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 1pjl_1_H DATA FIRST_RESID 7023 DATA SEQUENCE EKGKPLXLNP RTNKGXAFTL QERQXLGLQG LLPPKIETQD IQALRFHRNL DATA SEQUENCE KKXTSPLEKY IYIXGIQERN EKLFYRILQD DIESLXPIVY TPTVGLACSQ DATA SEQUENCE YGHIFRRPKG LFISISDRGH VRSIVDNWPE NHVKAVVVTD GERILGLGDL DATA SEQUENCE GVYGXGIPVG KLCLYTACAG IRPDRCLPVC IDVGTDNIAL LKDPFYXGLY DATA SEQUENCE QKRDRTQQYD DLIDEFXKAI TDRYGRNTLI QFEDFGNHNA FRFLRKYREK DATA SEQUENCE YCTFNDDIQG TAAVALAGLL AAQKVISKPI SEHKILFLGA GEAALGIANL DATA SEQUENCE IVXSXVENGL SEQEAQKKIW XFDKYGLLVK GRKAKIDSYQ EPFTHSAPES DATA SEQUENCE IPDTFEDAVN ILKPSTIIGV AGAGRLFTPD VIRAXASINE RPVIFALSNP DATA SEQUENCE TAQAECTAEE AYTLTEGRCL FASGSPFGPV KLTDGRVFTP GQGNNVYIFP DATA SEQUENCE GVALAVILCN TRHISDSVFL EAAKALTSQL TDEELAQGRL YPPLANIQEV DATA SEQUENCE SINIAIKVTE YLYANKXAFR YPEPEDKAKY VKERTWRSEY DSLLPDVYEW DATA SEQUENCE P 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 7023 E HA 0.000 nan 4.350 nan 0.000 0.291 7023 E C 0.000 176.578 176.600 -0.036 0.000 1.382 7023 E CA 0.000 56.383 56.400 -0.028 0.000 0.976 7023 E CB 0.000 29.685 29.700 -0.025 0.000 0.812 7024 K N -1.489 118.884 120.400 -0.044 0.000 2.670 7024 K HA 0.704 5.025 4.320 0.002 0.000 0.289 7024 K C 0.304 176.862 176.600 -0.070 0.000 1.045 7024 K CA -0.255 55.993 56.287 -0.065 0.000 0.834 7024 K CB 0.564 33.021 32.500 -0.071 0.000 1.531 7024 K HN 0.865 nan 8.250 nan 0.000 0.376 7025 G N 0.891 109.632 108.800 -0.098 0.000 2.553 7025 G HA2 -0.350 3.611 3.960 0.002 0.000 0.242 7025 G HA3 -0.350 3.611 3.960 0.002 0.000 0.242 7025 G C 0.488 175.337 174.900 -0.084 0.000 1.277 7025 G CA 0.642 45.688 45.100 -0.091 0.000 0.910 7025 G HN 0.925 nan 8.290 nan 0.000 0.576 7026 K N 1.089 121.456 120.400 -0.055 0.000 2.127 7026 K HA -0.071 4.251 4.320 0.002 0.000 0.208 7026 K C 0.023 176.614 176.600 -0.015 0.000 1.047 7026 K CA 2.593 58.862 56.287 -0.030 0.000 0.927 7026 K CB -0.930 31.560 32.500 -0.017 0.000 0.716 7026 K HN 0.348 nan 8.250 nan 0.000 0.450 7027 P HA -0.155 nan 4.420 nan 0.000 0.218 7027 P C 0.274 177.575 177.300 0.001 0.000 1.148 7027 P CA 0.619 63.713 63.100 -0.011 0.000 0.822 7027 P CB 0.083 31.770 31.700 -0.020 0.000 0.784 7031 N N 3.772 122.488 118.700 0.027 0.000 2.431 7031 N HA 0.091 4.832 4.740 0.002 0.000 0.265 7031 N C -1.748 173.781 175.510 0.032 0.000 1.184 7031 N CA -1.160 51.900 53.050 0.016 0.000 0.943 7031 N CB 1.808 40.299 38.487 0.006 0.000 1.080 7031 N HN 0.051 nan 8.380 nan 0.000 0.477 7032 P HA -0.174 nan 4.420 nan 0.000 0.216 7032 P C 0.904 178.234 177.300 0.050 0.000 1.153 7032 P CA 1.397 64.513 63.100 0.026 0.000 0.858 7032 P CB 0.308 32.005 31.700 -0.004 0.000 0.789 7033 R N -0.430 120.093 120.500 0.038 0.000 2.152 7033 R HA -0.062 4.279 4.340 0.002 0.000 0.232 7033 R C 2.342 178.697 176.300 0.091 0.000 1.117 7033 R CA 2.042 58.181 56.100 0.065 0.000 0.981 7033 R CB -0.885 29.430 30.300 0.024 0.000 0.870 7033 R HN 0.398 nan 8.270 nan 0.000 0.451 7034 T N -2.500 112.103 114.554 0.080 0.000 3.023 7034 T HA 0.001 4.353 4.350 0.002 0.000 0.249 7034 T C 0.833 175.609 174.700 0.127 0.000 1.050 7034 T CA -0.383 61.782 62.100 0.109 0.000 1.088 7034 T CB -0.152 68.783 68.868 0.112 0.000 0.946 7034 T HN -0.029 nan 8.240 nan 0.000 0.480 7035 N N 2.347 121.109 118.700 0.103 0.000 2.412 7035 N HA 0.030 4.771 4.740 0.002 0.000 0.254 7035 N C -0.040 175.301 175.510 -0.283 0.000 1.232 7035 N CA 0.473 53.556 53.050 0.056 0.000 0.880 7035 N CB 0.412 38.939 38.487 0.067 0.000 1.076 7035 N HN 0.400 nan 8.380 nan 0.000 0.458 7036 K N 2.307 122.176 120.400 -0.886 0.000 2.826 7036 K HA 0.234 4.556 4.320 0.002 0.000 0.206 7036 K C 0.555 176.685 176.600 -0.782 0.000 1.116 7036 K CA -0.229 55.352 56.287 -1.178 0.000 1.045 7036 K CB 0.179 31.495 32.500 -1.974 0.000 0.758 7036 K HN 0.840 nan 8.250 nan 0.000 0.465 7040 F N 2.325 122.231 119.950 -0.074 0.000 2.361 7040 F HA 0.397 4.925 4.527 0.002 0.000 0.364 7040 F C 1.364 177.139 175.800 -0.042 0.000 1.120 7040 F CA -0.103 57.842 58.000 -0.090 0.000 1.102 7040 F CB 1.445 40.401 39.000 -0.074 0.000 1.183 7040 F HN 0.329 nan 8.300 nan 0.000 0.476 7041 T N 3.182 117.845 114.554 0.182 0.000 2.937 7041 T HA -0.078 4.273 4.350 0.002 0.000 0.316 7041 T C 1.292 176.042 174.700 0.083 0.000 1.079 7041 T CA -0.709 61.456 62.100 0.107 0.000 1.131 7041 T CB 0.768 69.686 68.868 0.083 0.000 1.000 7041 T HN 0.612 nan 8.240 nan 0.000 0.549 7042 L N 2.133 123.389 121.223 0.056 0.000 2.137 7042 L HA -0.110 4.231 4.340 0.002 0.000 0.213 7042 L C 2.542 179.421 176.870 0.014 0.000 1.085 7042 L CA 2.140 57.000 54.840 0.033 0.000 0.760 7042 L CB -1.458 40.617 42.059 0.027 0.000 0.893 7042 L HN 0.978 nan 8.230 nan 0.000 0.434 7043 Q N -0.630 119.180 119.800 0.017 0.000 1.994 7043 Q HA -0.148 4.194 4.340 0.002 0.000 0.198 7043 Q C 2.092 178.082 176.000 -0.018 0.000 0.976 7043 Q CA 1.816 57.620 55.803 0.001 0.000 0.828 7043 Q CB -0.087 28.657 28.738 0.010 0.000 0.894 7043 Q HN 0.617 nan 8.270 nan 0.000 0.432 7044 E N 0.170 120.367 120.200 -0.004 0.000 2.070 7044 E HA -0.272 4.079 4.350 0.002 0.000 0.197 7044 E C 2.129 178.649 176.600 -0.134 0.000 1.004 7044 E CA 1.230 57.601 56.400 -0.049 0.000 0.805 7044 E CB -0.248 29.465 29.700 0.022 0.000 0.744 7044 E HN 0.296 nan 8.360 nan 0.000 0.451 7045 R N 0.942 121.379 120.500 -0.105 0.000 2.113 7045 R HA -0.140 4.202 4.340 0.002 0.000 0.244 7045 R C 1.475 177.709 176.300 -0.111 0.000 1.142 7045 R CA 1.267 57.286 56.100 -0.134 0.000 0.953 7045 R CB -0.214 30.060 30.300 -0.044 0.000 0.860 7045 R HN 0.259 nan 8.270 nan 0.000 0.438 7049 G N 1.649 110.378 108.800 -0.117 0.000 2.452 7049 G HA2 -0.213 3.749 3.960 0.002 0.000 0.275 7049 G HA3 -0.213 3.749 3.960 0.002 0.000 0.275 7049 G C 0.405 175.236 174.900 -0.115 0.000 1.131 7049 G CA 0.439 45.481 45.100 -0.096 0.000 1.031 7049 G HN 0.266 nan 8.290 nan 0.000 0.511 7050 L N -0.859 120.285 121.223 -0.130 0.000 3.217 7050 L HA 0.259 4.601 4.340 0.002 0.000 0.288 7050 L C 1.072 177.896 176.870 -0.077 0.000 1.202 7050 L CA -0.357 54.402 54.840 -0.135 0.000 1.027 7050 L CB 0.315 42.221 42.059 -0.255 0.000 1.427 7050 L HN 0.264 nan 8.230 nan 0.000 0.600 7051 Q N 1.682 121.445 119.800 -0.062 0.000 2.286 7051 Q HA 0.243 4.584 4.340 0.002 0.000 0.265 7051 Q C 1.015 177.001 176.000 -0.023 0.000 1.080 7051 Q CA 1.023 56.806 55.803 -0.034 0.000 0.906 7051 Q CB 0.982 29.701 28.738 -0.031 0.000 1.227 7051 Q HN 0.465 nan 8.270 nan 0.000 0.409 7052 G N 2.803 111.597 108.800 -0.011 0.000 2.163 7052 G HA2 -0.195 3.767 3.960 0.002 0.000 0.213 7052 G HA3 -0.195 3.767 3.960 0.002 0.000 0.213 7052 G C 0.478 175.376 174.900 -0.002 0.000 0.991 7052 G CA -0.040 45.057 45.100 -0.005 0.000 0.653 7052 G HN 0.571 nan 8.290 nan 0.000 0.518 7053 L N -0.579 120.643 121.223 -0.003 0.000 2.642 7053 L HA 0.478 4.820 4.340 0.002 0.000 0.233 7053 L C 1.038 177.922 176.870 0.024 0.000 1.077 7053 L CA 0.429 55.271 54.840 0.004 0.000 0.879 7053 L CB 0.164 42.216 42.059 -0.012 0.000 1.151 7053 L HN 0.133 nan 8.230 nan 0.000 0.495 7054 L N 0.136 121.378 121.223 0.032 0.000 2.333 7054 L HA 0.469 4.811 4.340 0.002 0.000 0.269 7054 L C -2.236 174.661 176.870 0.044 0.000 1.010 7054 L CA -1.938 52.935 54.840 0.055 0.000 0.818 7054 L CB 1.502 43.615 42.059 0.090 0.000 1.306 7054 L HN -0.204 nan 8.230 nan 0.000 0.430 7055 P HA 0.104 nan 4.420 nan 0.000 0.268 7055 P C -2.452 174.871 177.300 0.039 0.000 1.205 7055 P CA -0.968 62.154 63.100 0.038 0.000 0.771 7055 P CB -0.263 31.460 31.700 0.039 0.000 0.858 7056 P HA 0.110 nan 4.420 nan 0.000 0.259 7056 P C -0.349 176.971 177.300 0.033 0.000 1.635 7056 P CA 0.572 63.690 63.100 0.030 0.000 1.199 7056 P CB 0.064 31.777 31.700 0.022 0.000 1.850 7057 K N 3.692 124.116 120.400 0.040 0.000 2.592 7057 K HA 0.229 4.550 4.320 0.002 0.000 0.259 7057 K C -1.497 175.133 176.600 0.049 0.000 0.937 7057 K CA -0.528 55.784 56.287 0.041 0.000 0.874 7057 K CB 1.838 34.361 32.500 0.039 0.000 1.339 7057 K HN 0.088 nan 8.250 nan 0.000 0.425 7058 I N 3.441 124.040 120.570 0.048 0.000 2.337 7058 I HA 0.322 4.493 4.170 0.002 0.000 0.285 7058 I C 0.238 176.388 176.117 0.055 0.000 1.041 7058 I CA -0.480 60.853 61.300 0.056 0.000 1.199 7058 I CB 0.782 38.816 38.000 0.056 0.000 1.370 7058 I HN 0.494 nan 8.210 nan 0.000 0.470 7059 E N 3.486 123.722 120.200 0.059 0.000 2.277 7059 E HA 0.336 4.687 4.350 0.002 0.000 0.274 7059 E C 0.618 177.266 176.600 0.080 0.000 1.022 7059 E CA -0.363 56.075 56.400 0.062 0.000 0.853 7059 E CB 1.488 31.225 29.700 0.063 0.000 1.086 7059 E HN 0.685 nan 8.360 nan 0.000 0.397 7060 T N -0.856 113.739 114.554 0.068 0.000 2.793 7060 T HA 0.029 4.380 4.350 0.002 0.000 0.299 7060 T C 1.052 175.792 174.700 0.066 0.000 1.038 7060 T CA -0.171 61.971 62.100 0.070 0.000 0.948 7060 T CB 1.076 69.963 68.868 0.032 0.000 1.231 7060 T HN 0.516 nan 8.240 nan 0.000 0.538 7061 Q N -0.329 119.462 119.800 -0.014 0.000 2.089 7061 Q HA -0.086 4.256 4.340 0.002 0.000 0.195 7061 Q C 1.865 177.819 176.000 -0.076 0.000 0.963 7061 Q CA 1.357 57.083 55.803 -0.129 0.000 0.834 7061 Q CB -0.134 28.355 28.738 -0.415 0.000 0.906 7061 Q HN 0.776 nan 8.270 nan 0.000 0.452 7062 D N 0.969 121.334 120.400 -0.059 0.000 2.170 7062 D HA -0.245 4.396 4.640 0.002 0.000 0.193 7062 D C 1.909 178.218 176.300 0.015 0.000 1.004 7062 D CA 1.597 55.584 54.000 -0.023 0.000 0.860 7062 D CB -0.484 40.308 40.800 -0.014 0.000 0.931 7062 D HN 0.423 nan 8.370 nan 0.000 0.448 7063 I N 1.044 121.629 120.570 0.024 0.000 2.113 7063 I HA -0.305 3.867 4.170 0.002 0.000 0.238 7063 I C 2.657 178.808 176.117 0.057 0.000 1.070 7063 I CA 1.274 62.601 61.300 0.045 0.000 1.332 7063 I CB -0.758 37.270 38.000 0.046 0.000 1.044 7063 I HN -0.053 nan 8.210 nan 0.000 0.402 7064 Q N 1.272 121.102 119.800 0.050 0.000 2.133 7064 Q HA -0.238 4.104 4.340 0.002 0.000 0.208 7064 Q C 2.455 178.487 176.000 0.053 0.000 0.991 7064 Q CA 1.948 57.786 55.803 0.060 0.000 0.867 7064 Q CB -0.492 28.281 28.738 0.057 0.000 0.911 7064 Q HN 0.636 nan 8.270 nan 0.000 0.417 7065 A N 0.842 123.666 122.820 0.007 0.000 1.933 7065 A HA -0.166 4.155 4.320 0.002 0.000 0.218 7065 A C 2.065 179.704 177.584 0.093 0.000 1.175 7065 A CA 1.178 53.191 52.037 -0.041 0.000 0.628 7065 A CB -0.523 18.457 19.000 -0.032 0.000 0.814 7065 A HN 0.341 nan 8.150 nan 0.000 0.444 7066 L N -0.199 121.117 121.223 0.155 0.000 2.056 7066 L HA -0.101 4.240 4.340 0.002 0.000 0.207 7066 L C 2.456 179.439 176.870 0.189 0.000 1.078 7066 L CA 2.256 57.222 54.840 0.209 0.000 0.749 7066 L CB -0.528 41.608 42.059 0.127 0.000 0.901 7066 L HN 0.499 nan 8.230 nan 0.000 0.433 7067 R N -0.991 119.597 120.500 0.146 0.000 2.103 7067 R HA -0.298 4.044 4.340 0.002 0.000 0.234 7067 R C 2.366 178.777 176.300 0.185 0.000 1.132 7067 R CA 2.462 58.645 56.100 0.138 0.000 0.925 7067 R CB -0.972 29.406 30.300 0.130 0.000 0.842 7067 R HN 0.377 nan 8.270 nan 0.000 0.430 7068 F N 1.028 120.999 119.950 0.035 0.000 2.032 7068 F HA -0.366 4.163 4.527 0.002 0.000 0.297 7068 F C 2.221 178.054 175.800 0.055 0.000 1.125 7068 F CA 2.615 60.650 58.000 0.059 0.000 1.202 7068 F CB -0.581 38.320 39.000 -0.164 0.000 0.958 7068 F HN 0.294 nan 8.300 nan 0.000 0.491 7069 H N -1.064 118.289 119.070 0.472 0.000 2.353 7069 H HA -0.181 4.377 4.556 0.002 0.000 0.298 7069 H C 2.221 177.607 175.328 0.097 0.000 1.103 7069 H CA 1.787 58.001 56.048 0.275 0.000 1.293 7069 H CB -0.251 29.628 29.762 0.195 0.000 1.372 7069 H HN 0.176 nan 8.280 nan 0.000 0.501 7070 R N 0.138 120.754 120.500 0.193 0.000 2.235 7070 R HA -0.003 4.339 4.340 0.002 0.000 0.213 7070 R C 1.604 177.903 176.300 -0.001 0.000 1.059 7070 R CA 0.808 56.958 56.100 0.084 0.000 0.997 7070 R CB 0.148 30.493 30.300 0.075 0.000 0.884 7070 R HN 0.480 nan 8.270 nan 0.000 0.462 7071 N N -0.746 117.918 118.700 -0.059 0.000 2.482 7071 N HA -0.050 4.692 4.740 0.002 0.000 0.179 7071 N C 1.406 176.721 175.510 -0.325 0.000 1.039 7071 N CA 0.285 53.210 53.050 -0.208 0.000 0.884 7071 N CB 0.187 38.510 38.487 -0.274 0.000 1.113 7071 N HN 0.065 nan 8.380 nan 0.000 0.440 7072 L N 2.660 123.683 121.223 -0.332 0.000 2.201 7072 L HA -0.098 4.243 4.340 0.002 0.000 0.212 7072 L C 2.317 179.117 176.870 -0.117 0.000 1.105 7072 L CA 1.496 56.164 54.840 -0.287 0.000 0.775 7072 L CB -0.256 41.673 42.059 -0.217 0.000 0.913 7072 L HN -0.000 nan 8.230 nan 0.000 0.440 7073 K N 0.266 120.635 120.400 -0.052 0.000 2.001 7073 K HA -0.200 4.121 4.320 0.002 0.000 0.214 7073 K C 0.797 177.370 176.600 -0.046 0.000 1.050 7073 K CA 1.466 57.744 56.287 -0.015 0.000 0.934 7073 K CB -0.115 32.389 32.500 0.006 0.000 0.718 7073 K HN 0.297 nan 8.250 nan 0.000 0.443 7077 S N 3.930 119.616 115.700 -0.024 0.000 2.550 7077 S HA 0.128 4.599 4.470 0.002 0.000 0.285 7077 S C -1.311 173.285 174.600 -0.008 0.000 1.326 7077 S CA -0.057 58.130 58.200 -0.022 0.000 1.037 7077 S CB 0.159 63.341 63.200 -0.030 0.000 0.838 7077 S HN 0.530 nan 8.310 nan 0.000 0.519 7078 P HA -0.024 nan 4.420 nan 0.000 0.218 7078 P C 1.588 178.904 177.300 0.027 0.000 1.152 7078 P CA 0.381 63.489 63.100 0.015 0.000 0.826 7078 P CB -0.042 31.656 31.700 -0.003 0.000 0.790 7079 L N 0.502 121.708 121.223 -0.029 0.000 2.353 7079 L HA -0.057 4.284 4.340 0.002 0.000 0.220 7079 L C 2.290 179.180 176.870 0.033 0.000 1.133 7079 L CA 1.619 56.419 54.840 -0.066 0.000 0.798 7079 L CB -0.983 41.001 42.059 -0.125 0.000 0.922 7079 L HN -0.058 nan 8.230 nan 0.000 0.445 7080 E N -1.146 119.079 120.200 0.043 0.000 2.318 7080 E HA -0.123 4.229 4.350 0.002 0.000 0.193 7080 E C 1.784 178.453 176.600 0.114 0.000 0.998 7080 E CA 0.249 56.687 56.400 0.063 0.000 0.859 7080 E CB 0.213 29.919 29.700 0.009 0.000 0.812 7080 E HN 0.485 nan 8.360 nan 0.000 0.492 7081 K N -0.086 120.390 120.400 0.127 0.000 2.076 7081 K HA -0.129 4.192 4.320 0.002 0.000 0.204 7081 K C 2.121 178.884 176.600 0.271 0.000 1.051 7081 K CA 1.033 57.423 56.287 0.172 0.000 0.949 7081 K CB -0.361 32.220 32.500 0.134 0.000 0.726 7081 K HN 0.250 nan 8.250 nan 0.000 0.443 7082 Y N 1.700 122.057 120.300 0.096 0.000 2.181 7082 Y HA -0.166 4.386 4.550 0.002 0.000 0.288 7082 Y C 1.941 177.908 175.900 0.112 0.000 1.146 7082 Y CA 1.217 59.374 58.100 0.096 0.000 1.164 7082 Y CB -0.132 38.359 38.460 0.052 0.000 0.982 7082 Y HN -0.087 nan 8.280 nan 0.000 0.515 7083 I N -0.327 120.558 120.570 0.525 0.000 2.614 7083 I HA -0.259 3.912 4.170 0.002 0.000 0.258 7083 I C 1.951 178.213 176.117 0.241 0.000 1.189 7083 I CA 1.015 62.538 61.300 0.371 0.000 1.462 7083 I CB -0.337 37.831 38.000 0.280 0.000 1.092 7083 I HN 0.388 nan 8.210 nan 0.000 0.442 7084 Y N 1.470 121.824 120.300 0.090 0.000 2.201 7084 Y HA 0.025 4.577 4.550 0.002 0.000 0.292 7084 Y C 1.396 177.366 175.900 0.116 0.000 1.119 7084 Y CA 0.155 58.278 58.100 0.039 0.000 1.127 7084 Y CB -0.267 38.148 38.460 -0.076 0.000 1.019 7084 Y HN 0.012 nan 8.280 nan 0.000 0.514 7088 I N 1.524 122.118 120.570 0.040 0.000 3.428 7088 I HA 0.066 4.238 4.170 0.002 0.000 0.286 7088 I C 2.174 178.356 176.117 0.109 0.000 1.287 7088 I CA 0.864 62.212 61.300 0.079 0.000 1.396 7088 I CB -0.419 37.614 38.000 0.055 0.000 1.062 7088 I HN 0.358 nan 8.210 nan 0.000 0.471 7089 Q N 1.757 121.522 119.800 -0.058 0.000 1.961 7089 Q HA -0.132 4.209 4.340 0.002 0.000 0.197 7089 Q C 1.391 177.249 176.000 -0.235 0.000 0.977 7089 Q CA 1.136 56.606 55.803 -0.555 0.000 0.830 7089 Q CB 0.154 28.204 28.738 -1.147 0.000 0.896 7089 Q HN 0.231 nan 8.270 nan 0.000 0.437 7090 E N 0.392 120.484 120.200 -0.181 0.000 2.527 7090 E HA -0.157 4.194 4.350 0.002 0.000 0.204 7090 E C 1.137 177.713 176.600 -0.040 0.000 1.132 7090 E CA 0.623 56.965 56.400 -0.098 0.000 0.905 7090 E CB 0.049 29.698 29.700 -0.084 0.000 0.875 7090 E HN 0.362 nan 8.360 nan 0.000 0.548 7091 R N -0.104 120.384 120.500 -0.019 0.000 2.561 7091 R HA 0.074 4.415 4.340 0.002 0.000 0.213 7091 R C 0.071 176.393 176.300 0.036 0.000 0.885 7091 R CA 0.122 56.232 56.100 0.017 0.000 1.002 7091 R CB 0.728 31.047 30.300 0.032 0.000 1.432 7091 R HN -0.084 nan 8.270 nan 0.000 0.651 7092 N N 1.357 120.089 118.700 0.053 0.000 2.839 7092 N HA -0.013 4.729 4.740 0.002 0.000 0.230 7092 N C -0.450 175.160 175.510 0.167 0.000 1.388 7092 N CA -0.062 53.046 53.050 0.097 0.000 0.747 7092 N CB 1.215 39.760 38.487 0.097 0.000 1.411 7092 N HN 0.285 nan 8.380 nan 0.000 0.556 7093 E N 1.687 121.988 120.200 0.169 0.000 2.136 7093 E HA -0.253 4.098 4.350 0.002 0.000 0.202 7093 E C 0.850 177.776 176.600 0.543 0.000 1.019 7093 E CA 1.328 57.898 56.400 0.283 0.000 0.819 7093 E CB 0.392 30.228 29.700 0.226 0.000 0.739 7093 E HN 0.435 nan 8.360 nan 0.000 0.458 7094 K N 0.325 121.000 120.400 0.458 0.000 1.963 7094 K HA -0.170 4.152 4.320 0.002 0.000 0.216 7094 K C 2.289 179.046 176.600 0.262 0.000 1.045 7094 K CA 0.753 57.287 56.287 0.413 0.000 0.954 7094 K CB -0.996 31.705 32.500 0.335 0.000 0.732 7094 K HN 0.134 nan 8.250 nan 0.000 0.442 7095 L N 1.338 122.654 121.223 0.156 0.000 2.026 7095 L HA -0.281 4.060 4.340 0.002 0.000 0.231 7095 L C 2.319 179.171 176.870 -0.031 0.000 1.095 7095 L CA 1.952 56.797 54.840 0.007 0.000 0.810 7095 L CB -1.111 40.972 42.059 0.041 0.000 0.909 7095 L HN 0.276 nan 8.230 nan 0.000 0.444 7096 F N -1.135 118.747 119.950 -0.113 0.000 2.082 7096 F HA -0.391 4.137 4.527 0.002 0.000 0.298 7096 F C 2.184 177.827 175.800 -0.262 0.000 1.091 7096 F CA 2.311 60.165 58.000 -0.244 0.000 1.230 7096 F CB -0.602 38.255 39.000 -0.239 0.000 0.983 7096 F HN 0.240 nan 8.300 nan 0.000 0.485 7097 Y N -0.109 120.327 120.300 0.226 0.000 2.395 7097 Y HA -0.106 4.445 4.550 0.002 0.000 0.293 7097 Y C 2.588 178.442 175.900 -0.076 0.000 1.123 7097 Y CA 1.230 59.420 58.100 0.150 0.000 1.227 7097 Y CB -0.398 38.350 38.460 0.479 0.000 1.012 7097 Y HN 0.103 nan 8.280 nan 0.000 0.552 7098 R N 0.846 121.340 120.500 -0.011 0.000 2.070 7098 R HA -0.163 4.178 4.340 0.002 0.000 0.232 7098 R C 1.812 178.007 176.300 -0.175 0.000 1.138 7098 R CA 2.224 58.253 56.100 -0.118 0.000 0.936 7098 R CB -0.794 29.398 30.300 -0.180 0.000 0.839 7098 R HN 0.253 nan 8.270 nan 0.000 0.429 7099 I N 1.105 121.486 120.570 -0.315 0.000 2.091 7099 I HA -0.301 3.871 4.170 0.002 0.000 0.239 7099 I C 2.365 178.277 176.117 -0.342 0.000 1.061 7099 I CA 1.171 62.214 61.300 -0.428 0.000 1.317 7099 I CB -0.668 36.804 38.000 -0.881 0.000 1.031 7099 I HN 0.228 nan 8.210 nan 0.000 0.401 7100 L N 0.459 121.397 121.223 -0.475 0.000 2.085 7100 L HA -0.329 4.012 4.340 0.002 0.000 0.218 7100 L C 2.478 179.264 176.870 -0.139 0.000 1.080 7100 L CA 2.069 56.689 54.840 -0.368 0.000 0.776 7100 L CB -0.821 40.971 42.059 -0.445 0.000 0.891 7100 L HN 0.369 nan 8.230 nan 0.000 0.437 7101 Q N -1.801 117.950 119.800 -0.081 0.000 2.163 7101 Q HA -0.151 4.190 4.340 0.002 0.000 0.198 7101 Q C 1.881 177.858 176.000 -0.038 0.000 0.954 7101 Q CA 1.006 56.792 55.803 -0.028 0.000 0.851 7101 Q CB -0.146 28.586 28.738 -0.011 0.000 0.928 7101 Q HN 0.424 nan 8.270 nan 0.000 0.459 7102 D N 0.857 121.225 120.400 -0.053 0.000 2.218 7102 D HA -0.183 4.459 4.640 0.002 0.000 0.194 7102 D C 0.646 176.945 176.300 -0.000 0.000 1.007 7102 D CA 1.375 55.369 54.000 -0.011 0.000 0.879 7102 D CB 0.048 40.886 40.800 0.064 0.000 0.918 7102 D HN 0.091 nan 8.370 nan 0.000 0.449 7103 D N -1.731 118.673 120.400 0.007 0.000 2.712 7103 D HA 0.029 4.670 4.640 0.002 0.000 0.300 7103 D C 1.465 177.769 176.300 0.007 0.000 1.521 7103 D CA -0.365 53.642 54.000 0.012 0.000 0.790 7103 D CB 0.109 40.940 40.800 0.051 0.000 1.155 7103 D HN 0.004 nan 8.370 nan 0.000 0.456 7104 I N 1.623 122.189 120.570 -0.005 0.000 2.317 7104 I HA -0.365 3.806 4.170 0.002 0.000 0.244 7104 I C 1.878 178.003 176.117 0.012 0.000 0.986 7104 I CA 2.081 63.381 61.300 0.001 0.000 1.286 7104 I CB 0.006 38.010 38.000 0.007 0.000 0.983 7104 I HN 0.174 nan 8.210 nan 0.000 0.422 7105 E N -0.613 119.597 120.200 0.016 0.000 2.077 7105 E HA -0.189 4.162 4.350 0.002 0.000 0.193 7105 E C 2.124 178.739 176.600 0.025 0.000 0.989 7105 E CA 1.656 58.068 56.400 0.020 0.000 0.800 7105 E CB -0.083 29.631 29.700 0.024 0.000 0.746 7105 E HN 0.688 nan 8.360 nan 0.000 0.452 7106 S N 0.632 116.350 115.700 0.030 0.000 2.329 7106 S HA -0.037 4.434 4.470 0.002 0.000 0.215 7106 S C 0.969 175.598 174.600 0.050 0.000 1.031 7106 S CA 0.126 58.350 58.200 0.041 0.000 0.985 7106 S CB -0.116 63.113 63.200 0.050 0.000 0.917 7106 S HN 0.127 nan 8.310 nan 0.000 0.441 7110 I N 0.404 121.038 120.570 0.107 0.000 2.594 7110 I HA -0.030 4.141 4.170 0.002 0.000 0.237 7110 I C 2.323 178.585 176.117 0.242 0.000 1.071 7110 I CA 0.829 62.219 61.300 0.151 0.000 1.427 7110 I CB -0.503 37.585 38.000 0.147 0.000 1.218 7110 I HN -0.291 nan 8.210 nan 0.000 0.444 7111 V N 0.031 120.059 119.914 0.190 0.000 2.324 7111 V HA -0.271 3.850 4.120 0.002 0.000 0.250 7111 V C 1.326 177.609 176.094 0.315 0.000 1.060 7111 V CA 1.772 64.188 62.300 0.192 0.000 1.042 7111 V CB -0.615 31.273 31.823 0.109 0.000 0.650 7111 V HN 0.348 nan 8.190 nan 0.000 0.450 7112 Y N 0.400 120.767 120.300 0.112 0.000 3.042 7112 Y HA 0.409 4.961 4.550 0.002 0.000 0.339 7112 Y C 1.157 177.093 175.900 0.060 0.000 1.299 7112 Y CA -0.946 57.208 58.100 0.091 0.000 1.059 7112 Y CB 0.191 38.703 38.460 0.086 0.000 1.361 7112 Y HN 0.144 nan 8.280 nan 0.000 0.755 7113 T N 1.755 115.980 114.554 -0.547 0.000 2.923 7113 T HA 0.065 4.417 4.350 0.002 0.000 0.304 7113 T C -2.125 172.496 174.700 -0.131 0.000 1.044 7113 T CA -0.646 61.210 62.100 -0.406 0.000 1.141 7113 T CB 0.687 69.331 68.868 -0.373 0.000 1.023 7113 T HN 0.500 nan 8.240 nan 0.000 0.533 7114 P HA 0.130 nan 4.420 nan 0.000 0.252 7114 P C 1.419 178.619 177.300 -0.167 0.000 1.211 7114 P CA 0.133 63.133 63.100 -0.166 0.000 0.824 7114 P CB 0.036 31.661 31.700 -0.125 0.000 1.077 7115 T N 0.370 114.853 114.554 -0.119 0.000 2.848 7115 T HA -0.129 4.222 4.350 0.002 0.000 0.269 7115 T C 1.725 176.279 174.700 -0.243 0.000 1.081 7115 T CA 1.296 63.312 62.100 -0.140 0.000 1.125 7115 T CB -0.838 68.004 68.868 -0.044 0.000 0.848 7115 T HN -0.078 nan 8.240 nan 0.000 0.503 7116 V N 1.307 121.100 119.914 -0.201 0.000 2.270 7116 V HA -0.021 4.100 4.120 0.002 0.000 0.245 7116 V C 2.642 178.566 176.094 -0.284 0.000 1.043 7116 V CA 2.358 64.523 62.300 -0.225 0.000 1.014 7116 V CB -1.168 30.555 31.823 -0.168 0.000 0.645 7116 V HN 0.520 nan 8.190 nan 0.000 0.447 7117 G N -0.313 108.333 108.800 -0.257 0.000 2.503 7117 G HA2 -0.305 3.656 3.960 0.002 0.000 0.221 7117 G HA3 -0.305 3.656 3.960 0.002 0.000 0.221 7117 G C 1.609 176.383 174.900 -0.210 0.000 1.131 7117 G CA 1.416 46.389 45.100 -0.212 0.000 0.756 7117 G HN 0.518 nan 8.290 nan 0.000 0.572 7118 L N 0.452 121.538 121.223 -0.227 0.000 1.943 7118 L HA -0.091 4.251 4.340 0.002 0.000 0.215 7118 L C 3.402 180.101 176.870 -0.286 0.000 1.074 7118 L CA 1.616 56.321 54.840 -0.225 0.000 0.759 7118 L CB -0.525 41.399 42.059 -0.225 0.000 0.888 7118 L HN 0.321 nan 8.230 nan 0.000 0.433 7119 A N -1.006 121.561 122.820 -0.421 0.000 1.971 7119 A HA -0.325 3.996 4.320 0.002 0.000 0.222 7119 A C 2.324 179.643 177.584 -0.442 0.000 1.182 7119 A CA 2.229 53.942 52.037 -0.539 0.000 0.649 7119 A CB -1.470 16.925 19.000 -1.008 0.000 0.818 7119 A HN 0.695 nan 8.150 nan 0.000 0.458 7120 C N -1.787 117.265 119.300 -0.413 0.000 2.436 7120 C HA -0.050 4.411 4.460 0.002 0.000 0.277 7120 C C 3.203 178.049 174.990 -0.240 0.000 1.241 7120 C CA 1.355 60.145 59.018 -0.381 0.000 1.721 7120 C CB -1.225 26.375 27.740 -0.234 0.000 2.043 7120 C HN 0.630 nan 8.230 nan 0.000 0.472 7121 S N -0.473 115.126 115.700 -0.168 0.000 2.440 7121 S HA -0.138 4.333 4.470 0.002 0.000 0.238 7121 S C 1.776 176.278 174.600 -0.164 0.000 1.010 7121 S CA 1.250 59.395 58.200 -0.092 0.000 0.972 7121 S CB -0.248 62.907 63.200 -0.074 0.000 0.774 7121 S HN 0.608 nan 8.310 nan 0.000 0.501 7122 Q N -0.656 119.013 119.800 -0.219 0.000 2.247 7122 Q HA 0.183 4.524 4.340 0.002 0.000 0.211 7122 Q C -0.504 175.411 176.000 -0.142 0.000 0.861 7122 Q CA -0.204 55.493 55.803 -0.176 0.000 0.949 7122 Q CB 0.165 28.803 28.738 -0.167 0.000 1.115 7122 Q HN 0.465 nan 8.270 nan 0.000 0.507 7123 Y N 1.022 120.988 120.300 -0.557 0.000 2.709 7123 Y HA 0.078 4.629 4.550 0.002 0.000 0.348 7123 Y C 1.732 177.332 175.900 -0.499 0.000 1.267 7123 Y CA 1.779 59.580 58.100 -0.498 0.000 1.486 7123 Y CB 0.259 38.401 38.460 -0.529 0.000 1.356 7123 Y HN 0.465 nan 8.280 nan 0.000 0.639 7124 G N 1.911 110.734 108.800 0.039 0.000 2.284 7124 G HA2 -0.399 3.563 3.960 0.002 0.000 0.261 7124 G HA3 -0.399 3.563 3.960 0.002 0.000 0.261 7124 G C 1.090 176.037 174.900 0.078 0.000 0.997 7124 G CA 1.108 46.335 45.100 0.213 0.000 0.621 7124 G HN 0.779 nan 8.290 nan 0.000 0.534 7125 H N -0.069 119.003 119.070 0.003 0.000 2.476 7125 H HA 0.401 4.958 4.556 0.002 0.000 0.292 7125 H C 2.654 177.958 175.328 -0.039 0.000 1.019 7125 H CA 1.158 57.128 56.048 -0.130 0.000 1.330 7125 H CB 0.085 29.747 29.762 -0.167 0.000 1.451 7125 H HN 0.582 nan 8.280 nan 0.000 0.535 7126 I N -2.488 118.187 120.570 0.175 0.000 3.783 7126 I HA 0.121 4.292 4.170 0.002 0.000 0.310 7126 I C 0.383 176.635 176.117 0.226 0.000 1.274 7126 I CA -0.307 61.097 61.300 0.174 0.000 1.294 7126 I CB -0.191 37.908 38.000 0.165 0.000 1.051 7126 I HN -0.064 nan 8.210 nan 0.000 0.435 7127 F N 2.780 122.760 119.950 0.051 0.000 2.628 7127 F HA -0.124 4.404 4.527 0.002 0.000 0.362 7127 F C 1.294 177.111 175.800 0.028 0.000 1.106 7127 F CA 0.734 58.733 58.000 -0.001 0.000 1.333 7127 F CB 0.449 39.404 39.000 -0.075 0.000 0.996 7127 F HN 0.023 nan 8.300 nan 0.000 0.608 7128 R N 2.181 122.541 120.500 -0.233 0.000 3.062 7128 R HA 0.347 4.689 4.340 0.002 0.000 0.161 7128 R C -0.684 175.523 176.300 -0.154 0.000 0.778 7128 R CA -0.147 55.960 56.100 0.012 0.000 1.168 7128 R CB 0.466 30.763 30.300 -0.005 0.000 1.618 7128 R HN 0.595 nan 8.270 nan 0.000 0.566 7129 R N 0.212 120.374 120.500 -0.562 0.000 2.799 7129 R HA 0.468 4.809 4.340 0.002 0.000 0.270 7129 R C -2.747 173.180 176.300 -0.621 0.000 1.010 7129 R CA -1.936 53.938 56.100 -0.377 0.000 0.916 7129 R CB 1.350 31.564 30.300 -0.143 0.000 1.228 7129 R HN -0.049 nan 8.270 nan 0.000 0.469 7130 P HA 0.373 nan 4.420 nan 0.000 0.278 7130 P C -0.393 176.935 177.300 0.048 0.000 1.266 7130 P CA -0.535 62.522 63.100 -0.072 0.000 0.807 7130 P CB 1.209 32.977 31.700 0.114 0.000 1.094 7131 K N -0.718 119.790 120.400 0.180 0.000 2.631 7131 K HA 0.275 4.596 4.320 0.002 0.000 0.200 7131 K C 1.025 177.661 176.600 0.060 0.000 1.481 7131 K CA 0.284 56.639 56.287 0.113 0.000 1.087 7131 K CB 0.546 33.070 32.500 0.040 0.000 1.502 7131 K HN 0.606 nan 8.250 nan 0.000 0.560 7132 G N 1.205 109.943 108.800 -0.104 0.000 3.107 7132 G HA2 0.534 4.495 3.960 0.002 0.000 0.232 7132 G HA3 0.534 4.495 3.960 0.002 0.000 0.232 7132 G C -1.416 173.174 174.900 -0.517 0.000 1.339 7132 G CA -0.479 44.360 45.100 -0.435 0.000 1.033 7132 G HN -0.032 nan 8.290 nan 0.000 0.567 7133 L N 0.288 121.095 121.223 -0.694 0.000 2.272 7133 L HA 0.604 4.945 4.340 0.002 0.000 0.289 7133 L C -1.262 175.315 176.870 -0.488 0.000 1.032 7133 L CA -0.556 54.026 54.840 -0.429 0.000 0.810 7133 L CB 0.747 42.548 42.059 -0.430 0.000 1.205 7133 L HN 0.247 nan 8.230 nan 0.000 0.422 7134 F N 5.948 125.835 119.950 -0.106 0.000 2.410 7134 F HA 0.496 5.024 4.527 0.002 0.000 0.349 7134 F C 0.133 175.877 175.800 -0.093 0.000 1.117 7134 F CA -0.368 57.569 58.000 -0.105 0.000 1.104 7134 F CB 0.819 39.778 39.000 -0.067 0.000 1.122 7134 F HN 0.204 nan 8.300 nan 0.000 0.483 7135 I N 2.798 123.361 120.570 -0.011 0.000 2.448 7135 I HA 0.196 4.368 4.170 0.002 0.000 0.281 7135 I C -0.128 175.977 176.117 -0.020 0.000 1.027 7135 I CA -0.403 60.883 61.300 -0.024 0.000 1.111 7135 I CB 1.473 39.408 38.000 -0.108 0.000 1.236 7135 I HN 0.585 nan 8.210 nan 0.000 0.452 7136 S N 5.220 120.934 115.700 0.024 0.000 2.610 7136 S HA 0.328 4.800 4.470 0.002 0.000 0.273 7136 S C 1.060 175.674 174.600 0.024 0.000 1.274 7136 S CA -0.431 57.782 58.200 0.021 0.000 1.023 7136 S CB 1.147 64.362 63.200 0.026 0.000 0.962 7136 S HN 0.638 nan 8.310 nan 0.000 0.523 7137 I N 3.513 124.102 120.570 0.031 0.000 2.614 7137 I HA -0.066 4.105 4.170 0.002 0.000 0.258 7137 I C 1.949 178.096 176.117 0.050 0.000 1.189 7137 I CA 1.130 62.455 61.300 0.041 0.000 1.462 7137 I CB -0.207 37.831 38.000 0.063 0.000 1.092 7137 I HN 0.735 nan 8.210 nan 0.000 0.442 7138 S N 0.459 116.189 115.700 0.051 0.000 2.469 7138 S HA -0.130 4.342 4.470 0.002 0.000 0.238 7138 S C 1.282 175.934 174.600 0.087 0.000 0.998 7138 S CA 1.119 59.354 58.200 0.058 0.000 0.957 7138 S CB -0.320 62.907 63.200 0.045 0.000 0.764 7138 S HN 0.538 nan 8.310 nan 0.000 0.514 7139 D N 1.297 121.749 120.400 0.087 0.000 2.350 7139 D HA 0.003 4.645 4.640 0.002 0.000 0.213 7139 D C 0.693 177.063 176.300 0.117 0.000 1.031 7139 D CA 0.025 54.105 54.000 0.133 0.000 0.861 7139 D CB -0.083 40.776 40.800 0.098 0.000 0.926 7139 D HN 0.545 nan 8.370 nan 0.000 0.520 7140 R N 0.230 120.764 120.500 0.056 0.000 2.485 7140 R HA 0.164 4.505 4.340 0.002 0.000 0.304 7140 R C 0.942 177.180 176.300 -0.104 0.000 0.934 7140 R CA 1.015 57.114 56.100 -0.002 0.000 1.102 7140 R CB -0.280 30.026 30.300 0.011 0.000 0.906 7140 R HN 0.021 nan 8.270 nan 0.000 0.407 7141 G N 2.149 110.843 108.800 -0.176 0.000 2.179 7141 G HA2 -0.226 3.735 3.960 0.002 0.000 0.220 7141 G HA3 -0.226 3.735 3.960 0.002 0.000 0.220 7141 G C 0.309 174.815 174.900 -0.657 0.000 0.990 7141 G CA 0.138 45.007 45.100 -0.386 0.000 0.646 7141 G HN 0.791 nan 8.290 nan 0.000 0.517 7142 H N -0.979 118.104 119.070 0.022 0.000 3.398 7142 H HA 0.284 4.841 4.556 0.002 0.000 0.260 7142 H C 2.324 177.668 175.328 0.027 0.000 1.189 7142 H CA 0.470 56.531 56.048 0.022 0.000 1.145 7142 H CB 0.132 29.907 29.762 0.021 0.000 1.599 7142 H HN 0.196 nan 8.280 nan 0.000 0.615 7143 V N 1.805 121.771 119.914 0.087 0.000 2.280 7143 V HA -0.403 3.718 4.120 0.002 0.000 0.258 7143 V C 2.873 179.016 176.094 0.082 0.000 1.081 7143 V CA 2.611 64.960 62.300 0.082 0.000 1.070 7143 V CB -0.456 31.406 31.823 0.065 0.000 0.666 7143 V HN 0.253 nan 8.190 nan 0.000 0.450 7144 R N 1.247 121.781 120.500 0.057 0.000 2.112 7144 R HA -0.195 4.146 4.340 0.002 0.000 0.242 7144 R C 2.446 178.781 176.300 0.057 0.000 1.137 7144 R CA 2.507 58.632 56.100 0.042 0.000 0.944 7144 R CB -1.215 29.100 30.300 0.025 0.000 0.857 7144 R HN 0.667 nan 8.270 nan 0.000 0.435 7145 S N 0.045 115.792 115.700 0.078 0.000 2.370 7145 S HA -0.177 4.294 4.470 0.002 0.000 0.226 7145 S C 2.118 176.766 174.600 0.080 0.000 1.033 7145 S CA 1.544 59.787 58.200 0.071 0.000 1.011 7145 S CB -0.513 62.733 63.200 0.076 0.000 0.852 7145 S HN 0.297 nan 8.310 nan 0.000 0.457 7146 I N 1.622 122.250 120.570 0.097 0.000 2.099 7146 I HA -0.183 3.988 4.170 0.002 0.000 0.239 7146 I C 2.352 178.551 176.117 0.138 0.000 1.066 7146 I CA 1.051 62.419 61.300 0.113 0.000 1.324 7146 I CB -0.653 37.412 38.000 0.108 0.000 1.037 7146 I HN 0.107 nan 8.210 nan 0.000 0.401 7147 V N 0.866 120.855 119.914 0.124 0.000 2.363 7147 V HA -0.392 3.729 4.120 0.002 0.000 0.254 7147 V C 1.890 178.082 176.094 0.163 0.000 1.074 7147 V CA 2.262 64.651 62.300 0.148 0.000 1.069 7147 V CB -0.872 31.006 31.823 0.091 0.000 0.659 7147 V HN 0.486 nan 8.190 nan 0.000 0.455 7148 D N -0.258 120.198 120.400 0.094 0.000 2.269 7148 D HA -0.092 4.550 4.640 0.002 0.000 0.208 7148 D C 1.808 178.168 176.300 0.099 0.000 0.963 7148 D CA 0.781 54.816 54.000 0.060 0.000 0.864 7148 D CB -0.340 40.472 40.800 0.019 0.000 0.936 7148 D HN 0.443 nan 8.370 nan 0.000 0.505 7149 N N 0.131 118.913 118.700 0.137 0.000 2.459 7149 N HA -0.099 4.643 4.740 0.002 0.000 0.181 7149 N C 0.292 175.915 175.510 0.188 0.000 1.046 7149 N CA 0.103 53.234 53.050 0.134 0.000 0.904 7149 N CB -0.124 38.446 38.487 0.138 0.000 0.964 7149 N HN 0.384 nan 8.380 nan 0.000 0.444 7150 W N 3.662 125.002 121.300 0.066 0.000 2.381 7150 W HA 0.035 4.697 4.660 0.002 0.000 0.321 7150 W C -1.370 175.197 176.519 0.081 0.000 1.407 7150 W CA -1.396 55.999 57.345 0.083 0.000 1.274 7150 W CB 0.878 30.419 29.460 0.134 0.000 1.310 7150 W HN 0.109 nan 8.180 nan 0.000 0.551 7151 P HA -0.162 nan 4.420 nan 0.000 0.222 7151 P C 0.051 177.103 177.300 -0.413 0.000 1.147 7151 P CA 1.493 64.273 63.100 -0.534 0.000 0.790 7151 P CB 0.203 31.564 31.700 -0.565 0.000 0.780 7152 E N 0.724 120.595 120.200 -0.547 0.000 2.259 7152 E HA 0.085 4.436 4.350 0.002 0.000 0.281 7152 E C 1.044 177.749 176.600 0.175 0.000 1.037 7152 E CA -0.217 56.117 56.400 -0.110 0.000 0.854 7152 E CB 0.315 30.035 29.700 0.033 0.000 1.051 7152 E HN 0.132 nan 8.360 nan 0.000 0.409 7153 N N 1.421 120.213 118.700 0.154 0.000 2.207 7153 N HA -0.111 4.630 4.740 0.002 0.000 0.182 7153 N C 0.198 175.953 175.510 0.410 0.000 1.020 7153 N CA 1.004 54.178 53.050 0.208 0.000 0.858 7153 N CB 0.006 38.541 38.487 0.081 0.000 0.991 7153 N HN 0.406 nan 8.380 nan 0.000 0.427 7154 H N 0.272 119.475 119.070 0.221 0.000 2.476 7154 H HA 0.509 5.067 4.556 0.002 0.000 0.328 7154 H C -1.047 174.305 175.328 0.040 0.000 1.073 7154 H CA -0.720 55.442 56.048 0.190 0.000 1.229 7154 H CB 1.014 30.836 29.762 0.100 0.000 1.432 7154 H HN -0.312 nan 8.280 nan 0.000 0.477 7155 V N 6.022 125.929 119.914 -0.012 0.000 2.686 7155 V HA 0.265 4.386 4.120 0.002 0.000 0.306 7155 V C 0.214 176.119 176.094 -0.315 0.000 1.065 7155 V CA -0.652 61.416 62.300 -0.386 0.000 0.894 7155 V CB 2.090 33.296 31.823 -1.027 0.000 1.004 7155 V HN 0.762 nan 8.190 nan 0.000 0.424 7156 K N 2.519 122.763 120.400 -0.261 0.000 2.474 7156 K HA 0.454 4.775 4.320 0.002 0.000 0.204 7156 K C 0.300 176.821 176.600 -0.132 0.000 1.220 7156 K CA 0.397 56.574 56.287 -0.184 0.000 0.966 7156 K CB 1.869 34.261 32.500 -0.181 0.000 1.049 7156 K HN 0.615 nan 8.250 nan 0.000 0.554 7157 A N 1.748 124.470 122.820 -0.163 0.000 2.318 7157 A HA 0.641 4.963 4.320 0.002 0.000 0.317 7157 A C -0.788 176.653 177.584 -0.238 0.000 1.159 7157 A CA -0.493 51.453 52.037 -0.151 0.000 0.799 7157 A CB 1.398 20.321 19.000 -0.127 0.000 1.194 7157 A HN -0.075 nan 8.150 nan 0.000 0.479 7158 V N 2.709 122.495 119.914 -0.214 0.000 2.760 7158 V HA 0.526 4.647 4.120 0.002 0.000 0.309 7158 V C -0.881 175.074 176.094 -0.231 0.000 1.077 7158 V CA -0.466 61.693 62.300 -0.236 0.000 0.910 7158 V CB 2.222 33.946 31.823 -0.165 0.000 1.008 7158 V HN 0.717 nan 8.190 nan 0.000 0.424 7159 V N 5.256 124.998 119.914 -0.287 0.000 2.380 7159 V HA 0.518 4.640 4.120 0.002 0.000 0.286 7159 V C -0.150 175.775 176.094 -0.282 0.000 1.015 7159 V CA -0.570 61.562 62.300 -0.279 0.000 0.834 7159 V CB 1.565 33.183 31.823 -0.343 0.000 1.009 7159 V HN 0.653 nan 8.190 nan 0.000 0.428 7160 V N 2.341 122.087 119.914 -0.281 0.000 3.234 7160 V HA 0.959 5.080 4.120 0.002 0.000 0.317 7160 V C 0.237 176.180 176.094 -0.252 0.000 1.081 7160 V CA -0.397 61.679 62.300 -0.373 0.000 1.037 7160 V CB 1.713 33.189 31.823 -0.578 0.000 1.148 7160 V HN 0.929 nan 8.190 nan 0.000 0.453 7161 T N -0.596 113.722 114.554 -0.393 0.000 2.722 7161 T HA 0.381 4.732 4.350 0.002 0.000 0.314 7161 T C -1.699 172.545 174.700 -0.760 0.000 1.675 7161 T CA 0.147 61.883 62.100 -0.607 0.000 1.003 7161 T CB 1.953 70.609 68.868 -0.353 0.000 1.602 7161 T HN 1.003 nan 8.240 nan 0.000 0.496 7162 D N -0.021 119.851 120.400 -0.882 0.000 2.582 7162 D HA 0.277 4.918 4.640 0.002 0.000 0.246 7162 D C 1.438 177.551 176.300 -0.311 0.000 1.334 7162 D CA 0.521 54.210 54.000 -0.519 0.000 0.805 7162 D CB -0.268 40.254 40.800 -0.463 0.000 1.087 7162 D HN 1.332 nan 8.370 nan 0.000 0.499 7163 G N 1.451 110.080 108.800 -0.285 0.000 2.280 7163 G HA2 -0.457 3.504 3.960 0.002 0.000 0.282 7163 G HA3 -0.457 3.504 3.960 0.002 0.000 0.282 7163 G C 0.811 175.643 174.900 -0.114 0.000 1.000 7163 G CA 1.038 46.053 45.100 -0.141 0.000 0.751 7163 G HN 0.512 nan 8.290 nan 0.000 0.515 7164 E N -0.527 119.580 120.200 -0.155 0.000 2.204 7164 E HA -0.011 4.340 4.350 0.002 0.000 0.194 7164 E C 1.668 178.238 176.600 -0.051 0.000 0.989 7164 E CA 0.515 56.860 56.400 -0.092 0.000 0.824 7164 E CB 0.012 29.662 29.700 -0.083 0.000 0.756 7164 E HN 0.434 nan 8.360 nan 0.000 0.477 7165 R N 1.046 121.519 120.500 -0.045 0.000 2.674 7165 R HA 0.190 4.531 4.340 0.002 0.000 0.270 7165 R C -0.822 175.465 176.300 -0.023 0.000 1.492 7165 R CA -0.353 55.736 56.100 -0.017 0.000 1.624 7165 R CB 0.712 31.021 30.300 0.015 0.000 1.307 7165 R HN 0.137 nan 8.270 nan 0.000 0.683 7166 I N 3.812 124.363 120.570 -0.032 0.000 2.624 7166 I HA -0.045 4.126 4.170 0.002 0.000 0.307 7166 I C 1.315 177.407 176.117 -0.041 0.000 1.191 7166 I CA 0.938 62.216 61.300 -0.036 0.000 1.708 7166 I CB -1.365 36.617 38.000 -0.030 0.000 1.521 7166 I HN 0.531 nan 8.210 nan 0.000 0.805 7167 L N 3.500 124.702 121.223 -0.035 0.000 7.357 7167 L HA -0.249 4.093 4.340 0.002 0.000 0.053 7167 L C 1.251 178.099 176.870 -0.036 0.000 1.534 7167 L CA 1.073 55.888 54.840 -0.042 0.000 1.544 7167 L CB -1.391 40.622 42.059 -0.077 0.000 2.835 7167 L HN 0.587 nan 8.230 nan 0.000 1.139 7168 G N -0.401 108.372 108.800 -0.045 0.000 3.709 7168 G HA2 0.464 4.425 3.960 0.002 0.000 0.272 7168 G HA3 0.464 4.425 3.960 0.002 0.000 0.272 7168 G C 0.264 175.140 174.900 -0.040 0.000 1.259 7168 G CA -0.065 45.012 45.100 -0.039 0.000 1.512 7168 G HN 0.215 nan 8.290 nan 0.000 0.625 7169 L N -0.558 120.642 121.223 -0.038 0.000 3.039 7169 L HA 0.395 4.736 4.340 0.002 0.000 0.269 7169 L C 1.587 178.443 176.870 -0.023 0.000 1.169 7169 L CA 0.466 55.286 54.840 -0.033 0.000 0.986 7169 L CB -0.178 41.858 42.059 -0.038 0.000 1.377 7169 L HN 0.446 nan 8.230 nan 0.000 0.575 7170 G N -0.072 108.714 108.800 -0.023 0.000 2.601 7170 G HA2 -0.303 3.658 3.960 0.002 0.000 0.252 7170 G HA3 -0.303 3.658 3.960 0.002 0.000 0.252 7170 G C -0.225 174.661 174.900 -0.024 0.000 1.294 7170 G CA -0.128 44.958 45.100 -0.022 0.000 0.912 7170 G HN 0.171 nan 8.290 nan 0.000 0.574 7171 D N 0.534 120.914 120.400 -0.033 0.000 2.487 7171 D HA 0.298 4.939 4.640 0.002 0.000 0.243 7171 D C 1.154 177.435 176.300 -0.031 0.000 1.154 7171 D CA 0.465 54.439 54.000 -0.043 0.000 0.876 7171 D CB 0.260 41.023 40.800 -0.062 0.000 1.161 7171 D HN 0.420 nan 8.370 nan 0.000 0.478 7172 L N 3.160 124.379 121.223 -0.008 0.000 3.483 7172 L HA 0.224 4.566 4.340 0.002 0.000 0.327 7172 L C 1.575 178.494 176.870 0.082 0.000 1.318 7172 L CA -0.297 54.579 54.840 0.060 0.000 0.979 7172 L CB 0.271 42.412 42.059 0.136 0.000 1.404 7172 L HN 0.619 nan 8.230 nan 0.000 0.615 7173 G N 1.813 110.617 108.800 0.006 0.000 2.627 7173 G HA2 -0.449 3.513 3.960 0.002 0.000 0.400 7173 G HA3 -0.449 3.513 3.960 0.002 0.000 0.400 7173 G C 1.131 176.118 174.900 0.145 0.000 1.334 7173 G CA 1.582 46.724 45.100 0.070 0.000 0.960 7173 G HN 0.398 nan 8.290 nan 0.000 0.533 7174 V N -1.988 118.054 119.914 0.215 0.000 3.241 7174 V HA 0.060 4.181 4.120 0.002 0.000 0.269 7174 V C 2.123 178.469 176.094 0.421 0.000 1.151 7174 V CA 2.327 64.753 62.300 0.209 0.000 1.158 7174 V CB -0.972 30.903 31.823 0.086 0.000 0.764 7174 V HN 0.679 nan 8.190 nan 0.000 0.508 7175 Y N 1.668 122.168 120.300 0.333 0.000 2.574 7175 Y HA 0.135 4.686 4.550 0.002 0.000 0.294 7175 Y C 2.065 178.159 175.900 0.323 0.000 1.142 7175 Y CA -0.205 58.157 58.100 0.438 0.000 1.314 7175 Y CB -0.056 38.593 38.460 0.314 0.000 0.991 7175 Y HN 0.527 nan 8.280 nan 0.000 0.555 7179 I N 1.582 122.135 120.570 -0.028 0.000 2.405 7179 I HA 0.147 4.319 4.170 0.002 0.000 0.236 7179 I C -0.409 175.719 176.117 0.019 0.000 1.071 7179 I CA 0.045 61.380 61.300 0.058 0.000 1.398 7179 I CB -1.640 36.379 38.000 0.030 0.000 1.162 7179 I HN -0.136 nan 8.210 nan 0.000 0.432 7180 P HA -0.124 nan 4.420 nan 0.000 0.218 7180 P C 2.128 179.345 177.300 -0.138 0.000 1.146 7180 P CA 1.159 64.164 63.100 -0.159 0.000 0.820 7180 P CB -0.001 31.566 31.700 -0.223 0.000 0.778 7181 V N -0.442 119.427 119.914 -0.075 0.000 2.343 7181 V HA -0.191 3.930 4.120 0.002 0.000 0.247 7181 V C 2.540 178.623 176.094 -0.019 0.000 1.051 7181 V CA 2.505 64.774 62.300 -0.050 0.000 1.036 7181 V CB -1.816 30.014 31.823 0.011 0.000 0.654 7181 V HN 0.193 nan 8.190 nan 0.000 0.451 7182 G N -0.675 108.153 108.800 0.046 0.000 2.404 7182 G HA2 -0.220 3.741 3.960 0.002 0.000 0.214 7182 G HA3 -0.220 3.741 3.960 0.002 0.000 0.214 7182 G C 1.599 176.473 174.900 -0.044 0.000 1.189 7182 G CA 0.868 46.037 45.100 0.115 0.000 0.789 7182 G HN 0.422 nan 8.290 nan 0.000 0.533 7183 K N -0.503 119.783 120.400 -0.189 0.000 2.000 7183 K HA -0.107 4.214 4.320 0.002 0.000 0.218 7183 K C 2.386 178.997 176.600 0.019 0.000 1.053 7183 K CA 1.330 57.461 56.287 -0.259 0.000 0.946 7183 K CB -0.435 31.861 32.500 -0.338 0.000 0.723 7183 K HN 0.128 nan 8.250 nan 0.000 0.446 7184 L N 0.816 121.955 121.223 -0.141 0.000 2.263 7184 L HA -0.261 4.081 4.340 0.002 0.000 0.216 7184 L C 2.330 179.291 176.870 0.152 0.000 1.111 7184 L CA 1.359 56.130 54.840 -0.116 0.000 0.773 7184 L CB -1.225 40.694 42.059 -0.233 0.000 0.906 7184 L HN 0.429 nan 8.230 nan 0.000 0.439 7185 C N -1.174 118.219 119.300 0.155 0.000 2.440 7185 C HA -0.114 4.348 4.460 0.002 0.000 0.278 7185 C C 2.723 177.922 174.990 0.348 0.000 1.295 7185 C CA 0.390 59.574 59.018 0.277 0.000 1.738 7185 C CB -0.617 27.234 27.740 0.186 0.000 1.987 7185 C HN 0.469 nan 8.230 nan 0.000 0.492 7186 L N -1.680 119.706 121.223 0.272 0.000 2.162 7186 L HA -0.038 4.304 4.340 0.002 0.000 0.205 7186 L C 2.359 179.415 176.870 0.311 0.000 1.086 7186 L CA 1.099 56.095 54.840 0.260 0.000 0.778 7186 L CB -0.786 41.406 42.059 0.222 0.000 0.928 7186 L HN 0.259 nan 8.230 nan 0.000 0.446 7187 Y N 1.061 121.497 120.300 0.227 0.000 2.114 7187 Y HA -0.316 4.236 4.550 0.002 0.000 0.282 7187 Y C 2.857 178.816 175.900 0.099 0.000 1.165 7187 Y CA 2.201 60.414 58.100 0.189 0.000 1.148 7187 Y CB -0.811 37.730 38.460 0.135 0.000 0.972 7187 Y HN 0.133 nan 8.280 nan 0.000 0.504 7188 T N -0.591 114.132 114.554 0.282 0.000 2.770 7188 T HA -0.109 4.242 4.350 0.002 0.000 0.258 7188 T C 2.208 177.020 174.700 0.186 0.000 1.039 7188 T CA 1.231 63.400 62.100 0.115 0.000 1.143 7188 T CB -0.803 67.983 68.868 -0.136 0.000 0.866 7188 T HN 0.386 nan 8.240 nan 0.000 0.428 7189 A N 0.562 123.599 122.820 0.362 0.000 1.948 7189 A HA -0.158 4.163 4.320 0.002 0.000 0.220 7189 A C 2.522 180.200 177.584 0.156 0.000 1.177 7189 A CA 1.864 54.099 52.037 0.330 0.000 0.636 7189 A CB -1.153 18.043 19.000 0.326 0.000 0.815 7189 A HN 0.674 nan 8.150 nan 0.000 0.449 7190 C N -2.587 116.770 119.300 0.095 0.000 2.700 7190 C HA 0.552 5.014 4.460 0.002 0.000 0.297 7190 C C 2.930 177.908 174.990 -0.020 0.000 1.293 7190 C CA 0.127 59.151 59.018 0.010 0.000 1.756 7190 C CB -0.466 27.236 27.740 -0.064 0.000 2.210 7190 C HN 0.707 nan 8.230 nan 0.000 0.553 7191 A N -0.073 122.739 122.820 -0.014 0.000 1.944 7191 A HA 0.523 4.844 4.320 0.002 0.000 0.207 7191 A C 1.830 179.419 177.584 0.009 0.000 1.265 7191 A CA 1.401 53.418 52.037 -0.034 0.000 0.712 7191 A CB -0.566 18.389 19.000 -0.075 0.000 0.915 7191 A HN 1.092 nan 8.150 nan 0.000 0.470 7192 G N -1.092 107.741 108.800 0.055 0.000 2.227 7192 G HA2 -0.097 3.864 3.960 0.002 0.000 0.168 7192 G HA3 -0.097 3.864 3.960 0.002 0.000 0.168 7192 G C 0.088 175.048 174.900 0.100 0.000 1.006 7192 G CA -0.152 45.009 45.100 0.102 0.000 0.684 7192 G HN 0.371 nan 8.290 nan 0.000 0.489 7193 I N 3.160 123.758 120.570 0.047 0.000 2.792 7193 I HA 0.040 4.212 4.170 0.002 0.000 0.284 7193 I C 1.251 177.301 176.117 -0.112 0.000 1.166 7193 I CA -0.265 61.039 61.300 0.007 0.000 1.375 7193 I CB 0.129 38.179 38.000 0.083 0.000 1.421 7193 I HN 0.081 nan 8.210 nan 0.000 0.544 7194 R N 8.280 128.677 120.500 -0.172 0.000 2.669 7194 R HA -0.131 4.210 4.340 0.002 0.000 0.283 7194 R C -1.258 174.738 176.300 -0.506 0.000 0.851 7194 R CA -0.379 55.452 56.100 -0.449 0.000 1.126 7194 R CB -0.016 30.113 30.300 -0.285 0.000 0.883 7194 R HN 0.454 nan 8.270 nan 0.000 0.418 7195 P HA -0.189 nan 4.420 nan 0.000 0.214 7195 P C 0.344 177.466 177.300 -0.297 0.000 1.163 7195 P CA 1.449 64.218 63.100 -0.551 0.000 0.889 7195 P CB 0.017 31.277 31.700 -0.733 0.000 0.790 7196 D N -0.599 119.626 120.400 -0.292 0.000 2.392 7196 D HA -0.121 4.521 4.640 0.002 0.000 0.228 7196 D C 1.401 177.652 176.300 -0.082 0.000 1.003 7196 D CA 0.589 54.512 54.000 -0.129 0.000 0.917 7196 D CB -0.650 40.084 40.800 -0.110 0.000 0.890 7196 D HN 0.324 nan 8.370 nan 0.000 0.532 7197 R N -0.221 120.189 120.500 -0.149 0.000 2.432 7197 R HA 0.229 4.571 4.340 0.002 0.000 0.260 7197 R C -0.199 176.002 176.300 -0.166 0.000 0.935 7197 R CA -0.127 55.883 56.100 -0.149 0.000 1.080 7197 R CB 0.409 30.602 30.300 -0.179 0.000 1.155 7197 R HN 0.129 nan 8.270 nan 0.000 0.531 7198 C N 1.327 120.538 119.300 -0.149 0.000 2.417 7198 C HA 0.644 5.105 4.460 0.002 0.000 0.324 7198 C C -0.296 174.591 174.990 -0.171 0.000 1.240 7198 C CA -1.190 57.717 59.018 -0.184 0.000 1.632 7198 C CB 1.149 28.779 27.740 -0.184 0.000 2.241 7198 C HN 0.357 nan 8.230 nan 0.000 0.499 7199 L N 5.169 126.224 121.223 -0.279 0.000 2.504 7199 L HA 0.615 4.957 4.340 0.002 0.000 0.265 7199 L C -2.711 173.891 176.870 -0.447 0.000 0.975 7199 L CA -1.321 53.278 54.840 -0.401 0.000 0.864 7199 L CB 1.820 43.540 42.059 -0.565 0.000 1.212 7199 L HN 0.452 nan 8.230 nan 0.000 0.416 7200 P HA 0.317 nan 4.420 nan 0.000 0.279 7200 P C -1.256 175.746 177.300 -0.497 0.000 1.239 7200 P CA -0.198 62.663 63.100 -0.398 0.000 0.789 7200 P CB 1.914 33.432 31.700 -0.304 0.000 0.933 7201 V N 2.778 122.414 119.914 -0.464 0.000 2.711 7201 V HA 0.243 4.365 4.120 0.002 0.000 0.304 7201 V C 0.036 175.818 176.094 -0.518 0.000 1.097 7201 V CA -0.518 61.460 62.300 -0.536 0.000 0.906 7201 V CB 2.107 33.635 31.823 -0.492 0.000 1.015 7201 V HN 0.869 nan 8.190 nan 0.000 0.427 7202 C N 6.162 125.118 119.300 -0.573 0.000 2.505 7202 C HA 0.860 5.321 4.460 0.002 0.000 0.358 7202 C C -0.555 174.192 174.990 -0.406 0.000 1.226 7202 C CA -0.406 58.349 59.018 -0.438 0.000 1.900 7202 C CB 0.950 28.486 27.740 -0.339 0.000 2.306 7202 C HN 0.849 nan 8.230 nan 0.000 0.512 7203 I N 3.238 123.618 120.570 -0.317 0.000 2.534 7203 I HA 0.265 4.437 4.170 0.002 0.000 0.286 7203 I C -1.126 174.913 176.117 -0.129 0.000 1.094 7203 I CA -0.093 61.052 61.300 -0.258 0.000 1.055 7203 I CB 1.414 39.187 38.000 -0.377 0.000 1.225 7203 I HN 0.663 nan 8.210 nan 0.000 0.435 7204 D N 5.981 126.350 120.400 -0.051 0.000 2.264 7204 D HA 0.388 5.029 4.640 0.002 0.000 0.250 7204 D C 0.064 176.377 176.300 0.022 0.000 1.113 7204 D CA 0.061 54.059 54.000 -0.003 0.000 0.871 7204 D CB 1.829 42.637 40.800 0.013 0.000 1.167 7204 D HN 0.305 nan 8.370 nan 0.000 0.447 7205 V N 1.216 121.155 119.914 0.042 0.000 3.187 7205 V HA 0.530 4.652 4.120 0.002 0.000 0.402 7205 V C 0.744 176.863 176.094 0.042 0.000 1.457 7205 V CA -0.120 62.224 62.300 0.073 0.000 1.409 7205 V CB -0.119 31.799 31.823 0.160 0.000 1.218 7205 V HN 0.805 nan 8.190 nan 0.000 0.595 7206 G N 0.218 109.041 108.800 0.040 0.000 2.587 7206 G HA2 0.174 4.135 3.960 0.002 0.000 0.212 7206 G HA3 0.174 4.135 3.960 0.002 0.000 0.212 7206 G C -0.304 174.595 174.900 -0.002 0.000 1.327 7206 G CA 0.486 45.603 45.100 0.028 0.000 0.898 7206 G HN 1.208 nan 8.290 nan 0.000 0.551 7207 T N -2.391 112.136 114.554 -0.045 0.000 2.677 7207 T HA 0.565 4.917 4.350 0.002 0.000 0.305 7207 T C -1.037 173.607 174.700 -0.094 0.000 1.569 7207 T CA 0.646 62.692 62.100 -0.090 0.000 0.984 7207 T CB 1.497 70.260 68.868 -0.175 0.000 1.629 7207 T HN 0.567 nan 8.240 nan 0.000 0.494 7208 D N 0.530 120.870 120.400 -0.101 0.000 2.514 7208 D HA 0.199 4.841 4.640 0.002 0.000 0.225 7208 D C 0.160 176.406 176.300 -0.090 0.000 1.159 7208 D CA -0.126 53.825 54.000 -0.081 0.000 0.823 7208 D CB 0.283 41.046 40.800 -0.061 0.000 1.097 7208 D HN 0.369 nan 8.370 nan 0.000 0.519 7209 N N 2.603 121.231 118.700 -0.120 0.000 2.434 7209 N HA -0.042 4.699 4.740 0.002 0.000 0.273 7209 N C 1.310 176.738 175.510 -0.136 0.000 1.210 7209 N CA -0.039 52.940 53.050 -0.117 0.000 0.992 7209 N CB 0.100 38.509 38.487 -0.130 0.000 1.355 7209 N HN -0.077 nan 8.380 nan 0.000 0.495 7210 I N 2.700 123.217 120.570 -0.089 0.000 2.103 7210 I HA -0.375 3.796 4.170 0.002 0.000 0.241 7210 I C 2.262 178.332 176.117 -0.078 0.000 1.036 7210 I CA 1.598 62.854 61.300 -0.073 0.000 1.300 7210 I CB -2.036 35.941 38.000 -0.040 0.000 1.010 7210 I HN 0.544 nan 8.210 nan 0.000 0.406 7211 A N 0.483 123.269 122.820 -0.057 0.000 2.054 7211 A HA -0.215 4.107 4.320 0.002 0.000 0.223 7211 A C 2.488 180.033 177.584 -0.066 0.000 1.169 7211 A CA 1.752 53.770 52.037 -0.032 0.000 0.655 7211 A CB -0.833 18.163 19.000 -0.006 0.000 0.812 7211 A HN 0.491 nan 8.150 nan 0.000 0.462 7212 L N -1.165 119.948 121.223 -0.184 0.000 2.068 7212 L HA -0.037 4.305 4.340 0.002 0.000 0.204 7212 L C 2.093 178.697 176.870 -0.442 0.000 1.076 7212 L CA 0.882 55.473 54.840 -0.415 0.000 0.753 7212 L CB -0.364 41.273 42.059 -0.704 0.000 0.910 7212 L HN 0.376 nan 8.230 nan 0.000 0.439 7213 L N 0.390 121.429 121.223 -0.306 0.000 2.633 7213 L HA -0.153 4.189 4.340 0.002 0.000 0.235 7213 L C 1.606 178.530 176.870 0.090 0.000 1.163 7213 L CA 0.873 55.638 54.840 -0.126 0.000 0.859 7213 L CB -0.359 41.658 42.059 -0.071 0.000 0.973 7213 L HN 0.397 nan 8.230 nan 0.000 0.451 7214 K N -2.641 117.791 120.400 0.054 0.000 2.520 7214 K HA 0.187 4.508 4.320 0.002 0.000 0.206 7214 K C -0.181 176.493 176.600 0.122 0.000 1.122 7214 K CA -0.432 55.915 56.287 0.099 0.000 1.045 7214 K CB 0.450 32.978 32.500 0.046 0.000 0.932 7214 K HN -0.147 nan 8.250 nan 0.000 0.571 7215 D N 2.671 123.155 120.400 0.140 0.000 2.233 7215 D HA 0.188 4.829 4.640 0.002 0.000 0.240 7215 D C -1.501 174.930 176.300 0.220 0.000 1.074 7215 D CA -2.527 51.582 54.000 0.182 0.000 0.838 7215 D CB 1.781 42.708 40.800 0.211 0.000 1.124 7215 D HN -0.075 nan 8.370 nan 0.000 0.475 7216 P HA -0.049 nan 4.420 nan 0.000 0.230 7216 P C 0.474 177.541 177.300 -0.388 0.000 1.158 7216 P CA 0.686 63.661 63.100 -0.208 0.000 0.769 7216 P CB 0.039 31.462 31.700 -0.462 0.000 0.807 7217 F N -2.831 117.158 119.950 0.065 0.000 2.682 7217 F HA 0.231 4.759 4.527 0.002 0.000 0.308 7217 F C 1.541 177.396 175.800 0.091 0.000 1.093 7217 F CA -1.037 56.956 58.000 -0.013 0.000 1.244 7217 F CB -0.614 38.254 39.000 -0.219 0.000 1.052 7217 F HN -0.170 nan 8.300 nan 0.000 0.573 7221 L N 1.283 122.454 121.223 -0.087 0.000 2.283 7221 L HA 0.424 4.765 4.340 0.002 0.000 0.287 7221 L C -0.559 176.414 176.870 0.171 0.000 1.073 7221 L CA -0.662 54.219 54.840 0.068 0.000 0.822 7221 L CB 0.205 42.298 42.059 0.057 0.000 1.186 7221 L HN 0.417 nan 8.230 nan 0.000 0.436 7222 Y N 4.529 124.897 120.300 0.114 0.000 2.601 7222 Y HA 0.235 4.786 4.550 0.002 0.000 0.350 7222 Y C 0.812 176.736 175.900 0.040 0.000 1.230 7222 Y CA 0.337 58.498 58.100 0.102 0.000 1.733 7222 Y CB -0.401 38.093 38.460 0.057 0.000 1.497 7222 Y HN 0.606 nan 8.280 nan 0.000 0.472 7223 Q N 0.736 120.608 119.800 0.119 0.000 2.756 7223 Q HA 0.367 4.709 4.340 0.002 0.000 0.295 7223 Q C -1.428 174.583 176.000 0.017 0.000 0.903 7223 Q CA -1.303 54.541 55.803 0.067 0.000 0.768 7223 Q CB 1.216 29.994 28.738 0.067 0.000 1.472 7223 Q HN 0.150 nan 8.270 nan 0.000 0.416 7224 K N 1.049 121.454 120.400 0.008 0.000 2.187 7224 K HA 0.261 4.582 4.320 0.002 0.000 0.247 7224 K C -0.344 176.247 176.600 -0.016 0.000 1.019 7224 K CA -0.155 56.124 56.287 -0.013 0.000 0.893 7224 K CB 0.298 32.792 32.500 -0.010 0.000 1.025 7224 K HN 0.523 nan 8.250 nan 0.000 0.500 7225 R N 1.450 121.929 120.500 -0.035 0.000 2.347 7225 R HA 0.011 4.353 4.340 0.002 0.000 0.304 7225 R C -0.388 175.886 176.300 -0.043 0.000 1.072 7225 R CA 0.003 56.075 56.100 -0.048 0.000 0.980 7225 R CB 0.380 30.632 30.300 -0.079 0.000 0.986 7225 R HN 0.511 nan 8.270 nan 0.000 0.448 7226 D N 3.099 123.487 120.400 -0.020 0.000 2.383 7226 D HA 0.026 4.668 4.640 0.002 0.000 0.252 7226 D C 0.223 176.493 176.300 -0.050 0.000 1.166 7226 D CA 0.314 54.317 54.000 0.005 0.000 0.879 7226 D CB 0.791 41.632 40.800 0.068 0.000 1.164 7226 D HN 0.567 nan 8.370 nan 0.000 0.462 7227 R N 1.686 122.164 120.500 -0.037 0.000 2.487 7227 R HA 0.061 4.402 4.340 0.002 0.000 0.272 7227 R C 1.196 177.503 176.300 0.012 0.000 0.928 7227 R CA -0.202 55.853 56.100 -0.075 0.000 1.077 7227 R CB 0.409 30.661 30.300 -0.081 0.000 1.265 7227 R HN 0.527 nan 8.270 nan 0.000 0.537 7228 T N -0.878 113.707 114.554 0.051 0.000 2.732 7228 T HA -0.094 4.257 4.350 0.002 0.000 0.365 7228 T C 1.415 176.191 174.700 0.127 0.000 1.077 7228 T CA 0.159 62.304 62.100 0.074 0.000 1.044 7228 T CB 0.665 69.572 68.868 0.066 0.000 1.220 7228 T HN -0.113 nan 8.240 nan 0.000 0.517 7229 Q N 0.364 120.233 119.800 0.114 0.000 2.020 7229 Q HA -0.133 4.209 4.340 0.002 0.000 0.202 7229 Q C 2.575 178.672 176.000 0.161 0.000 0.982 7229 Q CA 2.119 58.002 55.803 0.135 0.000 0.838 7229 Q CB -0.767 28.029 28.738 0.097 0.000 0.899 7229 Q HN 0.759 nan 8.270 nan 0.000 0.423 7230 Q N -0.730 119.148 119.800 0.130 0.000 2.135 7230 Q HA -0.360 3.982 4.340 0.002 0.000 0.218 7230 Q C 1.845 177.937 176.000 0.154 0.000 1.058 7230 Q CA 2.365 58.241 55.803 0.121 0.000 0.926 7230 Q CB -1.393 27.413 28.738 0.114 0.000 1.065 7230 Q HN 0.492 nan 8.270 nan 0.000 0.433 7231 Y N 2.483 122.831 120.300 0.080 0.000 1.929 7231 Y HA -0.348 4.203 4.550 0.002 0.000 0.247 7231 Y C 1.931 177.916 175.900 0.142 0.000 1.176 7231 Y CA 2.564 60.727 58.100 0.105 0.000 1.075 7231 Y CB -0.824 37.715 38.460 0.131 0.000 0.907 7231 Y HN 0.265 nan 8.280 nan 0.000 0.499 7232 D N -0.056 120.457 120.400 0.187 0.000 2.172 7232 D HA -0.204 4.438 4.640 0.002 0.000 0.196 7232 D C 1.684 178.033 176.300 0.081 0.000 0.999 7232 D CA 1.820 55.922 54.000 0.171 0.000 0.856 7232 D CB -0.593 40.377 40.800 0.282 0.000 0.934 7232 D HN 0.501 nan 8.370 nan 0.000 0.453 7233 D N -0.237 120.208 120.400 0.075 0.000 2.097 7233 D HA -0.113 4.529 4.640 0.002 0.000 0.195 7233 D C 2.009 178.316 176.300 0.010 0.000 0.989 7233 D CA 0.301 54.334 54.000 0.055 0.000 0.827 7233 D CB -0.501 40.331 40.800 0.053 0.000 0.966 7233 D HN 0.097 nan 8.370 nan 0.000 0.456 7234 L N 1.268 122.471 121.223 -0.032 0.000 1.956 7234 L HA -0.186 4.155 4.340 0.002 0.000 0.216 7234 L C 2.064 178.896 176.870 -0.063 0.000 1.073 7234 L CA 1.604 56.409 54.840 -0.058 0.000 0.762 7234 L CB -0.871 41.128 42.059 -0.100 0.000 0.889 7234 L HN 0.010 nan 8.230 nan 0.000 0.433 7235 I N -0.246 120.221 120.570 -0.172 0.000 2.113 7235 I HA -0.346 3.825 4.170 0.002 0.000 0.242 7235 I C 2.336 178.424 176.117 -0.048 0.000 1.064 7235 I CA 1.831 63.047 61.300 -0.139 0.000 1.320 7235 I CB -1.699 36.083 38.000 -0.364 0.000 1.028 7235 I HN 0.355 nan 8.210 nan 0.000 0.406 7236 D N 0.769 121.174 120.400 0.008 0.000 2.103 7236 D HA -0.255 4.386 4.640 0.002 0.000 0.190 7236 D C 2.100 178.386 176.300 -0.024 0.000 0.997 7236 D CA 1.679 55.713 54.000 0.058 0.000 0.833 7236 D CB -0.314 40.574 40.800 0.147 0.000 0.961 7236 D HN 0.484 nan 8.370 nan 0.000 0.447 7237 E N -0.418 119.782 120.200 0.000 0.000 2.160 7237 E HA -0.173 4.178 4.350 0.002 0.000 0.195 7237 E C 0.991 177.571 176.600 -0.034 0.000 0.991 7237 E CA 0.218 56.611 56.400 -0.012 0.000 0.810 7237 E CB -0.065 29.635 29.700 0.000 0.000 0.742 7237 E HN 0.148 nan 8.360 nan 0.000 0.466 7241 A N 1.825 124.534 122.820 -0.185 0.000 1.997 7241 A HA -0.145 4.177 4.320 0.002 0.000 0.221 7241 A C 1.978 179.472 177.584 -0.151 0.000 1.172 7241 A CA 1.854 53.812 52.037 -0.132 0.000 0.645 7241 A CB -0.610 18.340 19.000 -0.084 0.000 0.813 7241 A HN 0.394 nan 8.150 nan 0.000 0.454 7242 I N -0.095 120.295 120.570 -0.299 0.000 2.296 7242 I HA -0.133 4.039 4.170 0.002 0.000 0.242 7242 I C 2.712 178.786 176.117 -0.071 0.000 1.087 7242 I CA 2.067 63.249 61.300 -0.197 0.000 1.393 7242 I CB -1.479 36.230 38.000 -0.484 0.000 1.093 7242 I HN 0.520 nan 8.210 nan 0.000 0.421 7243 T N -1.280 113.162 114.554 -0.187 0.000 2.833 7243 T HA -0.161 4.191 4.350 0.002 0.000 0.269 7243 T C 1.551 176.262 174.700 0.019 0.000 1.054 7243 T CA 1.114 63.185 62.100 -0.048 0.000 1.135 7243 T CB -0.339 68.515 68.868 -0.023 0.000 0.869 7243 T HN 0.133 nan 8.240 nan 0.000 0.466 7244 D N 1.451 121.836 120.400 -0.026 0.000 2.137 7244 D HA -0.114 4.527 4.640 0.002 0.000 0.193 7244 D C 2.262 178.538 176.300 -0.040 0.000 0.993 7244 D CA 1.199 55.188 54.000 -0.019 0.000 0.846 7244 D CB -0.390 40.386 40.800 -0.041 0.000 0.990 7244 D HN 0.281 nan 8.370 nan 0.000 0.448 7245 R N -0.669 119.766 120.500 -0.108 0.000 2.127 7245 R HA -0.149 4.192 4.340 0.002 0.000 0.238 7245 R C 1.104 177.209 176.300 -0.325 0.000 1.134 7245 R CA 1.166 57.102 56.100 -0.272 0.000 0.975 7245 R CB -0.106 29.923 30.300 -0.451 0.000 0.865 7245 R HN 0.367 nan 8.270 nan 0.000 0.447 7246 Y N -0.814 119.500 120.300 0.023 0.000 2.612 7246 Y HA 0.325 4.876 4.550 0.002 0.000 0.250 7246 Y C 0.456 176.401 175.900 0.075 0.000 1.175 7246 Y CA 0.068 58.206 58.100 0.064 0.000 1.205 7246 Y CB 1.360 39.858 38.460 0.064 0.000 1.201 7246 Y HN 0.248 nan 8.280 nan 0.000 0.532 7247 G N 0.933 109.836 108.800 0.172 0.000 2.777 7247 G HA2 -0.201 3.760 3.960 0.002 0.000 0.686 7247 G HA3 -0.201 3.760 3.960 0.002 0.000 0.686 7247 G C 0.241 175.219 174.900 0.131 0.000 1.177 7247 G CA -0.915 44.273 45.100 0.146 0.000 0.775 7247 G HN 0.170 nan 8.290 nan 0.000 0.613 7248 R N 1.565 122.142 120.500 0.129 0.000 2.237 7248 R HA -0.055 4.286 4.340 0.002 0.000 0.219 7248 R C 1.942 178.312 176.300 0.117 0.000 1.080 7248 R CA 1.390 57.580 56.100 0.149 0.000 0.995 7248 R CB -0.650 29.750 30.300 0.167 0.000 0.875 7248 R HN 0.826 nan 8.270 nan 0.000 0.462 7249 N N 0.012 118.776 118.700 0.108 0.000 2.434 7249 N HA -0.045 4.696 4.740 0.002 0.000 0.196 7249 N C -0.287 175.254 175.510 0.051 0.000 1.183 7249 N CA 0.104 53.199 53.050 0.075 0.000 0.849 7249 N CB -0.087 38.458 38.487 0.096 0.000 0.992 7249 N HN -0.204 nan 8.380 nan 0.000 0.460 7250 T N 1.239 115.825 114.554 0.053 0.000 2.869 7250 T HA 0.218 4.570 4.350 0.002 0.000 0.295 7250 T C -0.336 174.356 174.700 -0.013 0.000 0.987 7250 T CA -0.589 61.519 62.100 0.013 0.000 1.109 7250 T CB 0.330 69.211 68.868 0.021 0.000 0.932 7250 T HN 0.242 nan 8.240 nan 0.000 0.518 7251 L N 6.978 128.191 121.223 -0.016 0.000 2.315 7251 L HA 0.501 4.842 4.340 0.002 0.000 0.283 7251 L C -0.754 176.117 176.870 0.002 0.000 1.089 7251 L CA 0.295 55.150 54.840 0.024 0.000 0.833 7251 L CB -0.065 42.038 42.059 0.074 0.000 1.170 7251 L HN 0.576 nan 8.230 nan 0.000 0.442 7252 I N 5.695 126.278 120.570 0.023 0.000 2.359 7252 I HA 0.297 4.468 4.170 0.002 0.000 0.284 7252 I C -0.281 175.882 176.117 0.076 0.000 1.018 7252 I CA -0.358 60.954 61.300 0.020 0.000 1.173 7252 I CB 1.189 39.178 38.000 -0.019 0.000 1.326 7252 I HN 0.607 nan 8.210 nan 0.000 0.462 7253 Q N 5.889 125.686 119.800 -0.006 0.000 2.314 7253 Q HA 0.394 4.736 4.340 0.002 0.000 0.259 7253 Q C -1.084 174.897 176.000 -0.031 0.000 0.951 7253 Q CA -0.646 55.050 55.803 -0.178 0.000 0.909 7253 Q CB 1.417 29.993 28.738 -0.270 0.000 1.236 7253 Q HN 0.352 nan 8.270 nan 0.000 0.444 7254 F N 1.859 121.605 119.950 -0.341 0.000 2.375 7254 F HA 0.402 4.930 4.527 0.002 0.000 0.313 7254 F C 0.828 176.566 175.800 -0.104 0.000 1.176 7254 F CA -0.014 57.869 58.000 -0.195 0.000 1.142 7254 F CB 0.813 39.614 39.000 -0.332 0.000 1.275 7254 F HN 0.469 nan 8.300 nan 0.000 0.544 7255 E N -0.610 119.761 120.200 0.285 0.000 2.416 7255 E HA 0.101 4.453 4.350 0.002 0.000 0.280 7255 E C -1.327 175.405 176.600 0.220 0.000 1.055 7255 E CA -0.629 55.866 56.400 0.157 0.000 0.825 7255 E CB 1.546 31.240 29.700 -0.009 0.000 1.312 7255 E HN 0.431 nan 8.360 nan 0.000 0.452 7256 D N 1.226 121.684 120.400 0.096 0.000 2.861 7256 D HA -0.232 4.409 4.640 0.002 0.000 0.216 7256 D C 0.323 176.642 176.300 0.033 0.000 1.220 7256 D CA 0.996 55.025 54.000 0.047 0.000 0.602 7256 D CB -0.943 39.842 40.800 -0.024 0.000 1.007 7256 D HN 0.187 nan 8.370 nan 0.000 0.400 7257 F N 0.083 120.056 119.950 0.039 0.000 2.173 7257 F HA 0.412 4.940 4.527 0.002 0.000 0.219 7257 F C 2.047 177.904 175.800 0.095 0.000 0.794 7257 F CA 0.329 58.388 58.000 0.097 0.000 1.131 7257 F CB 0.361 39.493 39.000 0.219 0.000 2.087 7257 F HN -0.041 nan 8.300 nan 0.000 0.628 7258 G N 0.875 109.922 108.800 0.412 0.000 4.373 7258 G HA2 0.203 4.165 3.960 0.002 0.000 0.337 7258 G HA3 0.203 4.165 3.960 0.002 0.000 0.337 7258 G C 0.094 175.136 174.900 0.236 0.000 1.442 7258 G CA -0.301 44.937 45.100 0.231 0.000 1.150 7258 G HN 0.530 nan 8.290 nan 0.000 0.517 7259 N N 1.347 120.177 118.700 0.216 0.000 1.596 7259 N HA -0.440 4.302 4.740 0.002 0.000 0.137 7259 N C 1.672 177.390 175.510 0.346 0.000 0.235 7259 N CA 2.440 55.645 53.050 0.259 0.000 1.299 7259 N CB -0.867 37.744 38.487 0.208 0.000 1.306 7259 N HN 0.573 nan 8.380 nan 0.000 0.455 7260 H N 2.549 121.690 119.070 0.119 0.000 2.286 7260 H HA -0.156 4.402 4.556 0.002 0.000 0.284 7260 H C 1.762 177.100 175.328 0.017 0.000 1.116 7260 H CA 2.720 58.790 56.048 0.036 0.000 1.175 7260 H CB -0.852 28.911 29.762 0.001 0.000 1.347 7260 H HN 0.530 nan 8.280 nan 0.000 0.475 7261 N N 0.141 118.916 118.700 0.126 0.000 2.109 7261 N HA -0.081 4.660 4.740 0.002 0.000 0.188 7261 N C 2.174 177.666 175.510 -0.030 0.000 1.034 7261 N CA 0.920 53.868 53.050 -0.171 0.000 0.846 7261 N CB -0.325 38.247 38.487 0.141 0.000 1.010 7261 N HN 0.446 nan 8.380 nan 0.000 0.425 7262 A N 1.034 123.978 122.820 0.208 0.000 2.054 7262 A HA -0.196 4.126 4.320 0.002 0.000 0.223 7262 A C 1.795 179.293 177.584 -0.143 0.000 1.169 7262 A CA 1.469 53.560 52.037 0.090 0.000 0.655 7262 A CB -0.773 18.258 19.000 0.051 0.000 0.812 7262 A HN 0.224 nan 8.150 nan 0.000 0.462 7263 F N -0.453 119.464 119.950 -0.055 0.000 2.085 7263 F HA -0.012 4.517 4.527 0.002 0.000 0.284 7263 F C 2.579 178.352 175.800 -0.045 0.000 1.127 7263 F CA 1.499 59.439 58.000 -0.100 0.000 1.164 7263 F CB -0.531 38.286 39.000 -0.304 0.000 1.035 7263 F HN 0.259 nan 8.300 nan 0.000 0.481 7264 R N 0.059 120.649 120.500 0.150 0.000 2.153 7264 R HA -0.251 4.091 4.340 0.002 0.000 0.252 7264 R C 1.960 178.209 176.300 -0.086 0.000 1.158 7264 R CA 2.338 58.447 56.100 0.016 0.000 0.975 7264 R CB -1.688 28.571 30.300 -0.069 0.000 0.871 7264 R HN 0.298 nan 8.270 nan 0.000 0.450 7265 F N 0.307 120.260 119.950 0.005 0.000 2.113 7265 F HA -0.108 4.421 4.527 0.002 0.000 0.297 7265 F C 2.316 177.981 175.800 -0.225 0.000 1.103 7265 F CA 0.204 58.146 58.000 -0.098 0.000 1.248 7265 F CB -0.291 38.686 39.000 -0.037 0.000 0.999 7265 F HN 0.027 nan 8.300 nan 0.000 0.475 7266 L N 0.909 122.082 121.223 -0.083 0.000 2.013 7266 L HA -0.216 4.126 4.340 0.002 0.000 0.212 7266 L C 2.380 179.237 176.870 -0.021 0.000 1.073 7266 L CA 1.737 56.499 54.840 -0.131 0.000 0.753 7266 L CB -1.052 40.926 42.059 -0.135 0.000 0.890 7266 L HN 0.058 nan 8.230 nan 0.000 0.432 7267 R N -0.246 120.272 120.500 0.030 0.000 2.082 7267 R HA -0.247 4.095 4.340 0.002 0.000 0.234 7267 R C 2.257 178.534 176.300 -0.038 0.000 1.136 7267 R CA 1.935 58.059 56.100 0.039 0.000 0.935 7267 R CB -0.398 29.950 30.300 0.079 0.000 0.842 7267 R HN 0.298 nan 8.270 nan 0.000 0.430 7268 K N 0.135 120.456 120.400 -0.131 0.000 2.015 7268 K HA -0.228 4.094 4.320 0.002 0.000 0.220 7268 K C 1.764 178.157 176.600 -0.345 0.000 1.055 7268 K CA 2.227 58.312 56.287 -0.337 0.000 0.951 7268 K CB -0.402 31.713 32.500 -0.642 0.000 0.725 7268 K HN 0.292 nan 8.250 nan 0.000 0.449 7269 Y N -0.195 120.155 120.300 0.082 0.000 2.462 7269 Y HA 0.202 4.754 4.550 0.002 0.000 0.261 7269 Y C 1.937 177.868 175.900 0.052 0.000 1.146 7269 Y CA 0.226 58.397 58.100 0.118 0.000 1.283 7269 Y CB -0.052 38.567 38.460 0.265 0.000 1.090 7269 Y HN 0.146 nan 8.280 nan 0.000 0.526 7270 R N 0.911 121.484 120.500 0.121 0.000 2.119 7270 R HA -0.197 4.144 4.340 0.002 0.000 0.246 7270 R C 1.329 177.708 176.300 0.132 0.000 1.146 7270 R CA 2.125 58.287 56.100 0.104 0.000 0.962 7270 R CB -0.307 30.050 30.300 0.096 0.000 0.863 7270 R HN 0.125 nan 8.270 nan 0.000 0.442 7271 E N 0.423 120.715 120.200 0.153 0.000 2.250 7271 E HA 0.002 4.354 4.350 0.002 0.000 0.192 7271 E C 1.633 178.371 176.600 0.230 0.000 0.986 7271 E CA 0.728 57.291 56.400 0.271 0.000 0.849 7271 E CB 0.130 29.909 29.700 0.132 0.000 0.797 7271 E HN 0.443 nan 8.360 nan 0.000 0.482 7272 K N -0.777 119.644 120.400 0.034 0.000 2.062 7272 K HA -0.038 4.284 4.320 0.002 0.000 0.205 7272 K C 0.458 176.767 176.600 -0.485 0.000 1.051 7272 K CA 1.069 57.229 56.287 -0.211 0.000 0.941 7272 K CB 0.272 32.617 32.500 -0.258 0.000 0.719 7272 K HN -0.005 nan 8.250 nan 0.000 0.440 7273 Y N -2.228 118.009 120.300 -0.104 0.000 3.123 7273 Y HA 0.272 4.823 4.550 0.002 0.000 0.305 7273 Y C -0.344 175.309 175.900 -0.411 0.000 1.560 7273 Y CA -1.321 56.648 58.100 -0.219 0.000 1.048 7273 Y CB 0.490 38.881 38.460 -0.116 0.000 1.380 7273 Y HN -0.232 nan 8.280 nan 0.000 0.618 7274 C N 2.028 121.312 119.300 -0.027 0.000 2.250 7274 C HA 0.641 5.103 4.460 0.002 0.000 0.380 7274 C C -0.029 174.997 174.990 0.060 0.000 1.075 7274 C CA -0.014 58.971 59.018 -0.055 0.000 1.577 7274 C CB -2.110 25.617 27.740 -0.022 0.000 1.608 7274 C HN 0.618 nan 8.230 nan 0.000 0.477 7275 T N 3.092 117.697 114.554 0.086 0.000 2.916 7275 T HA 0.853 5.205 4.350 0.002 0.000 0.292 7275 T C -1.110 173.735 174.700 0.242 0.000 1.055 7275 T CA -0.386 61.783 62.100 0.115 0.000 1.009 7275 T CB 1.457 70.321 68.868 -0.007 0.000 1.118 7275 T HN 1.013 nan 8.240 nan 0.000 0.497 7276 F N 2.223 122.199 119.950 0.043 0.000 2.660 7276 F HA 0.490 5.018 4.527 0.002 0.000 0.320 7276 F C -1.644 174.197 175.800 0.068 0.000 1.099 7276 F CA -1.163 56.893 58.000 0.092 0.000 1.061 7276 F CB 0.813 40.010 39.000 0.328 0.000 1.300 7276 F HN 0.498 nan 8.300 nan 0.000 0.479 7277 N N 4.278 122.904 118.700 -0.124 0.000 2.414 7277 N HA 0.094 4.835 4.740 0.002 0.000 0.256 7277 N C 0.473 175.949 175.510 -0.057 0.000 1.029 7277 N CA 0.291 53.215 53.050 -0.210 0.000 0.948 7277 N CB 1.119 39.502 38.487 -0.174 0.000 1.102 7277 N HN 1.019 nan 8.380 nan 0.000 0.496 7278 D N 2.779 123.098 120.400 -0.135 0.000 2.097 7278 D HA -0.168 4.473 4.640 0.002 0.000 0.195 7278 D C -0.223 176.165 176.300 0.146 0.000 0.989 7278 D CA 1.022 55.164 54.000 0.237 0.000 0.827 7278 D CB 0.166 41.050 40.800 0.140 0.000 0.966 7278 D HN 0.558 nan 8.370 nan 0.000 0.456 7279 D N 0.026 120.454 120.400 0.047 0.000 2.408 7279 D HA -0.016 4.625 4.640 0.002 0.000 0.248 7279 D C 1.340 177.633 176.300 -0.012 0.000 1.122 7279 D CA 0.329 54.351 54.000 0.036 0.000 0.964 7279 D CB 0.368 41.183 40.800 0.025 0.000 0.884 7279 D HN 0.484 nan 8.370 nan 0.000 0.524 7280 I N -1.100 119.451 120.570 -0.033 0.000 3.474 7280 I HA -0.094 4.077 4.170 0.002 0.000 0.278 7280 I C 1.763 177.814 176.117 -0.109 0.000 0.889 7280 I CA -0.343 60.890 61.300 -0.112 0.000 2.435 7280 I CB -0.048 37.790 38.000 -0.269 0.000 1.593 7280 I HN -0.242 nan 8.210 nan 0.000 0.477 7281 Q N 1.534 121.185 119.800 -0.248 0.000 2.014 7281 Q HA -0.162 4.179 4.340 0.002 0.000 0.207 7281 Q C 1.984 177.827 176.000 -0.261 0.000 0.993 7281 Q CA 2.181 57.600 55.803 -0.640 0.000 0.850 7281 Q CB -0.622 27.085 28.738 -1.718 0.000 0.916 7281 Q HN 0.695 nan 8.270 nan 0.000 0.417 7282 G N -0.376 108.507 108.800 0.139 0.000 2.479 7282 G HA2 -0.259 3.703 3.960 0.002 0.000 0.220 7282 G HA3 -0.259 3.703 3.960 0.002 0.000 0.220 7282 G C 1.334 176.392 174.900 0.263 0.000 1.115 7282 G CA 1.335 46.678 45.100 0.405 0.000 0.757 7282 G HN 0.273 nan 8.290 nan 0.000 0.560 7283 T N 0.690 115.342 114.554 0.163 0.000 2.894 7283 T HA 0.203 4.555 4.350 0.002 0.000 0.258 7283 T C 2.832 177.615 174.700 0.137 0.000 1.043 7283 T CA 1.185 63.370 62.100 0.142 0.000 1.141 7283 T CB -0.220 68.706 68.868 0.095 0.000 0.873 7283 T HN 0.334 nan 8.240 nan 0.000 0.449 7284 A N 1.401 124.280 122.820 0.099 0.000 1.933 7284 A HA 0.121 4.442 4.320 0.002 0.000 0.218 7284 A C 2.574 180.248 177.584 0.151 0.000 1.175 7284 A CA 1.893 53.994 52.037 0.107 0.000 0.628 7284 A CB -1.040 17.994 19.000 0.056 0.000 0.814 7284 A HN 0.508 nan 8.150 nan 0.000 0.444 7285 A N -0.264 122.664 122.820 0.180 0.000 1.978 7285 A HA -0.012 4.309 4.320 0.002 0.000 0.220 7285 A C 2.175 179.883 177.584 0.206 0.000 1.170 7285 A CA 2.106 54.268 52.037 0.209 0.000 0.636 7285 A CB -0.904 18.260 19.000 0.273 0.000 0.810 7285 A HN 0.853 nan 8.150 nan 0.000 0.448 7286 V N -2.191 117.857 119.914 0.222 0.000 2.535 7286 V HA 0.081 4.202 4.120 0.002 0.000 0.246 7286 V C 2.698 179.016 176.094 0.374 0.000 1.045 7286 V CA 1.110 63.573 62.300 0.270 0.000 1.058 7286 V CB -1.585 30.341 31.823 0.172 0.000 0.689 7286 V HN 0.477 nan 8.190 nan 0.000 0.461 7287 A N 1.005 124.005 122.820 0.300 0.000 1.859 7287 A HA -0.203 4.118 4.320 0.002 0.000 0.217 7287 A C 2.198 179.935 177.584 0.255 0.000 1.198 7287 A CA 2.394 54.629 52.037 0.329 0.000 0.629 7287 A CB -0.850 18.289 19.000 0.231 0.000 0.830 7287 A HN 0.417 nan 8.150 nan 0.000 0.446 7288 L N -0.299 121.027 121.223 0.171 0.000 1.978 7288 L HA -0.219 4.122 4.340 0.002 0.000 0.218 7288 L C 2.958 179.895 176.870 0.112 0.000 1.075 7288 L CA 2.405 57.308 54.840 0.104 0.000 0.767 7288 L CB -1.035 41.086 42.059 0.103 0.000 0.890 7288 L HN 0.438 nan 8.230 nan 0.000 0.434 7289 A N -1.082 121.834 122.820 0.160 0.000 2.054 7289 A HA -0.221 4.101 4.320 0.002 0.000 0.223 7289 A C 2.251 179.848 177.584 0.021 0.000 1.169 7289 A CA 1.979 54.085 52.037 0.114 0.000 0.655 7289 A CB -1.408 17.705 19.000 0.187 0.000 0.812 7289 A HN 0.576 nan 8.150 nan 0.000 0.462 7290 G N -0.181 108.705 108.800 0.143 0.000 2.499 7290 G HA2 -0.038 3.923 3.960 0.002 0.000 0.213 7290 G HA3 -0.038 3.923 3.960 0.002 0.000 0.213 7290 G C 1.374 176.345 174.900 0.118 0.000 1.230 7290 G CA 0.670 45.803 45.100 0.056 0.000 0.813 7290 G HN 0.460 nan 8.290 nan 0.000 0.542 7291 L N 0.434 121.677 121.223 0.035 0.000 2.450 7291 L HA -0.060 4.281 4.340 0.002 0.000 0.225 7291 L C 2.622 179.452 176.870 -0.066 0.000 1.145 7291 L CA 0.239 54.998 54.840 -0.134 0.000 0.801 7291 L CB -0.551 41.361 42.059 -0.245 0.000 0.924 7291 L HN 0.182 nan 8.230 nan 0.000 0.447 7292 L N -0.224 120.983 121.223 -0.026 0.000 2.115 7292 L HA -0.016 4.325 4.340 0.002 0.000 0.200 7292 L C 2.909 179.763 176.870 -0.027 0.000 1.094 7292 L CA 1.070 55.898 54.840 -0.021 0.000 0.769 7292 L CB -0.793 41.262 42.059 -0.006 0.000 0.931 7292 L HN 0.206 nan 8.230 nan 0.000 0.455 7293 A N 0.348 123.137 122.820 -0.052 0.000 1.985 7293 A HA -0.341 3.981 4.320 0.002 0.000 0.223 7293 A C 2.368 179.928 177.584 -0.040 0.000 1.189 7293 A CA 2.388 54.383 52.037 -0.070 0.000 0.658 7293 A CB -0.794 18.118 19.000 -0.146 0.000 0.820 7293 A HN 0.549 nan 8.150 nan 0.000 0.464 7294 A N -1.327 121.486 122.820 -0.011 0.000 1.854 7294 A HA -0.119 4.202 4.320 0.002 0.000 0.214 7294 A C 2.137 179.726 177.584 0.008 0.000 1.192 7294 A CA 1.958 54.007 52.037 0.019 0.000 0.611 7294 A CB -0.550 18.498 19.000 0.080 0.000 0.832 7294 A HN 0.575 nan 8.150 nan 0.000 0.442 7295 Q N 0.106 119.904 119.800 -0.004 0.000 2.226 7295 Q HA -0.150 4.192 4.340 0.002 0.000 0.204 7295 Q C 1.905 177.921 176.000 0.027 0.000 0.975 7295 Q CA 2.072 57.889 55.803 0.023 0.000 0.866 7295 Q CB -0.304 28.450 28.738 0.026 0.000 0.915 7295 Q HN 0.646 nan 8.270 nan 0.000 0.440 7296 K N -0.723 119.682 120.400 0.008 0.000 2.020 7296 K HA -0.173 4.149 4.320 0.002 0.000 0.212 7296 K C 1.908 178.508 176.600 0.000 0.000 1.050 7296 K CA 1.846 58.134 56.287 0.002 0.000 0.929 7296 K CB -0.357 32.136 32.500 -0.013 0.000 0.714 7296 K HN 0.313 nan 8.250 nan 0.000 0.443 7297 V N -0.416 119.494 119.914 -0.007 0.000 2.788 7297 V HA -0.096 4.026 4.120 0.002 0.000 0.251 7297 V C 1.813 177.908 176.094 0.001 0.000 1.068 7297 V CA 0.846 63.139 62.300 -0.011 0.000 1.090 7297 V CB -0.213 31.593 31.823 -0.028 0.000 0.710 7297 V HN 0.141 nan 8.190 nan 0.000 0.467 7298 I N 1.394 121.973 120.570 0.015 0.000 2.162 7298 I HA 0.037 4.208 4.170 0.002 0.000 0.238 7298 I C 1.695 177.833 176.117 0.035 0.000 1.076 7298 I CA 1.332 62.650 61.300 0.030 0.000 1.353 7298 I CB -1.197 36.834 38.000 0.052 0.000 1.063 7298 I HN 0.591 nan 8.210 nan 0.000 0.408 7299 S N 0.235 115.963 115.700 0.046 0.000 3.812 7299 S HA -0.204 4.267 4.470 0.002 0.000 0.341 7299 S C 0.540 175.157 174.600 0.028 0.000 1.057 7299 S CA 0.329 58.551 58.200 0.037 0.000 1.015 7299 S CB -1.700 61.510 63.200 0.016 0.000 0.893 7299 S HN 0.467 nan 8.310 nan 0.000 0.476 7300 K N 1.871 122.307 120.400 0.060 0.000 2.231 7300 K HA 0.227 4.548 4.320 0.002 0.000 0.275 7300 K C -2.436 174.073 176.600 -0.153 0.000 1.105 7300 K CA -2.388 53.891 56.287 -0.013 0.000 0.931 7300 K CB 0.456 32.989 32.500 0.055 0.000 1.296 7300 K HN -0.010 nan 8.250 nan 0.000 0.446 7301 P HA -0.185 nan 4.420 nan 0.000 0.140 7301 P C 0.304 177.446 177.300 -0.263 0.000 0.817 7301 P CA 0.377 63.398 63.100 -0.132 0.000 1.248 7301 P CB -0.406 31.241 31.700 -0.088 0.000 1.542 7302 I N 0.852 121.213 120.570 -0.348 0.000 4.878 7302 I HA -0.556 3.616 4.170 0.002 0.000 0.042 7302 I C 2.347 178.177 176.117 -0.479 0.000 0.635 7302 I CA 2.588 63.628 61.300 -0.434 0.000 0.306 7302 I CB -2.087 35.915 38.000 0.004 0.000 0.370 7302 I HN 0.222 nan 8.210 nan 0.000 0.154 7303 S N -0.583 115.017 115.700 -0.167 0.000 2.705 7303 S HA -0.410 4.061 4.470 0.002 0.000 0.359 7303 S C 1.501 176.041 174.600 -0.100 0.000 1.373 7303 S CA 2.694 60.835 58.200 -0.098 0.000 1.179 7303 S CB -0.966 62.187 63.200 -0.080 0.000 1.312 7303 S HN 0.722 nan 8.310 nan 0.000 0.458 7304 E N 0.707 120.803 120.200 -0.174 0.000 2.418 7304 E HA 0.056 4.407 4.350 0.002 0.000 0.197 7304 E C 0.493 177.075 176.600 -0.030 0.000 1.026 7304 E CA 0.482 56.821 56.400 -0.102 0.000 0.862 7304 E CB -0.452 29.186 29.700 -0.104 0.000 0.799 7304 E HN 0.738 nan 8.360 nan 0.000 0.518 7305 H N 1.310 120.382 119.070 0.004 0.000 2.871 7305 H HA 0.146 4.703 4.556 0.002 0.000 0.355 7305 H C 0.250 175.590 175.328 0.020 0.000 1.092 7305 H CA 0.266 56.314 56.048 0.000 0.000 1.420 7305 H CB 0.565 30.326 29.762 -0.001 0.000 1.400 7305 H HN -0.097 nan 8.280 nan 0.000 0.604 7306 K N 3.638 124.128 120.400 0.150 0.000 2.767 7306 K HA 0.178 4.499 4.320 0.002 0.000 0.286 7306 K C -1.677 174.959 176.600 0.059 0.000 1.177 7306 K CA -0.350 56.014 56.287 0.129 0.000 1.078 7306 K CB 0.651 33.206 32.500 0.091 0.000 1.358 7306 K HN 0.429 nan 8.250 nan 0.000 0.531 7307 I N 3.198 123.788 120.570 0.033 0.000 2.532 7307 I HA 0.308 4.479 4.170 0.002 0.000 0.292 7307 I C -0.393 175.686 176.117 -0.064 0.000 1.014 7307 I CA -0.763 60.468 61.300 -0.115 0.000 1.340 7307 I CB 1.141 38.965 38.000 -0.292 0.000 1.422 7307 I HN 0.415 nan 8.210 nan 0.000 0.528 7308 L N 6.411 127.551 121.223 -0.138 0.000 2.386 7308 L HA 0.595 4.936 4.340 0.002 0.000 0.271 7308 L C -1.481 175.397 176.870 0.014 0.000 0.993 7308 L CA -0.242 54.622 54.840 0.040 0.000 0.819 7308 L CB 1.324 43.449 42.059 0.110 0.000 1.294 7308 L HN 0.232 nan 8.230 nan 0.000 0.414 7309 F N 4.570 124.698 119.950 0.296 0.000 2.450 7309 F HA 0.365 4.894 4.527 0.002 0.000 0.332 7309 F C 0.717 176.657 175.800 0.233 0.000 1.093 7309 F CA -0.611 57.529 58.000 0.233 0.000 1.003 7309 F CB 1.614 40.679 39.000 0.108 0.000 1.151 7309 F HN 0.379 nan 8.300 nan 0.000 0.474 7310 L N 1.872 123.297 121.223 0.336 0.000 2.179 7310 L HA 0.341 4.682 4.340 0.002 0.000 0.208 7310 L C 0.710 177.580 176.870 -0.000 0.000 1.096 7310 L CA 1.145 55.941 54.840 -0.072 0.000 0.779 7310 L CB -1.002 40.977 42.059 -0.134 0.000 0.922 7310 L HN 0.569 nan 8.230 nan 0.000 0.443 7311 G N -2.170 106.668 108.800 0.063 0.000 2.571 7311 G HA2 0.548 4.509 3.960 0.002 0.000 0.304 7311 G HA3 0.548 4.509 3.960 0.002 0.000 0.304 7311 G C -0.714 174.155 174.900 -0.052 0.000 1.314 7311 G CA 0.015 45.102 45.100 -0.021 0.000 0.975 7311 G HN 0.221 nan 8.290 nan 0.000 0.485 7312 A N 0.820 123.599 122.820 -0.068 0.000 2.842 7312 A HA 0.706 5.028 4.320 0.002 0.000 0.298 7312 A C 0.882 178.413 177.584 -0.088 0.000 1.293 7312 A CA 0.244 52.233 52.037 -0.080 0.000 0.959 7312 A CB -0.283 18.697 19.000 -0.034 0.000 1.119 7312 A HN 1.166 nan 8.150 nan 0.000 0.564 7313 G N -1.483 107.263 108.800 -0.091 0.000 2.489 7313 G HA2 0.458 4.420 3.960 0.002 0.000 0.327 7313 G HA3 0.458 4.420 3.960 0.002 0.000 0.327 7313 G C 0.387 175.274 174.900 -0.021 0.000 1.189 7313 G CA 0.263 45.329 45.100 -0.056 0.000 0.962 7313 G HN 0.399 nan 8.290 nan 0.000 0.486 7314 E N 0.163 120.404 120.200 0.068 0.000 2.831 7314 E HA -0.455 3.897 4.350 0.002 0.000 0.227 7314 E C 2.462 179.116 176.600 0.089 0.000 0.895 7314 E CA 3.549 60.061 56.400 0.188 0.000 1.313 7314 E CB -0.828 28.949 29.700 0.128 0.000 1.338 7314 E HN 0.819 nan 8.360 nan 0.000 0.485 7315 A N 0.804 123.636 122.820 0.020 0.000 1.923 7315 A HA -0.317 4.005 4.320 0.002 0.000 0.222 7315 A C 2.466 179.988 177.584 -0.103 0.000 1.258 7315 A CA 4.102 56.130 52.037 -0.015 0.000 0.670 7315 A CB -1.631 17.364 19.000 -0.007 0.000 0.834 7315 A HN 0.783 nan 8.150 nan 0.000 0.470 7316 A N -0.523 122.156 122.820 -0.234 0.000 1.837 7316 A HA -0.077 4.245 4.320 0.002 0.000 0.216 7316 A C 2.021 179.360 177.584 -0.407 0.000 1.210 7316 A CA 1.935 53.604 52.037 -0.613 0.000 0.632 7316 A CB -1.038 17.557 19.000 -0.675 0.000 0.843 7316 A HN 0.663 nan 8.150 nan 0.000 0.448 7317 L N 0.305 121.434 121.223 -0.157 0.000 2.197 7317 L HA -0.170 4.172 4.340 0.002 0.000 0.215 7317 L C 2.606 179.576 176.870 0.167 0.000 1.095 7317 L CA 1.592 56.484 54.840 0.087 0.000 0.764 7317 L CB -1.140 40.989 42.059 0.117 0.000 0.897 7317 L HN 0.480 nan 8.230 nan 0.000 0.436 7318 G N 0.187 109.051 108.800 0.107 0.000 2.424 7318 G HA2 -0.126 3.835 3.960 0.002 0.000 0.214 7318 G HA3 -0.126 3.835 3.960 0.002 0.000 0.214 7318 G C 1.558 176.507 174.900 0.083 0.000 1.202 7318 G CA 0.943 46.101 45.100 0.098 0.000 0.793 7318 G HN 0.395 nan 8.290 nan 0.000 0.534 7319 I N 1.681 122.279 120.570 0.046 0.000 2.133 7319 I HA -0.035 4.136 4.170 0.002 0.000 0.238 7319 I C 3.264 179.478 176.117 0.161 0.000 1.074 7319 I CA 1.062 62.426 61.300 0.107 0.000 1.342 7319 I CB -0.614 37.474 38.000 0.147 0.000 1.053 7319 I HN 0.184 nan 8.210 nan 0.000 0.404 7320 A N 0.872 123.745 122.820 0.088 0.000 2.023 7320 A HA -0.331 3.990 4.320 0.002 0.000 0.223 7320 A C 2.233 179.991 177.584 0.291 0.000 1.180 7320 A CA 2.674 54.761 52.037 0.083 0.000 0.659 7320 A CB -1.081 17.654 19.000 -0.441 0.000 0.817 7320 A HN 0.653 nan 8.150 nan 0.000 0.466 7321 N N -1.186 117.721 118.700 0.344 0.000 2.409 7321 N HA -0.010 4.731 4.740 0.002 0.000 0.174 7321 N C 1.547 177.186 175.510 0.215 0.000 1.037 7321 N CA 0.729 53.987 53.050 0.346 0.000 0.898 7321 N CB 0.020 38.680 38.487 0.289 0.000 1.010 7321 N HN 0.374 nan 8.380 nan 0.000 0.445 7322 L N 1.471 122.795 121.223 0.168 0.000 2.376 7322 L HA 0.112 4.454 4.340 0.002 0.000 0.219 7322 L C 1.784 178.736 176.870 0.138 0.000 1.133 7322 L CA 0.751 55.673 54.840 0.136 0.000 0.816 7322 L CB -0.184 41.945 42.059 0.117 0.000 0.933 7322 L HN 0.125 nan 8.230 nan 0.000 0.449 7323 I N -1.910 118.752 120.570 0.153 0.000 2.130 7323 I HA -0.164 4.008 4.170 0.002 0.000 0.234 7323 I C 1.400 177.601 176.117 0.140 0.000 1.067 7323 I CA 0.292 61.669 61.300 0.128 0.000 1.339 7323 I CB -0.594 37.476 38.000 0.117 0.000 1.073 7323 I HN -0.185 nan 8.210 nan 0.000 0.405 7329 E N 0.455 120.694 120.200 0.065 0.000 2.358 7329 E HA -0.085 4.266 4.350 0.002 0.000 0.195 7329 E C 1.493 178.125 176.600 0.054 0.000 1.010 7329 E CA 1.612 58.049 56.400 0.061 0.000 0.856 7329 E CB -0.042 29.702 29.700 0.073 0.000 0.795 7329 E HN 0.565 nan 8.360 nan 0.000 0.504 7330 N N -0.027 118.707 118.700 0.056 0.000 2.416 7330 N HA 0.040 4.782 4.740 0.002 0.000 0.177 7330 N C 0.879 176.412 175.510 0.038 0.000 1.036 7330 N CA 1.252 54.332 53.050 0.050 0.000 0.901 7330 N CB 1.089 39.611 38.487 0.059 0.000 0.976 7330 N HN 0.431 nan 8.380 nan 0.000 0.444 7331 G N -0.696 108.127 108.800 0.038 0.000 2.834 7331 G HA2 -0.061 3.901 3.960 0.002 0.000 0.217 7331 G HA3 -0.061 3.901 3.960 0.002 0.000 0.217 7331 G C -0.186 174.731 174.900 0.028 0.000 0.974 7331 G CA -0.455 44.662 45.100 0.029 0.000 0.826 7331 G HN 0.066 nan 8.290 nan 0.000 0.584 7332 L N 1.199 122.444 121.223 0.037 0.000 2.657 7332 L HA 0.836 5.178 4.340 0.002 0.000 0.240 7332 L C 1.043 177.933 176.870 0.033 0.000 1.151 7332 L CA -0.149 54.712 54.840 0.036 0.000 0.831 7332 L CB 1.345 43.433 42.059 0.049 0.000 1.539 7332 L HN 0.273 nan 8.230 nan 0.000 0.511 7333 S N -1.773 113.946 115.700 0.031 0.000 2.500 7333 S HA 0.290 4.761 4.470 0.002 0.000 0.301 7333 S C 0.565 175.183 174.600 0.029 0.000 1.092 7333 S CA -0.644 57.571 58.200 0.025 0.000 1.030 7333 S CB 1.335 64.544 63.200 0.015 0.000 1.031 7333 S HN 0.651 nan 8.310 nan 0.000 0.483 7334 E N 1.009 121.224 120.200 0.026 0.000 2.197 7334 E HA -0.321 4.031 4.350 0.002 0.000 0.205 7334 E C 1.702 178.313 176.600 0.018 0.000 1.029 7334 E CA 2.149 58.564 56.400 0.025 0.000 0.828 7334 E CB -0.045 29.658 29.700 0.006 0.000 0.737 7334 E HN 0.774 nan 8.360 nan 0.000 0.464 7335 Q N 1.103 120.907 119.800 0.007 0.000 1.941 7335 Q HA -0.203 4.139 4.340 0.002 0.000 0.201 7335 Q C 1.649 177.652 176.000 0.005 0.000 0.982 7335 Q CA 2.456 58.258 55.803 -0.002 0.000 0.839 7335 Q CB -0.310 28.424 28.738 -0.007 0.000 0.904 7335 Q HN 0.333 nan 8.270 nan 0.000 0.427 7336 E N 0.518 120.723 120.200 0.009 0.000 2.130 7336 E HA -0.184 4.167 4.350 0.002 0.000 0.196 7336 E C 1.964 178.583 176.600 0.032 0.000 0.998 7336 E CA 1.255 57.661 56.400 0.010 0.000 0.806 7336 E CB -0.523 29.186 29.700 0.016 0.000 0.738 7336 E HN 0.470 nan 8.360 nan 0.000 0.459 7337 A N 2.195 125.049 122.820 0.057 0.000 1.865 7337 A HA -0.308 4.014 4.320 0.002 0.000 0.217 7337 A C 2.353 180.025 177.584 0.147 0.000 1.191 7337 A CA 2.061 54.156 52.037 0.097 0.000 0.623 7337 A CB -0.754 18.308 19.000 0.103 0.000 0.826 7337 A HN 0.458 nan 8.150 nan 0.000 0.444 7338 Q N -1.472 118.433 119.800 0.174 0.000 2.172 7338 Q HA -0.086 4.255 4.340 0.002 0.000 0.200 7338 Q C 1.700 177.848 176.000 0.247 0.000 0.964 7338 Q CA 1.188 57.200 55.803 0.350 0.000 0.855 7338 Q CB -0.305 28.596 28.738 0.272 0.000 0.918 7338 Q HN 0.387 nan 8.270 nan 0.000 0.444 7339 K N 1.224 121.602 120.400 -0.037 0.000 2.286 7339 K HA -0.111 4.210 4.320 0.002 0.000 0.203 7339 K C 1.626 178.043 176.600 -0.305 0.000 1.045 7339 K CA 1.162 57.148 56.287 -0.502 0.000 0.935 7339 K CB 0.078 32.406 32.500 -0.288 0.000 0.737 7339 K HN 0.268 nan 8.250 nan 0.000 0.460 7340 K N 0.044 120.452 120.400 0.015 0.000 2.305 7340 K HA 0.102 4.423 4.320 0.002 0.000 0.199 7340 K C 0.714 177.474 176.600 0.267 0.000 1.047 7340 K CA 0.301 56.687 56.287 0.165 0.000 0.976 7340 K CB 0.292 32.878 32.500 0.143 0.000 0.765 7340 K HN 0.054 nan 8.250 nan 0.000 0.474 7341 I N 0.656 121.344 120.570 0.197 0.000 2.396 7341 I HA 0.177 4.349 4.170 0.002 0.000 0.292 7341 I C -0.459 175.735 176.117 0.128 0.000 0.999 7341 I CA -0.523 60.871 61.300 0.156 0.000 1.310 7341 I CB 0.532 38.506 38.000 -0.043 0.000 1.404 7341 I HN -0.017 nan 8.210 nan 0.000 0.496 7345 D N 5.268 125.436 120.400 -0.387 0.000 2.567 7345 D HA 0.205 4.846 4.640 0.002 0.000 0.275 7345 D C 0.757 176.749 176.300 -0.513 0.000 1.195 7345 D CA -0.293 53.503 54.000 -0.340 0.000 1.087 7345 D CB 1.144 41.813 40.800 -0.220 0.000 1.165 7345 D HN 0.655 nan 8.370 nan 0.000 0.609 7346 K N -0.488 119.652 120.400 -0.433 0.000 2.360 7346 K HA -0.171 4.151 4.320 0.002 0.000 0.201 7346 K C 0.222 176.534 176.600 -0.479 0.000 1.046 7346 K CA 0.868 56.879 56.287 -0.461 0.000 0.945 7346 K CB -0.440 31.725 32.500 -0.558 0.000 0.750 7346 K HN 0.501 nan 8.250 nan 0.000 0.464 7347 Y N 1.360 121.516 120.300 -0.239 0.000 2.839 7347 Y HA 0.234 4.786 4.550 0.002 0.000 0.361 7347 Y C 1.030 176.780 175.900 -0.250 0.000 1.008 7347 Y CA -0.401 57.589 58.100 -0.184 0.000 1.534 7347 Y CB 0.681 39.071 38.460 -0.116 0.000 1.395 7347 Y HN 0.401 nan 8.280 nan 0.000 0.534 7348 G N 0.789 109.397 108.800 -0.320 0.000 2.553 7348 G HA2 -0.314 3.648 3.960 0.002 0.000 0.242 7348 G HA3 -0.314 3.648 3.960 0.002 0.000 0.242 7348 G C -1.191 173.328 174.900 -0.636 0.000 1.277 7348 G CA -0.557 44.355 45.100 -0.314 0.000 0.910 7348 G HN 0.282 nan 8.290 nan 0.000 0.576 7349 L N -0.256 121.020 121.223 0.088 0.000 2.307 7349 L HA 0.679 5.020 4.340 0.002 0.000 0.282 7349 L C 0.557 177.566 176.870 0.232 0.000 1.051 7349 L CA -0.973 54.078 54.840 0.351 0.000 0.804 7349 L CB 1.159 43.568 42.059 0.585 0.000 1.197 7349 L HN 0.604 nan 8.230 nan 0.000 0.431 7350 L N 6.461 127.830 121.223 0.243 0.000 2.583 7350 L HA 0.146 4.487 4.340 0.002 0.000 0.280 7350 L C -0.245 176.736 176.870 0.185 0.000 1.261 7350 L CA 0.695 55.634 54.840 0.165 0.000 1.164 7350 L CB -0.658 41.482 42.059 0.136 0.000 1.402 7350 L HN 0.387 nan 8.230 nan 0.000 0.443 7351 V N 3.580 123.597 119.914 0.172 0.000 2.769 7351 V HA 0.365 4.486 4.120 0.002 0.000 0.312 7351 V C 0.569 176.724 176.094 0.102 0.000 1.061 7351 V CA -1.286 61.125 62.300 0.185 0.000 0.931 7351 V CB 2.632 34.603 31.823 0.246 0.000 1.010 7351 V HN 0.505 nan 8.190 nan 0.000 0.433 7352 K N 2.099 122.551 120.400 0.087 0.000 2.542 7352 K HA 0.048 4.369 4.320 0.002 0.000 0.276 7352 K C 1.302 177.933 176.600 0.052 0.000 0.963 7352 K CA 1.058 57.377 56.287 0.053 0.000 0.975 7352 K CB -0.033 32.502 32.500 0.057 0.000 0.901 7352 K HN 1.241 nan 8.250 nan 0.000 0.506 7353 G N 1.730 110.548 108.800 0.030 0.000 2.225 7353 G HA2 -0.378 3.583 3.960 0.002 0.000 0.272 7353 G HA3 -0.378 3.583 3.960 0.002 0.000 0.272 7353 G C 0.252 175.168 174.900 0.026 0.000 0.996 7353 G CA 1.273 46.388 45.100 0.024 0.000 0.710 7353 G HN 0.768 nan 8.290 nan 0.000 0.522 7354 R N -0.674 119.846 120.500 0.033 0.000 2.698 7354 R HA 0.444 4.785 4.340 0.002 0.000 0.266 7354 R C 1.596 177.899 176.300 0.005 0.000 1.026 7354 R CA 0.508 56.628 56.100 0.034 0.000 1.102 7354 R CB 0.495 30.824 30.300 0.048 0.000 0.978 7354 R HN 0.014 nan 8.270 nan 0.000 0.436 7355 K N 3.218 123.616 120.400 -0.002 0.000 1.978 7355 K HA -0.053 4.268 4.320 0.002 0.000 0.214 7355 K C 0.482 177.039 176.600 -0.072 0.000 1.049 7355 K CA 2.002 58.270 56.287 -0.033 0.000 0.939 7355 K CB -0.752 31.727 32.500 -0.035 0.000 0.721 7355 K HN 0.791 nan 8.250 nan 0.000 0.441 7356 A N 1.505 124.267 122.820 -0.097 0.000 2.448 7356 A HA 0.140 4.461 4.320 0.002 0.000 0.239 7356 A C -0.310 177.223 177.584 -0.085 0.000 1.080 7356 A CA -0.189 51.745 52.037 -0.171 0.000 0.779 7356 A CB 0.042 18.922 19.000 -0.201 0.000 1.026 7356 A HN 0.170 nan 8.150 nan 0.000 0.499 7357 K N -0.138 120.207 120.400 -0.091 0.000 2.295 7357 K HA 0.435 4.756 4.320 0.002 0.000 0.270 7357 K C -0.960 175.633 176.600 -0.012 0.000 1.011 7357 K CA 0.126 56.386 56.287 -0.046 0.000 0.953 7357 K CB 0.287 32.757 32.500 -0.049 0.000 0.956 7357 K HN 0.443 nan 8.250 nan 0.000 0.477 7358 I N 1.808 122.365 120.570 -0.021 0.000 2.497 7358 I HA 0.051 4.223 4.170 0.002 0.000 0.284 7358 I C 0.222 176.317 176.117 -0.036 0.000 1.060 7358 I CA -0.947 60.341 61.300 -0.019 0.000 1.071 7358 I CB 1.429 39.420 38.000 -0.015 0.000 1.216 7358 I HN 0.542 nan 8.210 nan 0.000 0.442 7359 D N 4.228 124.601 120.400 -0.045 0.000 2.352 7359 D HA 0.053 4.694 4.640 0.002 0.000 0.238 7359 D C 0.972 177.248 176.300 -0.040 0.000 1.286 7359 D CA 0.152 54.118 54.000 -0.057 0.000 0.923 7359 D CB 0.985 41.729 40.800 -0.094 0.000 1.146 7359 D HN 0.496 nan 8.370 nan 0.000 0.471 7360 S N 0.567 116.250 115.700 -0.028 0.000 2.354 7360 S HA -0.262 4.210 4.470 0.002 0.000 0.219 7360 S C 2.052 176.618 174.600 -0.057 0.000 1.035 7360 S CA 1.147 59.313 58.200 -0.057 0.000 1.037 7360 S CB -1.213 61.941 63.200 -0.077 0.000 0.956 7360 S HN 0.615 nan 8.310 nan 0.000 0.428 7361 Y N 2.644 122.820 120.300 -0.208 0.000 2.538 7361 Y HA -0.120 4.432 4.550 0.002 0.000 0.287 7361 Y C 2.641 178.443 175.900 -0.163 0.000 1.157 7361 Y CA 0.904 58.875 58.100 -0.215 0.000 1.338 7361 Y CB -0.684 37.569 38.460 -0.344 0.000 0.970 7361 Y HN 0.410 nan 8.280 nan 0.000 0.564 7362 Q N -0.589 119.218 119.800 0.013 0.000 2.178 7362 Q HA -0.093 4.248 4.340 0.002 0.000 0.195 7362 Q C 1.965 177.935 176.000 -0.049 0.000 0.960 7362 Q CA 0.602 56.414 55.803 0.015 0.000 0.843 7362 Q CB 0.001 28.740 28.738 0.001 0.000 0.927 7362 Q HN 0.456 nan 8.270 nan 0.000 0.487 7363 E N 0.816 120.968 120.200 -0.080 0.000 2.257 7363 E HA -0.281 4.071 4.350 0.002 0.000 0.229 7363 E C -1.007 175.496 176.600 -0.162 0.000 1.089 7363 E CA 2.101 58.437 56.400 -0.107 0.000 0.947 7363 E CB -1.242 28.398 29.700 -0.100 0.000 0.808 7363 E HN 0.375 nan 8.360 nan 0.000 0.471 7364 P HA -0.195 nan 4.420 nan 0.000 0.216 7364 P C 0.922 178.034 177.300 -0.313 0.000 1.150 7364 P CA 1.577 64.483 63.100 -0.325 0.000 0.843 7364 P CB -0.210 31.173 31.700 -0.528 0.000 0.787 7365 F N -1.008 118.809 119.950 -0.221 0.000 2.765 7365 F HA 0.095 4.624 4.527 0.002 0.000 0.302 7365 F C 0.760 176.056 175.800 -0.840 0.000 1.111 7365 F CA 0.016 57.740 58.000 -0.460 0.000 1.359 7365 F CB -0.251 38.645 39.000 -0.173 0.000 1.097 7365 F HN -0.242 nan 8.300 nan 0.000 0.577 7366 T N 1.086 115.405 114.554 -0.392 0.000 3.598 7366 T HA 0.140 4.491 4.350 0.002 0.000 0.343 7366 T C 0.212 174.721 174.700 -0.317 0.000 1.697 7366 T CA -0.343 61.575 62.100 -0.304 0.000 1.247 7366 T CB -0.612 68.194 68.868 -0.104 0.000 1.210 7366 T HN 0.066 nan 8.240 nan 0.000 0.820 7367 H N 1.113 120.039 119.070 -0.239 0.000 2.503 7367 H HA 0.187 4.744 4.556 0.002 0.000 0.375 7367 H C 0.826 176.139 175.328 -0.025 0.000 1.801 7367 H CA -0.317 55.591 56.048 -0.234 0.000 1.450 7367 H CB 0.161 29.573 29.762 -0.583 0.000 1.601 7367 H HN 0.338 nan 8.280 nan 0.000 0.581 7368 S N -0.103 115.719 115.700 0.203 0.000 2.548 7368 S HA 0.394 4.865 4.470 0.002 0.000 0.277 7368 S C 0.363 175.134 174.600 0.284 0.000 1.315 7368 S CA -0.619 57.695 58.200 0.191 0.000 1.050 7368 S CB 0.887 64.172 63.200 0.143 0.000 0.918 7368 S HN 0.786 nan 8.310 nan 0.000 0.497 7369 A N 4.233 127.185 122.820 0.220 0.000 2.566 7369 A HA 0.349 4.671 4.320 0.002 0.000 0.245 7369 A C -1.878 175.823 177.584 0.195 0.000 1.056 7369 A CA -0.716 51.453 52.037 0.221 0.000 0.757 7369 A CB -0.934 18.154 19.000 0.148 0.000 0.979 7369 A HN 0.576 nan 8.150 nan 0.000 0.508 7370 P HA 0.195 nan 4.420 nan 0.000 0.274 7370 P C 0.816 178.156 177.300 0.065 0.000 1.256 7370 P CA -0.446 62.712 63.100 0.098 0.000 0.795 7370 P CB 0.550 32.254 31.700 0.005 0.000 1.038 7371 E N 0.081 120.304 120.200 0.038 0.000 2.130 7371 E HA -0.117 4.234 4.350 0.002 0.000 0.196 7371 E C -0.229 176.387 176.600 0.027 0.000 0.998 7371 E CA 1.415 57.833 56.400 0.030 0.000 0.806 7371 E CB -0.346 29.363 29.700 0.015 0.000 0.738 7371 E HN 0.408 nan 8.360 nan 0.000 0.459 7372 S N -0.090 115.620 115.700 0.017 0.000 2.605 7372 S HA 0.470 4.941 4.470 0.002 0.000 0.308 7372 S C -0.566 174.051 174.600 0.029 0.000 1.113 7372 S CA -0.831 57.380 58.200 0.018 0.000 1.049 7372 S CB 1.522 64.722 63.200 -0.001 0.000 1.001 7372 S HN 0.020 nan 8.310 nan 0.000 0.480 7373 I N 5.300 125.904 120.570 0.057 0.000 2.308 7373 I HA 0.281 4.453 4.170 0.002 0.000 0.293 7373 I C -1.748 174.427 176.117 0.096 0.000 1.078 7373 I CA -2.141 59.214 61.300 0.091 0.000 1.292 7373 I CB -0.055 38.013 38.000 0.113 0.000 1.423 7373 I HN 0.425 nan 8.210 nan 0.000 0.493 7374 P HA -0.016 nan 4.420 nan 0.000 0.269 7374 P C 0.116 177.523 177.300 0.178 0.000 1.211 7374 P CA 0.106 63.252 63.100 0.076 0.000 0.781 7374 P CB 1.199 32.893 31.700 -0.010 0.000 0.877 7375 D N -0.033 120.453 120.400 0.145 0.000 2.463 7375 D HA -0.008 4.634 4.640 0.002 0.000 0.237 7375 D C -0.120 176.348 176.300 0.280 0.000 1.013 7375 D CA 0.728 54.853 54.000 0.210 0.000 0.910 7375 D CB 0.438 41.316 40.800 0.131 0.000 1.080 7375 D HN 0.276 nan 8.370 nan 0.000 0.498 7376 T N 0.342 114.967 114.554 0.118 0.000 2.952 7376 T HA 0.217 4.568 4.350 0.002 0.000 0.286 7376 T C 0.446 174.996 174.700 -0.250 0.000 1.024 7376 T CA -0.665 61.475 62.100 0.066 0.000 1.029 7376 T CB 1.724 70.621 68.868 0.049 0.000 1.094 7376 T HN -0.120 nan 8.240 nan 0.000 0.515 7377 F N 1.857 121.501 119.950 -0.509 0.000 2.010 7377 F HA -0.087 4.441 4.527 0.002 0.000 0.296 7377 F C 2.569 178.127 175.800 -0.402 0.000 1.146 7377 F CA 2.074 59.631 58.000 -0.738 0.000 1.181 7377 F CB -0.571 38.263 39.000 -0.277 0.000 0.965 7377 F HN 0.884 nan 8.300 nan 0.000 0.480 7378 E N 0.182 120.244 120.200 -0.230 0.000 2.149 7378 E HA -0.362 3.990 4.350 0.002 0.000 0.215 7378 E C 1.848 178.276 176.600 -0.287 0.000 1.055 7378 E CA 2.366 58.598 56.400 -0.281 0.000 0.870 7378 E CB -0.517 29.114 29.700 -0.115 0.000 0.764 7378 E HN 0.475 nan 8.360 nan 0.000 0.463 7379 D N 0.536 120.815 120.400 -0.202 0.000 2.127 7379 D HA -0.220 4.421 4.640 0.002 0.000 0.190 7379 D C 1.956 178.121 176.300 -0.224 0.000 1.000 7379 D CA 2.179 56.082 54.000 -0.163 0.000 0.839 7379 D CB -0.704 40.041 40.800 -0.093 0.000 0.955 7379 D HN 0.433 nan 8.370 nan 0.000 0.446 7380 A N 0.555 123.197 122.820 -0.297 0.000 1.869 7380 A HA -0.243 4.079 4.320 0.002 0.000 0.218 7380 A C 2.534 179.896 177.584 -0.370 0.000 1.203 7380 A CA 2.210 54.063 52.037 -0.307 0.000 0.638 7380 A CB -1.174 17.614 19.000 -0.353 0.000 0.831 7380 A HN 0.140 nan 8.150 nan 0.000 0.450 7381 V N 0.984 120.579 119.914 -0.531 0.000 2.251 7381 V HA -0.435 3.687 4.120 0.002 0.000 0.259 7381 V C 2.437 178.332 176.094 -0.333 0.000 1.078 7381 V CA 2.611 64.603 62.300 -0.512 0.000 1.072 7381 V CB -1.062 30.419 31.823 -0.569 0.000 0.681 7381 V HN 0.654 nan 8.190 nan 0.000 0.454 7382 N N -0.093 118.445 118.700 -0.270 0.000 2.043 7382 N HA -0.104 4.637 4.740 0.002 0.000 0.193 7382 N C 1.586 176.989 175.510 -0.179 0.000 1.037 7382 N CA 1.982 54.916 53.050 -0.193 0.000 0.851 7382 N CB -0.445 37.950 38.487 -0.152 0.000 1.027 7382 N HN 0.537 nan 8.380 nan 0.000 0.422 7383 I N 0.478 120.936 120.570 -0.187 0.000 3.083 7383 I HA -0.106 4.065 4.170 0.002 0.000 0.273 7383 I C 1.416 177.393 176.117 -0.233 0.000 1.297 7383 I CA 0.420 61.616 61.300 -0.173 0.000 1.452 7383 I CB 0.084 37.996 38.000 -0.147 0.000 1.078 7383 I HN 0.076 nan 8.210 nan 0.000 0.484 7384 L N -0.201 120.851 121.223 -0.285 0.000 2.586 7384 L HA 0.205 4.546 4.340 0.002 0.000 0.204 7384 L C 0.771 177.482 176.870 -0.264 0.000 1.053 7384 L CA 0.598 55.217 54.840 -0.367 0.000 0.856 7384 L CB -0.407 41.356 42.059 -0.494 0.000 1.192 7384 L HN 0.114 nan 8.230 nan 0.000 0.484 7385 K N 0.410 120.673 120.400 -0.230 0.000 3.353 7385 K HA -0.095 4.227 4.320 0.002 0.000 0.272 7385 K C -2.413 174.103 176.600 -0.140 0.000 1.071 7385 K CA -0.043 56.144 56.287 -0.168 0.000 0.789 7385 K CB -1.243 31.181 32.500 -0.126 0.000 1.325 7385 K HN 0.234 nan 8.250 nan 0.000 0.464 7386 P HA 0.020 nan 4.420 nan 0.000 0.275 7386 P C 0.552 177.803 177.300 -0.083 0.000 1.228 7386 P CA -0.068 62.965 63.100 -0.111 0.000 0.786 7386 P CB 1.576 33.194 31.700 -0.136 0.000 0.927 7387 S N 1.146 116.823 115.700 -0.039 0.000 2.371 7387 S HA 0.005 4.476 4.470 0.002 0.000 0.224 7387 S C 0.784 175.353 174.600 -0.051 0.000 1.029 7387 S CA 0.841 59.033 58.200 -0.014 0.000 0.978 7387 S CB -0.730 62.512 63.200 0.071 0.000 0.833 7387 S HN 0.559 nan 8.310 nan 0.000 0.466 7388 T N 2.111 116.609 114.554 -0.092 0.000 2.908 7388 T HA 0.698 5.049 4.350 0.002 0.000 0.290 7388 T C -1.374 173.249 174.700 -0.130 0.000 1.034 7388 T CA -0.485 61.545 62.100 -0.117 0.000 1.010 7388 T CB 1.911 70.660 68.868 -0.198 0.000 1.068 7388 T HN 0.159 nan 8.240 nan 0.000 0.481 7389 I N 2.454 122.977 120.570 -0.079 0.000 2.499 7389 I HA 0.590 4.761 4.170 0.002 0.000 0.288 7389 I C -1.622 174.608 176.117 0.189 0.000 1.048 7389 I CA -1.838 59.455 61.300 -0.012 0.000 1.062 7389 I CB 1.141 39.045 38.000 -0.159 0.000 1.238 7389 I HN 0.615 nan 8.210 nan 0.000 0.426 7390 I N 6.780 127.517 120.570 0.279 0.000 2.418 7390 I HA 0.506 4.677 4.170 0.002 0.000 0.287 7390 I C 0.606 177.082 176.117 0.597 0.000 1.008 7390 I CA -0.678 60.897 61.300 0.457 0.000 1.104 7390 I CB 2.025 40.185 38.000 0.266 0.000 1.264 7390 I HN 0.707 nan 8.210 nan 0.000 0.438 7391 G N 5.591 114.688 108.800 0.496 0.000 2.448 7391 G HA2 0.481 4.442 3.960 0.002 0.000 0.309 7391 G HA3 0.481 4.442 3.960 0.002 0.000 0.309 7391 G C -0.407 174.526 174.900 0.056 0.000 1.027 7391 G CA -0.120 44.995 45.100 0.026 0.000 1.104 7391 G HN 0.407 nan 8.290 nan 0.000 0.428 7392 V N 2.181 122.138 119.914 0.071 0.000 2.564 7392 V HA 0.559 4.681 4.120 0.002 0.000 0.259 7392 V C 0.410 176.492 176.094 -0.020 0.000 0.936 7392 V CA 0.185 62.508 62.300 0.038 0.000 0.867 7392 V CB 0.720 32.582 31.823 0.065 0.000 1.076 7392 V HN 0.997 nan 8.190 nan 0.000 0.476 7393 A N 1.669 124.457 122.820 -0.053 0.000 2.653 7393 A HA 0.546 4.867 4.320 0.002 0.000 0.231 7393 A C 1.400 178.942 177.584 -0.070 0.000 1.146 7393 A CA 0.356 52.350 52.037 -0.071 0.000 1.024 7393 A CB 0.001 18.945 19.000 -0.094 0.000 1.202 7393 A HN 1.614 nan 8.150 nan 0.000 0.543 7394 G N 0.244 109.008 108.800 -0.060 0.000 2.451 7394 G HA2 0.020 3.981 3.960 0.002 0.000 0.296 7394 G HA3 0.020 3.981 3.960 0.002 0.000 0.296 7394 G C 0.753 175.621 174.900 -0.054 0.000 0.922 7394 G CA 0.682 45.752 45.100 -0.051 0.000 1.074 7394 G HN 1.784 nan 8.290 nan 0.000 0.509 7395 A N -0.350 122.430 122.820 -0.067 0.000 2.574 7395 A HA 0.713 5.034 4.320 0.002 0.000 0.283 7395 A C 1.710 179.268 177.584 -0.043 0.000 1.270 7395 A CA 1.079 53.083 52.037 -0.055 0.000 0.945 7395 A CB -0.166 18.798 19.000 -0.061 0.000 1.127 7395 A HN 2.527 nan 8.150 nan 0.000 0.522 7396 G N 0.400 109.174 108.800 -0.044 0.000 2.632 7396 G HA2 -0.198 3.764 3.960 0.002 0.000 0.224 7396 G HA3 -0.198 3.764 3.960 0.002 0.000 0.224 7396 G C -0.342 174.535 174.900 -0.038 0.000 1.341 7396 G CA -0.613 44.471 45.100 -0.025 0.000 0.880 7396 G HN 0.645 nan 8.290 nan 0.000 0.566 7397 R N 0.067 120.566 120.500 -0.002 0.000 2.540 7397 R HA 0.196 4.537 4.340 0.002 0.000 0.317 7397 R C 0.200 176.520 176.300 0.034 0.000 1.233 7397 R CA 0.138 56.246 56.100 0.014 0.000 1.003 7397 R CB -0.217 30.109 30.300 0.043 0.000 1.034 7397 R HN 0.324 nan 8.270 nan 0.000 0.483 7398 L N 1.994 123.221 121.223 0.007 0.000 3.014 7398 L HA 0.269 4.611 4.340 0.002 0.000 0.263 7398 L C 0.041 177.134 176.870 0.372 0.000 1.207 7398 L CA 0.417 55.319 54.840 0.104 0.000 1.017 7398 L CB 0.276 42.341 42.059 0.010 0.000 1.360 7398 L HN 0.503 nan 8.230 nan 0.000 0.560 7399 F N 0.740 120.761 119.950 0.119 0.000 2.434 7399 F HA 0.187 4.715 4.527 0.002 0.000 0.316 7399 F C 1.188 177.030 175.800 0.071 0.000 1.222 7399 F CA -0.924 57.160 58.000 0.140 0.000 1.207 7399 F CB 0.595 39.673 39.000 0.131 0.000 1.466 7399 F HN 0.020 nan 8.300 nan 0.000 0.545 7400 T N -0.354 114.346 114.554 0.243 0.000 2.908 7400 T HA -0.020 4.331 4.350 0.002 0.000 0.325 7400 T C -1.130 173.612 174.700 0.070 0.000 1.092 7400 T CA -1.166 61.008 62.100 0.124 0.000 1.125 7400 T CB 1.091 70.017 68.868 0.096 0.000 1.016 7400 T HN 0.182 nan 8.240 nan 0.000 0.550 7401 P HA -0.118 nan 4.420 nan 0.000 0.217 7401 P C 0.941 178.234 177.300 -0.010 0.000 1.148 7401 P CA 1.345 64.447 63.100 0.003 0.000 0.834 7401 P CB 0.020 31.719 31.700 -0.002 0.000 0.783 7402 D N -0.626 119.772 120.400 -0.003 0.000 2.097 7402 D HA -0.109 4.532 4.640 0.002 0.000 0.195 7402 D C 2.101 178.374 176.300 -0.046 0.000 0.989 7402 D CA 0.765 54.753 54.000 -0.021 0.000 0.827 7402 D CB -0.855 39.938 40.800 -0.012 0.000 0.966 7402 D HN -0.076 nan 8.370 nan 0.000 0.456 7403 V N 0.492 120.385 119.914 -0.035 0.000 2.358 7403 V HA -0.160 3.961 4.120 0.002 0.000 0.246 7403 V C 2.266 178.287 176.094 -0.122 0.000 1.047 7403 V CA 1.045 63.292 62.300 -0.089 0.000 1.035 7403 V CB -0.213 31.601 31.823 -0.015 0.000 0.658 7403 V HN 0.231 nan 8.190 nan 0.000 0.452 7404 I N 0.526 121.053 120.570 -0.072 0.000 2.361 7404 I HA -0.240 3.932 4.170 0.002 0.000 0.251 7404 I C 2.649 178.719 176.117 -0.077 0.000 1.133 7404 I CA 1.759 63.008 61.300 -0.085 0.000 1.413 7404 I CB -0.475 37.495 38.000 -0.051 0.000 1.073 7404 I HN 0.418 nan 8.210 nan 0.000 0.424 7405 R N 1.971 122.434 120.500 -0.063 0.000 2.080 7405 R HA 0.188 4.530 4.340 0.002 0.000 0.222 7405 R C 1.572 177.832 176.300 -0.067 0.000 1.107 7405 R CA 0.621 56.689 56.100 -0.053 0.000 0.980 7405 R CB -0.610 29.666 30.300 -0.040 0.000 0.879 7405 R HN 0.143 nan 8.270 nan 0.000 0.439 7409 S N 0.442 116.116 115.700 -0.044 0.000 2.396 7409 S HA -0.065 4.406 4.470 0.002 0.000 0.204 7409 S C 1.794 176.368 174.600 -0.042 0.000 1.060 7409 S CA 1.566 59.742 58.200 -0.040 0.000 1.098 7409 S CB -0.657 62.514 63.200 -0.048 0.000 1.022 7409 S HN 0.568 nan 8.310 nan 0.000 0.413 7410 I N 1.911 122.447 120.570 -0.058 0.000 2.317 7410 I HA -0.307 3.864 4.170 0.002 0.000 0.252 7410 I C 0.255 176.345 176.117 -0.046 0.000 1.018 7410 I CA 1.330 62.593 61.300 -0.061 0.000 1.330 7410 I CB -0.748 37.200 38.000 -0.088 0.000 1.014 7410 I HN 0.326 nan 8.210 nan 0.000 0.439 7411 N N 0.719 119.397 118.700 -0.037 0.000 2.371 7411 N HA 0.142 4.883 4.740 0.002 0.000 0.291 7411 N C 0.012 175.517 175.510 -0.008 0.000 1.053 7411 N CA -0.574 52.463 53.050 -0.020 0.000 0.870 7411 N CB 1.762 40.239 38.487 -0.018 0.000 1.503 7411 N HN -0.017 nan 8.380 nan 0.000 0.485 7412 E N 1.017 121.216 120.200 -0.002 0.000 2.396 7412 E HA -0.110 4.242 4.350 0.002 0.000 0.200 7412 E C -0.052 176.558 176.600 0.017 0.000 1.023 7412 E CA 1.118 57.521 56.400 0.006 0.000 0.857 7412 E CB 0.140 29.843 29.700 0.005 0.000 0.775 7412 E HN 0.450 nan 8.360 nan 0.000 0.525 7413 R N 0.202 120.714 120.500 0.019 0.000 2.928 7413 R HA 0.226 4.568 4.340 0.002 0.000 0.248 7413 R C -2.666 173.655 176.300 0.034 0.000 1.796 7413 R CA -1.276 54.844 56.100 0.033 0.000 1.477 7413 R CB 1.477 31.795 30.300 0.030 0.000 1.484 7413 R HN -0.030 nan 8.270 nan 0.000 0.623 7414 P HA 0.205 nan 4.420 nan 0.000 0.278 7414 P C -0.036 177.297 177.300 0.056 0.000 1.238 7414 P CA -0.362 62.747 63.100 0.014 0.000 0.794 7414 P CB 1.390 33.078 31.700 -0.021 0.000 0.955 7415 V N 3.538 123.484 119.914 0.052 0.000 2.398 7415 V HA 0.446 4.567 4.120 0.002 0.000 0.286 7415 V C 0.459 176.669 176.094 0.193 0.000 1.026 7415 V CA -0.693 61.694 62.300 0.144 0.000 0.868 7415 V CB 1.114 32.992 31.823 0.092 0.000 0.982 7415 V HN 0.422 nan 8.190 nan 0.000 0.443 7416 I N 1.346 122.134 120.570 0.363 0.000 2.418 7416 I HA 0.643 4.815 4.170 0.002 0.000 0.287 7416 I C -1.766 174.765 176.117 0.690 0.000 1.008 7416 I CA -0.720 60.845 61.300 0.442 0.000 1.104 7416 I CB 1.556 39.751 38.000 0.325 0.000 1.264 7416 I HN 0.392 nan 8.210 nan 0.000 0.438 7417 F N 5.064 125.213 119.950 0.330 0.000 2.434 7417 F HA 0.653 5.181 4.527 0.002 0.000 0.355 7417 F C 0.526 176.501 175.800 0.292 0.000 1.115 7417 F CA -0.997 57.125 58.000 0.205 0.000 1.010 7417 F CB 2.037 41.132 39.000 0.157 0.000 1.234 7417 F HN 0.701 nan 8.300 nan 0.000 0.439 7418 A N 4.541 127.525 122.820 0.274 0.000 2.774 7418 A HA 0.487 4.808 4.320 0.002 0.000 0.326 7418 A C 0.515 178.166 177.584 0.111 0.000 1.478 7418 A CA -0.193 51.943 52.037 0.165 0.000 1.099 7418 A CB -0.238 18.938 19.000 0.293 0.000 1.148 7418 A HN 0.631 nan 8.150 nan 0.000 0.519 7419 L N 0.964 122.259 121.223 0.120 0.000 2.375 7419 L HA 0.095 4.436 4.340 0.002 0.000 0.215 7419 L C 1.431 178.339 176.870 0.063 0.000 1.108 7419 L CA 0.757 55.662 54.840 0.108 0.000 0.830 7419 L CB -1.295 40.863 42.059 0.164 0.000 0.959 7419 L HN 0.489 nan 8.230 nan 0.000 0.457 7420 S N 1.119 116.837 115.700 0.031 0.000 2.554 7420 S HA 0.089 4.560 4.470 0.002 0.000 0.290 7420 S C 0.412 175.019 174.600 0.012 0.000 1.309 7420 S CA 0.127 58.330 58.200 0.004 0.000 1.047 7420 S CB 0.207 63.385 63.200 -0.036 0.000 0.828 7420 S HN 0.338 nan 8.310 nan 0.000 0.509 7421 N N 1.638 120.334 118.700 -0.006 0.000 2.455 7421 N HA 0.537 5.279 4.740 0.002 0.000 0.278 7421 N C -2.738 172.752 175.510 -0.032 0.000 1.291 7421 N CA -1.253 51.785 53.050 -0.020 0.000 0.780 7421 N CB 1.420 39.891 38.487 -0.027 0.000 1.520 7421 N HN 0.305 nan 8.380 nan 0.000 0.486 7422 P HA 0.192 nan 4.420 nan 0.000 0.297 7422 P C 0.330 177.597 177.300 -0.054 0.000 1.303 7422 P CA -0.064 63.001 63.100 -0.059 0.000 0.753 7422 P CB 0.048 31.705 31.700 -0.072 0.000 1.281 7423 T N -0.849 113.646 114.554 -0.098 0.000 3.154 7423 T HA -0.042 4.310 4.350 0.002 0.000 0.270 7423 T C 1.391 176.071 174.700 -0.033 0.000 1.193 7423 T CA 1.472 63.496 62.100 -0.128 0.000 1.056 7423 T CB -0.800 67.905 68.868 -0.272 0.000 0.848 7423 T HN 0.515 nan 8.240 nan 0.000 0.584 7424 A N 0.126 122.934 122.820 -0.020 0.000 2.108 7424 A HA 0.246 4.567 4.320 0.002 0.000 0.206 7424 A C 2.100 179.688 177.584 0.007 0.000 1.212 7424 A CA -0.054 51.983 52.037 -0.000 0.000 0.843 7424 A CB 0.156 19.145 19.000 -0.017 0.000 0.902 7424 A HN 0.231 nan 8.150 nan 0.000 0.477 7425 Q N 0.171 119.969 119.800 -0.003 0.000 2.392 7425 Q HA 0.414 4.755 4.340 0.002 0.000 0.203 7425 Q C 0.815 176.811 176.000 -0.008 0.000 0.917 7425 Q CA 0.398 56.193 55.803 -0.012 0.000 0.939 7425 Q CB -0.358 28.365 28.738 -0.025 0.000 1.063 7425 Q HN 0.574 nan 8.270 nan 0.000 0.516 7426 A N 0.850 123.693 122.820 0.038 0.000 2.587 7426 A HA -0.083 4.238 4.320 0.002 0.000 0.235 7426 A C 0.897 178.481 177.584 -0.000 0.000 1.044 7426 A CA 0.157 52.242 52.037 0.081 0.000 0.754 7426 A CB 0.288 19.448 19.000 0.265 0.000 0.968 7426 A HN 0.142 nan 8.150 nan 0.000 0.509 7427 E N -0.027 120.092 120.200 -0.136 0.000 2.268 7427 E HA 0.020 4.371 4.350 0.002 0.000 0.195 7427 E C 0.799 177.334 176.600 -0.109 0.000 0.995 7427 E CA 1.412 57.609 56.400 -0.337 0.000 0.836 7427 E CB -0.299 28.718 29.700 -1.139 0.000 0.763 7427 E HN 0.918 nan 8.360 nan 0.000 0.491 7428 C N -3.986 115.332 119.300 0.029 0.000 3.188 7428 C HA 0.763 5.224 4.460 0.002 0.000 0.375 7428 C C -0.566 174.402 174.990 -0.036 0.000 2.362 7428 C CA -0.224 58.828 59.018 0.058 0.000 1.150 7428 C CB 1.393 29.226 27.740 0.154 0.000 2.728 7428 C HN 0.129 nan 8.230 nan 0.000 0.419 7429 T N -0.904 113.448 114.554 -0.336 0.000 2.956 7429 T HA 0.617 4.968 4.350 0.002 0.000 0.312 7429 T C 0.942 174.919 174.700 -1.205 0.000 1.151 7429 T CA 0.778 62.413 62.100 -0.775 0.000 1.024 7429 T CB 1.511 70.182 68.868 -0.328 0.000 1.140 7429 T HN 2.342 nan 8.240 nan 0.000 0.473 7430 A N 2.760 124.623 122.820 -1.595 0.000 1.909 7430 A HA -0.192 4.129 4.320 0.002 0.000 0.221 7430 A C 1.991 179.087 177.584 -0.815 0.000 1.223 7430 A CA 2.943 54.190 52.037 -1.316 0.000 0.658 7430 A CB -1.457 17.308 19.000 -0.391 0.000 0.831 7430 A HN 1.051 nan 8.150 nan 0.000 0.462 7431 E N -0.256 119.684 120.200 -0.434 0.000 2.007 7431 E HA -0.252 4.100 4.350 0.002 0.000 0.203 7431 E C 1.856 178.295 176.600 -0.269 0.000 1.020 7431 E CA 1.795 58.065 56.400 -0.216 0.000 0.845 7431 E CB -0.383 29.250 29.700 -0.112 0.000 0.779 7431 E HN 0.683 nan 8.360 nan 0.000 0.466 7432 E N 0.043 120.077 120.200 -0.276 0.000 2.301 7432 E HA -0.303 4.048 4.350 0.002 0.000 0.202 7432 E C 1.654 178.081 176.600 -0.287 0.000 1.017 7432 E CA 0.710 56.977 56.400 -0.222 0.000 0.831 7432 E CB -0.206 29.383 29.700 -0.185 0.000 0.742 7432 E HN 0.420 nan 8.360 nan 0.000 0.491 7433 A N 0.710 123.211 122.820 -0.530 0.000 1.903 7433 A HA -0.085 4.237 4.320 0.002 0.000 0.217 7433 A C 1.782 179.182 177.584 -0.306 0.000 1.387 7433 A CA 0.763 52.446 52.037 -0.589 0.000 0.604 7433 A CB -1.144 17.078 19.000 -1.297 0.000 1.043 7433 A HN 0.263 nan 8.150 nan 0.000 0.481 7434 Y N 1.314 121.550 120.300 -0.107 0.000 2.228 7434 Y HA -0.284 4.268 4.550 0.002 0.000 0.285 7434 Y C 3.071 178.970 175.900 -0.003 0.000 1.178 7434 Y CA 1.620 59.753 58.100 0.055 0.000 1.202 7434 Y CB -0.709 37.864 38.460 0.189 0.000 0.974 7434 Y HN 0.557 nan 8.280 nan 0.000 0.527 7435 T N -2.302 112.284 114.554 0.055 0.000 2.904 7435 T HA -0.101 4.250 4.350 0.002 0.000 0.267 7435 T C 1.317 176.016 174.700 -0.001 0.000 1.059 7435 T CA 0.776 62.881 62.100 0.009 0.000 1.137 7435 T CB -0.437 68.413 68.868 -0.030 0.000 0.879 7435 T HN 0.141 nan 8.240 nan 0.000 0.467 7436 L N 2.305 123.515 121.223 -0.022 0.000 2.612 7436 L HA 0.328 4.670 4.340 0.002 0.000 0.230 7436 L C 1.803 178.672 176.870 -0.001 0.000 1.140 7436 L CA 0.892 55.718 54.840 -0.023 0.000 0.896 7436 L CB 0.008 42.038 42.059 -0.048 0.000 1.065 7436 L HN 0.637 nan 8.230 nan 0.000 0.447 7437 T N -6.368 108.209 114.554 0.038 0.000 3.262 7437 T HA 0.139 4.490 4.350 0.002 0.000 0.300 7437 T C 0.435 175.193 174.700 0.096 0.000 0.959 7437 T CA -0.204 61.933 62.100 0.062 0.000 0.936 7437 T CB 0.201 69.119 68.868 0.083 0.000 1.169 7437 T HN 0.134 nan 8.240 nan 0.000 0.532 7438 E N 0.959 121.213 120.200 0.090 0.000 3.065 7438 E HA -0.273 4.079 4.350 0.002 0.000 0.277 7438 E C 1.187 177.886 176.600 0.164 0.000 1.008 7438 E CA 1.216 57.669 56.400 0.089 0.000 0.864 7438 E CB -2.183 27.551 29.700 0.057 0.000 1.439 7438 E HN 1.406 nan 8.360 nan 0.000 0.445 7439 G N 0.028 109.002 108.800 0.289 0.000 2.159 7439 G HA2 -0.353 3.609 3.960 0.002 0.000 0.227 7439 G HA3 -0.353 3.609 3.960 0.002 0.000 0.227 7439 G C 0.699 175.741 174.900 0.236 0.000 0.986 7439 G CA 0.331 45.724 45.100 0.488 0.000 0.651 7439 G HN 0.300 nan 8.290 nan 0.000 0.523 7440 R N -0.098 120.511 120.500 0.180 0.000 2.317 7440 R HA 0.245 4.586 4.340 0.002 0.000 0.208 7440 R C 1.566 177.935 176.300 0.115 0.000 0.914 7440 R CA 0.755 56.919 56.100 0.107 0.000 1.060 7440 R CB -0.160 30.184 30.300 0.073 0.000 1.015 7440 R HN 0.752 nan 8.270 nan 0.000 0.498 7441 C N -0.935 118.481 119.300 0.193 0.000 2.349 7441 C HA 0.657 5.119 4.460 0.002 0.000 0.361 7441 C C 0.150 175.299 174.990 0.265 0.000 1.189 7441 C CA -1.273 57.862 59.018 0.195 0.000 2.155 7441 C CB 0.486 28.330 27.740 0.173 0.000 2.336 7441 C HN 0.161 nan 8.230 nan 0.000 0.540 7442 L N 2.328 123.695 121.223 0.239 0.000 2.387 7442 L HA 0.416 4.757 4.340 0.002 0.000 0.259 7442 L C -0.437 176.610 176.870 0.294 0.000 1.050 7442 L CA -0.034 54.955 54.840 0.248 0.000 0.922 7442 L CB 0.106 42.281 42.059 0.194 0.000 1.280 7442 L HN 0.683 nan 8.230 nan 0.000 0.449 7443 F N 2.849 122.857 119.950 0.096 0.000 2.404 7443 F HA 0.782 5.311 4.527 0.002 0.000 0.339 7443 F C 0.041 175.684 175.800 -0.260 0.000 1.105 7443 F CA -0.716 57.214 58.000 -0.118 0.000 1.087 7443 F CB 1.329 40.085 39.000 -0.406 0.000 1.143 7443 F HN 0.396 nan 8.300 nan 0.000 0.491 7444 A N 3.967 125.878 122.820 -1.516 0.000 2.437 7444 A HA 0.634 4.955 4.320 0.002 0.000 0.293 7444 A C -1.177 175.658 177.584 -1.249 0.000 1.038 7444 A CA -0.334 50.842 52.037 -1.435 0.000 0.708 7444 A CB 0.962 18.751 19.000 -2.019 0.000 1.251 7444 A HN 0.915 nan 8.150 nan 0.000 0.409 7445 S N 0.956 116.209 115.700 -0.744 0.000 2.578 7445 S HA 0.672 5.143 4.470 0.002 0.000 0.301 7445 S C 0.914 175.496 174.600 -0.030 0.000 1.091 7445 S CA -0.032 58.023 58.200 -0.242 0.000 1.032 7445 S CB 1.694 65.011 63.200 0.195 0.000 1.064 7445 S HN 1.510 nan 8.310 nan 0.000 0.508 7446 G N 0.961 109.786 108.800 0.042 0.000 2.464 7446 G HA2 0.211 4.172 3.960 0.002 0.000 0.217 7446 G HA3 0.211 4.172 3.960 0.002 0.000 0.217 7446 G C 0.323 175.233 174.900 0.016 0.000 1.138 7446 G CA 0.300 45.419 45.100 0.032 0.000 0.793 7446 G HN 0.870 nan 8.290 nan 0.000 0.539 7447 S N 0.550 116.275 115.700 0.041 0.000 2.621 7447 S HA 0.637 5.108 4.470 0.002 0.000 0.302 7447 S C -3.009 171.531 174.600 -0.100 0.000 1.093 7447 S CA -1.738 56.428 58.200 -0.055 0.000 1.017 7447 S CB 2.254 65.382 63.200 -0.119 0.000 1.077 7447 S HN -0.102 nan 8.310 nan 0.000 0.517 7448 P HA 0.385 nan 4.420 nan 0.000 0.267 7448 P C -1.100 175.938 177.300 -0.437 0.000 1.201 7448 P CA 0.112 63.111 63.100 -0.169 0.000 0.775 7448 P CB 0.033 31.650 31.700 -0.139 0.000 0.854 7449 F N -0.505 119.506 119.950 0.102 0.000 2.656 7449 F HA 0.338 4.867 4.527 0.002 0.000 0.326 7449 F C 0.747 176.627 175.800 0.134 0.000 1.109 7449 F CA -0.658 57.418 58.000 0.127 0.000 1.086 7449 F CB 1.152 40.273 39.000 0.200 0.000 1.324 7449 F HN 0.311 nan 8.300 nan 0.000 0.511 7450 G N 1.976 110.953 108.800 0.296 0.000 2.535 7450 G HA2 0.610 4.571 3.960 0.002 0.000 0.282 7450 G HA3 0.610 4.571 3.960 0.002 0.000 0.282 7450 G C -2.755 172.286 174.900 0.236 0.000 1.350 7450 G CA -1.425 43.803 45.100 0.214 0.000 1.039 7450 G HN 0.268 nan 8.290 nan 0.000 0.509 7451 P HA 0.293 nan 4.420 nan 0.000 0.270 7451 P C -0.683 176.715 177.300 0.164 0.000 1.223 7451 P CA -0.306 62.906 63.100 0.186 0.000 0.785 7451 P CB 0.978 32.756 31.700 0.131 0.000 0.923 7452 V N 2.158 122.171 119.914 0.165 0.000 2.483 7452 V HA 0.356 4.477 4.120 0.002 0.000 0.297 7452 V C 0.015 176.053 176.094 -0.093 0.000 1.027 7452 V CA -0.570 61.781 62.300 0.085 0.000 0.855 7452 V CB 1.612 33.563 31.823 0.214 0.000 0.995 7452 V HN 0.444 nan 8.190 nan 0.000 0.424 7453 K N 5.716 126.058 120.400 -0.098 0.000 2.389 7453 K HA 0.530 4.851 4.320 0.002 0.000 0.261 7453 K C -0.807 175.696 176.600 -0.161 0.000 1.014 7453 K CA -0.490 55.697 56.287 -0.167 0.000 0.920 7453 K CB 1.206 33.652 32.500 -0.090 0.000 1.149 7453 K HN 0.533 nan 8.250 nan 0.000 0.444 7454 L N 1.846 122.923 121.223 -0.243 0.000 2.464 7454 L HA 0.174 4.516 4.340 0.002 0.000 0.224 7454 L C 2.399 179.201 176.870 -0.112 0.000 1.219 7454 L CA 0.082 54.824 54.840 -0.164 0.000 0.831 7454 L CB -0.370 41.575 42.059 -0.189 0.000 1.284 7454 L HN 0.736 nan 8.230 nan 0.000 0.522 7455 T N -2.110 112.397 114.554 -0.078 0.000 2.803 7455 T HA -0.198 4.154 4.350 0.002 0.000 0.269 7455 T C 1.149 175.817 174.700 -0.053 0.000 1.052 7455 T CA 1.532 63.600 62.100 -0.054 0.000 1.136 7455 T CB -0.697 68.148 68.868 -0.039 0.000 0.864 7455 T HN 0.805 nan 8.240 nan 0.000 0.467 7456 D N 0.427 120.789 120.400 -0.064 0.000 2.347 7456 D HA 0.253 4.894 4.640 0.002 0.000 0.215 7456 D C 1.630 177.895 176.300 -0.057 0.000 0.976 7456 D CA 0.739 54.708 54.000 -0.051 0.000 0.884 7456 D CB -0.841 39.932 40.800 -0.045 0.000 0.915 7456 D HN 0.706 nan 8.370 nan 0.000 0.526 7457 G N 0.067 108.818 108.800 -0.082 0.000 2.131 7457 G HA2 -0.285 3.676 3.960 0.002 0.000 0.201 7457 G HA3 -0.285 3.676 3.960 0.002 0.000 0.201 7457 G C -0.122 174.715 174.900 -0.105 0.000 1.000 7457 G CA -0.482 44.572 45.100 -0.078 0.000 0.680 7457 G HN 0.352 nan 8.290 nan 0.000 0.514 7458 R N 0.541 120.928 120.500 -0.189 0.000 2.210 7458 R HA 0.485 4.826 4.340 0.002 0.000 0.338 7458 R C 0.699 176.734 176.300 -0.443 0.000 1.062 7458 R CA -0.213 55.725 56.100 -0.270 0.000 0.902 7458 R CB 1.182 31.269 30.300 -0.354 0.000 1.050 7458 R HN 0.308 nan 8.270 nan 0.000 0.461 7459 V N 2.301 122.119 119.914 -0.159 0.000 2.488 7459 V HA 0.371 4.492 4.120 0.002 0.000 0.277 7459 V C -0.306 175.909 176.094 0.203 0.000 1.046 7459 V CA -0.479 61.782 62.300 -0.064 0.000 0.986 7459 V CB 0.456 32.294 31.823 0.025 0.000 0.989 7459 V HN 0.426 nan 8.190 nan 0.000 0.475 7460 F N 2.189 122.088 119.950 -0.085 0.000 2.430 7460 F HA 0.459 4.987 4.527 0.002 0.000 0.362 7460 F C 0.715 176.515 175.800 0.000 0.000 1.103 7460 F CA -1.123 56.774 58.000 -0.171 0.000 1.045 7460 F CB 1.376 40.026 39.000 -0.583 0.000 1.276 7460 F HN 0.498 nan 8.300 nan 0.000 0.444 7461 T N 5.876 120.552 114.554 0.204 0.000 2.814 7461 T HA 0.326 4.678 4.350 0.002 0.000 0.297 7461 T C -2.338 172.501 174.700 0.231 0.000 0.956 7461 T CA -0.976 61.242 62.100 0.196 0.000 1.123 7461 T CB 1.011 69.959 68.868 0.133 0.000 0.902 7461 T HN 0.189 nan 8.240 nan 0.000 0.528 7462 P HA 0.529 nan 4.420 nan 0.000 0.283 7462 P C -0.360 177.074 177.300 0.223 0.000 1.271 7462 P CA -0.600 62.704 63.100 0.339 0.000 0.841 7462 P CB 1.251 33.229 31.700 0.463 0.000 1.122 7463 G N 0.038 108.932 108.800 0.156 0.000 2.416 7463 G HA2 0.490 4.451 3.960 0.002 0.000 0.329 7463 G HA3 0.490 4.451 3.960 0.002 0.000 0.329 7463 G C -1.360 173.682 174.900 0.236 0.000 1.173 7463 G CA -0.465 44.769 45.100 0.223 0.000 0.929 7463 G HN 0.560 nan 8.290 nan 0.000 0.475 7464 Q N 0.755 120.707 119.800 0.254 0.000 2.309 7464 Q HA 0.557 4.899 4.340 0.002 0.000 0.264 7464 Q C -0.014 175.905 176.000 -0.135 0.000 1.008 7464 Q CA -0.976 54.876 55.803 0.082 0.000 0.853 7464 Q CB 1.790 30.560 28.738 0.053 0.000 1.314 7464 Q HN 0.583 nan 8.270 nan 0.000 0.448 7465 G N 3.652 112.249 108.800 -0.338 0.000 4.464 7465 G HA2 0.053 4.015 3.960 0.002 0.000 0.297 7465 G HA3 0.053 4.015 3.960 0.002 0.000 0.297 7465 G C -0.222 174.525 174.900 -0.254 0.000 1.342 7465 G CA -0.388 44.311 45.100 -0.667 0.000 1.335 7465 G HN 0.514 nan 8.290 nan 0.000 0.609 7466 N N 0.942 119.489 118.700 -0.254 0.000 2.452 7466 N HA -0.004 4.737 4.740 0.002 0.000 0.266 7466 N C 1.149 176.579 175.510 -0.133 0.000 1.209 7466 N CA -0.288 52.655 53.050 -0.177 0.000 0.929 7466 N CB 0.765 39.111 38.487 -0.236 0.000 1.063 7466 N HN 0.150 nan 8.380 nan 0.000 0.472 7467 N N 1.591 120.331 118.700 0.067 0.000 2.588 7467 N HA -0.135 4.606 4.740 0.002 0.000 0.190 7467 N C 1.432 177.004 175.510 0.103 0.000 1.094 7467 N CA 0.171 53.330 53.050 0.182 0.000 0.921 7467 N CB -0.036 38.648 38.487 0.328 0.000 0.959 7467 N HN 0.378 nan 8.380 nan 0.000 0.448 7468 V N -0.370 119.527 119.914 -0.028 0.000 3.330 7468 V HA -0.194 3.927 4.120 0.002 0.000 0.273 7468 V C 1.092 176.904 176.094 -0.470 0.000 1.179 7468 V CA 1.267 63.375 62.300 -0.319 0.000 1.174 7468 V CB -0.735 30.979 31.823 -0.181 0.000 0.794 7468 V HN 0.329 nan 8.190 nan 0.000 0.527 7469 Y N -1.151 119.005 120.300 -0.240 0.000 2.262 7469 Y HA -0.005 4.546 4.550 0.002 0.000 0.295 7469 Y C 2.079 177.832 175.900 -0.245 0.000 1.121 7469 Y CA 1.092 59.078 58.100 -0.189 0.000 1.144 7469 Y CB 0.122 38.534 38.460 -0.080 0.000 1.043 7469 Y HN 0.305 nan 8.280 nan 0.000 0.528 7470 I N -0.292 120.255 120.570 -0.039 0.000 2.404 7470 I HA -0.212 3.959 4.170 0.002 0.000 0.231 7470 I C 2.274 178.258 176.117 -0.222 0.000 1.064 7470 I CA 0.885 62.141 61.300 -0.072 0.000 1.383 7470 I CB -1.588 36.468 38.000 0.094 0.000 1.171 7470 I HN 0.222 nan 8.210 nan 0.000 0.422 7471 F N 1.577 121.513 119.950 -0.023 0.000 2.135 7471 F HA -0.196 4.332 4.527 0.002 0.000 0.300 7471 F C -0.808 174.777 175.800 -0.358 0.000 1.074 7471 F CA 1.303 59.245 58.000 -0.098 0.000 1.262 7471 F CB -3.106 35.961 39.000 0.111 0.000 1.013 7471 F HN 0.158 nan 8.300 nan 0.000 0.489 7472 P HA 0.036 nan 4.420 nan 0.000 0.215 7472 P C 2.122 179.217 177.300 -0.341 0.000 1.157 7472 P CA 2.156 64.895 63.100 -0.602 0.000 0.859 7472 P CB -0.483 30.870 31.700 -0.579 0.000 0.786 7473 G N -0.148 108.478 108.800 -0.289 0.000 2.402 7473 G HA2 -0.185 3.776 3.960 0.002 0.000 0.216 7473 G HA3 -0.185 3.776 3.960 0.002 0.000 0.216 7473 G C 1.674 176.458 174.900 -0.193 0.000 1.162 7473 G CA 0.549 45.534 45.100 -0.192 0.000 0.777 7473 G HN 0.125 nan 8.290 nan 0.000 0.539 7474 V N 1.727 121.499 119.914 -0.237 0.000 2.233 7474 V HA -0.190 3.931 4.120 0.002 0.000 0.247 7474 V C 3.371 179.327 176.094 -0.230 0.000 1.050 7474 V CA 2.257 64.382 62.300 -0.291 0.000 1.010 7474 V CB -1.039 30.526 31.823 -0.430 0.000 0.637 7474 V HN 0.485 nan 8.190 nan 0.000 0.444 7475 A N -0.173 122.541 122.820 -0.178 0.000 1.869 7475 A HA -0.290 4.032 4.320 0.002 0.000 0.218 7475 A C 2.193 179.747 177.584 -0.050 0.000 1.203 7475 A CA 2.469 54.480 52.037 -0.042 0.000 0.638 7475 A CB -0.907 18.093 19.000 0.001 0.000 0.831 7475 A HN 0.443 nan 8.150 nan 0.000 0.450 7476 L N -0.392 120.779 121.223 -0.086 0.000 2.051 7476 L HA -0.221 4.120 4.340 0.002 0.000 0.214 7476 L C 2.658 179.480 176.870 -0.080 0.000 1.076 7476 L CA 2.354 57.152 54.840 -0.071 0.000 0.758 7476 L CB -1.303 40.705 42.059 -0.085 0.000 0.890 7476 L HN 0.463 nan 8.230 nan 0.000 0.433 7477 A N -1.164 121.594 122.820 -0.103 0.000 1.821 7477 A HA -0.162 4.160 4.320 0.002 0.000 0.215 7477 A C 2.190 179.716 177.584 -0.097 0.000 1.216 7477 A CA 2.430 54.407 52.037 -0.101 0.000 0.615 7477 A CB -1.305 17.618 19.000 -0.128 0.000 0.862 7477 A HN 0.264 nan 8.150 nan 0.000 0.450 7478 V N 0.067 119.910 119.914 -0.118 0.000 2.311 7478 V HA -0.382 3.739 4.120 0.002 0.000 0.259 7478 V C 2.399 178.457 176.094 -0.060 0.000 1.086 7478 V CA 2.528 64.768 62.300 -0.100 0.000 1.078 7478 V CB -0.999 30.768 31.823 -0.093 0.000 0.668 7478 V HN 0.544 nan 8.190 nan 0.000 0.452 7479 I N -0.791 119.756 120.570 -0.038 0.000 2.163 7479 I HA -0.208 3.964 4.170 0.002 0.000 0.240 7479 I C 2.105 178.217 176.117 -0.009 0.000 1.081 7479 I CA 1.639 62.927 61.300 -0.021 0.000 1.353 7479 I CB -0.197 37.791 38.000 -0.019 0.000 1.054 7479 I HN 0.219 nan 8.210 nan 0.000 0.407 7480 L N -1.040 120.173 121.223 -0.017 0.000 2.465 7480 L HA -0.154 4.187 4.340 0.002 0.000 0.224 7480 L C 2.060 178.978 176.870 0.080 0.000 1.145 7480 L CA 0.295 55.154 54.840 0.031 0.000 0.834 7480 L CB -0.430 41.597 42.059 -0.053 0.000 0.944 7480 L HN 0.359 nan 8.230 nan 0.000 0.451 7481 C N -0.196 119.092 119.300 -0.020 0.000 2.780 7481 C HA 0.127 4.589 4.460 0.002 0.000 0.267 7481 C C 1.503 176.464 174.990 -0.049 0.000 1.266 7481 C CA -0.063 58.891 59.018 -0.107 0.000 1.709 7481 C CB -1.375 26.252 27.740 -0.188 0.000 1.975 7481 C HN 0.683 nan 8.230 nan 0.000 0.582 7482 N N -0.160 118.538 118.700 -0.004 0.000 2.678 7482 N HA -0.162 4.579 4.740 0.002 0.000 0.250 7482 N C -0.203 175.234 175.510 -0.122 0.000 1.136 7482 N CA 0.442 53.503 53.050 0.019 0.000 0.757 7482 N CB -1.249 37.320 38.487 0.136 0.000 1.135 7482 N HN 0.494 nan 8.380 nan 0.000 0.565 7483 T N -0.150 114.299 114.554 -0.176 0.000 2.939 7483 T HA 0.076 4.428 4.350 0.002 0.000 0.312 7483 T C 1.716 176.251 174.700 -0.276 0.000 1.064 7483 T CA 0.994 62.922 62.100 -0.286 0.000 1.136 7483 T CB 0.985 69.752 68.868 -0.168 0.000 1.035 7483 T HN 0.567 nan 8.240 nan 0.000 0.538 7484 R N 1.950 122.224 120.500 -0.376 0.000 2.128 7484 R HA 0.170 4.511 4.340 0.002 0.000 0.211 7484 R C 0.600 176.997 176.300 0.162 0.000 1.067 7484 R CA 1.034 57.097 56.100 -0.061 0.000 1.010 7484 R CB -0.508 29.788 30.300 -0.006 0.000 0.922 7484 R HN 0.843 nan 8.270 nan 0.000 0.457 7485 H N -1.316 117.676 119.070 -0.130 0.000 2.894 7485 H HA 0.639 5.197 4.556 0.002 0.000 0.368 7485 H C -0.706 174.607 175.328 -0.024 0.000 1.181 7485 H CA -1.500 54.530 56.048 -0.030 0.000 1.146 7485 H CB 1.682 31.441 29.762 -0.005 0.000 1.839 7485 H HN 0.139 nan 8.280 nan 0.000 0.557 7486 I N 1.298 121.952 120.570 0.140 0.000 2.354 7486 I HA 0.333 4.505 4.170 0.002 0.000 0.286 7486 I C -0.213 176.001 176.117 0.162 0.000 1.007 7486 I CA -0.735 60.613 61.300 0.081 0.000 1.167 7486 I CB 0.756 38.800 38.000 0.074 0.000 1.320 7486 I HN 0.434 nan 8.210 nan 0.000 0.458 7487 S N 3.865 119.633 115.700 0.113 0.000 2.562 7487 S HA 0.258 4.730 4.470 0.002 0.000 0.275 7487 S C 0.814 175.544 174.600 0.216 0.000 1.281 7487 S CA -0.755 57.538 58.200 0.155 0.000 1.045 7487 S CB 1.967 65.247 63.200 0.132 0.000 0.962 7487 S HN 0.528 nan 8.310 nan 0.000 0.503 7488 D N 2.449 122.996 120.400 0.245 0.000 2.133 7488 D HA -0.175 4.467 4.640 0.002 0.000 0.192 7488 D C 2.040 178.486 176.300 0.242 0.000 1.001 7488 D CA 2.011 56.184 54.000 0.289 0.000 0.844 7488 D CB -0.482 40.413 40.800 0.157 0.000 0.944 7488 D HN 0.734 nan 8.370 nan 0.000 0.447 7489 S N 0.686 116.478 115.700 0.155 0.000 2.441 7489 S HA -0.144 4.327 4.470 0.002 0.000 0.242 7489 S C 2.275 176.826 174.600 -0.081 0.000 1.018 7489 S CA 0.940 59.209 58.200 0.115 0.000 0.988 7489 S CB -0.663 62.666 63.200 0.214 0.000 0.778 7489 S HN 0.150 nan 8.310 nan 0.000 0.498 7490 V N 0.240 120.059 119.914 -0.157 0.000 2.591 7490 V HA -0.023 4.098 4.120 0.002 0.000 0.249 7490 V C 2.003 177.848 176.094 -0.414 0.000 1.053 7490 V CA 1.291 63.307 62.300 -0.474 0.000 1.068 7490 V CB -1.066 30.483 31.823 -0.457 0.000 0.689 7490 V HN 0.379 nan 8.190 nan 0.000 0.462 7491 F N 0.078 119.927 119.950 -0.168 0.000 2.094 7491 F HA -0.036 4.492 4.527 0.002 0.000 0.291 7491 F C 2.217 177.972 175.800 -0.074 0.000 1.109 7491 F CA 1.676 59.608 58.000 -0.115 0.000 1.221 7491 F CB -0.788 38.180 39.000 -0.054 0.000 1.014 7491 F HN 0.021 nan 8.300 nan 0.000 0.473 7492 L N 0.613 121.940 121.223 0.172 0.000 2.103 7492 L HA -0.305 4.036 4.340 0.002 0.000 0.215 7492 L C 2.300 179.196 176.870 0.044 0.000 1.080 7492 L CA 2.294 57.199 54.840 0.109 0.000 0.764 7492 L CB -0.457 41.669 42.059 0.112 0.000 0.890 7492 L HN 0.316 nan 8.230 nan 0.000 0.435 7493 E N -0.026 120.149 120.200 -0.042 0.000 2.076 7493 E HA -0.120 4.232 4.350 0.002 0.000 0.190 7493 E C 2.045 178.598 176.600 -0.078 0.000 0.979 7493 E CA 1.186 57.542 56.400 -0.073 0.000 0.807 7493 E CB -0.397 29.151 29.700 -0.252 0.000 0.761 7493 E HN 0.485 nan 8.360 nan 0.000 0.454 7494 A N 1.198 123.939 122.820 -0.132 0.000 1.978 7494 A HA -0.058 4.264 4.320 0.002 0.000 0.220 7494 A C 2.435 180.003 177.584 -0.026 0.000 1.170 7494 A CA 1.918 53.888 52.037 -0.112 0.000 0.636 7494 A CB -1.036 17.857 19.000 -0.179 0.000 0.810 7494 A HN 0.463 nan 8.150 nan 0.000 0.448 7495 A N 0.536 123.370 122.820 0.023 0.000 1.835 7495 A HA -0.198 4.123 4.320 0.002 0.000 0.215 7495 A C 2.055 179.661 177.584 0.037 0.000 1.199 7495 A CA 1.982 54.058 52.037 0.064 0.000 0.615 7495 A CB -0.619 18.437 19.000 0.093 0.000 0.838 7495 A HN 0.546 nan 8.150 nan 0.000 0.444 7496 K N 0.291 120.708 120.400 0.029 0.000 2.074 7496 K HA -0.125 4.197 4.320 0.002 0.000 0.209 7496 K C 2.150 178.753 176.600 0.005 0.000 1.048 7496 K CA 1.468 57.767 56.287 0.021 0.000 0.926 7496 K CB -0.528 31.991 32.500 0.032 0.000 0.713 7496 K HN 0.444 nan 8.250 nan 0.000 0.444 7497 A N 1.466 124.284 122.820 -0.004 0.000 1.940 7497 A HA -0.174 4.147 4.320 0.002 0.000 0.219 7497 A C 2.116 179.684 177.584 -0.026 0.000 1.176 7497 A CA 1.371 53.398 52.037 -0.015 0.000 0.631 7497 A CB -0.579 18.401 19.000 -0.032 0.000 0.814 7497 A HN 0.248 nan 8.150 nan 0.000 0.446 7498 L N -0.077 121.130 121.223 -0.027 0.000 1.937 7498 L HA -0.119 4.223 4.340 0.002 0.000 0.213 7498 L C 2.481 179.315 176.870 -0.060 0.000 1.077 7498 L CA 3.033 57.843 54.840 -0.051 0.000 0.758 7498 L CB -1.534 40.510 42.059 -0.026 0.000 0.888 7498 L HN 0.444 nan 8.230 nan 0.000 0.433 7499 T N -0.228 114.300 114.554 -0.043 0.000 2.602 7499 T HA -0.284 4.067 4.350 0.002 0.000 0.264 7499 T C 1.506 176.174 174.700 -0.053 0.000 1.085 7499 T CA 2.127 64.192 62.100 -0.059 0.000 1.164 7499 T CB -1.018 67.830 68.868 -0.033 0.000 0.860 7499 T HN 0.488 nan 8.240 nan 0.000 0.442 7500 S N 1.271 116.952 115.700 -0.031 0.000 2.981 7500 S HA 0.047 4.519 4.470 0.002 0.000 0.235 7500 S C 1.374 175.958 174.600 -0.027 0.000 0.983 7500 S CA 0.151 58.337 58.200 -0.023 0.000 1.051 7500 S CB -0.153 63.043 63.200 -0.008 0.000 0.814 7500 S HN 0.349 nan 8.310 nan 0.000 0.518 7501 Q N -0.036 119.739 119.800 -0.043 0.000 2.246 7501 Q HA 0.310 4.651 4.340 0.002 0.000 0.222 7501 Q C 0.370 176.343 176.000 -0.045 0.000 0.851 7501 Q CA -0.137 55.640 55.803 -0.043 0.000 0.945 7501 Q CB 0.192 28.895 28.738 -0.059 0.000 1.122 7501 Q HN 0.364 nan 8.270 nan 0.000 0.508 7502 L N 0.979 122.170 121.223 -0.053 0.000 2.464 7502 L HA 0.266 4.608 4.340 0.002 0.000 0.224 7502 L C 0.925 177.774 176.870 -0.035 0.000 1.219 7502 L CA 0.709 55.518 54.840 -0.052 0.000 0.831 7502 L CB 0.195 42.212 42.059 -0.069 0.000 1.284 7502 L HN 0.186 nan 8.230 nan 0.000 0.522 7503 T N -4.126 110.409 114.554 -0.032 0.000 2.868 7503 T HA 0.322 4.673 4.350 0.002 0.000 0.306 7503 T C 0.319 175.004 174.700 -0.026 0.000 1.224 7503 T CA -0.716 61.371 62.100 -0.023 0.000 1.012 7503 T CB 1.227 70.086 68.868 -0.015 0.000 1.221 7503 T HN 0.474 nan 8.240 nan 0.000 0.499 7504 D N 0.876 121.263 120.400 -0.021 0.000 2.178 7504 D HA -0.080 4.562 4.640 0.002 0.000 0.201 7504 D C 1.505 177.791 176.300 -0.024 0.000 0.980 7504 D CA 1.381 55.367 54.000 -0.023 0.000 0.842 7504 D CB 0.156 40.946 40.800 -0.017 0.000 0.948 7504 D HN 0.697 nan 8.370 nan 0.000 0.472 7505 E N 1.459 121.649 120.200 -0.017 0.000 2.007 7505 E HA -0.151 4.200 4.350 0.002 0.000 0.194 7505 E C 2.065 178.655 176.600 -0.017 0.000 0.999 7505 E CA 0.902 57.294 56.400 -0.013 0.000 0.811 7505 E CB -0.355 29.342 29.700 -0.005 0.000 0.762 7505 E HN 0.305 nan 8.360 nan 0.000 0.450 7506 E N 0.043 120.233 120.200 -0.017 0.000 2.160 7506 E HA -0.181 4.170 4.350 0.002 0.000 0.195 7506 E C 1.769 178.346 176.600 -0.039 0.000 0.991 7506 E CA 0.558 56.947 56.400 -0.018 0.000 0.810 7506 E CB -0.047 29.643 29.700 -0.017 0.000 0.742 7506 E HN 0.036 nan 8.360 nan 0.000 0.466 7507 L N 0.432 121.628 121.223 -0.046 0.000 2.046 7507 L HA -0.146 4.196 4.340 0.002 0.000 0.208 7507 L C 2.165 178.989 176.870 -0.077 0.000 1.077 7507 L CA 1.857 56.660 54.840 -0.062 0.000 0.747 7507 L CB -1.388 40.640 42.059 -0.051 0.000 0.896 7507 L HN 0.103 nan 8.230 nan 0.000 0.432 7508 A N -0.713 122.070 122.820 -0.061 0.000 1.829 7508 A HA -0.288 4.034 4.320 0.002 0.000 0.216 7508 A C 2.037 179.562 177.584 -0.098 0.000 1.207 7508 A CA 1.910 53.906 52.037 -0.069 0.000 0.622 7508 A CB -0.759 18.220 19.000 -0.035 0.000 0.846 7508 A HN 0.555 nan 8.150 nan 0.000 0.447 7509 Q N -1.786 117.982 119.800 -0.053 0.000 2.124 7509 Q HA -0.190 4.151 4.340 0.002 0.000 0.215 7509 Q C 1.439 177.357 176.000 -0.136 0.000 1.015 7509 Q CA 1.749 57.530 55.803 -0.036 0.000 0.890 7509 Q CB -0.451 28.291 28.738 0.008 0.000 0.966 7509 Q HN 1.277 nan 8.270 nan 0.000 0.412 7510 G N 0.171 108.889 108.800 -0.137 0.000 2.234 7510 G HA2 -0.163 3.799 3.960 0.002 0.000 0.153 7510 G HA3 -0.163 3.799 3.960 0.002 0.000 0.153 7510 G C -0.492 174.362 174.900 -0.076 0.000 1.013 7510 G CA -0.238 44.747 45.100 -0.190 0.000 0.712 7510 G HN 0.269 nan 8.290 nan 0.000 0.491 7511 R N 0.328 120.807 120.500 -0.036 0.000 2.298 7511 R HA 0.625 4.966 4.340 0.002 0.000 0.310 7511 R C 0.600 176.844 176.300 -0.094 0.000 1.068 7511 R CA -0.505 55.588 56.100 -0.013 0.000 0.957 7511 R CB 0.753 31.076 30.300 0.038 0.000 1.003 7511 R HN 0.042 nan 8.270 nan 0.000 0.454 7512 L N 2.651 123.760 121.223 -0.191 0.000 2.653 7512 L HA 0.266 4.607 4.340 0.002 0.000 0.231 7512 L C -0.627 175.795 176.870 -0.746 0.000 1.153 7512 L CA 0.106 54.703 54.840 -0.405 0.000 0.933 7512 L CB -0.683 41.112 42.059 -0.439 0.000 1.175 7512 L HN 0.610 nan 8.230 nan 0.000 0.473 7513 Y N -0.112 120.160 120.300 -0.048 0.000 2.396 7513 Y HA 0.438 4.989 4.550 0.002 0.000 0.332 7513 Y C -2.177 173.662 175.900 -0.102 0.000 1.034 7513 Y CA -2.513 55.504 58.100 -0.139 0.000 1.057 7513 Y CB 1.772 40.233 38.460 0.002 0.000 1.220 7513 Y HN -0.131 nan 8.280 nan 0.000 0.440 7514 P HA 0.024 nan 4.420 nan 0.000 0.267 7514 P C -2.613 174.774 177.300 0.145 0.000 1.200 7514 P CA -1.155 61.948 63.100 0.004 0.000 0.772 7514 P CB 0.010 31.674 31.700 -0.059 0.000 0.855 7515 P HA -0.025 nan 4.420 nan 0.000 0.258 7515 P C 0.916 178.322 177.300 0.176 0.000 1.172 7515 P CA 0.184 63.368 63.100 0.140 0.000 0.762 7515 P CB 0.302 32.054 31.700 0.086 0.000 0.764 7516 L N 3.731 125.067 121.223 0.187 0.000 2.450 7516 L HA -0.163 4.178 4.340 0.002 0.000 0.224 7516 L C 2.525 179.446 176.870 0.085 0.000 1.149 7516 L CA 1.589 56.513 54.840 0.141 0.000 0.816 7516 L CB -1.016 41.069 42.059 0.044 0.000 0.932 7516 L HN 0.414 nan 8.230 nan 0.000 0.449 7517 A N 0.550 123.416 122.820 0.077 0.000 2.009 7517 A HA -0.237 4.085 4.320 0.002 0.000 0.222 7517 A C 0.757 178.366 177.584 0.042 0.000 1.175 7517 A CA 2.116 54.183 52.037 0.050 0.000 0.651 7517 A CB -0.923 18.105 19.000 0.046 0.000 0.815 7517 A HN 0.689 nan 8.150 nan 0.000 0.459 7518 N N -1.738 116.996 118.700 0.056 0.000 2.750 7518 N HA 0.427 5.169 4.740 0.002 0.000 0.253 7518 N C -0.239 175.309 175.510 0.063 0.000 1.408 7518 N CA -0.351 52.725 53.050 0.044 0.000 0.780 7518 N CB 0.802 39.308 38.487 0.032 0.000 1.191 7518 N HN 0.152 nan 8.380 nan 0.000 0.511 7519 I N -0.035 120.570 120.570 0.059 0.000 3.728 7519 I HA 0.049 4.220 4.170 0.002 0.000 0.307 7519 I C 1.460 177.591 176.117 0.023 0.000 1.276 7519 I CA 0.734 62.076 61.300 0.069 0.000 1.285 7519 I CB 0.037 38.055 38.000 0.030 0.000 1.038 7519 I HN 0.364 nan 8.210 nan 0.000 0.445 7520 Q N 1.144 120.953 119.800 0.015 0.000 1.890 7520 Q HA -0.211 4.130 4.340 0.002 0.000 0.208 7520 Q C 1.871 177.868 176.000 -0.005 0.000 0.982 7520 Q CA 1.959 57.763 55.803 0.002 0.000 0.856 7520 Q CB -0.751 27.989 28.738 0.003 0.000 0.915 7520 Q HN 0.686 nan 8.270 nan 0.000 0.427 7521 E N 1.262 121.462 120.200 -0.001 0.000 2.048 7521 E HA -0.219 4.132 4.350 0.002 0.000 0.202 7521 E C 2.179 178.775 176.600 -0.006 0.000 1.021 7521 E CA 1.921 58.318 56.400 -0.005 0.000 0.825 7521 E CB -0.821 28.878 29.700 -0.001 0.000 0.756 7521 E HN 0.078 nan 8.360 nan 0.000 0.454 7522 V N 1.287 121.204 119.914 0.006 0.000 2.280 7522 V HA -0.372 3.749 4.120 0.002 0.000 0.258 7522 V C 2.591 178.676 176.094 -0.015 0.000 1.081 7522 V CA 2.387 64.689 62.300 0.004 0.000 1.070 7522 V CB -0.657 31.192 31.823 0.043 0.000 0.666 7522 V HN 0.371 nan 8.190 nan 0.000 0.450 7523 S N -1.199 114.488 115.700 -0.023 0.000 2.362 7523 S HA 0.043 4.514 4.470 0.002 0.000 0.221 7523 S C 1.785 176.348 174.600 -0.063 0.000 1.032 7523 S CA 1.196 59.360 58.200 -0.061 0.000 0.973 7523 S CB -0.201 62.942 63.200 -0.096 0.000 0.849 7523 S HN 0.503 nan 8.310 nan 0.000 0.465 7524 I N 2.340 122.882 120.570 -0.046 0.000 2.113 7524 I HA -0.301 3.871 4.170 0.002 0.000 0.242 7524 I C 2.426 178.522 176.117 -0.036 0.000 1.064 7524 I CA 1.154 62.429 61.300 -0.041 0.000 1.320 7524 I CB -0.499 37.485 38.000 -0.028 0.000 1.028 7524 I HN 0.341 nan 8.210 nan 0.000 0.406 7525 N N 0.952 119.636 118.700 -0.027 0.000 2.025 7525 N HA -0.195 4.547 4.740 0.002 0.000 0.194 7525 N C 1.948 177.441 175.510 -0.028 0.000 1.044 7525 N CA 1.683 54.721 53.050 -0.019 0.000 0.851 7525 N CB -0.127 38.350 38.487 -0.016 0.000 1.036 7525 N HN 0.272 nan 8.380 nan 0.000 0.422 7526 I N 1.477 122.021 120.570 -0.043 0.000 2.248 7526 I HA -0.276 3.896 4.170 0.002 0.000 0.248 7526 I C 2.443 178.516 176.117 -0.072 0.000 1.107 7526 I CA 0.918 62.183 61.300 -0.060 0.000 1.373 7526 I CB -1.127 36.827 38.000 -0.077 0.000 1.055 7526 I HN 0.091 nan 8.210 nan 0.000 0.418 7527 A N 2.078 124.854 122.820 -0.073 0.000 1.828 7527 A HA -0.173 4.148 4.320 0.002 0.000 0.215 7527 A C 2.305 179.865 177.584 -0.039 0.000 1.203 7527 A CA 1.525 53.516 52.037 -0.076 0.000 0.614 7527 A CB -0.852 18.102 19.000 -0.076 0.000 0.844 7527 A HN 0.297 nan 8.150 nan 0.000 0.445 7528 I N -0.468 120.094 120.570 -0.013 0.000 2.093 7528 I HA -0.368 3.804 4.170 0.002 0.000 0.239 7528 I C 2.375 178.516 176.117 0.040 0.000 1.026 7528 I CA 2.073 63.390 61.300 0.029 0.000 1.295 7528 I CB -0.937 37.083 38.000 0.034 0.000 1.007 7528 I HN 0.247 nan 8.210 nan 0.000 0.401 7529 K N 0.752 121.166 120.400 0.023 0.000 2.160 7529 K HA -0.137 4.184 4.320 0.002 0.000 0.206 7529 K C 2.099 178.720 176.600 0.035 0.000 1.047 7529 K CA 0.984 57.292 56.287 0.035 0.000 0.930 7529 K CB -0.826 31.683 32.500 0.015 0.000 0.720 7529 K HN 0.291 nan 8.250 nan 0.000 0.450 7530 V N 1.125 121.026 119.914 -0.021 0.000 2.244 7530 V HA -0.266 3.856 4.120 0.002 0.000 0.244 7530 V C 2.700 178.789 176.094 -0.009 0.000 1.042 7530 V CA 2.360 64.616 62.300 -0.073 0.000 1.006 7530 V CB -1.063 30.669 31.823 -0.153 0.000 0.641 7530 V HN 0.552 nan 8.190 nan 0.000 0.446 7531 T N -0.700 113.853 114.554 -0.002 0.000 2.544 7531 T HA -0.344 4.007 4.350 0.002 0.000 0.264 7531 T C 1.613 176.379 174.700 0.110 0.000 1.096 7531 T CA 2.247 64.354 62.100 0.011 0.000 1.181 7531 T CB -0.724 68.183 68.868 0.065 0.000 0.864 7531 T HN 0.606 nan 8.240 nan 0.000 0.415 7532 E N 0.392 120.696 120.200 0.173 0.000 2.154 7532 E HA -0.337 4.014 4.350 0.002 0.000 0.240 7532 E C 1.767 178.508 176.600 0.236 0.000 1.059 7532 E CA 2.336 58.866 56.400 0.216 0.000 0.954 7532 E CB -0.764 29.030 29.700 0.156 0.000 0.842 7532 E HN 0.770 nan 8.360 nan 0.000 0.508 7533 Y N 1.426 121.758 120.300 0.053 0.000 2.133 7533 Y HA -0.334 4.217 4.550 0.002 0.000 0.279 7533 Y C 2.146 178.070 175.900 0.041 0.000 1.209 7533 Y CA 1.617 59.739 58.100 0.038 0.000 1.152 7533 Y CB -0.219 38.245 38.460 0.007 0.000 0.961 7533 Y HN 0.049 nan 8.280 nan 0.000 0.512 7534 L N -1.036 120.424 121.223 0.395 0.000 1.955 7534 L HA -0.304 4.037 4.340 0.002 0.000 0.213 7534 L C 2.327 179.292 176.870 0.160 0.000 1.072 7534 L CA 2.002 56.980 54.840 0.230 0.000 0.755 7534 L CB -1.145 40.922 42.059 0.013 0.000 0.888 7534 L HN 0.328 nan 8.230 nan 0.000 0.432 7535 Y N -0.197 120.167 120.300 0.106 0.000 2.014 7535 Y HA -0.407 4.144 4.550 0.002 0.000 0.272 7535 Y C 2.720 178.644 175.900 0.039 0.000 1.164 7535 Y CA 1.172 59.319 58.100 0.078 0.000 1.114 7535 Y CB -0.489 38.011 38.460 0.067 0.000 0.961 7535 Y HN 0.257 nan 8.280 nan 0.000 0.489 7536 A N 0.609 123.554 122.820 0.209 0.000 1.894 7536 A HA -0.327 3.994 4.320 0.002 0.000 0.220 7536 A C 1.740 179.318 177.584 -0.009 0.000 1.237 7536 A CA 2.395 54.463 52.037 0.052 0.000 0.660 7536 A CB -1.220 17.771 19.000 -0.015 0.000 0.835 7536 A HN 0.645 nan 8.150 nan 0.000 0.461 7537 N N 0.016 118.670 118.700 -0.077 0.000 2.567 7537 N HA -0.033 4.709 4.740 0.002 0.000 0.195 7537 N C -0.530 175.000 175.510 0.032 0.000 1.242 7537 N CA 0.373 53.364 53.050 -0.100 0.000 0.884 7537 N CB -0.041 38.304 38.487 -0.236 0.000 1.007 7537 N HN 0.301 nan 8.380 nan 0.000 0.450 7541 F N 1.082 121.032 119.950 -0.000 0.000 2.717 7541 F HA 0.138 4.666 4.527 0.002 0.000 0.295 7541 F C 1.745 177.565 175.800 0.033 0.000 1.117 7541 F CA -0.464 57.537 58.000 0.000 0.000 1.361 7541 F CB 0.305 39.292 39.000 -0.022 0.000 1.112 7541 F HN 0.630 nan 8.300 nan 0.000 0.594 7542 R N 1.978 122.648 120.500 0.284 0.000 2.802 7542 R HA -0.093 4.248 4.340 0.002 0.000 0.264 7542 R C -1.330 175.243 176.300 0.456 0.000 0.996 7542 R CA 0.929 57.224 56.100 0.324 0.000 1.123 7542 R CB 0.302 30.769 30.300 0.277 0.000 0.996 7542 R HN 0.243 nan 8.270 nan 0.000 0.444 7543 Y N 0.097 120.503 120.300 0.176 0.000 2.638 7543 Y HA 0.453 5.005 4.550 0.002 0.000 0.334 7543 Y C -3.047 172.891 175.900 0.062 0.000 1.182 7543 Y CA -2.966 55.203 58.100 0.114 0.000 1.102 7543 Y CB -0.074 38.440 38.460 0.090 0.000 1.343 7543 Y HN 0.543 nan 8.280 nan 0.000 0.463 7544 P HA 0.208 nan 4.420 nan 0.000 0.275 7544 P C -0.800 176.492 177.300 -0.013 0.000 1.228 7544 P CA -0.289 62.819 63.100 0.014 0.000 0.786 7544 P CB 1.283 32.927 31.700 -0.093 0.000 0.927 7545 E N 3.668 123.819 120.200 -0.081 0.000 2.328 7545 E HA 0.099 4.450 4.350 0.002 0.000 0.265 7545 E C -1.595 174.798 176.600 -0.346 0.000 1.057 7545 E CA -1.483 54.659 56.400 -0.430 0.000 0.916 7545 E CB 0.077 29.367 29.700 -0.684 0.000 0.993 7545 E HN 0.294 nan 8.360 nan 0.000 0.446 7546 P HA 0.022 nan 4.420 nan 0.000 0.286 7546 P C 0.069 177.263 177.300 -0.177 0.000 1.293 7546 P CA -0.182 62.773 63.100 -0.241 0.000 0.770 7546 P CB 0.940 32.455 31.700 -0.308 0.000 1.206 7547 E N -0.511 119.631 120.200 -0.097 0.000 2.075 7547 E HA -0.068 4.284 4.350 0.002 0.000 0.193 7547 E C -0.065 176.526 176.600 -0.015 0.000 0.950 7547 E CA 0.298 56.663 56.400 -0.059 0.000 0.859 7547 E CB -0.239 29.438 29.700 -0.038 0.000 0.846 7547 E HN 0.351 nan 8.360 nan 0.000 0.467 7548 D N 1.586 121.994 120.400 0.014 0.000 2.508 7548 D HA 0.013 4.655 4.640 0.002 0.000 0.224 7548 D C 0.776 177.144 176.300 0.113 0.000 1.171 7548 D CA 0.041 54.073 54.000 0.054 0.000 1.006 7548 D CB 0.367 41.198 40.800 0.052 0.000 1.073 7548 D HN 0.063 nan 8.370 nan 0.000 0.513 7549 K N 1.830 122.310 120.400 0.133 0.000 2.147 7549 K HA -0.140 4.182 4.320 0.002 0.000 0.205 7549 K C 1.758 178.480 176.600 0.203 0.000 1.049 7549 K CA 0.949 57.379 56.287 0.238 0.000 0.936 7549 K CB -0.146 32.493 32.500 0.231 0.000 0.722 7549 K HN 0.346 nan 8.250 nan 0.000 0.446 7550 A N 2.325 125.220 122.820 0.125 0.000 1.877 7550 A HA -0.196 4.125 4.320 0.002 0.000 0.216 7550 A C 2.221 179.858 177.584 0.089 0.000 1.186 7550 A CA 1.670 53.758 52.037 0.086 0.000 0.620 7550 A CB -0.394 18.641 19.000 0.059 0.000 0.822 7550 A HN 0.241 nan 8.150 nan 0.000 0.443 7551 K N -1.990 118.471 120.400 0.103 0.000 2.057 7551 K HA -0.161 4.161 4.320 0.002 0.000 0.206 7551 K C 1.941 178.630 176.600 0.147 0.000 1.050 7551 K CA 1.444 57.791 56.287 0.100 0.000 0.935 7551 K CB -0.360 32.194 32.500 0.091 0.000 0.715 7551 K HN 0.529 nan 8.250 nan 0.000 0.439 7552 Y N 1.640 121.968 120.300 0.047 0.000 2.014 7552 Y HA -0.321 4.230 4.550 0.002 0.000 0.270 7552 Y C 1.967 177.899 175.900 0.053 0.000 1.145 7552 Y CA 1.575 59.711 58.100 0.060 0.000 1.106 7552 Y CB -0.871 37.643 38.460 0.090 0.000 0.968 7552 Y HN -0.202 nan 8.280 nan 0.000 0.484 7553 V N 1.219 121.073 119.914 -0.100 0.000 2.215 7553 V HA -0.408 3.713 4.120 0.002 0.000 0.246 7553 V C 2.256 178.278 176.094 -0.120 0.000 1.047 7553 V CA 2.804 64.982 62.300 -0.204 0.000 0.999 7553 V CB -0.932 30.849 31.823 -0.069 0.000 0.635 7553 V HN 0.394 nan 8.190 nan 0.000 0.450 7554 K N -0.426 119.951 120.400 -0.039 0.000 2.455 7554 K HA -0.295 4.027 4.320 0.002 0.000 0.200 7554 K C 1.936 178.522 176.600 -0.024 0.000 1.045 7554 K CA 1.888 58.162 56.287 -0.023 0.000 0.932 7554 K CB -0.212 32.289 32.500 0.003 0.000 0.754 7554 K HN 0.601 nan 8.250 nan 0.000 0.486 7555 E N 0.188 120.369 120.200 -0.032 0.000 2.251 7555 E HA 0.033 4.384 4.350 0.002 0.000 0.194 7555 E C 0.496 177.074 176.600 -0.037 0.000 0.964 7555 E CA 0.062 56.455 56.400 -0.012 0.000 0.868 7555 E CB 0.504 30.229 29.700 0.041 0.000 0.828 7555 E HN 0.101 nan 8.360 nan 0.000 0.481 7556 R N 1.308 121.741 120.500 -0.112 0.000 3.863 7556 R HA 0.124 4.466 4.340 0.002 0.000 0.304 7556 R C -0.770 175.488 176.300 -0.069 0.000 1.485 7556 R CA 0.008 56.042 56.100 -0.109 0.000 1.355 7556 R CB 0.609 30.765 30.300 -0.239 0.000 1.457 7556 R HN 0.008 nan 8.270 nan 0.000 0.669 7557 T N -3.450 111.091 114.554 -0.022 0.000 2.824 7557 T HA 0.211 4.563 4.350 0.002 0.000 0.282 7557 T C -0.393 174.352 174.700 0.076 0.000 0.993 7557 T CA -0.847 61.264 62.100 0.019 0.000 0.967 7557 T CB 1.418 70.282 68.868 -0.007 0.000 0.960 7557 T HN 0.294 nan 8.240 nan 0.000 0.441 7558 W N 3.178 124.434 121.300 -0.074 0.000 2.209 7558 W HA 0.488 5.149 4.660 0.003 0.000 0.344 7558 W C 0.177 176.655 176.519 -0.069 0.000 1.285 7558 W CA -0.137 57.163 57.345 -0.075 0.000 1.267 7558 W CB 0.459 29.852 29.460 -0.113 0.000 1.167 7558 W HN 0.704 nan 8.180 nan 0.000 0.574 7559 R N 1.757 121.744 120.500 -0.856 0.000 2.832 7559 R HA 0.360 4.702 4.340 0.002 0.000 0.271 7559 R C 0.583 176.054 176.300 -1.382 0.000 0.996 7559 R CA -0.264 55.359 56.100 -0.795 0.000 0.977 7559 R CB 1.622 31.661 30.300 -0.436 0.000 1.168 7559 R HN 0.422 nan 8.270 nan 0.000 0.482 7560 S N 0.151 115.341 115.700 -0.851 0.000 2.568 7560 S HA 0.199 4.671 4.470 0.002 0.000 0.232 7560 S C -0.558 173.777 174.600 -0.442 0.000 0.975 7560 S CA -0.486 57.279 58.200 -0.726 0.000 0.949 7560 S CB 0.026 62.989 63.200 -0.394 0.000 0.829 7560 S HN 0.483 nan 8.310 nan 0.000 0.479 7561 E N 1.567 121.538 120.200 -0.381 0.000 2.227 7561 E HA 0.169 4.520 4.350 0.002 0.000 0.282 7561 E C -0.786 175.748 176.600 -0.110 0.000 1.015 7561 E CA -0.696 55.546 56.400 -0.263 0.000 0.823 7561 E CB 0.539 30.126 29.700 -0.188 0.000 1.081 7561 E HN 0.536 nan 8.360 nan 0.000 0.396 7562 Y N 1.812 122.057 120.300 -0.091 0.000 2.805 7562 Y HA -0.106 4.445 4.550 0.002 0.000 0.331 7562 Y C 0.678 176.562 175.900 -0.027 0.000 1.241 7562 Y CA -0.041 58.026 58.100 -0.055 0.000 1.546 7562 Y CB 0.413 38.839 38.460 -0.058 0.000 1.248 7562 Y HN 0.335 nan 8.280 nan 0.000 0.559 7563 D N 1.399 121.902 120.400 0.172 0.000 2.340 7563 D HA 0.084 4.726 4.640 0.002 0.000 0.251 7563 D C -0.373 175.983 176.300 0.093 0.000 1.080 7563 D CA -0.470 53.594 54.000 0.107 0.000 0.971 7563 D CB 1.551 42.412 40.800 0.103 0.000 1.137 7563 D HN 0.355 nan 8.370 nan 0.000 0.475 7564 S N 0.301 116.048 115.700 0.078 0.000 2.523 7564 S HA 0.218 4.689 4.470 0.002 0.000 0.275 7564 S C 0.638 175.281 174.600 0.072 0.000 1.281 7564 S CA -0.584 57.659 58.200 0.073 0.000 1.050 7564 S CB 0.026 63.263 63.200 0.061 0.000 0.937 7564 S HN 0.339 nan 8.310 nan 0.000 0.492 7565 L N 5.163 126.433 121.223 0.079 0.000 2.791 7565 L HA 0.375 4.717 4.340 0.002 0.000 0.239 7565 L C 0.055 176.943 176.870 0.030 0.000 1.203 7565 L CA -0.137 54.742 54.840 0.066 0.000 1.002 7565 L CB -0.244 41.874 42.059 0.098 0.000 1.295 7565 L HN 0.452 nan 8.230 nan 0.000 0.504 7566 L N 2.266 123.507 121.223 0.031 0.000 2.375 7566 L HA 0.399 4.740 4.340 0.002 0.000 0.271 7566 L C -1.665 175.208 176.870 0.005 0.000 1.107 7566 L CA -1.577 53.269 54.840 0.010 0.000 0.806 7566 L CB 1.490 43.559 42.059 0.016 0.000 1.146 7566 L HN -0.012 nan 8.230 nan 0.000 0.447 7567 P HA 0.072 nan 4.420 nan 0.000 0.279 7567 P C -0.981 176.304 177.300 -0.026 0.000 1.239 7567 P CA -0.504 62.580 63.100 -0.027 0.000 0.789 7567 P CB 0.859 32.527 31.700 -0.054 0.000 0.933 7568 D N 2.303 122.697 120.400 -0.010 0.000 2.359 7568 D HA 0.109 4.750 4.640 0.002 0.000 0.273 7568 D C -0.478 175.769 176.300 -0.089 0.000 1.362 7568 D CA 0.339 54.354 54.000 0.026 0.000 1.010 7568 D CB -0.165 40.693 40.800 0.097 0.000 1.090 7568 D HN -0.034 nan 8.370 nan 0.000 0.521 7569 V N 5.031 124.891 119.914 -0.089 0.000 2.581 7569 V HA 0.579 4.700 4.120 0.002 0.000 0.303 7569 V C -0.594 175.443 176.094 -0.096 0.000 1.041 7569 V CA -0.692 61.456 62.300 -0.252 0.000 0.907 7569 V CB 1.479 33.203 31.823 -0.165 0.000 0.994 7569 V HN 0.398 nan 8.190 nan 0.000 0.442 7570 Y N 0.500 120.770 120.300 -0.050 0.000 2.565 7570 Y HA 0.609 5.160 4.550 0.002 0.000 0.330 7570 Y C -0.455 175.455 175.900 0.016 0.000 1.150 7570 Y CA -1.996 56.105 58.100 0.002 0.000 1.055 7570 Y CB 0.643 39.127 38.460 0.040 0.000 1.337 7570 Y HN 0.794 nan 8.280 nan 0.000 0.457 7571 E N 1.151 121.526 120.200 0.291 0.000 2.413 7571 E HA 0.158 4.509 4.350 0.002 0.000 0.263 7571 E C -1.520 175.362 176.600 0.470 0.000 1.015 7571 E CA -0.042 56.512 56.400 0.257 0.000 0.916 7571 E CB 0.651 30.459 29.700 0.179 0.000 0.947 7571 E HN 0.600 nan 8.360 nan 0.000 0.440 7572 W N 4.612 125.992 121.300 0.133 0.000 2.318 7572 W HA 0.368 5.029 4.660 0.002 0.000 0.315 7572 W C -2.021 174.540 176.519 0.070 0.000 1.033 7572 W CA -2.477 54.944 57.345 0.125 0.000 1.275 7572 W CB 0.564 30.088 29.460 0.106 0.000 1.250 7572 W HN 0.659 nan 8.180 nan 0.000 0.421 7573 P HA 0.000 nan 4.420 nan 0.000 0.216 7573 P CA 0.000 63.133 63.100 0.055 0.000 0.800 7573 P CB 0.000 31.705 31.700 0.008 0.000 0.726