.300 244 N HA -0.088 4.653 4.740 0.001 0.000 0.179 244 N C 1.701 176.859 175.510 -0.586 0.000 1.016 244 N CA 0.633 53.198 53.050 -0.808 0.000 0.876 244 N CB 0.243 37.631 38.487 -1.832 0.000 0.979 244 N HN 0.042 nan 8.380 nan 0.000 0.432 245 V N 0.760 120.457 119.914 -0.362 0.000 2.453 245 V HA -0.111 4.010 4.120 0.001 0.000 0.247 245 V C 2.244 178.288 176.094 -0.085 0.000 1.048 245 V CA 1.656 63.899 62.300 -0.095 0.000 1.049 245 V CB -0.832 30.923 31.823 -0.113 0.000 0.672 245 V HN 0.324 nan 8.190 nan 0.000 0.457 246 A N -0.260 122.463 122.820 -0.162 0.000 1.865 246 A HA -0.333 3.987 4.320 0.001 0.000 0.217 246 A C 2.102 179.711 177.584 0.041 0.000 1.191 246 A CA 2.519 54.501 52.037 -0.092 0.000 0.623 246 A CB -0.926 18.012 19.000 -0.102 0.000 0.826 246 A HN 0.713 nan 8.150 nan 0.000 0.444 247 H N -0.623 118.404 119.070 -0.072 0.000 2.319 247 H HA -0.086 4.471 4.556 0.001 0.000 0.299 247 H C 2.220 177.558 175.328 0.015 0.000 1.092 247 H CA 2.045 58.067 56.048 -0.044 0.000 1.302 247 H CB -0.127 29.561 29.762 -0.124 0.000 1.373 247 H HN 0.346 nan 8.280 nan 0.000 0.497 248 R N -0.601 119.955 120.500 0.093 0.000 2.241 248 R HA -0.112 4.228 4.340 0.001 0.000 0.224 248 R C 0.814 177.199 176.300 0.141 0.000 1.101 248 R CA 1.207 57.375 56.100 0.113 0.000 0.995 248 R CB -0.206 30.211 30.300 0.196 0.000 0.870 248 R HN 0.397 nan 8.270 nan 0.000 0.463 249 F N -0.853 119.056 119.950 -0.068 0.000 2.664 249 F HA 0.214 4.742 4.527 0.001 0.000 0.303 249 F C 1.304 177.068 175.800 -0.059 0.000 1.092 249 F CA 0.269 58.240 58.000 -0.049 0.000 1.305 249 F CB 1.111 40.093 39.000 -0.032 0.000 1.054 249 F HN 0.201 nan 8.300 nan 0.000 0.565 250 G N 0.904 109.727 108.800 0.039 0.000 2.137 250 G HA2 -0.233 3.728 3.960 0.001 0.000 0.237 250 G HA3 -0.233 3.728 3.960 0.001 0.000 0.237 250 G C 0.179 175.101 174.900 0.037 0.000 1.002 250 G CA -0.132 44.960 45.100 -0.014 0.000 0.702 250 G HN 0.172 nan 8.290 nan 0.000 0.515 251 K N -0.766 119.669 120.400 0.058 0.000 2.312 251 K HA 0.853 5.173 4.320 0.001 0.000 0.236 251 K C -0.416 176.237 176.600 0.088 0.000 1.079 251 K CA -0.268 56.071 56.287 0.085 0.000 0.900 251 K CB 1.505 34.049 32.500 0.073 0.000 1.297 251 K HN 0.300 nan 8.250 nan 0.000 0.498 252 T N -0.539 114.086 114.554 0.117 0.000 3.011 252 T HA 0.613 4.963 4.350 0.001 0.000 0.303 252 T C -1.608 173.140 174.700 0.079 0.000 0.997 252 T CA -0.539 61.643 62.100 0.137 0.000 1.007 252 T CB 0.904 69.886 68.868 0.190 0.000 1.017 252 T HN 0.587 nan 8.240 nan 0.000 0.443 253 A N 3.321 126.175 122.820 0.057 0.000 2.312 253 A HA 0.847 5.168 4.320 0.001 0.000 0.328 253 A C 0.170 177.760 177.584 0.010 0.000 1.158 253 A CA -0.661 51.333 52.037 -0.071 0.000 0.821 253 A CB 1.610 20.455 19.000 -0.258 0.000 1.170 253 A HN 0.846 nan 8.150 nan 0.000 0.490 254 T N 0.305 114.771 114.554 -0.147 0.000 2.912 254 T HA 0.578 4.929 4.350 0.001 0.000 0.299 254 T C -0.888 173.716 174.700 -0.160 0.000 1.052 254 T CA -0.251 61.851 62.100 0.004 0.000 0.996 254 T CB 0.428 69.362 68.868 0.110 0.000 1.070 254 T HN 0.368 nan 8.240 nan 0.000 0.465 255 F N 2.398 122.448 119.950 0.167 0.000 2.639 255 F HA 0.462 4.990 4.527 0.001 0.000 0.302 255 F C 1.192 177.082 175.800 0.150 0.000 1.097 255 F CA -0.467 57.623 58.000 0.150 0.000 1.294 255 F CB 0.083 39.137 39.000 0.090 0.000 1.027 255 F HN 0.323 nan 8.300 nan 0.000 0.550 256 M N 1.576 121.330 119.600 0.256 0.000 2.245 256 M HA -0.026 4.455 4.480 0.001 0.000 0.335 256 M C -1.242 175.177 176.300 0.197 0.000 1.155 256 M CA -0.791 54.621 55.300 0.186 0.000 1.055 256 M CB 0.379 33.056 32.600 0.129 0.000 1.670 256 M HN -0.143 nan 8.290 nan 0.000 0.447 257 P HA -0.082 nan 4.420 nan 0.000 0.217 257 P C -0.263 177.128 177.300 0.151 0.000 1.151 257 P CA 1.360 64.545 63.100 0.141 0.000 0.828 257 P CB 0.294 32.041 31.700 0.079 0.000 0.788 258 K N -0.930 119.540 120.400 0.116 0.000 2.814 258 K HA 0.216 4.537 4.320 0.001 0.000 0.205 258 K C -2.220 174.409 176.600 0.049 0.000 1.093 258 K CA -1.806 54.542 56.287 0.101 0.000 1.035 258 K CB 0.448 33.008 32.500 0.100 0.000 1.220 258 K HN -0.127 nan 8.250 nan 0.000 0.576 259 P HA -0.050 nan 4.420 nan 0.000 0.222 259 P C -0.234 177.027 177.300 -0.067 0.000 1.153 259 P CA 0.768 63.831 63.100 -0.061 0.000 0.798 259 P CB 0.400 32.028 31.700 -0.120 0.000 0.796 260 M N -0.800 118.765 119.600 -0.059 0.000 2.395 260 M HA 0.342 4.823 4.480 0.001 0.000 0.307 260 M C -0.739 175.604 176.300 0.073 0.000 1.091 260 M CA -1.135 54.164 55.300 -0.002 0.000 0.919 260 M CB 2.639 35.230 32.600 -0.015 0.000 1.662 260 M HN -0.268 nan 8.290 nan 0.000 0.440 261 F N 1.880 121.828 119.950 -0.003 0.000 2.427 261 F HA 0.583 5.111 4.527 0.001 0.000 0.352 261 F C 0.934 176.750 175.800 0.026 0.000 1.100 261 F CA 1.155 59.166 58.000 0.017 0.000 1.191 261 F CB 0.846 39.855 39.000 0.015 0.000 1.128 261 F HN 0.840 nan 8.300 nan 0.000 0.533 262 G N 3.284 111.530 108.800 -0.923 0.000 2.195 262 G HA2 -0.182 3.779 3.960 0.001 0.000 0.224 262 G HA3 -0.182 3.779 3.960 0.001 0.000 0.224 262 G C -0.512 174.233 174.900 -0.259 0.000 0.990 262 G CA 0.063 44.767 45.100 -0.659 0.000 0.639 262 G HN 0.788 nan 8.290 nan 0.000 0.514 263 D N -0.308 120.008 120.400 -0.140 0.000 2.579 263 D HA 0.315 4.956 4.640 0.001 0.000 0.257 263 D C -0.155 176.164 176.300 0.031 0.000 1.176 263 D CA -0.646 53.348 54.000 -0.010 0.000 0.914 263 D CB 0.823 41.687 40.800 0.108 0.000 1.431 263 D HN 0.071 nan 8.370 nan 0.000 0.454 264 N N -0.493 118.248 118.700 0.068 0.000 2.294 264 N HA 0.134 4.875 4.740 0.001 0.000 0.248 264 N C 0.150 175.775 175.510 0.193 0.000 1.242 264 N CA 0.632 53.728 53.050 0.078 0.000 0.848 264 N CB 0.522 39.026 38.487 0.029 0.000 1.084 264 N HN 0.351 nan 8.380 nan 0.000 0.457 265 G N 0.421 109.305 108.800 0.139 0.000 2.531 265 G HA2 0.340 4.301 3.960 0.001 0.000 0.313 265 G HA3 0.340 4.301 3.960 0.001 0.000 0.313 265 G C -0.965 174.039 174.900 0.173 0.000 1.238 265 G CA -0.404 44.815 45.100 0.199 0.000 0.994 265 G HN 0.462 nan 8.290 nan 0.000 0.493 266 S N -1.041 114.776 115.700 0.195 0.000 2.437 266 S HA 0.691 5.161 4.470 0.001 0.000 0.305 266 S C 0.436 175.085 174.600 0.083 0.000 1.109 266 S CA -0.322 57.936 58.200 0.096 0.000 1.099 266 S CB 1.415 64.700 63.200 0.141 0.000 1.004 266 S HN 0.945 nan 8.310 nan 0.000 0.475 267 G N 1.212 110.021 108.800 0.014 0.000 2.735 267 G HA2 0.690 4.651 3.960 0.001 0.000 0.301 267 G HA3 0.690 4.651 3.960 0.001 0.000 0.301 267 G C -0.973 173.915 174.900 -0.019 0.000 1.279 267 G CA -0.756 44.356 45.100 0.020 0.000 1.019 267 G HN 0.621 nan 8.290 nan 0.000 0.497 268 M N 1.448 121.064 119.600 0.025 0.000 2.353 268 M HA 0.304 4.785 4.480 0.001 0.000 0.218 268 M C -0.687 175.666 176.300 0.088 0.000 1.044 268 M CA -0.481 54.839 55.300 0.033 0.000 0.615 268 M CB -0.051 32.596 32.600 0.079 0.000 1.531 268 M HN 0.719 nan 8.290 nan 0.000 0.378 269 H N 0.602 119.679 119.070 0.012 0.000 3.038 269 H HA 0.057 4.614 4.556 0.001 0.000 0.338 269 H C -0.506 174.777 175.328 -0.074 0.000 1.041 269 H CA -0.154 55.851 56.048 -0.071 0.000 1.394 269 H CB 0.612 30.310 29.762 -0.106 0.000 1.357 269 H HN 0.549 nan 8.280 nan 0.000 0.600 270 C N 4.619 123.900 119.300 -0.031 0.000 2.321 270 C HA 0.161 4.622 4.460 0.001 0.000 0.323 270 C C 0.080 174.945 174.990 -0.208 0.000 1.191 270 C CA -0.808 58.173 59.018 -0.061 0.000 1.455 270 C CB -0.520 27.219 27.740 -0.002 0.000 2.083 270 C HN 0.791 nan 8.230 nan 0.000 0.442 271 H N 3.536 122.528 119.070 -0.130 0.000 2.610 271 H HA 0.521 5.077 4.556 0.001 0.000 0.336 271 H C -0.156 174.932 175.328 -0.401 0.000 1.087 271 H CA 0.514 56.444 56.048 -0.196 0.000 1.405 271 H CB 0.998 30.686 29.762 -0.123 0.000 1.460 271 H HN 0.572 nan 8.280 nan 0.000 0.538 272 M N 1.393 120.775 119.600 -0.364 0.000 2.575 272 M HA 0.315 4.796 4.480 0.001 0.000 0.284 272 M C -0.721 175.154 176.300 -0.709 0.000 1.253 272 M CA -0.740 54.161 55.300 -0.664 0.000 0.861 272 M CB 2.818 34.922 32.600 -0.826 0.000 1.733 272 M HN 0.652 nan 8.290 nan 0.000 0.462 273 S N 1.287 116.421 115.700 -0.944 0.000 2.578 273 S HA 0.768 5.239 4.470 0.001 0.000 0.272 273 S C -1.828 172.086 174.600 -1.143 0.000 1.145 273 S CA -1.029 56.290 58.200 -1.468 0.000 0.835 273 S CB 1.270 63.914 63.200 -0.926 0.000 1.104 273 S HN 0.708 nan 8.310 nan 0.000 0.458 274 L N 1.333 121.784 121.223 -1.288 0.000 2.322 274 L HA 0.977 5.318 4.340 0.001 0.000 0.269 274 L C 0.149 176.874 176.870 -0.242 0.000 1.012 274 L CA -0.812 53.758 54.840 -0.451 0.000 0.815 274 L CB 1.894 43.900 42.059 -0.088 0.000 1.295 274 L HN 1.104 nan 8.230 nan 0.000 0.438 275 A N 1.897 124.659 122.820 -0.098 0.000 2.587 275 A HA 0.762 5.082 4.320 0.001 0.000 0.293 275 A C -1.405 176.179 177.584 0.001 0.000 1.087 275 A CA -0.625 51.382 52.037 -0.049 0.000 0.692 275 A CB 2.133 21.092 19.000 -0.068 0.000 1.291 275 A HN 0.609 nan 8.150 nan 0.000 0.407 276 K N 1.470 121.876 120.400 0.009 0.000 2.581 276 K HA 0.359 4.679 4.320 0.001 0.000 0.249 276 K C -0.785 175.823 176.600 0.014 0.000 0.966 276 K CA -0.557 55.741 56.287 0.019 0.000 0.811 276 K CB 0.723 33.241 32.500 0.029 0.000 1.223 276 K HN 0.760 nan 8.250 nan 0.000 0.438 277 N N 2.610 121.318 118.700 0.015 0.000 2.714 277 N HA -0.216 4.524 4.740 0.001 0.000 0.252 277 N C 0.406 175.921 175.510 0.009 0.000 1.014 277 N CA 1.461 54.518 53.050 0.013 0.000 0.735 277 N CB -1.189 37.305 38.487 0.012 0.000 0.924 277 N HN 1.123 nan 8.380 nan 0.000 0.540 278 G N -1.648 107.157 108.800 0.008 0.000 2.168 278 G HA2 -0.338 3.623 3.960 0.001 0.000 0.257 278 G HA3 -0.338 3.623 3.960 0.001 0.000 0.257 278 G C 0.136 175.033 174.900 -0.004 0.000 0.997 278 G CA 0.979 46.082 45.100 0.004 0.000 0.708 278 G HN 0.575 nan 8.290 nan 0.000 0.520 279 T N 0.254 114.805 114.554 -0.004 0.000 2.823 279 T HA 0.471 4.822 4.350 0.001 0.000 0.279 279 T C -0.047 174.644 174.700 -0.015 0.000 0.998 279 T CA -0.624 61.473 62.100 -0.006 0.000 0.994 279 T CB 1.588 70.459 68.868 0.005 0.000 0.960 279 T HN 0.222 nan 8.240 nan 0.000 0.448 280 N N 2.866 121.552 118.700 -0.024 0.000 2.415 280 N HA 0.063 4.803 4.740 0.001 0.000 0.250 280 N C 0.554 176.085 175.510 0.034 0.000 1.127 280 N CA -0.638 52.390 53.050 -0.038 0.000 0.945 280 N CB 0.179 38.628 38.487 -0.063 0.000 1.196 280 N HN 0.348 nan 8.380 nan 0.000 0.499 281 L N 3.295 124.563 121.223 0.076 0.000 2.642 281 L HA -0.006 4.335 4.340 0.001 0.000 0.236 281 L C 0.964 178.035 176.870 0.335 0.000 1.169 281 L CA 0.829 55.776 54.840 0.178 0.000 0.851 281 L CB -0.783 41.396 42.059 0.200 0.000 0.968 281 L HN 0.506 nan 8.230 nan 0.000 0.453 282 F N -1.956 117.934 119.950 -0.100 0.000 2.721 282 F HA 0.224 4.751 4.527 0.001 0.000 0.301 282 F C 1.495 177.239 175.800 -0.092 0.000 1.096 282 F CA -0.772 57.158 58.000 -0.117 0.000 1.308 282 F CB -0.402 38.498 39.000 -0.166 0.000 1.086 282 F HN 0.005 nan 8.300 nan 0.000 0.587 283 S N -0.326 115.426 115.700 0.086 0.000 2.525 283 S HA 0.792 5.263 4.470 0.001 0.000 0.278 283 S C 0.136 174.734 174.600 -0.003 0.000 1.234 283 S CA 0.117 58.331 58.200 0.024 0.000 1.058 283 S CB 1.782 64.988 63.200 0.009 0.000 0.983 283 S HN 0.280 nan 8.310 nan 0.000 0.495 284 G N 1.765 110.554 108.800 -0.018 0.000 2.650 284 G HA2 0.443 4.403 3.960 0.001 0.000 0.310 284 G HA3 0.443 4.403 3.960 0.001 0.000 0.310 284 G C -0.781 174.105 174.900 -0.023 0.000 1.270 284 G CA -0.161 44.923 45.100 -0.027 0.000 0.810 284 G HN 0.649 nan 8.290 nan 0.000 0.493 285 D N -0.535 119.852 120.400 -0.022 0.000 2.346 285 D HA 0.143 4.784 4.640 0.001 0.000 0.206 285 D C 1.027 177.323 176.300 -0.006 0.000 1.001 285 D CA 0.374 54.365 54.000 -0.015 0.000 0.871 285 D CB 0.346 41.140 40.800 -0.010 0.000 0.943 285 D HN 0.150 nan 8.370 nan 0.000 0.518 286 K N 0.330 120.729 120.400 -0.002 0.000 2.400 286 K HA 0.028 4.349 4.320 0.001 0.000 0.253 286 K C 0.070 176.716 176.600 0.077 0.000 1.076 286 K CA -0.628 55.682 56.287 0.037 0.000 0.887 286 K CB -0.560 31.951 32.500 0.017 0.000 1.168 286 K HN 0.181 nan 8.250 nan 0.000 0.505 287 Y N 0.884 121.192 120.300 0.014 0.000 2.996 287 Y HA -0.107 4.443 4.550 0.001 0.000 0.347 287 Y C 0.895 176.811 175.900 0.026 0.000 1.276 287 Y CA 1.207 59.332 58.100 0.041 0.000 1.601 287 Y CB -0.246 38.284 38.460 0.116 0.000 1.193 287 Y HN 0.715 nan 8.280 nan 0.000 0.582 288 A N 3.987 126.494 122.820 -0.521 0.000 2.774 288 A HA -0.176 4.145 4.320 0.001 0.000 0.290 288 A C 1.726 179.243 177.584 -0.111 0.000 1.484 288 A CA 1.601 53.420 52.037 -0.363 0.000 0.863 288 A CB -2.237 16.524 19.000 -0.397 0.000 0.989 288 A HN 2.572 nan 8.150 nan 0.000 0.554 289 G N -3.940 104.818 108.800 -0.070 0.000 2.175 289 G HA2 -0.055 3.906 3.960 0.001 0.000 0.244 289 G HA3 -0.055 3.906 3.960 0.001 0.000 0.244 289 G C -0.022 174.870 174.900 -0.014 0.000 0.982 289 G CA 0.363 45.442 45.100 -0.035 0.000 0.641 289 G HN 1.362 nan 8.290 nan 0.000 0.527 290 L N 2.033 123.257 121.223 0.001 0.000 2.439 290 L HA 0.618 4.959 4.340 0.001 0.000 0.269 290 L C 1.473 178.296 176.870 -0.077 0.000 1.179 290 L CA 0.242 55.062 54.840 -0.033 0.000 0.828 290 L CB 1.219 43.264 42.059 -0.024 0.000 1.106 290 L HN 0.594 nan 8.230 nan 0.000 0.467 291 S N 1.263 116.880 115.700 -0.138 0.000 2.669 291 S HA 0.239 4.710 4.470 0.001 0.000 0.270 291 S C 0.885 175.334 174.600 -0.252 0.000 1.225 291 S CA -0.012 58.097 58.200 -0.151 0.000 0.991 291 S CB 0.664 63.788 63.200 -0.126 0.000 0.987 291 S HN 0.692 nan 8.310 nan 0.000 0.552 292 E N -0.207 119.838 120.200 -0.258 0.000 2.274 292 E HA -0.190 4.161 4.350 0.001 0.000 0.194 292 E C 1.880 178.104 176.600 -0.626 0.000 0.996 292 E CA 0.764 56.903 56.400 -0.436 0.000 0.840 292 E CB -0.299 29.174 29.700 -0.378 0.000 0.772 292 E HN 0.787 nan 8.360 nan 0.000 0.491 293 Q N 0.819 120.386 119.800 -0.389 0.000 2.124 293 Q HA -0.142 4.199 4.340 0.001 0.000 0.202 293 Q C 2.162 177.882 176.000 -0.467 0.000 0.977 293 Q CA 1.693 57.326 55.803 -0.283 0.000 0.850 293 Q CB -0.195 28.470 28.738 -0.121 0.000 0.901 293 Q HN 0.427 nan 8.270 nan 0.000 0.429 294 A N 0.440 122.796 122.820 -0.773 0.000 1.898 294 A HA -0.137 4.184 4.320 0.001 0.000 0.216 294 A C 1.996 179.223 177.584 -0.596 0.000 1.181 294 A CA 1.142 52.483 52.037 -1.159 0.000 0.620 294 A CB -0.662 17.709 19.000 -1.049 0.000 0.819 294 A HN 0.446 nan 8.150 nan 0.000 0.442 295 L N -1.825 119.080 121.223 -0.529 0.000 2.083 295 L HA -0.194 4.147 4.340 0.001 0.000 0.209 295 L C 2.510 179.196 176.870 -0.306 0.000 1.083 295 L CA 1.161 55.693 54.840 -0.513 0.000 0.752 295 L CB -0.699 41.022 42.059 -0.564 0.000 0.899 295 L HN 0.400 nan 8.230 nan 0.000 0.433 296 Y N -1.412 118.761 120.300 -0.213 0.000 2.293 296 Y HA -0.239 4.312 4.550 0.001 0.000 0.291 296 Y C 2.493 178.340 175.900 -0.087 0.000 1.137 296 Y CA 0.430 58.453 58.100 -0.129 0.000 1.202 296 Y CB -1.080 37.342 38.460 -0.063 0.000 0.990 296 Y HN 0.105 nan 8.280 nan 0.000 0.537 297 Y N 0.180 120.446 120.300 -0.057 0.000 2.145 297 Y HA -0.244 4.307 4.550 0.001 0.000 0.286 297 Y C 2.330 178.202 175.900 -0.047 0.000 1.145 297 Y CA 1.639 59.725 58.100 -0.022 0.000 1.148 297 Y CB -0.457 37.966 38.460 -0.061 0.000 0.981 297 Y HN -0.023 nan 8.280 nan 0.000 0.507 298 I N -0.435 120.176 120.570 0.069 0.000 2.163 298 I HA -0.327 3.844 4.170 0.001 0.000 0.243 298 I C 2.660 178.730 176.117 -0.079 0.000 1.085 298 I CA 1.497 62.770 61.300 -0.045 0.000 1.347 298 I CB -1.186 36.627 38.000 -0.313 0.000 1.044 298 I HN 0.396 nan 8.210 nan 0.000 0.408 299 G N 0.692 109.427 108.800 -0.108 0.000 2.469 299 G HA2 -0.237 3.724 3.960 0.001 0.000 0.219 299 G HA3 -0.237 3.724 3.960 0.001 0.000 0.219 299 G C 1.693 176.523 174.900 -0.118 0.000 1.150 299 G CA 0.982 46.027 45.100 -0.092 0.000 0.763 299 G HN 0.513 nan 8.290 nan 0.000 0.561 300 G N 0.295 109.027 108.800 -0.113 0.000 2.421 300 G HA2 -0.146 3.814 3.960 0.001 0.000 0.216 300 G HA3 -0.146 3.814 3.960 0.001 0.000 0.216 300 G C 1.790 176.599 174.900 -0.151 0.000 1.171 300 G CA 1.247 46.255 45.100 -0.153 0.000 0.775 300 G HN 0.339 nan 8.290 nan 0.000 0.543 301 V N 1.320 121.190 119.914 -0.073 0.000 2.343 301 V HA -0.144 3.977 4.120 0.001 0.000 0.247 301 V C 2.777 178.889 176.094 0.030 0.000 1.051 301 V CA 1.459 63.779 62.300 0.033 0.000 1.036 301 V CB -0.353 31.546 31.823 0.127 0.000 0.654 301 V HN 0.403 nan 8.190 nan 0.000 0.451 302 I N -0.203 120.357 120.570 -0.016 0.000 2.315 302 I HA -0.226 3.945 4.170 0.001 0.000 0.248 302 I C 2.543 178.588 176.117 -0.120 0.000 1.117 302 I CA 1.602 62.888 61.300 -0.023 0.000 1.404 302 I CB -0.449 37.546 38.000 -0.008 0.000 1.071 302 I HN 0.295 nan 8.210 nan 0.000 0.419 303 K N 0.505 120.753 120.400 -0.253 0.000 2.057 303 K HA -0.158 4.163 4.320 0.001 0.000 0.206 303 K C 1.588 177.894 176.600 -0.490 0.000 1.050 303 K CA 1.285 57.317 56.287 -0.426 0.000 0.935 303 K CB 0.061 32.169 32.500 -0.654 0.000 0.715 303 K HN 0.389 nan 8.250 nan 0.000 0.439 304 H N -0.588 118.318 119.070 -0.273 0.000 2.505 304 H HA 0.245 4.802 4.556 0.001 0.000 0.289 304 H C 1.366 176.611 175.328 -0.138 0.000 1.052 304 H CA 0.427 56.258 56.048 -0.362 0.000 1.156 304 H CB 0.513 29.669 29.762 -1.010 0.000 1.507 304 H HN 0.284 nan 8.280 nan 0.000 0.548 305 A N 1.884 124.705 122.820 0.000 0.000 1.869 305 A HA -0.258 4.063 4.320 0.001 0.000 0.218 305 A C 2.306 179.866 177.584 -0.041 0.000 1.203 305 A CA 1.748 53.783 52.037 -0.003 0.000 0.638 305 A CB -0.286 18.653 19.000 -0.102 0.000 0.831 305 A HN 0.304 nan 8.150 nan 0.000 0.450 306 K N -0.530 119.846 120.400 -0.039 0.000 2.113 306 K HA -0.129 4.192 4.320 0.001 0.000 0.208 306 K C 2.234 178.875 176.600 0.068 0.000 1.047 306 K CA 1.219 57.502 56.287 -0.007 0.000 0.928 306 K CB -0.341 32.155 32.500 -0.006 0.000 0.716 306 K HN 0.499 nan 8.250 nan 0.000 0.446 307 A N 1.325 124.214 122.820 0.115 0.000 1.897 307 A HA -0.073 4.248 4.320 0.001 0.000 0.215 307 A C 2.078 179.779 177.584 0.194 0.000 1.181 307 A CA 0.959 53.097 52.037 0.169 0.000 0.620 307 A CB -0.432 18.733 19.000 0.275 0.000 0.821 307 A HN 0.156 nan 8.150 nan 0.000 0.443 308 I N 0.182 120.898 120.570 0.243 0.000 2.361 308 I HA -0.293 3.878 4.170 0.001 0.000 0.251 308 I C 2.127 178.423 176.117 0.298 0.000 1.133 308 I CA 1.422 62.900 61.300 0.297 0.000 1.413 308 I CB -0.627 37.617 38.000 0.407 0.000 1.073 308 I HN 0.438 nan 8.210 nan 0.000 0.424 309 N N 1.010 119.847 118.700 0.228 0.000 2.094 309 N HA -0.204 4.537 4.740 0.001 0.000 0.191 309 N C 1.954 177.637 175.510 0.288 0.000 1.023 309 N CA 1.235 54.429 53.050 0.240 0.000 0.857 309 N CB -0.209 38.379 38.487 0.167 0.000 1.013 309 N HN 0.355 nan 8.380 nan 0.000 0.426 310 A N 0.253 123.223 122.820 0.249 0.000 2.076 310 A HA -0.103 4.217 4.320 0.001 0.000 0.220 310 A C 1.860 179.639 177.584 0.325 0.000 1.160 310 A CA 1.259 53.469 52.037 0.288 0.000 0.653 310 A CB -0.303 18.841 19.000 0.239 0.000 0.801 310 A HN 0.219 nan 8.150 nan 0.000 0.455 311 L N -2.610 118.745 121.223 0.220 0.000 2.500 311 L HA 0.267 4.607 4.340 0.001 0.000 0.219 311 L C 2.574 179.571 176.870 0.210 0.000 1.057 311 L CA 0.828 55.770 54.840 0.171 0.000 0.854 311 L CB -0.096 41.983 42.059 0.032 0.000 1.078 311 L HN 0.214 nan 8.230 nan 0.000 0.480 312 A N -0.602 122.372 122.820 0.257 0.000 2.132 312 A HA 0.129 4.450 4.320 0.001 0.000 0.213 312 A C 0.757 178.475 177.584 0.224 0.000 1.154 312 A CA 0.576 52.770 52.037 0.262 0.000 0.753 312 A CB -0.057 19.166 19.000 0.371 0.000 0.826 312 A HN 0.406 nan 8.150 nan 0.000 0.469 313 N N 0.126 118.951 118.700 0.208 0.000 2.711 313 N HA 0.151 4.892 4.740 0.001 0.000 0.263 313 N C -2.685 172.904 175.510 0.132 0.000 1.667 313 N CA -0.724 52.363 53.050 0.063 0.000 0.785 313 N CB 1.410 39.839 38.487 -0.097 0.000 1.231 313 N HN 0.220 nan 8.380 nan 0.000 0.503 314 P HA -0.022 nan 4.420 nan 0.000 0.249 314 P C 0.219 177.620 177.300 0.167 0.000 1.241 314 P CA 0.651 63.886 63.100 0.225 0.000 0.781 314 P CB 0.076 31.928 31.700 0.253 0.000 1.088 315 T N -4.452 110.186 114.554 0.139 0.000 2.924 315 T HA 0.349 4.700 4.350 0.001 0.000 0.291 315 T C 1.287 176.111 174.700 0.206 0.000 1.045 315 T CA -0.123 62.053 62.100 0.126 0.000 1.015 315 T CB 1.293 70.206 68.868 0.074 0.000 1.103 315 T HN -0.087 nan 8.240 nan 0.000 0.496 316 T N -0.800 113.870 114.554 0.194 0.000 2.915 316 T HA -0.132 4.219 4.350 0.001 0.000 0.269 316 T C 1.644 176.482 174.700 0.231 0.000 1.071 316 T CA 1.271 63.528 62.100 0.260 0.000 1.132 316 T CB -0.650 68.306 68.868 0.147 0.000 0.878 316 T HN 0.729 nan 8.240 nan 0.000 0.479 317 N N 0.887 119.662 118.700 0.124 0.000 2.244 317 N HA -0.110 4.631 4.740 0.001 0.000 0.183 317 N C 1.817 177.354 175.510 0.044 0.000 1.016 317 N CA 1.206 54.307 53.050 0.086 0.000 0.866 317 N CB -0.185 38.336 38.487 0.056 0.000 0.980 317 N HN 0.415 nan 8.380 nan 0.000 0.430 318 S N 0.046 115.717 115.700 -0.049 0.000 2.387 318 S HA -0.143 4.328 4.470 0.001 0.000 0.230 318 S C 1.219 175.610 174.600 -0.349 0.000 1.035 318 S CA 1.075 59.132 58.200 -0.239 0.000 1.014 318 S CB -0.408 62.519 63.200 -0.455 0.000 0.836 318 S HN 0.474 nan 8.310 nan 0.000 0.466 319 Y N 1.366 121.721 120.300 0.091 0.000 2.578 319 Y HA 0.144 4.694 4.550 0.001 0.000 0.297 319 Y C 1.918 177.867 175.900 0.081 0.000 1.176 319 Y CA 0.281 58.428 58.100 0.078 0.000 1.315 319 Y CB -0.261 38.235 38.460 0.060 0.000 1.031 319 Y HN 0.175 nan 8.280 nan 0.000 0.524 320 K N -0.274 120.216 120.400 0.150 0.000 2.393 320 K HA 0.057 4.378 4.320 0.001 0.000 0.193 320 K C 2.008 178.682 176.600 0.124 0.000 1.026 320 K CA 0.120 56.496 56.287 0.149 0.000 1.064 320 K CB 0.312 32.903 32.500 0.151 0.000 0.833 320 K HN 0.223 nan 8.250 nan 0.000 0.521 321 R N 0.887 121.439 120.500 0.087 0.000 2.103 321 R HA 0.122 4.463 4.340 0.001 0.000 0.212 321 R C 0.493 176.840 176.300 0.080 0.000 1.107 321 R CA 0.288 56.435 56.100 0.077 0.000 1.025 321 R CB 0.227 30.566 30.300 0.065 0.000 0.929 321 R HN 0.016 nan 8.270 nan 0.000 0.456 322 L N 2.801 124.069 121.223 0.075 0.000 2.391 322 L HA 0.256 4.596 4.340 0.001 0.000 0.249 322 L C -0.754 176.189 176.870 0.121 0.000 1.308 322 L CA -0.327 54.573 54.840 0.100 0.000 1.209 322 L CB 0.968 43.086 42.059 0.099 0.000 1.401 322 L HN 0.006 nan 8.230 nan 0.000 0.416 323 V N 2.630 122.605 119.914 0.101 0.000 2.735 323 V HA 0.442 4.563 4.120 0.001 0.000 0.310 323 V C -1.968 174.174 176.094 0.079 0.000 1.061 323 V CA -1.864 60.493 62.300 0.096 0.000 0.913 323 V CB 2.839 34.728 31.823 0.111 0.000 1.005 323 V HN 0.275 nan 8.190 nan 0.000 0.428 324 P HA 0.081 nan 4.420 nan 0.000 0.231 324 P C 0.200 177.578 177.300 0.129 0.000 1.210 324 P CA 0.732 63.872 63.100 0.066 0.000 1.332 324 P CB -0.424 31.271 31.700 -0.008 0.000 1.594 325 G N 0.409 109.283 108.800 0.123 0.000 2.642 325 G HA2 0.342 4.302 3.960 0.001 0.000 0.291 325 G HA3 0.342 4.302 3.960 0.001 0.000 0.291 325 G C 0.134 175.216 174.900 0.304 0.000 1.345 325 G CA -0.505 44.642 45.100 0.078 0.000 1.043 325 G HN 0.339 nan 8.290 nan 0.000 0.528 326 Y N -1.427 118.891 120.300 0.029 0.000 2.503 326 Y HA 0.168 4.719 4.550 0.001 0.000 0.277 326 Y C 2.528 178.450 175.900 0.037 0.000 1.102 326 Y CA -0.137 57.985 58.100 0.036 0.000 1.261 326 Y CB 0.646 39.124 38.460 0.031 0.000 1.096 326 Y HN 0.278 nan 8.280 nan 0.000 0.546 327 E N 1.389 121.658 120.200 0.116 0.000 2.340 327 E HA 0.100 4.451 4.350 0.001 0.000 0.194 327 E C 0.847 177.494 176.600 0.078 0.000 0.996 327 E CA 0.119 56.562 56.400 0.073 0.000 0.869 327 E CB 0.070 29.780 29.700 0.016 0.000 0.835 327 E HN 0.219 nan 8.360 nan 0.000 0.493 328 A N 4.484 127.352 122.820 0.079 0.000 2.526 328 A HA 0.082 4.403 4.320 0.001 0.000 0.267 328 A C -1.883 175.767 177.584 0.111 0.000 1.095 328 A CA -0.828 51.264 52.037 0.092 0.000 0.775 328 A CB -0.311 18.739 19.000 0.083 0.000 1.036 328 A HN -0.102 nan 8.150 nan 0.000 0.510 329 P HA 0.072 nan 4.420 nan 0.000 0.241 329 P C 0.634 178.029 177.300 0.159 0.000 1.760 329 P CA 0.213 63.393 63.100 0.134 0.000 1.081 329 P CB -0.107 31.675 31.700 0.136 0.000 1.975 330 V N -1.382 118.606 119.914 0.123 0.000 3.661 330 V HA 0.222 4.343 4.120 0.001 0.000 0.271 330 V C 0.842 176.984 176.094 0.081 0.000 1.315 330 V CA 0.243 62.600 62.300 0.096 0.000 1.072 330 V CB -0.398 31.473 31.823 0.079 0.000 0.830 330 V HN 0.050 nan 8.190 nan 0.000 0.443 331 M N 1.810 121.470 119.600 0.100 0.000 2.120 331 M HA 0.372 4.853 4.480 0.001 0.000 0.354 331 M C -0.613 175.740 176.300 0.088 0.000 1.287 331 M CA -0.498 54.858 55.300 0.094 0.000 1.103 331 M CB 1.186 33.846 32.600 0.100 0.000 1.623 331 M HN 0.127 nan 8.290 nan 0.000 0.471 332 L N 3.882 125.146 121.223 0.068 0.000 2.376 332 L HA 0.346 4.686 4.340 0.001 0.000 0.250 332 L C 0.321 177.239 176.870 0.080 0.000 1.335 332 L CA 0.175 55.059 54.840 0.073 0.000 1.214 332 L CB -1.548 40.531 42.059 0.033 0.000 1.395 332 L HN 0.833 nan 8.230 nan 0.000 0.424 333 A N 1.952 124.831 122.820 0.098 0.000 2.609 333 A HA 0.766 5.087 4.320 0.001 0.000 0.291 333 A C -1.540 176.126 177.584 0.138 0.000 1.096 333 A CA -0.632 51.459 52.037 0.089 0.000 0.684 333 A CB 1.251 20.247 19.000 -0.005 0.000 1.282 333 A HN 0.312 nan 8.150 nan 0.000 0.412 334 Y N -0.602 119.656 120.300 -0.069 0.000 2.446 334 Y HA 0.895 5.446 4.550 0.001 0.000 0.338 334 Y C -0.039 175.793 175.900 -0.114 0.000 1.055 334 Y CA -1.020 57.028 58.100 -0.086 0.000 1.101 334 Y CB 1.719 40.105 38.460 -0.122 0.000 1.221 334 Y HN 1.150 nan 8.280 nan 0.000 0.460 335 S N 0.700 116.417 115.700 0.028 0.000 2.565 335 S HA 0.621 5.092 4.470 0.001 0.000 0.274 335 S C -0.306 174.391 174.600 0.162 0.000 1.144 335 S CA -0.171 58.042 58.200 0.021 0.000 0.849 335 S CB 0.948 64.135 63.200 -0.021 0.000 1.103 335 S HN 1.405 nan 8.310 nan 0.000 0.455 336 A N 2.835 125.801 122.820 0.243 0.000 2.147 336 A HA 0.222 4.543 4.320 0.001 0.000 0.211 336 A C 1.817 179.457 177.584 0.093 0.000 1.160 336 A CA 0.756 52.897 52.037 0.173 0.000 0.781 336 A CB -0.195 18.890 19.000 0.140 0.000 0.842 336 A HN 0.805 nan 8.150 nan 0.000 0.475 337 R N -1.127 119.422 120.500 0.082 0.000 2.306 337 R HA 0.109 4.450 4.340 0.001 0.000 0.183 337 R C 0.094 176.419 176.300 0.041 0.000 0.937 337 R CA 0.179 56.310 56.100 0.051 0.000 1.118 337 R CB -0.944 29.381 30.300 0.042 0.000 1.224 337 R HN 0.259 nan 8.270 nan 0.000 0.597 338 N N 1.845 120.567 118.700 0.036 0.000 2.359 338 N HA -0.094 4.647 4.740 0.001 0.000 0.261 338 N C 0.472 176.001 175.510 0.033 0.000 1.267 338 N CA 0.168 53.235 53.050 0.028 0.000 0.864 338 N CB 0.862 39.356 38.487 0.012 0.000 1.063 338 N HN 0.086 nan 8.380 nan 0.000 0.474 339 R N 1.363 121.887 120.500 0.040 0.000 2.300 339 R HA 0.204 4.544 4.340 0.001 0.000 0.199 339 R C 1.120 177.454 176.300 0.057 0.000 0.920 339 R CA 0.479 56.605 56.100 0.043 0.000 1.046 339 R CB -0.121 30.207 30.300 0.048 0.000 0.984 339 R HN 0.628 nan 8.270 nan 0.000 0.493 340 S N -0.418 115.321 115.700 0.065 0.000 2.461 340 S HA 0.151 4.622 4.470 0.001 0.000 0.228 340 S C 0.957 175.603 174.600 0.077 0.000 1.005 340 S CA 0.379 58.630 58.200 0.083 0.000 0.942 340 S CB -0.002 63.248 63.200 0.085 0.000 0.776 340 S HN 0.319 nan 8.310 nan 0.000 0.514 341 A N 2.511 125.364 122.820 0.056 0.000 2.491 341 A HA 0.391 4.712 4.320 0.001 0.000 0.261 341 A C 1.263 178.889 177.584 0.070 0.000 1.101 341 A CA -0.104 51.968 52.037 0.057 0.000 0.772 341 A CB 0.052 19.073 19.000 0.034 0.000 1.043 341 A HN 0.407 nan 8.150 nan 0.000 0.501 342 S N 2.090 117.858 115.700 0.114 0.000 2.607 342 S HA 0.150 4.621 4.470 0.001 0.000 0.224 342 S C 0.360 175.023 174.600 0.106 0.000 0.969 342 S CA 0.418 58.715 58.200 0.161 0.000 0.927 342 S CB -0.485 62.907 63.200 0.319 0.000 0.772 342 S HN 0.570 nan 8.310 nan 0.000 0.533 343 I N 1.747 122.365 120.570 0.080 0.000 2.493 343 I HA 0.402 4.573 4.170 0.001 0.000 0.279 343 I C -0.163 175.981 176.117 0.046 0.000 1.045 343 I CA -0.546 60.783 61.300 0.048 0.000 1.106 343 I CB 1.336 39.397 38.000 0.101 0.000 1.216 343 I HN -0.001 nan 8.210 nan 0.000 0.459 344 R N 5.679 126.167 120.500 -0.020 0.000 2.404 344 R HA 0.539 4.880 4.340 0.001 0.000 0.291 344 R C -0.730 175.599 176.300 0.047 0.000 1.025 344 R CA -0.710 55.395 56.100 0.009 0.000 0.991 344 R CB 1.780 32.053 30.300 -0.045 0.000 1.053 344 R HN 0.455 nan 8.270 nan 0.000 0.479 345 I N 5.840 126.476 120.570 0.111 0.000 2.330 345 I HA 0.282 4.453 4.170 0.001 0.000 0.286 345 I C -2.132 174.048 176.117 0.105 0.000 1.025 345 I CA -3.047 58.334 61.300 0.136 0.000 1.197 345 I CB 1.078 39.228 38.000 0.250 0.000 1.358 345 I HN 0.190 nan 8.210 nan 0.000 0.467 346 P HA 0.023 nan 4.420 nan 0.000 0.261 346 P C -0.083 177.244 177.300 0.045 0.000 1.203 346 P CA 0.029 63.177 63.100 0.079 0.000 0.767 346 P CB 0.416 32.173 31.700 0.094 0.000 0.785 347 V N 6.023 125.956 119.914 0.032 0.000 2.415 347 V HA 0.165 4.286 4.120 0.001 0.000 0.267 347 V C 0.574 176.667 176.094 -0.002 0.000 1.042 347 V CA 0.258 62.560 62.300 0.003 0.000 1.000 347 V CB 0.884 32.704 31.823 -0.005 0.000 1.015 347 V HN 0.313 nan 8.190 nan 0.000 0.478 348 V N 4.877 124.784 119.914 -0.012 0.000 2.925 348 V HA 0.772 4.893 4.120 0.001 0.000 0.311 348 V C 0.852 176.932 176.094 -0.022 0.000 1.104 348 V CA 0.200 62.491 62.300 -0.016 0.000 0.954 348 V CB 2.152 33.962 31.823 -0.021 0.000 1.022 348 V HN 0.805 nan 8.190 nan 0.000 0.427 349 A N 3.885 126.692 122.820 -0.021 0.000 1.836 349 A HA -0.047 4.274 4.320 0.001 0.000 0.215 349 A C 1.535 179.105 177.584 -0.022 0.000 1.214 349 A CA 1.941 53.966 52.037 -0.020 0.000 0.636 349 A CB -0.848 18.142 19.000 -0.017 0.000 0.847 349 A HN 1.310 nan 8.150 nan 0.000 0.451 350 S N 0.216 115.902 115.700 -0.023 0.000 2.533 350 S HA 0.285 4.756 4.470 0.001 0.000 0.282 350 S C -1.596 172.986 174.600 -0.029 0.000 1.304 350 S CA -0.949 57.237 58.200 -0.025 0.000 1.063 350 S CB 0.725 63.911 63.200 -0.024 0.000 0.881 350 S HN 0.157 nan 8.310 nan 0.000 0.493 351 P HA -0.011 nan 4.420 nan 0.000 0.222 351 P C 1.300 178.579 177.300 -0.034 0.000 1.147 351 P CA 0.588 63.673 63.100 -0.024 0.000 0.790 351 P CB 0.186 31.875 31.700 -0.018 0.000 0.780 352 K N -0.271 120.106 120.400 -0.039 0.000 2.211 352 K HA -0.027 4.294 4.320 0.001 0.000 0.204 352 K C 1.468 178.012 176.600 -0.093 0.000 1.047 352 K CA 1.232 57.486 56.287 -0.055 0.000 0.935 352 K CB -0.535 31.940 32.500 -0.041 0.000 0.728 352 K HN 0.075 nan 8.250 nan 0.000 0.452 353 A N 0.789 123.556 122.820 -0.088 0.000 2.500 353 A HA 0.128 4.448 4.320 0.001 0.000 0.267 353 A C 0.477 177.995 177.584 -0.110 0.000 1.290 353 A CA -0.333 51.628 52.037 -0.126 0.000 0.928 353 A CB -0.032 18.907 19.000 -0.101 0.000 1.066 353 A HN 0.051 nan 8.150 nan 0.000 0.516 354 R N 1.420 121.875 120.500 -0.074 0.000 2.438 354 R HA 0.477 4.818 4.340 0.001 0.000 0.287 354 R C 0.464 176.746 176.300 -0.030 0.000 1.077 354 R CA 0.182 56.266 56.100 -0.028 0.000 1.034 354 R CB 0.347 30.653 30.300 0.010 0.000 0.993 354 R HN 0.714 nan 8.270 nan 0.000 0.459 355 R N 3.397 123.906 120.500 0.014 0.000 2.921 355 R HA 0.373 4.713 4.340 0.001 0.000 0.268 355 R C -1.257 175.089 176.300 0.076 0.000 1.008 355 R CA -0.914 55.196 56.100 0.017 0.000 0.876 355 R CB 0.530 30.750 30.300 -0.133 0.000 1.395 355 R HN 0.559 nan 8.270 nan 0.000 0.443 356 I N -2.385 118.207 120.570 0.038 0.000 2.785 356 I HA 0.601 4.772 4.170 0.001 0.000 0.302 356 I C -0.933 175.141 176.117 -0.072 0.000 1.069 356 I CA -0.840 60.469 61.300 0.014 0.000 1.045 356 I CB 2.500 40.513 38.000 0.021 0.000 1.236 356 I HN 0.697 nan 8.210 nan 0.000 0.429 357 E N 4.104 124.227 120.200 -0.129 0.000 2.186 357 E HA 0.402 4.753 4.350 0.001 0.000 0.255 357 E C -1.601 174.845 176.600 -0.257 0.000 0.881 357 E CA -0.705 55.492 56.400 -0.338 0.000 0.752 357 E CB 2.051 31.428 29.700 -0.539 0.000 1.176 357 E HN 0.619 nan 8.360 nan 0.000 0.421 358 V N 6.130 125.897 119.914 -0.244 0.000 2.372 358 V HA 0.177 4.297 4.120 0.001 0.000 0.261 358 V C 1.242 177.146 176.094 -0.317 0.000 1.055 358 V CA 0.008 62.151 62.300 -0.262 0.000 0.930 358 V CB 0.734 32.370 31.823 -0.311 0.000 1.031 358 V HN 0.691 nan 8.190 nan 0.000 0.479 359 R N 3.363 123.711 120.500 -0.253 0.000 2.297 359 R HA 0.052 4.393 4.340 0.001 0.000 0.197 359 R C 1.682 178.020 176.300 0.063 0.000 0.943 359 R CA 0.708 56.696 56.100 -0.186 0.000 1.038 359 R CB -0.005 30.098 30.300 -0.329 0.000 0.957 359 R HN 0.880 nan 8.270 nan 0.000 0.484 360 F N 0.019 120.027 119.950 0.098 0.000 2.512 360 F HA 0.326 4.853 4.527 0.001 0.000 0.296 360 F C -1.560 174.310 175.800 0.116 0.000 1.110 360 F CA -1.318 56.747 58.000 0.108 0.000 1.446 360 F CB -1.442 37.614 39.000 0.093 0.000 1.092 360 F HN -0.270 nan 8.300 nan 0.000 0.554 361 P HA 0.060 nan 4.420 nan 0.000 0.268 361 P C -0.920 176.467 177.300 0.145 0.000 1.208 361 P CA 0.315 63.498 63.100 0.139 0.000 0.777 361 P CB 0.714 32.448 31.700 0.057 0.000 0.875 362 D N 0.975 121.454 120.400 0.133 0.000 2.493 362 D HA 0.378 5.019 4.640 0.001 0.000 0.239 362 D C -2.400 173.963 176.300 0.106 0.000 1.049 362 D CA -2.081 51.986 54.000 0.112 0.000 1.008 362 D CB 0.128 40.986 40.800 0.097 0.000 1.398 362 D HN 0.007 nan 8.370 nan 0.000 0.513 363 P HA 0.013 nan 4.420 nan 0.000 0.228 363 P C 0.861 178.200 177.300 0.065 0.000 1.151 363 P CA 1.114 64.276 63.100 0.104 0.000 0.770 363 P CB 0.054 31.932 31.700 0.296 0.000 0.786 364 A N -0.421 122.461 122.820 0.103 0.000 2.167 364 A HA 0.281 4.602 4.320 0.001 0.000 0.214 364 A C 1.305 178.930 177.584 0.068 0.000 1.151 364 A CA 0.399 52.492 52.037 0.092 0.000 0.735 364 A CB -1.033 18.029 19.000 0.102 0.000 0.802 364 A HN 0.237 nan 8.150 nan 0.000 0.467 365 A N 0.837 123.692 122.820 0.059 0.000 2.462 365 A HA 0.327 4.648 4.320 0.001 0.000 0.243 365 A C 0.423 177.997 177.584 -0.017 0.000 1.076 365 A CA -0.380 51.693 52.037 0.059 0.000 0.773 365 A CB -0.117 18.924 19.000 0.070 0.000 1.010 365 A HN 0.379 nan 8.150 nan 0.000 0.493 366 N N 3.681 122.397 118.700 0.026 0.000 2.416 366 N HA 0.070 4.811 4.740 0.001 0.000 0.265 366 N C -1.296 174.082 175.510 -0.221 0.000 1.195 366 N CA -1.840 51.200 53.050 -0.017 0.000 0.943 366 N CB 0.952 39.515 38.487 0.126 0.000 1.115 366 N HN 0.344 nan 8.380 nan 0.000 0.481 367 P HA -0.202 nan 4.420 nan 0.000 0.216 367 P C 0.774 177.376 177.300 -1.162 0.000 1.153 367 P CA 1.608 64.039 63.100 -1.115 0.000 0.858 367 P CB 0.035 31.053 31.700 -1.137 0.000 0.789 368 Y N 0.213 120.241 120.300 -0.453 0.000 2.089 368 Y HA -0.139 4.412 4.550 0.001 0.000 0.282 368 Y C 2.899 178.716 175.900 -0.139 0.000 1.139 368 Y CA 0.926 58.872 58.100 -0.257 0.000 1.123 368 Y CB -1.433 36.952 38.460 -0.125 0.000 0.980 368 Y HN -0.240 nan 8.280 nan 0.000 0.493 369 L N -1.091 120.197 121.223 0.109 0.000 2.083 369 L HA -0.254 4.086 4.340 0.001 0.000 0.209 369 L C 2.696 179.653 176.870 0.145 0.000 1.083 369 L CA 1.212 56.144 54.840 0.153 0.000 0.752 369 L CB -0.879 41.239 42.059 0.099 0.000 0.899 369 L HN 0.480 nan 8.230 nan 0.000 0.433 370 C N 0.261 119.591 119.300 0.051 0.000 2.453 370 C HA -0.168 4.292 4.460 0.001 0.000 0.277 370 C C 2.781 177.958 174.990 0.312 0.000 1.262 370 C CA 0.478 59.584 59.018 0.145 0.000 1.718 370 C CB -0.915 26.882 27.740 0.094 0.000 2.031 370 C HN 0.438 nan 8.230 nan 0.000 0.480 371 F N 1.378 121.305 119.950 -0.038 0.000 2.102 371 F HA -0.115 4.413 4.527 0.001 0.000 0.298 371 F C 2.801 178.595 175.800 -0.010 0.000 1.105 371 F CA 0.940 58.793 58.000 -0.246 0.000 1.239 371 F CB -0.733 37.780 39.000 -0.811 0.000 0.991 371 F HN 0.343 nan 8.300 nan 0.000 0.474 372 A N 0.513 123.484 122.820 0.251 0.000 1.883 372 A HA -0.205 4.115 4.320 0.001 0.000 0.217 372 A C 2.349 180.128 177.584 0.325 0.000 1.186 372 A CA 1.930 54.133 52.037 0.276 0.000 0.624 372 A CB -1.216 17.933 19.000 0.248 0.000 0.822 372 A HN 0.360 nan 8.150 nan 0.000 0.444 373 A N -0.900 122.098 122.820 0.296 0.000 1.933 373 A HA -0.030 4.290 4.320 0.001 0.000 0.218 373 A C 2.046 179.829 177.584 0.331 0.000 1.175 373 A CA 1.714 53.873 52.037 0.203 0.000 0.628 373 A CB -0.505 18.561 19.000 0.110 0.000 0.814 373 A HN 0.403 nan 8.150 nan 0.000 0.444 374 L N -0.432 121.016 121.223 0.375 0.000 2.017 374 L HA -0.127 4.214 4.340 0.001 0.000 0.208 374 L C 2.465 179.544 176.870 0.348 0.000 1.073 374 L CA 1.505 56.578 54.840 0.389 0.000 0.745 374 L CB -1.156 41.200 42.059 0.494 0.000 0.894 374 L HN 0.461 nan 8.230 nan 0.000 0.432 375 L N -1.327 120.164 121.223 0.446 0.000 1.970 375 L HA -0.279 4.062 4.340 0.001 0.000 0.212 375 L C 2.561 179.570 176.870 0.232 0.000 1.071 375 L CA 1.511 56.592 54.840 0.403 0.000 0.751 375 L CB -0.202 42.127 42.059 0.451 0.000 0.889 375 L HN 0.263 nan 8.230 nan 0.000 0.432 376 M N -0.568 119.187 119.600 0.259 0.000 2.195 376 M HA -0.221 4.260 4.480 0.001 0.000 0.260 376 M C 2.351 178.846 176.300 0.325 0.000 1.066 376 M CA 1.919 57.358 55.300 0.232 0.000 1.089 376 M CB -1.557 31.104 32.600 0.101 0.000 1.377 376 M HN 0.396 nan 8.290 nan 0.000 0.411 377 A N 0.043 123.064 122.820 0.335 0.000 1.897 377 A HA 0.094 4.415 4.320 0.001 0.000 0.215 377 A C 2.476 180.018 177.584 -0.068 0.000 1.181 377 A CA 1.700 53.814 52.037 0.127 0.000 0.620 377 A CB -1.311 17.728 19.000 0.065 0.000 0.821 377 A HN 0.492 nan 8.150 nan 0.000 0.443 378 G N -0.095 108.487 108.800 -0.363 0.000 2.418 378 G HA2 -0.144 3.817 3.960 0.001 0.000 0.217 378 G HA3 -0.144 3.817 3.960 0.001 0.000 0.217 378 G C 1.526 176.182 174.900 -0.406 0.000 1.158 378 G CA 0.997 45.497 45.100 -1.001 0.000 0.771 378 G HN 0.414 nan 8.290 nan 0.000 0.545 379 L N 0.259 121.422 121.223 -0.098 0.000 2.093 379 L HA -0.034 4.306 4.340 0.001 0.000 0.208 379 L C 2.431 179.377 176.870 0.126 0.000 1.085 379 L CA 1.475 56.389 54.840 0.124 0.000 0.755 379 L CB -0.343 41.881 42.059 0.276 0.000 0.904 379 L HN 0.236 nan 8.230 nan 0.000 0.435 380 D N -0.098 120.376 120.400 0.124 0.000 2.269 380 D HA -0.107 4.534 4.640 0.001 0.000 0.208 380 D C 2.080 178.417 176.300 0.061 0.000 0.963 380 D CA 1.012 55.093 54.000 0.135 0.000 0.864 380 D CB 0.193 41.115 40.800 0.203 0.000 0.936 380 D HN 0.210 nan 8.370 nan 0.000 0.505 381 G N -0.067 108.739 108.800 0.010 0.000 2.408 381 G HA2 -0.093 3.868 3.960 0.001 0.000 0.215 381 G HA3 -0.093 3.868 3.960 0.001 0.000 0.215 381 G C 1.620 176.520 174.900 -0.000 0.000 1.156 381 G CA 0.205 45.289 45.100 -0.026 0.000 0.793 381 G HN 0.288 nan 8.290 nan 0.000 0.535 382 I N 0.172 120.788 120.570 0.075 0.000 2.162 382 I HA -0.065 4.106 4.170 0.001 0.000 0.238 382 I C 2.743 178.886 176.117 0.043 0.000 1.076 382 I CA 0.878 62.261 61.300 0.138 0.000 1.353 382 I CB -0.117 38.000 38.000 0.196 0.000 1.063 382 I HN 0.022 nan 8.210 nan 0.000 0.408 383 K N 0.745 121.178 120.400 0.056 0.000 2.127 383 K HA -0.181 4.140 4.320 0.001 0.000 0.208 383 K C 0.925 177.513 176.600 -0.020 0.000 1.047 383 K CA 1.467 57.777 56.287 0.038 0.000 0.927 383 K CB -0.328 32.219 32.500 0.078 0.000 0.716 383 K HN 0.501 nan 8.250 nan 0.000 0.450 384 N N 0.751 119.415 118.700 -0.060 0.000 2.273 384 N HA 0.037 4.777 4.740 0.001 0.000 0.231 384 N C -0.909 174.442 175.510 -0.265 0.000 1.134 384 N CA -0.098 52.885 53.050 -0.112 0.000 0.856 384 N CB 0.669 39.121 38.487 -0.059 0.000 1.068 384 N HN 0.006 nan 8.380 nan 0.000 0.510 385 K N 1.197 121.305 120.400 -0.486 0.000 3.213 385 K HA -0.188 4.133 4.320 0.001 0.000 0.266 385 K C -0.269 175.800 176.600 -0.885 0.000 0.911 385 K CA 0.732 56.273 56.287 -1.244 0.000 0.684 385 K CB -1.737 30.260 32.500 -0.838 0.000 1.402 385 K HN 0.487 nan 8.250 nan 0.000 0.465 386 I N 1.915 122.211 120.570 -0.455 0.000 2.483 386 I HA -0.013 4.158 4.170 0.001 0.000 0.291 386 I C 1.380 177.520 176.117 0.039 0.000 1.112 386 I CA -0.090 61.118 61.300 -0.153 0.000 1.350 386 I CB 0.021 37.953 38.000 -0.113 0.000 1.419 386 I HN 0.137 nan 8.210 nan 0.000 0.523 387 H N 9.721 128.818 119.070 0.043 0.000 2.848 387 H HA 0.109 4.666 4.556 0.001 0.000 0.317 387 H C -1.446 173.929 175.328 0.079 0.000 1.046 387 H CA -1.234 54.911 56.048 0.162 0.000 1.470 387 H CB 1.512 31.358 29.762 0.140 0.000 1.483 387 H HN 0.447 nan 8.280 nan 0.000 0.548 388 P HA 0.046 nan 4.420 nan 0.000 0.247 388 P C 0.752 178.105 177.300 0.090 0.000 1.225 388 P CA 0.840 63.857 63.100 -0.137 0.000 0.768 388 P CB 0.282 31.741 31.700 -0.401 0.000 1.020 389 G N 0.719 109.623 108.800 0.173 0.000 2.598 389 G HA2 -0.247 3.714 3.960 0.001 0.000 0.244 389 G HA3 -0.247 3.714 3.960 0.001 0.000 0.244 389 G C -0.766 174.291 174.900 0.262 0.000 1.302 389 G CA -0.229 45.043 45.100 0.287 0.000 0.903 389 G HN 0.396 nan 8.290 nan 0.000 0.575 390 E N 1.220 121.477 120.200 0.096 0.000 2.248 390 E HA 0.662 5.013 4.350 0.001 0.000 0.272 390 E C -1.974 174.381 176.600 -0.409 0.000 1.008 390 E CA -1.492 54.872 56.400 -0.060 0.000 0.856 390 E CB 0.949 30.624 29.700 -0.042 0.000 1.120 390 E HN 0.378 nan 8.360 nan 0.000 0.397 391 P HA 0.098 nan 4.420 nan 0.000 0.272 391 P C -0.618 176.365 177.300 -0.528 0.000 1.223 391 P CA -0.137 62.266 63.100 -1.161 0.000 0.784 391 P CB 0.412 31.389 31.700 -1.205 0.000 0.923 392 M N 2.095 121.442 119.600 -0.422 0.000 3.371 392 M HA 0.155 4.635 4.480 0.001 0.000 0.212 392 M C -0.327 175.898 176.300 -0.125 0.000 1.200 392 M CA 0.145 55.323 55.300 -0.203 0.000 1.211 392 M CB -1.009 31.507 32.600 -0.140 0.000 1.210 392 M HN 0.081 nan 8.290 nan 0.000 0.601 393 D N -0.083 120.256 120.400 -0.102 0.000 2.349 393 D HA -0.031 4.610 4.640 0.001 0.000 0.224 393 D C 1.267 177.554 176.300 -0.022 0.000 1.029 393 D CA 0.465 54.446 54.000 -0.032 0.000 0.879 393 D CB 0.460 41.270 40.800 0.016 0.000 0.906 393 D HN 0.251 nan 8.370 nan 0.000 0.528 394 K N 0.312 120.690 120.400 -0.037 0.000 2.005 394 K HA 0.145 4.465 4.320 0.001 0.000 0.214 394 K C 0.637 177.227 176.600 -0.017 0.000 1.030 394 K CA 0.589 56.860 56.287 -0.027 0.000 0.955 394 K CB -0.173 32.304 32.500 -0.038 0.000 0.767 394 K HN 0.061 nan 8.250 nan 0.000 0.446 395 N N -0.446 118.242 118.700 -0.020 0.000 3.134 395 N HA 0.073 4.814 4.740 0.001 0.000 0.235 395 N C -1.283 174.223 175.510 -0.006 0.000 1.092 395 N CA -0.424 52.622 53.050 -0.007 0.000 1.038 395 N CB 0.876 39.358 38.487 -0.010 0.000 1.684 395 N HN -0.103 nan 8.380 nan 0.000 0.551 396 L N 1.035 122.270 121.223 0.020 0.000 2.484 396 L HA -0.051 4.289 4.340 0.001 0.000 0.297 396 L C 1.483 178.392 176.870 0.064 0.000 1.292 396 L CA 0.379 55.252 54.840 0.055 0.000 0.827 396 L CB -0.371 41.734 42.059 0.078 0.000 1.077 396 L HN 0.649 nan 8.230 nan 0.000 0.560 397 Y N 0.043 120.331 120.300 -0.019 0.000 2.556 397 Y HA -0.187 4.363 4.550 0.001 0.000 0.290 397 Y C 1.894 177.755 175.900 -0.065 0.000 1.149 397 Y CA 1.398 59.481 58.100 -0.027 0.000 1.329 397 Y CB -0.558 37.900 38.460 -0.003 0.000 0.975 397 Y HN 0.713 nan 8.280 nan 0.000 0.561 398 D N -0.118 120.315 120.400 0.056 0.000 2.350 398 D HA -0.096 4.545 4.640 0.001 0.000 0.216 398 D C 0.684 176.946 176.300 -0.063 0.000 0.968 398 D CA 0.689 54.621 54.000 -0.113 0.000 0.894 398 D CB -0.068 40.486 40.800 -0.409 0.000 0.909 398 D HN 0.335 nan 8.370 nan 0.000 0.520 399 L N 2.667 123.877 121.223 -0.022 0.000 2.583 399 L HA 0.167 4.508 4.340 0.001 0.000 0.239 399 L C -2.044 174.809 176.870 -0.029 0.000 1.347 399 L CA -1.471 53.349 54.840 -0.034 0.000 1.246 399 L CB -0.555 41.478 42.059 -0.044 0.000 1.496 399 L HN -0.270 nan 8.230 nan 0.000 0.413 400 P HA -0.091 nan 4.420 nan 0.000 0.273 400 P C -2.302 174.980 177.300 -0.030 0.000 1.237 400 P CA -0.788 62.377 63.100 0.108 0.000 0.813 400 P CB -0.727 31.036 31.700 0.104 0.000 0.930 401 P HA -0.188 nan 4.420 nan 0.000 0.200 401 P C 0.218 177.467 177.300 -0.084 0.000 0.924 401 P CA 1.235 64.291 63.100 -0.072 0.000 1.021 401 P CB -0.770 30.951 31.700 0.035 0.000 1.047 402 E N 2.266 122.383 120.200 -0.139 0.000 2.431 402 E HA -0.037 4.314 4.350 0.001 0.000 0.200 402 E C 1.033 177.581 176.600 -0.085 0.000 0.995 402 E CA 0.247 56.587 56.400 -0.099 0.000 0.915 402 E CB 0.436 30.071 29.700 -0.109 0.000 0.930 402 E HN 0.556 nan 8.360 nan 0.000 0.496 403 E N -0.793 119.345 120.200 -0.104 0.000 3.042 403 E HA 0.185 4.535 4.350 0.001 0.000 0.144 403 E C 0.327 176.876 176.600 -0.084 0.000 0.893 403 E CA 0.604 56.957 56.400 -0.078 0.000 1.422 403 E CB 0.210 29.864 29.700 -0.075 0.000 0.997 403 E HN 0.089 nan 8.360 nan 0.000 0.420 404 A N 1.416 124.178 122.820 -0.097 0.000 3.601 404 A HA -0.255 4.066 4.320 0.001 0.000 0.266 404 A C 0.631 178.068 177.584 -0.245 0.000 1.077 404 A CA 1.400 53.396 52.037 -0.069 0.000 1.228 404 A CB -1.633 17.369 19.000 0.005 0.000 1.099 404 A HN 0.254 nan 8.150 nan 0.000 0.916 405 K N -0.704 119.485 120.400 -0.352 0.000 3.653 405 K HA -0.156 4.164 4.320 0.001 0.000 0.275 405 K C -0.412 176.010 176.600 -0.296 0.000 0.962 405 K CA 1.174 57.150 56.287 -0.519 0.000 0.773 405 K CB -1.397 30.462 32.500 -1.067 0.000 1.463 405 K HN 0.774 nan 8.250 nan 0.000 0.450 406 E N 1.083 121.218 120.200 -0.108 0.000 2.346 406 E HA 0.112 4.463 4.350 0.001 0.000 0.317 406 E C 0.707 177.307 176.600 -0.002 0.000 1.404 406 E CA -0.104 56.294 56.400 -0.004 0.000 1.534 406 E CB -0.038 29.663 29.700 0.003 0.000 1.309 406 E HN 0.234 nan 8.360 nan 0.000 0.499 407 I N 2.039 122.616 120.570 0.012 0.000 2.396 407 I HA 0.214 4.385 4.170 0.001 0.000 0.292 407 I C -1.877 174.272 176.117 0.053 0.000 0.999 407 I CA -2.657 58.656 61.300 0.021 0.000 1.310 407 I CB 0.456 38.467 38.000 0.018 0.000 1.404 407 I HN -0.124 nan 8.210 nan 0.000 0.496 408 P HA 0.124 nan 4.420 nan 0.000 0.265 408 P C -0.613 176.706 177.300 0.032 0.000 1.193 408 P CA 0.168 63.282 63.100 0.024 0.000 0.765 408 P CB 0.586 32.289 31.700 0.004 0.000 0.823 409 Q N 0.381 120.194 119.800 0.021 0.000 2.496 409 Q HA 0.499 4.840 4.340 0.001 0.000 0.286 409 Q C -0.335 175.643 176.000 -0.036 0.000 1.103 409 Q CA -1.325 54.484 55.803 0.012 0.000 0.813 409 Q CB 1.882 30.640 28.738 0.033 0.000 1.444 409 Q HN 0.299 nan 8.270 nan 0.000 0.443 410 V N -1.016 118.858 119.914 -0.067 0.000 3.319 410 V HA 0.541 4.662 4.120 0.001 0.000 0.303 410 V C 0.262 176.332 176.094 -0.039 0.000 1.094 410 V CA -0.690 61.528 62.300 -0.137 0.000 1.106 410 V CB 0.144 31.837 31.823 -0.217 0.000 1.099 410 V HN 0.851 nan 8.190 nan 0.000 0.476 411 A N 1.905 124.714 122.820 -0.018 0.000 2.531 411 A HA 0.475 4.796 4.320 0.001 0.000 0.236 411 A C 1.380 178.962 177.584 -0.003 0.000 1.062 411 A CA 0.339 52.365 52.037 -0.017 0.000 0.760 411 A CB -0.166 18.819 19.000 -0.025 0.000 0.995 411 A HN 1.791 nan 8.150 nan 0.000 0.501 412 G N 0.288 109.033 108.800 -0.092 0.000 3.088 412 G HA2 0.403 4.364 3.960 0.001 0.000 0.217 412 G HA3 0.403 4.364 3.960 0.001 0.000 0.217 412 G C 0.401 175.169 174.900 -0.220 0.000 1.159 412 G CA 0.882 45.945 45.100 -0.062 0.000 0.760 412 G HN 1.639 nan 8.290 nan 0.000 0.550 413 S N -1.662 113.678 115.700 -0.600 0.000 2.587 413 S HA 0.358 4.829 4.470 0.001 0.000 0.269 413 S C 0.266 174.192 174.600 -1.123 0.000 1.154 413 S CA -0.591 57.129 58.200 -0.800 0.000 0.824 413 S CB 1.134 64.149 63.200 -0.307 0.000 1.118 413 S HN 0.082 nan 8.310 nan 0.000 0.462 414 L N 1.535 122.300 121.223 -0.763 0.000 2.056 414 L HA 0.184 4.525 4.340 0.001 0.000 0.207 414 L C 2.515 179.303 176.870 -0.136 0.000 1.078 414 L CA 2.444 57.125 54.840 -0.265 0.000 0.749 414 L CB -0.994 41.113 42.059 0.080 0.000 0.901 414 L HN 1.026 nan 8.230 nan 0.000 0.433 415 E N -0.533 119.594 120.200 -0.121 0.000 2.130 415 E HA -0.336 4.014 4.350 0.001 0.000 0.196 415 E C 2.075 178.636 176.600 -0.065 0.000 0.998 415 E CA 1.746 58.107 56.400 -0.065 0.000 0.806 415 E CB -0.126 29.538 29.700 -0.060 0.000 0.738 415 E HN 0.725 nan 8.360 nan 0.000 0.459 416 E N -0.403 119.726 120.200 -0.117 0.000 2.107 416 E HA -0.144 4.207 4.350 0.001 0.000 0.191 416 E C 1.916 178.484 176.600 -0.054 0.000 0.982 416 E CA 0.854 57.200 56.400 -0.090 0.000 0.809 416 E CB -0.117 29.509 29.700 -0.123 0.000 0.756 416 E HN 0.311 nan 8.360 nan 0.000 0.459 417 A N 1.212 123.992 122.820 -0.066 0.000 1.898 417 A HA -0.100 4.221 4.320 0.001 0.000 0.216 417 A C 2.200 179.828 177.584 0.073 0.000 1.181 417 A CA 0.923 52.981 52.037 0.035 0.000 0.620 417 A CB -0.585 18.492 19.000 0.128 0.000 0.819 417 A HN 0.307 nan 8.150 nan 0.000 0.442 418 L N -0.811 120.451 121.223 0.064 0.000 2.046 418 L HA -0.217 4.123 4.340 0.001 0.000 0.208 418 L C 2.451 179.357 176.870 0.059 0.000 1.077 418 L CA 1.755 56.647 54.840 0.086 0.000 0.747 418 L CB -0.715 41.385 42.059 0.068 0.000 0.896 418 L HN 0.501 nan 8.230 nan 0.000 0.432 419 N N -0.126 118.592 118.700 0.031 0.000 2.043 419 N HA -0.203 4.537 4.740 0.001 0.000 0.193 419 N C 1.908 177.438 175.510 0.034 0.000 1.037 419 N CA 1.604 54.669 53.050 0.024 0.000 0.851 419 N CB -0.123 38.368 38.487 0.006 0.000 1.027 419 N HN 0.311 nan 8.380 nan 0.000 0.422 420 A N 0.580 123.422 122.820 0.037 0.000 1.892 420 A HA -0.184 4.137 4.320 0.001 0.000 0.218 420 A C 2.127 179.756 177.584 0.075 0.000 1.188 420 A CA 1.454 53.522 52.037 0.053 0.000 0.631 420 A CB -1.017 18.014 19.000 0.052 0.000 0.822 420 A HN 0.400 nan 8.150 nan 0.000 0.447 421 L N 0.173 121.441 121.223 0.075 0.000 2.083 421 L HA -0.171 4.170 4.340 0.001 0.000 0.209 421 L C 1.978 178.866 176.870 0.028 0.000 1.083 421 L CA 2.810 57.684 54.840 0.056 0.000 0.752 421 L CB -0.638 41.453 42.059 0.053 0.000 0.899 421 L HN 0.494 nan 8.230 nan 0.000 0.433 422 D N -0.556 119.867 120.400 0.039 0.000 2.087 422 D HA -0.219 4.422 4.640 0.001 0.000 0.192 422 D C 2.079 178.394 176.300 0.025 0.000 0.993 422 D CA 2.251 56.269 54.000 0.029 0.000 0.828 422 D CB -0.196 40.624 40.800 0.033 0.000 0.968 422 D HN 0.438 nan 8.370 nan 0.000 0.448 423 L N -0.244 121.001 121.223 0.036 0.000 2.007 423 L HA -0.069 4.272 4.340 0.001 0.000 0.205 423 L C 1.665 178.571 176.870 0.060 0.000 1.073 423 L CA 1.163 56.028 54.840 0.040 0.000 0.744 423 L CB -0.600 41.482 42.059 0.039 0.000 0.898 423 L HN 0.006 nan 8.230 nan 0.000 0.435 424 D N 0.406 120.862 120.400 0.093 0.000 2.652 424 D HA -0.058 4.583 4.640 0.001 0.000 0.247 424 D C 1.786 178.199 176.300 0.189 0.000 1.232 424 D CA 0.017 54.117 54.000 0.166 0.000 0.863 424 D CB 0.113 41.042 40.800 0.215 0.000 1.023 424 D HN 0.259 nan 8.370 nan 0.000 0.474 425 R N -0.505 120.021 120.500 0.044 0.000 2.236 425 R HA 0.010 4.351 4.340 0.001 0.000 0.208 425 R C 1.177 177.371 176.300 -0.177 0.000 1.036 425 R CA 0.346 56.377 56.100 -0.114 0.000 1.001 425 R CB -0.084 30.151 30.300 -0.110 0.000 0.896 425 R HN -0.025 nan 8.270 nan 0.000 0.464 426 E N 1.791 121.972 120.200 -0.030 0.000 2.097 426 E HA -0.218 4.133 4.350 0.001 0.000 0.196 426 E C 1.789 178.344 176.600 -0.076 0.000 1.000 426 E CA 1.713 58.094 56.400 -0.033 0.000 0.804 426 E CB -0.464 29.258 29.700 0.036 0.000 0.740 426 E HN 0.663 nan 8.360 nan 0.000 0.454 427 F N -0.285 119.530 119.950 -0.226 0.000 2.333 427 F HA -0.121 4.407 4.527 0.001 0.000 0.300 427 F C 1.756 177.411 175.800 -0.242 0.000 1.083 427 F CA 0.560 58.399 58.000 -0.269 0.000 1.395 427 F CB -0.212 38.459 39.000 -0.548 0.000 1.056 427 F HN -0.070 nan 8.300 nan 0.000 0.529 428 L N 1.100 121.710 121.223 -1.021 0.000 2.202 428 L HA 0.056 4.397 4.340 0.001 0.000 0.205 428 L C 2.156 178.845 176.870 -0.302 0.000 1.083 428 L CA 1.127 55.451 54.840 -0.860 0.000 0.790 428 L CB -1.117 40.173 42.059 -1.282 0.000 0.942 428 L HN 0.178 nan 8.230 nan 0.000 0.452 429 K N 0.095 120.345 120.400 -0.249 0.000 2.439 429 K HA 0.116 4.437 4.320 0.001 0.000 0.197 429 K C 0.893 177.417 176.600 -0.127 0.000 1.041 429 K CA 0.339 56.558 56.287 -0.115 0.000 0.970 429 K CB -0.067 32.381 32.500 -0.087 0.000 0.773 429 K HN 0.224 nan 8.250 nan 0.000 0.479 430 A N 1.083 123.793 122.820 -0.184 0.000 2.565 430 A HA 0.290 4.611 4.320 0.001 0.000 0.237 430 A C 1.301 178.649 177.584 -0.392 0.000 1.053 430 A CA 0.841 52.748 52.037 -0.217 0.000 0.755 430 A CB -0.470 18.388 19.000 -0.236 0.000 0.980 430 A HN 0.535 nan 8.150 nan 0.000 0.506 431 G N 1.003 109.713 108.800 -0.149 0.000 2.180 431 G HA2 0.108 4.069 3.960 0.001 0.000 0.263 431 G HA3 0.108 4.069 3.960 0.001 0.000 0.263 431 G C 1.689 176.566 174.900 -0.039 0.000 0.989 431 G CA 1.111 46.211 45.100 -0.001 0.000 0.692 431 G HN 2.837 nan 8.290 nan 0.000 0.526 432 G N -2.276 106.484 108.800 -0.068 0.000 2.203 432 G HA2 -0.173 3.788 3.960 0.001 0.000 0.263 432 G HA3 -0.173 3.788 3.960 0.001 0.000 0.263 432 G C 1.348 176.192 174.900 -0.093 0.000 1.012 432 G CA 1.186 46.251 45.100 -0.058 0.000 0.749 432 G HN 1.457 nan 8.290 nan 0.000 0.512 433 V N -1.007 118.829 119.914 -0.131 0.000 2.223 433 V HA 0.116 4.237 4.120 0.001 0.000 0.244 433 V C 1.451 177.393 176.094 -0.252 0.000 1.045 433 V CA 1.790 63.983 62.300 -0.178 0.000 1.000 433 V CB -0.384 31.349 31.823 -0.150 0.000 0.635 433 V HN 0.319 nan 8.190 nan 0.000 0.445 434 F N 0.550 120.378 119.950 -0.203 0.000 2.420 434 F HA 0.452 4.979 4.527 0.001 0.000 0.342 434 F C 0.707 176.408 175.800 -0.165 0.000 1.113 434 F CA -0.539 57.345 58.000 -0.194 0.000 1.059 434 F CB 1.356 40.212 39.000 -0.240 0.000 1.128 434 F HN 0.075 nan 8.300 nan 0.000 0.475 435 T N -1.172 113.388 114.554 0.010 0.000 2.927 435 T HA 0.217 4.567 4.350 0.001 0.000 0.281 435 T C 0.832 175.537 174.700 0.009 0.000 0.998 435 T CA -0.849 61.241 62.100 -0.017 0.000 1.019 435 T CB 1.347 70.178 68.868 -0.062 0.000 1.061 435 T HN 0.486 nan 8.240 nan 0.000 0.518 436 D N 0.975 121.372 120.400 -0.004 0.000 2.104 436 D HA -0.106 4.535 4.640 0.001 0.000 0.194 436 D C 1.909 178.218 176.300 0.015 0.000 0.994 436 D CA 1.594 55.596 54.000 0.003 0.000 0.830 436 D CB -0.077 40.723 40.800 -0.001 0.000 0.959 436 D HN 0.752 nan 8.370 nan 0.000 0.452 437 E N 1.262 121.465 120.200 0.005 0.000 2.085 437 E HA -0.118 4.233 4.350 0.001 0.000 0.194 437 E C 2.049 178.661 176.600 0.020 0.000 0.994 437 E CA 1.157 57.564 56.400 0.012 0.000 0.801 437 E CB -0.412 29.287 29.700 -0.000 0.000 0.743 437 E HN 0.247 nan 8.360 nan 0.000 0.453 438 A N 0.936 123.751 122.820 -0.009 0.000 1.883 438 A HA -0.186 4.134 4.320 0.001 0.000 0.217 438 A C 2.304 179.955 177.584 0.111 0.000 1.186 438 A CA 1.468 53.506 52.037 0.002 0.000 0.624 438 A CB -0.719 18.244 19.000 -0.063 0.000 0.822 438 A HN 0.210 nan 8.150 nan 0.000 0.444 439 I N -0.246 120.390 120.570 0.110 0.000 2.202 439 I HA -0.211 3.960 4.170 0.001 0.000 0.242 439 I C 1.789 177.988 176.117 0.137 0.000 1.091 439 I CA 1.464 62.830 61.300 0.110 0.000 1.368 439 I CB -0.520 37.492 38.000 0.019 0.000 1.058 439 I HN 0.273 nan 8.210 nan 0.000 0.410 440 D N 1.196 121.653 120.400 0.094 0.000 2.144 440 D HA -0.126 4.515 4.640 0.001 0.000 0.199 440 D C 2.244 178.609 176.300 0.109 0.000 0.984 440 D CA 1.462 55.514 54.000 0.088 0.000 0.834 440 D CB -0.106 40.728 40.800 0.056 0.000 0.955 440 D HN 0.336 nan 8.370 nan 0.000 0.465 441 A N 0.338 123.232 122.820 0.124 0.000 1.877 441 A HA -0.221 4.100 4.320 0.001 0.000 0.216 441 A C 2.198 179.881 177.584 0.165 0.000 1.186 441 A CA 1.249 53.368 52.037 0.136 0.000 0.620 441 A CB -1.068 18.022 19.000 0.151 0.000 0.822 441 A HN 0.321 nan 8.150 nan 0.000 0.443 442 Y N 0.391 120.744 120.300 0.088 0.000 2.114 442 Y HA -0.196 4.355 4.550 0.001 0.000 0.284 442 Y C 2.070 178.015 175.900 0.073 0.000 1.143 442 Y CA 1.926 60.083 58.100 0.095 0.000 1.135 442 Y CB -0.261 38.264 38.460 0.110 0.000 0.980 442 Y HN 0.255 nan 8.280 nan 0.000 0.499 443 I N 0.117 120.824 120.570 0.229 0.000 2.264 443 I HA -0.387 3.784 4.170 0.001 0.000 0.248 443 I C 2.583 178.709 176.117 0.016 0.000 1.111 443 I CA 1.304 62.674 61.300 0.118 0.000 1.382 443 I CB -0.635 37.443 38.000 0.130 0.000 1.060 443 I HN 0.403 nan 8.210 nan 0.000 0.418 444 A N 0.626 123.461 122.820 0.025 0.000 1.897 444 A HA -0.105 4.216 4.320 0.001 0.000 0.215 444 A C 2.281 179.848 177.584 -0.027 0.000 1.181 444 A CA 1.056 53.098 52.037 0.008 0.000 0.620 444 A CB -0.645 18.373 19.000 0.030 0.000 0.821 444 A HN 0.341 nan 8.150 nan 0.000 0.443 445 L N -0.833 120.354 121.223 -0.059 0.000 1.994 445 L HA -0.193 4.148 4.340 0.001 0.000 0.208 445 L C 2.803 179.601 176.870 -0.121 0.000 1.071 445 L CA 1.213 56.000 54.840 -0.089 0.000 0.745 445 L CB -0.453 41.532 42.059 -0.124 0.000 0.892 445 L HN 0.269 nan 8.230 nan 0.000 0.431 446 R N -0.164 120.213 120.500 -0.205 0.000 2.148 446 R HA -0.124 4.217 4.340 0.001 0.000 0.227 446 R C 2.213 178.474 176.300 -0.066 0.000 1.103 446 R CA 0.959 56.961 56.100 -0.163 0.000 0.983 446 R CB -0.683 29.474 30.300 -0.239 0.000 0.874 446 R HN 0.306 nan 8.270 nan 0.000 0.451 447 R N 1.391 121.862 120.500 -0.048 0.000 2.115 447 R HA -0.119 4.222 4.340 0.001 0.000 0.230 447 R C 2.130 178.423 176.300 -0.012 0.000 1.111 447 R CA 1.613 57.703 56.100 -0.016 0.000 0.976 447 R CB 0.051 30.348 30.300 -0.004 0.000 0.870 447 R HN 0.491 nan 8.270 nan 0.000 0.445 448 E N -0.306 119.883 120.200 -0.018 0.000 2.216 448 E HA -0.158 4.193 4.350 0.001 0.000 0.192 448 E C 1.212 177.806 176.600 -0.010 0.000 0.988 448 E CA 0.917 57.311 56.400 -0.010 0.000 0.834 448 E CB 0.022 29.717 29.700 -0.010 0.000 0.772 448 E HN 0.422 nan 8.360 nan 0.000 0.479 449 E N 1.024 121.214 120.200 -0.017 0.000 2.072 449 E HA -0.176 4.175 4.350 0.001 0.000 0.190 449 E C 1.610 178.212 176.600 0.004 0.000 0.982 449 E CA 1.222 57.616 56.400 -0.010 0.000 0.803 449 E CB -0.060 29.629 29.700 -0.018 0.000 0.755 449 E HN 0.248 nan 8.360 nan 0.000 0.453 450 D N 0.936 121.340 120.400 0.007 0.000 2.149 450 D HA -0.181 4.460 4.640 0.001 0.000 0.198 450 D C 1.445 177.754 176.300 0.015 0.000 0.990 450 D CA 1.170 55.180 54.000 0.017 0.000 0.839 450 D CB -0.002 40.806 40.800 0.013 0.000 0.948 450 D HN 0.001 nan 8.370 nan 0.000 0.460 451 D N -0.396 120.009 120.400 0.008 0.000 2.117 451 D HA -0.108 4.532 4.640 0.001 0.000 0.197 451 D C 2.209 178.517 176.300 0.014 0.000 0.987 451 D CA 0.675 54.681 54.000 0.010 0.000 0.829 451 D CB -0.132 40.672 40.800 0.007 0.000 0.961 451 D HN 0.259 nan 8.370 nan 0.000 0.460 452 R N 0.277 120.784 120.500 0.012 0.000 2.091 452 R HA -0.086 4.254 4.340 0.001 0.000 0.238 452 R C 2.325 178.637 176.300 0.020 0.000 1.136 452 R CA 0.821 56.929 56.100 0.014 0.000 0.959 452 R CB -0.464 29.840 30.300 0.006 0.000 0.856 452 R HN 0.158 nan 8.270 nan 0.000 0.437 453 V N 0.674 120.602 119.914 0.023 0.000 2.453 453 V HA -0.170 3.951 4.120 0.001 0.000 0.247 453 V C 2.280 178.405 176.094 0.050 0.000 1.048 453 V CA 1.525 63.847 62.300 0.037 0.000 1.049 453 V CB -0.466 31.383 31.823 0.044 0.000 0.672 453 V HN 0.278 nan 8.190 nan 0.000 0.457 454 R N -0.675 119.847 120.500 0.038 0.000 2.148 454 R HA 0.047 4.388 4.340 0.001 0.000 0.223 454 R C 2.152 178.472 176.300 0.034 0.000 1.088 454 R CA 1.208 57.328 56.100 0.034 0.000 0.985 454 R CB -0.185 30.126 30.300 0.019 0.000 0.880 454 R HN 0.455 nan 8.270 nan 0.000 0.451 455 M N -0.595 119.024 119.600 0.032 0.000 2.476 455 M HA 0.025 4.505 4.480 0.001 0.000 0.262 455 M C 0.212 176.539 176.300 0.045 0.000 1.111 455 M CA 0.694 56.012 55.300 0.031 0.000 1.127 455 M CB 0.590 33.204 32.600 0.024 0.000 1.376 455 M HN -0.153 nan 8.290 nan 0.000 0.465 456 T N 2.649 117.236 114.554 0.054 0.000 2.749 456 T HA 0.297 4.648 4.350 0.001 0.000 0.295 456 T C -2.280 172.485 174.700 0.109 0.000 0.936 456 T CA -1.073 61.069 62.100 0.070 0.000 1.060 456 T CB 0.624 69.522 68.868 0.050 0.000 0.904 456 T HN -0.008 nan 8.240 nan 0.000 0.500 457 P HA 0.055 nan 4.420 nan 0.000 0.264 457 P C -0.551 176.920 177.300 0.285 0.000 1.183 457 P CA 0.016 63.249 63.100 0.221 0.000 0.763 457 P CB 0.248 32.134 31.700 0.309 0.000 0.807 458 H N 4.134 123.317 119.070 0.188 0.000 2.489 458 H HA 0.214 4.771 4.556 0.001 0.000 0.322 458 H C -1.502 173.990 175.328 0.272 0.000 1.091 458 H CA -2.088 54.059 56.048 0.165 0.000 1.291 458 H CB 1.210 31.026 29.762 0.089 0.000 1.436 458 H HN 0.308 nan 8.280 nan 0.000 0.480 459 P HA -0.268 nan 4.420 nan 0.000 0.218 459 P C 1.371 178.925 177.300 0.424 0.000 1.154 459 P CA 1.216 64.509 63.100 0.323 0.000 0.872 459 P CB 0.202 31.949 31.700 0.079 0.000 0.790 460 V N -0.231 119.973 119.914 0.483 0.000 2.720 460 V HA -0.223 3.898 4.120 0.001 0.000 0.256 460 V C 2.105 178.192 176.094 -0.011 0.000 1.082 460 V CA 1.677 64.043 62.300 0.109 0.000 1.101 460 V CB -1.171 30.564 31.823 -0.147 0.000 0.693 460 V HN 0.249 nan 8.190 nan 0.000 0.479 461 E N -0.609 119.643 120.200 0.087 0.000 2.268 461 E HA -0.152 4.198 4.350 0.001 0.000 0.195 461 E C 1.988 178.525 176.600 -0.105 0.000 0.995 461 E CA 1.088 57.480 56.400 -0.014 0.000 0.836 461 E CB -0.129 29.618 29.700 0.078 0.000 0.763 461 E HN 0.657 nan 8.360 nan 0.000 0.491 462 F N 0.924 120.918 119.950 0.073 0.000 2.234 462 F HA -0.045 4.483 4.527 0.001 0.000 0.296 462 F C 2.424 178.241 175.800 0.027 0.000 1.089 462 F CA 0.834 58.892 58.000 0.097 0.000 1.343 462 F CB -0.012 39.014 39.000 0.043 0.000 1.040 462 F HN -0.039 nan 8.300 nan 0.000 0.498 463 E N 0.310 120.582 120.200 0.120 0.000 2.077 463 E HA -0.208 4.143 4.350 0.001 0.000 0.193 463 E C 2.012 178.559 176.600 -0.090 0.000 0.989 463 E CA 1.178 57.583 56.400 0.009 0.000 0.800 463 E CB -0.068 29.613 29.700 -0.032 0.000 0.746 463 E HN 0.157 nan 8.360 nan 0.000 0.452 464 L N -0.609 120.449 121.223 -0.274 0.000 2.131 464 L HA -0.060 4.281 4.340 0.001 0.000 0.206 464 L C 1.190 177.736 176.870 -0.540 0.000 1.087 464 L CA 1.550 56.042 54.840 -0.579 0.000 0.767 464 L CB -0.264 41.084 42.059 -1.185 0.000 0.917 464 L HN 0.294 nan 8.230 nan 0.000 0.441 465 Y N -4.588 115.703 120.300 -0.015 0.000 2.527 465 Y HA 0.107 4.658 4.550 0.001 0.000 0.247 465 Y C 1.828 177.721 175.900 -0.011 0.000 1.138 465 Y CA -1.157 56.917 58.100 -0.043 0.000 1.228 465 Y CB -0.856 37.536 38.460 -0.112 0.000 1.252 465 Y HN 0.019 nan 8.280 nan 0.000 0.531 466 Y N 1.011 121.345 120.300 0.056 0.000 2.207 466 Y HA -0.213 4.337 4.550 0.001 0.000 0.287 466 Y C 1.794 177.732 175.900 0.064 0.000 1.156 466 Y CA 1.915 60.059 58.100 0.073 0.000 1.182 466 Y CB -0.005 38.550 38.460 0.159 0.000 0.979 466 Y HN -0.064 nan 8.280 nan 0.000 0.521 467 S N -0.370 115.395 115.700 0.108 0.000 2.679 467 S HA 0.130 4.600 4.470 0.001 0.000 0.233 467 S C 0.521 175.117 174.600 -0.006 0.000 0.951 467 S CA -0.155 58.059 58.200 0.024 0.000 0.973 467 S CB -0.482 62.774 63.200 0.093 0.000 0.778 467 S HN 0.139 nan 8.310 nan 0.000 0.477 468 V N 0.000 119.909 119.914 -0.009 0.000 2.409 468 V HA 0.000 4.121 4.120 0.001 0.000 0.244 468 V CA 0.000 62.300 62.300 0.001 0.000 1.235 468 V CB 0.000 31.833 31.823 0.017 0.000 1.184 468 V HN 0.000 nan 8.190 nan 0.000 0.556