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 2r5j_1_B DATA FIRST_RESID 20 DATA SEQUENCE AVVSTDEYVT RTNIYYHAGS SRLLAVGHPY YAIKKQDSNK IAVPKVSGLQ DATA SEQUENCE YRVFRVKLPD PNKFGFPDTS FYDPASQRLV WACTGVEVGR GQPLGVGISG DATA SEQUENCE HPLLNKLDDT ENSNKYVGNS GTDNRECISM DYKQTQLCLI GCRPPIGEHW DATA SEQUENCE GKGTPSNANQ VKAGECPPLE LLNTVLQDGD MVDTGFGAMD FTTLQANKSD DATA SEQUENCE VPLDICSSIC KYPDYLKMVS EPYGDMLFFY LRREQMFVRH LFNRAGTVGE DATA SEQUENCE TVPADLYIKG TTGTLPSTSY FPTPSGSMVT SDAQIFNKPY WLQRAQGHNN DATA SEQUENCE GICWSNQLFV TVVDTTRSTN MSVCSAVSSS DSTYKNDNFK EYLRHGEEYD DATA SEQUENCE LQFIFQLCKI TLTADVMTYI HSMNPSILED WNXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX PLKNYTFWEV DLKEKFSADL DQFPLGRKFL DATA SEQUENCE LQAGL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.600 177.584 0.026 0.000 1.274 20 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 20 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 21 V N 1.592 121.444 119.914 -0.104 0.000 2.963 21 V HA 0.507 4.628 4.120 0.001 0.000 0.306 21 V C 0.340 176.382 176.094 -0.087 0.000 1.077 21 V CA 0.115 62.334 62.300 -0.136 0.000 1.124 21 V CB 1.357 32.815 31.823 -0.609 0.000 0.987 21 V HN 0.940 nan 8.190 nan 0.000 0.487 22 V N 1.677 121.659 119.914 0.114 0.000 3.087 22 V HA 0.356 4.476 4.120 0.001 0.000 0.306 22 V C -0.079 176.287 176.094 0.454 0.000 1.187 22 V CA -0.745 61.668 62.300 0.188 0.000 0.999 22 V CB 2.070 33.912 31.823 0.032 0.000 1.049 22 V HN 0.860 nan 8.190 nan 0.000 0.431 23 S N 1.267 117.246 115.700 0.465 0.000 2.558 23 S HA 0.017 4.487 4.470 0.001 0.000 0.291 23 S C 1.582 176.357 174.600 0.291 0.000 1.306 23 S CA 0.536 58.958 58.200 0.370 0.000 1.056 23 S CB 0.819 64.149 63.200 0.215 0.000 0.836 23 S HN 1.321 nan 8.310 nan 0.000 0.504 24 T N 1.170 115.812 114.554 0.146 0.000 3.051 24 T HA -0.055 4.296 4.350 0.001 0.000 0.269 24 T C 0.772 175.308 174.700 -0.274 0.000 1.127 24 T CA 1.135 63.038 62.100 -0.328 0.000 1.107 24 T CB -0.366 68.406 68.868 -0.160 0.000 0.898 24 T HN 0.624 nan 8.240 nan 0.000 0.517 25 D N 1.410 121.780 120.400 -0.051 0.000 2.350 25 D HA -0.021 4.619 4.640 0.001 0.000 0.216 25 D C 1.992 178.305 176.300 0.021 0.000 0.968 25 D CA 0.559 54.549 54.000 -0.017 0.000 0.894 25 D CB -0.066 40.748 40.800 0.023 0.000 0.909 25 D HN 0.517 nan 8.370 nan 0.000 0.520 26 E N -0.478 119.768 120.200 0.077 0.000 2.340 26 E HA -0.014 4.337 4.350 0.001 0.000 0.194 26 E C 0.798 177.566 176.600 0.280 0.000 0.996 26 E CA 0.308 56.814 56.400 0.177 0.000 0.869 26 E CB 0.224 30.045 29.700 0.201 0.000 0.835 26 E HN 0.604 nan 8.360 nan 0.000 0.493 27 Y N -2.374 117.986 120.300 0.100 0.000 2.767 27 Y HA 0.476 5.026 4.550 0.001 0.000 0.254 27 Y C -0.050 175.942 175.900 0.154 0.000 1.133 27 Y CA -0.590 57.581 58.100 0.119 0.000 1.225 27 Y CB 0.332 38.877 38.460 0.142 0.000 1.312 27 Y HN -0.332 nan 8.280 nan 0.000 0.560 28 V N 1.534 121.425 119.914 -0.038 0.000 2.447 28 V HA 0.368 4.489 4.120 0.001 0.000 0.292 28 V C -0.150 175.920 176.094 -0.040 0.000 1.021 28 V CA -0.559 61.713 62.300 -0.048 0.000 0.850 28 V CB 1.459 33.191 31.823 -0.151 0.000 1.005 28 V HN 0.327 nan 8.190 nan 0.000 0.426 29 T N 5.370 119.912 114.554 -0.019 0.000 2.909 29 T HA 0.501 4.851 4.350 0.001 0.000 0.286 29 T C 0.187 174.846 174.700 -0.068 0.000 1.002 29 T CA -0.528 61.554 62.100 -0.029 0.000 1.074 29 T CB 0.990 69.851 68.868 -0.013 0.000 0.984 29 T HN 0.432 nan 8.240 nan 0.000 0.495 30 R N 1.252 121.714 120.500 -0.063 0.000 2.691 30 R HA 0.709 5.049 4.340 0.001 0.000 0.259 30 R C 0.248 176.495 176.300 -0.087 0.000 1.048 30 R CA -0.530 55.520 56.100 -0.085 0.000 1.086 30 R CB 1.496 31.766 30.300 -0.050 0.000 1.166 30 R HN 0.870 nan 8.270 nan 0.000 0.526 31 T N -3.046 111.435 114.554 -0.122 0.000 2.896 31 T HA 0.272 4.622 4.350 0.001 0.000 0.297 31 T C 0.188 174.820 174.700 -0.112 0.000 1.108 31 T CA -0.844 61.203 62.100 -0.089 0.000 1.004 31 T CB 1.240 70.041 68.868 -0.112 0.000 1.159 31 T HN 0.516 nan 8.240 nan 0.000 0.499 32 N N 0.601 119.294 118.700 -0.011 0.000 2.530 32 N HA 0.131 4.872 4.740 0.001 0.000 0.216 32 N C -0.469 175.086 175.510 0.074 0.000 1.315 32 N CA -0.144 52.955 53.050 0.082 0.000 0.858 32 N CB -0.231 38.351 38.487 0.158 0.000 1.138 32 N HN 0.415 nan 8.380 nan 0.000 0.473 33 I N 1.414 121.910 120.570 -0.122 0.000 2.355 33 I HA 0.249 4.420 4.170 0.001 0.000 0.288 33 I C -0.445 175.634 176.117 -0.063 0.000 0.999 33 I CA -0.969 60.346 61.300 0.026 0.000 1.163 33 I CB -0.342 37.710 38.000 0.086 0.000 1.316 33 I HN -0.030 nan 8.210 nan 0.000 0.454 34 Y N 5.707 126.172 120.300 0.276 0.000 2.509 34 Y HA 0.649 5.199 4.550 0.001 0.000 0.341 34 Y C -0.725 175.284 175.900 0.182 0.000 1.038 34 Y CA -0.722 57.492 58.100 0.190 0.000 1.089 34 Y CB 2.096 40.545 38.460 -0.020 0.000 1.241 34 Y HN 0.334 nan 8.280 nan 0.000 0.468 35 Y N 0.548 120.879 120.300 0.052 0.000 2.479 35 Y HA 0.251 4.802 4.550 0.001 0.000 0.338 35 Y C -0.428 175.266 175.900 -0.342 0.000 1.055 35 Y CA -1.265 56.787 58.100 -0.080 0.000 1.023 35 Y CB 1.385 39.736 38.460 -0.183 0.000 1.287 35 Y HN 0.608 nan 8.280 nan 0.000 0.447 36 H N 2.158 121.034 119.070 -0.323 0.000 2.488 36 H HA 0.887 5.444 4.556 0.001 0.000 0.347 36 H C -1.269 173.716 175.328 -0.572 0.000 1.174 36 H CA -0.053 55.676 56.048 -0.532 0.000 1.307 36 H CB 1.619 30.856 29.762 -0.875 0.000 1.517 36 H HN 0.849 nan 8.280 nan 0.000 0.554 37 A N 1.576 124.075 122.820 -0.534 0.000 2.606 37 A HA 0.666 4.986 4.320 0.001 0.000 0.293 37 A C -0.927 176.754 177.584 0.162 0.000 1.082 37 A CA -0.059 51.937 52.037 -0.068 0.000 0.685 37 A CB 1.789 20.652 19.000 -0.228 0.000 1.284 37 A HN 0.903 nan 8.150 nan 0.000 0.408 38 G N 0.196 109.163 108.800 0.278 0.000 2.755 38 G HA2 0.630 4.591 3.960 0.001 0.000 0.297 38 G HA3 0.630 4.591 3.960 0.001 0.000 0.297 38 G C -0.497 174.523 174.900 0.200 0.000 1.441 38 G CA 0.261 45.507 45.100 0.244 0.000 0.964 38 G HN 1.586 nan 8.290 nan 0.000 0.540 39 S N 0.616 116.396 115.700 0.135 0.000 2.601 39 S HA 0.687 5.158 4.470 0.001 0.000 0.271 39 S C 1.026 175.662 174.600 0.059 0.000 1.305 39 S CA 0.041 58.289 58.200 0.081 0.000 1.022 39 S CB 1.327 64.523 63.200 -0.006 0.000 0.940 39 S HN 1.571 nan 8.310 nan 0.000 0.525 40 S N 1.431 117.174 115.700 0.072 0.000 2.617 40 S HA 0.225 4.696 4.470 0.001 0.000 0.255 40 S C 0.327 174.955 174.600 0.047 0.000 1.318 40 S CA -0.940 57.300 58.200 0.068 0.000 0.978 40 S CB 0.029 63.276 63.200 0.080 0.000 0.961 40 S HN 0.912 nan 8.310 nan 0.000 0.582 41 R N 0.165 120.694 120.500 0.050 0.000 2.502 41 R HA 0.115 4.455 4.340 0.001 0.000 0.292 41 R C -0.920 175.440 176.300 0.099 0.000 0.998 41 R CA 0.057 56.187 56.100 0.050 0.000 1.056 41 R CB -0.435 29.896 30.300 0.053 0.000 0.939 41 R HN 0.619 nan 8.270 nan 0.000 0.411 42 L N 6.836 128.119 121.223 0.099 0.000 2.272 42 L HA 0.393 4.733 4.340 0.001 0.000 0.289 42 L C -0.269 176.821 176.870 0.366 0.000 1.032 42 L CA -0.564 54.415 54.840 0.233 0.000 0.810 42 L CB 1.156 43.180 42.059 -0.058 0.000 1.205 42 L HN 0.568 nan 8.230 nan 0.000 0.422 43 L N 2.912 124.421 121.223 0.476 0.000 2.303 43 L HA 0.941 5.282 4.340 0.001 0.000 0.266 43 L C -0.309 176.832 176.870 0.453 0.000 1.011 43 L CA -0.595 54.477 54.840 0.387 0.000 0.818 43 L CB 2.198 44.385 42.059 0.214 0.000 1.326 43 L HN 0.701 nan 8.230 nan 0.000 0.435 44 A N 1.322 124.343 122.820 0.335 0.000 2.517 44 A HA 0.792 5.113 4.320 0.001 0.000 0.297 44 A C -1.648 176.009 177.584 0.121 0.000 1.050 44 A CA -0.449 51.700 52.037 0.186 0.000 0.694 44 A CB 1.846 20.984 19.000 0.230 0.000 1.277 44 A HN 0.307 nan 8.150 nan 0.000 0.400 45 V N 1.498 121.451 119.914 0.064 0.000 2.577 45 V HA 0.905 5.026 4.120 0.001 0.000 0.303 45 V C 0.592 176.714 176.094 0.047 0.000 1.042 45 V CA 0.450 62.789 62.300 0.064 0.000 0.872 45 V CB 1.212 33.070 31.823 0.059 0.000 0.998 45 V HN 1.786 nan 8.190 nan 0.000 0.423 46 G N 2.245 111.079 108.800 0.057 0.000 2.635 46 G HA2 0.303 4.263 3.960 0.001 0.000 0.194 46 G HA3 0.303 4.263 3.960 0.001 0.000 0.194 46 G C -1.451 173.487 174.900 0.064 0.000 1.198 46 G CA -0.461 44.679 45.100 0.066 0.000 0.972 46 G HN 0.640 nan 8.290 nan 0.000 0.520 47 H N 2.189 121.255 119.070 -0.007 0.000 2.467 47 H HA 0.454 5.011 4.556 0.001 0.000 0.331 47 H C -1.568 173.701 175.328 -0.098 0.000 1.120 47 H CA -1.577 54.415 56.048 -0.093 0.000 1.270 47 H CB 2.677 32.375 29.762 -0.107 0.000 1.466 47 H HN 0.173 nan 8.280 nan 0.000 0.504 48 P HA -0.014 nan 4.420 nan 0.000 0.245 48 P C 0.386 177.858 177.300 0.287 0.000 1.203 48 P CA 0.914 64.019 63.100 0.009 0.000 0.792 48 P CB 0.468 32.047 31.700 -0.201 0.000 0.997 49 Y N -0.626 119.803 120.300 0.215 0.000 2.594 49 Y HA 0.170 4.720 4.550 0.001 0.000 0.283 49 Y C 0.954 176.860 175.900 0.010 0.000 1.140 49 Y CA -0.723 57.389 58.100 0.021 0.000 1.261 49 Y CB 0.233 38.616 38.460 -0.129 0.000 1.358 49 Y HN -0.135 nan 8.280 nan 0.000 0.513 50 Y N -1.101 119.263 120.300 0.108 0.000 2.597 50 Y HA 0.819 5.369 4.550 0.001 0.000 0.340 50 Y C -0.736 175.104 175.900 -0.101 0.000 1.097 50 Y CA -3.073 55.003 58.100 -0.040 0.000 1.037 50 Y CB 0.374 38.775 38.460 -0.099 0.000 1.305 50 Y HN -0.067 nan 8.280 nan 0.000 0.463 51 A N 2.118 125.077 122.820 0.231 0.000 2.440 51 A HA 0.569 4.889 4.320 0.001 0.000 0.251 51 A C -0.618 177.048 177.584 0.138 0.000 1.089 51 A CA -0.298 51.823 52.037 0.140 0.000 0.779 51 A CB -0.495 18.550 19.000 0.076 0.000 1.022 51 A HN 0.659 nan 8.150 nan 0.000 0.492 52 I N 3.479 124.123 120.570 0.123 0.000 2.412 52 I HA 0.165 4.336 4.170 0.001 0.000 0.279 52 I C 0.625 176.775 176.117 0.055 0.000 1.063 52 I CA -0.348 61.013 61.300 0.101 0.000 1.193 52 I CB 0.688 38.782 38.000 0.156 0.000 1.370 52 I HN 0.747 nan 8.210 nan 0.000 0.479 53 K N 3.948 124.359 120.400 0.018 0.000 2.230 53 K HA 0.256 4.577 4.320 0.001 0.000 0.253 53 K C 0.171 176.776 176.600 0.008 0.000 1.008 53 K CA -0.894 55.397 56.287 0.006 0.000 0.910 53 K CB 0.675 33.168 32.500 -0.013 0.000 0.994 53 K HN 0.082 nan 8.250 nan 0.000 0.495 54 K N 1.094 121.497 120.400 0.005 0.000 2.518 54 K HA -0.133 4.188 4.320 0.001 0.000 0.276 54 K C 0.949 177.548 176.600 -0.001 0.000 0.974 54 K CA 0.592 56.882 56.287 0.005 0.000 0.986 54 K CB 0.638 33.138 32.500 0.001 0.000 0.901 54 K HN 0.709 nan 8.250 nan 0.000 0.497 55 Q N 1.708 121.510 119.800 0.002 0.000 2.133 55 Q HA -0.210 4.131 4.340 0.001 0.000 0.208 55 Q C 0.380 176.373 176.000 -0.011 0.000 0.991 55 Q CA 2.472 58.273 55.803 -0.004 0.000 0.867 55 Q CB 0.096 28.835 28.738 0.003 0.000 0.911 55 Q HN 0.784 nan 8.270 nan 0.000 0.417 56 D N -1.751 118.644 120.400 -0.009 0.000 2.995 56 D HA 0.054 4.694 4.640 0.001 0.000 0.289 56 D C 0.528 176.820 176.300 -0.013 0.000 1.116 56 D CA 0.378 54.371 54.000 -0.012 0.000 0.994 56 D CB -0.767 40.028 40.800 -0.009 0.000 1.209 56 D HN 0.112 nan 8.370 nan 0.000 0.458 57 S N 1.418 117.112 115.700 -0.010 0.000 2.553 57 S HA -0.062 4.409 4.470 0.001 0.000 0.271 57 S C 0.836 175.428 174.600 -0.013 0.000 1.362 57 S CA -0.080 58.113 58.200 -0.011 0.000 1.010 57 S CB 0.209 63.404 63.200 -0.008 0.000 0.865 57 S HN 0.302 nan 8.310 nan 0.000 0.543 58 N N 1.664 120.355 118.700 -0.014 0.000 2.328 58 N HA 0.106 4.846 4.740 0.001 0.000 0.247 58 N C -0.457 175.045 175.510 -0.014 0.000 1.165 58 N CA -0.398 52.642 53.050 -0.016 0.000 0.873 58 N CB 0.117 38.594 38.487 -0.018 0.000 1.125 58 N HN 0.449 nan 8.380 nan 0.000 0.513 59 K N 1.305 121.699 120.400 -0.011 0.000 2.249 59 K HA 0.210 4.530 4.320 0.001 0.000 0.280 59 K C -0.040 176.557 176.600 -0.006 0.000 1.033 59 K CA -0.603 55.678 56.287 -0.010 0.000 0.946 59 K CB 0.858 33.353 32.500 -0.009 0.000 1.005 59 K HN -0.040 nan 8.250 nan 0.000 0.469 60 I N 4.177 124.744 120.570 -0.005 0.000 2.533 60 I HA -0.016 4.154 4.170 0.001 0.000 0.284 60 I C 1.118 177.238 176.117 0.005 0.000 1.109 60 I CA 0.362 61.664 61.300 0.002 0.000 1.412 60 I CB 0.261 38.261 38.000 -0.000 0.000 1.396 60 I HN 0.819 nan 8.210 nan 0.000 0.543 61 A N 7.127 129.957 122.820 0.016 0.000 1.881 61 A HA 0.192 4.512 4.320 0.001 0.000 0.210 61 A C 0.752 178.351 177.584 0.026 0.000 1.239 61 A CA 0.548 52.597 52.037 0.019 0.000 0.629 61 A CB 0.030 19.046 19.000 0.027 0.000 0.906 61 A HN 0.456 nan 8.150 nan 0.000 0.460 62 V N 2.541 122.483 119.914 0.047 0.000 2.357 62 V HA 0.325 4.445 4.120 0.001 0.000 0.284 62 V C -2.209 173.923 176.094 0.064 0.000 1.018 62 V CA -1.805 60.530 62.300 0.058 0.000 0.841 62 V CB 1.375 33.254 31.823 0.093 0.000 0.991 62 V HN 0.386 nan 8.190 nan 0.000 0.437 63 P HA 0.150 nan 4.420 nan 0.000 0.296 63 P C -0.861 176.481 177.300 0.071 0.000 1.295 63 P CA -0.569 62.553 63.100 0.035 0.000 0.754 63 P CB 1.257 32.953 31.700 -0.006 0.000 1.311 64 K N 0.261 120.700 120.400 0.065 0.000 2.404 64 K HA 0.401 4.721 4.320 0.001 0.000 0.257 64 K C -1.423 175.218 176.600 0.069 0.000 1.026 64 K CA -0.568 55.777 56.287 0.097 0.000 0.951 64 K CB 0.238 32.802 32.500 0.107 0.000 1.203 64 K HN 0.109 nan 8.250 nan 0.000 0.446 65 V N 3.113 123.060 119.914 0.056 0.000 2.304 65 V HA 0.234 4.355 4.120 0.001 0.000 0.278 65 V C -0.340 175.713 176.094 -0.068 0.000 1.018 65 V CA -0.696 61.601 62.300 -0.005 0.000 0.814 65 V CB 1.035 32.843 31.823 -0.025 0.000 1.021 65 V HN 0.704 nan 8.190 nan 0.000 0.440 66 S N 2.987 118.682 115.700 -0.008 0.000 2.578 66 S HA 0.643 5.114 4.470 0.001 0.000 0.301 66 S C 1.330 175.960 174.600 0.051 0.000 1.091 66 S CA 0.214 58.462 58.200 0.080 0.000 1.032 66 S CB 1.861 65.184 63.200 0.205 0.000 1.064 66 S HN 0.851 nan 8.310 nan 0.000 0.508 67 G N 1.889 110.862 108.800 0.288 0.000 2.448 67 G HA2 0.002 3.962 3.960 0.001 0.000 0.218 67 G HA3 0.002 3.962 3.960 0.001 0.000 0.218 67 G C 0.651 175.681 174.900 0.217 0.000 1.135 67 G CA 0.327 45.615 45.100 0.313 0.000 0.784 67 G HN 0.632 nan 8.290 nan 0.000 0.543 68 L N 0.765 122.125 121.223 0.229 0.000 2.933 68 L HA 0.238 4.579 4.340 0.001 0.000 0.258 68 L C 0.658 177.616 176.870 0.147 0.000 1.253 68 L CA 0.254 55.214 54.840 0.200 0.000 1.096 68 L CB -0.387 41.847 42.059 0.291 0.000 1.432 68 L HN 0.222 nan 8.230 nan 0.000 0.418 69 Q N -1.861 118.006 119.800 0.113 0.000 2.484 69 Q HA 0.449 4.790 4.340 0.001 0.000 0.285 69 Q C -1.319 174.727 176.000 0.077 0.000 1.097 69 Q CA -0.882 55.003 55.803 0.137 0.000 0.802 69 Q CB 2.150 30.979 28.738 0.151 0.000 1.444 69 Q HN -0.014 nan 8.270 nan 0.000 0.429 70 Y N 0.325 120.652 120.300 0.044 0.000 2.307 70 Y HA 0.362 4.913 4.550 0.001 0.000 0.324 70 Y C 0.173 176.029 175.900 -0.073 0.000 1.238 70 Y CA -0.255 57.847 58.100 0.003 0.000 1.280 70 Y CB 0.935 39.390 38.460 -0.009 0.000 1.248 70 Y HN 0.179 nan 8.280 nan 0.000 0.508 71 R N 2.206 122.682 120.500 -0.041 0.000 2.363 71 R HA 0.347 4.687 4.340 0.001 0.000 0.297 71 R C -1.778 174.183 176.300 -0.566 0.000 1.208 71 R CA -0.740 55.113 56.100 -0.412 0.000 1.121 71 R CB 0.438 30.299 30.300 -0.731 0.000 1.124 71 R HN 0.413 nan 8.270 nan 0.000 0.561 72 V N 5.038 124.744 119.914 -0.346 0.000 2.334 72 V HA 0.403 4.524 4.120 0.001 0.000 0.267 72 V C 0.154 176.047 176.094 -0.336 0.000 1.040 72 V CA -0.557 61.611 62.300 -0.220 0.000 0.866 72 V CB 0.116 31.972 31.823 0.055 0.000 1.019 72 V HN 0.332 nan 8.190 nan 0.000 0.468 73 F N 3.590 123.510 119.950 -0.049 0.000 2.394 73 F HA 0.565 5.093 4.527 0.001 0.000 0.340 73 F C 0.759 176.349 175.800 -0.350 0.000 1.105 73 F CA -0.552 57.380 58.000 -0.113 0.000 1.124 73 F CB 1.150 40.044 39.000 -0.176 0.000 1.145 73 F HN 0.317 nan 8.300 nan 0.000 0.505 74 R N 2.980 123.394 120.500 -0.143 0.000 2.272 74 R HA 0.458 4.799 4.340 0.001 0.000 0.323 74 R C -1.594 174.546 176.300 -0.267 0.000 1.002 74 R CA -0.461 55.280 56.100 -0.599 0.000 0.900 74 R CB 1.036 31.048 30.300 -0.480 0.000 1.151 74 R HN 0.580 nan 8.270 nan 0.000 0.507 75 V N 6.393 126.121 119.914 -0.310 0.000 2.352 75 V HA 0.076 4.196 4.120 0.001 0.000 0.253 75 V C 0.452 176.432 176.094 -0.191 0.000 1.083 75 V CA -0.165 62.016 62.300 -0.198 0.000 0.993 75 V CB 0.478 32.149 31.823 -0.254 0.000 1.111 75 V HN 0.555 nan 8.190 nan 0.000 0.490 76 K N 4.473 124.802 120.400 -0.118 0.000 2.380 76 K HA 0.439 4.760 4.320 0.001 0.000 0.267 76 K C -0.434 176.070 176.600 -0.160 0.000 0.990 76 K CA 0.081 56.303 56.287 -0.107 0.000 0.946 76 K CB 0.793 33.259 32.500 -0.057 0.000 0.937 76 K HN 0.493 nan 8.250 nan 0.000 0.491 77 L N 3.661 124.775 121.223 -0.181 0.000 2.409 77 L HA 0.357 4.698 4.340 0.001 0.000 0.262 77 L C -2.211 174.460 176.870 -0.331 0.000 0.992 77 L CA -2.157 52.493 54.840 -0.316 0.000 0.817 77 L CB 2.648 44.511 42.059 -0.327 0.000 1.350 77 L HN 0.435 nan 8.230 nan 0.000 0.411 78 P HA -0.080 nan 4.420 nan 0.000 0.262 78 P C -0.902 176.249 177.300 -0.248 0.000 1.182 78 P CA 0.030 62.820 63.100 -0.517 0.000 0.761 78 P CB 0.767 31.820 31.700 -1.078 0.000 0.795 79 D N 5.346 125.672 120.400 -0.123 0.000 2.363 79 D HA 0.021 4.661 4.640 0.001 0.000 0.263 79 D C -1.092 175.166 176.300 -0.070 0.000 1.258 79 D CA -1.648 52.328 54.000 -0.040 0.000 0.907 79 D CB 0.768 41.590 40.800 0.037 0.000 1.107 79 D HN 0.226 nan 8.370 nan 0.000 0.495 80 P HA -0.097 nan 4.420 nan 0.000 0.234 80 P C 0.500 177.843 177.300 0.073 0.000 1.162 80 P CA 0.635 63.636 63.100 -0.164 0.000 0.759 80 P CB 0.387 31.620 31.700 -0.779 0.000 0.813 81 N N -0.189 118.538 118.700 0.045 0.000 2.388 81 N HA 0.039 4.779 4.740 0.001 0.000 0.176 81 N C 1.401 176.985 175.510 0.124 0.000 1.062 81 N CA 0.495 53.591 53.050 0.077 0.000 0.895 81 N CB 0.268 38.779 38.487 0.039 0.000 1.018 81 N HN 0.325 nan 8.380 nan 0.000 0.456 82 K N -0.134 120.347 120.400 0.135 0.000 2.202 82 K HA 0.091 4.412 4.320 0.001 0.000 0.201 82 K C 0.427 177.126 176.600 0.166 0.000 1.051 82 K CA -0.016 56.348 56.287 0.128 0.000 0.977 82 K CB 0.047 32.616 32.500 0.115 0.000 0.792 82 K HN -0.102 nan 8.250 nan 0.000 0.469 83 F N 1.814 121.728 119.950 -0.061 0.000 2.657 83 F HA 0.065 4.592 4.527 0.001 0.000 0.347 83 F C 1.225 176.825 175.800 -0.334 0.000 1.180 83 F CA 0.226 58.090 58.000 -0.226 0.000 1.383 83 F CB 0.304 39.157 39.000 -0.245 0.000 1.077 83 F HN -0.004 nan 8.300 nan 0.000 0.622 84 G N 2.447 110.931 108.800 -0.526 0.000 2.513 84 G HA2 0.598 4.558 3.960 0.001 0.000 0.317 84 G HA3 0.598 4.558 3.960 0.001 0.000 0.317 84 G C -1.916 172.587 174.900 -0.662 0.000 1.277 84 G CA -0.478 44.405 45.100 -0.362 0.000 0.955 84 G HN 0.340 nan 8.290 nan 0.000 0.484 85 F N 1.563 121.525 119.950 0.020 0.000 2.546 85 F HA 0.500 5.028 4.527 0.001 0.000 0.320 85 F C -1.069 174.734 175.800 0.007 0.000 1.076 85 F CA -1.951 56.067 58.000 0.030 0.000 0.928 85 F CB 2.829 41.833 39.000 0.006 0.000 1.189 85 F HN 0.329 nan 8.300 nan 0.000 0.465 86 P HA -0.040 nan 4.420 nan 0.000 0.220 86 P C 0.635 177.958 177.300 0.039 0.000 1.154 86 P CA 1.086 64.243 63.100 0.094 0.000 0.830 86 P CB 0.354 32.114 31.700 0.100 0.000 0.803 87 D N 0.522 120.968 120.400 0.075 0.000 2.363 87 D HA -0.053 4.588 4.640 0.001 0.000 0.226 87 D C 0.585 176.710 176.300 -0.292 0.000 1.020 87 D CA 0.628 54.620 54.000 -0.013 0.000 0.892 87 D CB -0.398 40.489 40.800 0.144 0.000 0.900 87 D HN 0.113 nan 8.370 nan 0.000 0.531 88 T N -1.869 112.591 114.554 -0.156 0.000 3.419 88 T HA 0.159 4.509 4.350 0.001 0.000 0.228 88 T C 1.238 175.868 174.700 -0.117 0.000 0.939 88 T CA 0.085 62.105 62.100 -0.132 0.000 0.992 88 T CB 0.043 68.912 68.868 0.002 0.000 1.186 88 T HN -0.006 nan 8.240 nan 0.000 0.612 89 S N 0.713 116.119 115.700 -0.490 0.000 2.499 89 S HA 0.159 4.629 4.470 0.001 0.000 0.225 89 S C 0.790 175.224 174.600 -0.277 0.000 1.050 89 S CA -0.635 57.365 58.200 -0.333 0.000 0.928 89 S CB -0.610 62.410 63.200 -0.300 0.000 0.803 89 S HN 0.605 nan 8.310 nan 0.000 0.506 90 F N 1.801 121.808 119.950 0.095 0.000 2.974 90 F HA 0.647 5.174 4.527 0.001 0.000 0.292 90 F C -0.258 175.616 175.800 0.124 0.000 1.209 90 F CA -2.089 55.955 58.000 0.074 0.000 1.366 90 F CB -0.992 38.041 39.000 0.056 0.000 1.033 90 F HN 0.255 nan 8.300 nan 0.000 0.516 91 Y N 0.475 120.771 120.300 -0.005 0.000 2.470 91 Y HA 0.580 5.131 4.550 0.001 0.000 0.341 91 Y C -1.942 173.944 175.900 -0.024 0.000 1.021 91 Y CA -2.234 55.873 58.100 0.012 0.000 1.025 91 Y CB 1.739 40.176 38.460 -0.038 0.000 1.266 91 Y HN 0.103 nan 8.280 nan 0.000 0.448 92 D N 8.076 128.086 120.400 -0.649 0.000 2.441 92 D HA 0.385 5.025 4.640 0.001 0.000 0.231 92 D C -2.138 173.666 176.300 -0.827 0.000 1.073 92 D CA -2.698 50.938 54.000 -0.608 0.000 0.850 92 D CB 1.936 42.582 40.800 -0.257 0.000 1.062 92 D HN 0.406 nan 8.370 nan 0.000 0.524 93 P HA -0.049 nan 4.420 nan 0.000 0.234 93 P C 0.752 177.898 177.300 -0.257 0.000 1.167 93 P CA 0.370 63.135 63.100 -0.559 0.000 0.763 93 P CB 0.421 31.938 31.700 -0.305 0.000 0.835 94 A N 0.882 123.567 122.820 -0.226 0.000 1.935 94 A HA -0.010 4.311 4.320 0.001 0.000 0.214 94 A C 2.215 179.742 177.584 -0.094 0.000 1.178 94 A CA 1.688 53.652 52.037 -0.121 0.000 0.640 94 A CB -0.708 18.236 19.000 -0.093 0.000 0.825 94 A HN 0.377 nan 8.150 nan 0.000 0.447 95 S N -1.519 114.111 115.700 -0.117 0.000 2.559 95 S HA 0.213 4.683 4.470 0.001 0.000 0.226 95 S C 0.580 175.144 174.600 -0.060 0.000 1.030 95 S CA -0.442 57.719 58.200 -0.065 0.000 0.956 95 S CB -0.068 63.105 63.200 -0.046 0.000 0.900 95 S HN 0.589 nan 8.310 nan 0.000 0.510 96 Q N 0.544 120.287 119.800 -0.095 0.000 2.194 96 Q HA 0.703 5.043 4.340 0.001 0.000 0.245 96 Q C -0.560 175.436 176.000 -0.008 0.000 0.993 96 Q CA -1.113 54.699 55.803 0.015 0.000 0.930 96 Q CB 1.022 29.869 28.738 0.183 0.000 1.238 96 Q HN 0.080 nan 8.270 nan 0.000 0.486 97 R N -0.159 120.274 120.500 -0.111 0.000 2.766 97 R HA 0.600 4.941 4.340 0.001 0.000 0.270 97 R C -1.320 174.730 176.300 -0.416 0.000 1.035 97 R CA -0.781 55.082 56.100 -0.394 0.000 0.911 97 R CB 1.197 30.788 30.300 -1.181 0.000 1.243 97 R HN 0.548 nan 8.270 nan 0.000 0.460 98 L N 0.802 121.735 121.223 -0.484 0.000 2.362 98 L HA 0.761 5.102 4.340 0.001 0.000 0.271 98 L C -0.529 176.172 176.870 -0.283 0.000 1.002 98 L CA -1.082 53.495 54.840 -0.439 0.000 0.818 98 L CB 2.233 43.949 42.059 -0.570 0.000 1.298 98 L HN 0.213 nan 8.230 nan 0.000 0.420 99 V N -0.663 119.044 119.914 -0.345 0.000 3.078 99 V HA 0.443 4.563 4.120 0.001 0.000 0.311 99 V C -1.490 174.358 176.094 -0.410 0.000 1.138 99 V CA -0.859 61.291 62.300 -0.249 0.000 1.007 99 V CB 2.313 33.998 31.823 -0.230 0.000 1.045 99 V HN 0.654 nan 8.190 nan 0.000 0.432 100 W N 1.101 122.269 121.300 -0.219 0.000 2.429 100 W HA 0.731 5.392 4.660 0.001 0.000 0.314 100 W C 0.141 176.585 176.519 -0.126 0.000 1.062 100 W CA -0.457 56.765 57.345 -0.205 0.000 1.211 100 W CB 1.739 30.980 29.460 -0.366 0.000 1.305 100 W HN 0.737 nan 8.180 nan 0.000 0.476 101 A N 3.877 126.812 122.820 0.191 0.000 2.279 101 A HA 0.382 4.702 4.320 0.001 0.000 0.306 101 A C -0.118 177.601 177.584 0.225 0.000 1.300 101 A CA -0.561 51.533 52.037 0.095 0.000 0.925 101 A CB -0.024 18.953 19.000 -0.039 0.000 1.152 101 A HN 0.806 nan 8.150 nan 0.000 0.544 102 C N 2.801 122.226 119.300 0.207 0.000 2.657 102 C HA 0.429 4.890 4.460 0.001 0.000 0.420 102 C C 1.414 176.364 174.990 -0.065 0.000 1.323 102 C CA 0.991 60.038 59.018 0.049 0.000 1.894 102 C CB -0.408 27.360 27.740 0.047 0.000 2.681 102 C HN 0.877 nan 8.230 nan 0.000 0.613 103 T N 3.009 117.489 114.554 -0.124 0.000 3.010 103 T HA 0.341 4.692 4.350 0.001 0.000 0.252 103 T C 0.438 175.204 174.700 0.110 0.000 0.963 103 T CA 0.640 62.748 62.100 0.014 0.000 0.952 103 T CB 0.470 69.354 68.868 0.027 0.000 1.182 103 T HN 1.015 nan 8.240 nan 0.000 0.495 104 G N 0.911 109.693 108.800 -0.030 0.000 2.740 104 G HA2 0.588 4.549 3.960 0.001 0.000 0.296 104 G HA3 0.588 4.549 3.960 0.001 0.000 0.296 104 G C -1.750 172.928 174.900 -0.370 0.000 1.439 104 G CA -0.285 44.768 45.100 -0.078 0.000 1.066 104 G HN 0.144 nan 8.290 nan 0.000 0.527 105 V N 1.879 121.525 119.914 -0.446 0.000 2.588 105 V HA 0.605 4.725 4.120 0.001 0.000 0.304 105 V C -0.745 174.974 176.094 -0.624 0.000 1.042 105 V CA -0.798 61.224 62.300 -0.463 0.000 0.877 105 V CB 1.998 33.741 31.823 -0.134 0.000 0.996 105 V HN 0.715 nan 8.190 nan 0.000 0.425 106 E N 3.173 122.943 120.200 -0.717 0.000 2.220 106 E HA 0.392 4.742 4.350 0.001 0.000 0.256 106 E C -1.512 174.776 176.600 -0.520 0.000 0.881 106 E CA -0.326 55.685 56.400 -0.648 0.000 0.766 106 E CB 2.161 31.544 29.700 -0.529 0.000 1.187 106 E HN 0.422 nan 8.360 nan 0.000 0.419 107 V N 3.820 123.496 119.914 -0.396 0.000 2.218 107 V HA 0.288 4.409 4.120 0.001 0.000 0.261 107 V C 0.791 176.751 176.094 -0.224 0.000 1.142 107 V CA -0.563 61.594 62.300 -0.238 0.000 0.965 107 V CB 0.851 32.639 31.823 -0.058 0.000 1.190 107 V HN 0.634 nan 8.190 nan 0.000 0.478 108 G N 4.502 113.160 108.800 -0.236 0.000 2.398 108 G HA2 0.369 4.329 3.960 0.001 0.000 0.246 108 G HA3 0.369 4.329 3.960 0.001 0.000 0.246 108 G C -0.081 174.672 174.900 -0.245 0.000 1.289 108 G CA -0.356 44.627 45.100 -0.195 0.000 0.869 108 G HN 0.455 nan 8.290 nan 0.000 0.543 109 R N 1.140 121.511 120.500 -0.215 0.000 2.561 109 R HA 0.534 4.875 4.340 0.001 0.000 0.297 109 R C 0.368 176.559 176.300 -0.181 0.000 0.969 109 R CA -0.562 55.346 56.100 -0.320 0.000 0.879 109 R CB 1.885 32.011 30.300 -0.290 0.000 1.178 109 R HN 0.638 nan 8.270 nan 0.000 0.445 110 G N 0.787 109.479 108.800 -0.179 0.000 2.552 110 G HA2 0.538 4.498 3.960 0.001 0.000 0.318 110 G HA3 0.538 4.498 3.960 0.001 0.000 0.318 110 G C -0.911 173.953 174.900 -0.060 0.000 1.240 110 G CA -0.157 44.889 45.100 -0.089 0.000 1.002 110 G HN 0.411 nan 8.290 nan 0.000 0.493 111 Q N -1.765 118.023 119.800 -0.020 0.000 0.529 111 Q HA -0.126 4.215 4.340 0.001 0.000 0.176 111 Q C -2.717 173.285 176.000 0.002 0.000 1.110 111 Q CA -0.081 55.725 55.803 0.004 0.000 0.204 111 Q CB -1.638 27.116 28.738 0.027 0.000 5.600 111 Q HN 0.683 nan 8.270 nan 0.000 0.288 112 P HA 0.328 nan 4.420 nan 0.000 0.278 112 P C -0.220 177.088 177.300 0.013 0.000 1.238 112 P CA -0.607 62.497 63.100 0.006 0.000 0.794 112 P CB 0.494 32.195 31.700 0.001 0.000 0.955 113 L N 1.498 122.732 121.223 0.017 0.000 2.472 113 L HA 0.463 4.804 4.340 0.001 0.000 0.273 113 L C 1.484 178.364 176.870 0.017 0.000 1.254 113 L CA 1.431 56.287 54.840 0.027 0.000 0.823 113 L CB -1.143 40.933 42.059 0.028 0.000 1.096 113 L HN 0.915 nan 8.230 nan 0.000 0.521 114 G N -0.837 107.976 108.800 0.021 0.000 2.350 114 G HA2 0.512 4.472 3.960 0.001 0.000 0.304 114 G HA3 0.512 4.472 3.960 0.001 0.000 0.304 114 G C -1.718 173.188 174.900 0.010 0.000 1.421 114 G CA -0.168 44.934 45.100 0.004 0.000 0.934 114 G HN 1.106 nan 8.290 nan 0.000 0.632 115 V N -1.131 118.782 119.914 -0.003 0.000 2.888 115 V HA 1.006 5.126 4.120 0.001 0.000 0.309 115 V C 0.579 176.663 176.094 -0.015 0.000 1.114 115 V CA 0.456 62.762 62.300 0.011 0.000 0.940 115 V CB 1.588 33.427 31.823 0.027 0.000 1.021 115 V HN 2.183 nan 8.190 nan 0.000 0.426 116 G N 2.330 111.128 108.800 -0.004 0.000 2.525 116 G HA2 0.739 4.699 3.960 0.001 0.000 0.287 116 G HA3 0.739 4.699 3.960 0.001 0.000 0.287 116 G C -0.641 174.233 174.900 -0.043 0.000 1.350 116 G CA -0.237 44.851 45.100 -0.020 0.000 1.039 116 G HN 1.780 nan 8.290 nan 0.000 0.513 117 I N -0.544 119.993 120.570 -0.055 0.000 2.710 117 I HA 0.318 4.489 4.170 0.001 0.000 0.283 117 I C -0.745 175.303 176.117 -0.116 0.000 1.355 117 I CA -0.427 60.810 61.300 -0.104 0.000 1.094 117 I CB 1.079 39.053 38.000 -0.044 0.000 1.365 117 I HN 0.513 nan 8.210 nan 0.000 0.435 118 S N 4.625 120.095 115.700 -0.383 0.000 2.681 118 S HA 1.022 5.493 4.470 0.001 0.000 0.299 118 S C -0.005 174.375 174.600 -0.367 0.000 1.113 118 S CA -0.435 57.461 58.200 -0.508 0.000 1.013 118 S CB 1.937 64.772 63.200 -0.608 0.000 1.076 118 S HN 0.928 nan 8.310 nan 0.000 0.534 119 G N -0.316 108.244 108.800 -0.399 0.000 2.645 119 G HA2 0.589 4.549 3.960 0.001 0.000 0.292 119 G HA3 0.589 4.549 3.960 0.001 0.000 0.292 119 G C -2.089 172.737 174.900 -0.123 0.000 1.415 119 G CA -0.506 44.482 45.100 -0.186 0.000 0.785 119 G HN 0.753 nan 8.290 nan 0.000 0.483 120 H N 0.240 119.239 119.070 -0.119 0.000 3.179 120 H HA 0.313 4.869 4.556 0.001 0.000 0.331 120 H C -2.438 172.858 175.328 -0.053 0.000 1.013 120 H CA -1.105 54.890 56.048 -0.089 0.000 1.430 120 H CB 2.923 32.629 29.762 -0.094 0.000 1.895 120 H HN 0.170 nan 8.280 nan 0.000 0.468 121 P HA -0.013 nan 4.420 nan 0.000 0.221 121 P C 0.460 177.840 177.300 0.134 0.000 1.145 121 P CA 1.061 64.173 63.100 0.020 0.000 0.795 121 P CB 0.368 32.040 31.700 -0.047 0.000 0.775 122 L N -1.702 119.758 121.223 0.394 0.000 3.025 122 L HA 0.248 4.588 4.340 0.001 0.000 0.307 122 L C -0.180 176.751 176.870 0.102 0.000 1.303 122 L CA -0.883 54.112 54.840 0.257 0.000 0.817 122 L CB 0.463 42.645 42.059 0.205 0.000 1.227 122 L HN -0.089 nan 8.230 nan 0.000 0.571 123 L N 1.334 122.586 121.223 0.049 0.000 2.485 123 L HA 0.092 4.433 4.340 0.001 0.000 0.275 123 L C 0.737 177.497 176.870 -0.183 0.000 1.207 123 L CA 0.507 55.199 54.840 -0.247 0.000 0.855 123 L CB 0.412 42.415 42.059 -0.093 0.000 1.114 123 L HN 0.234 nan 8.230 nan 0.000 0.485 124 N N 4.739 123.288 118.700 -0.252 0.000 2.508 124 N HA 0.103 4.844 4.740 0.001 0.000 0.253 124 N C -1.026 174.424 175.510 -0.100 0.000 1.145 124 N CA 0.130 53.076 53.050 -0.174 0.000 0.973 124 N CB -0.085 38.272 38.487 -0.216 0.000 1.305 124 N HN 0.440 nan 8.380 nan 0.000 0.506 125 K N 5.239 125.620 120.400 -0.032 0.000 2.621 125 K HA 0.102 4.423 4.320 0.001 0.000 0.233 125 K C 0.149 176.780 176.600 0.052 0.000 0.972 125 K CA -0.560 55.743 56.287 0.028 0.000 0.988 125 K CB 0.702 33.110 32.500 -0.154 0.000 1.187 125 K HN 0.361 nan 8.250 nan 0.000 0.471 126 L N 3.521 124.819 121.223 0.124 0.000 1.913 126 L HA -0.012 4.329 4.340 0.001 0.000 0.217 126 L C -0.151 176.799 176.870 0.133 0.000 1.086 126 L CA 2.175 57.080 54.840 0.109 0.000 0.772 126 L CB -0.206 41.926 42.059 0.122 0.000 0.887 126 L HN 0.801 nan 8.230 nan 0.000 0.432 127 D N -2.618 117.903 120.400 0.201 0.000 2.664 127 D HA 0.322 4.962 4.640 0.001 0.000 0.292 127 D C -1.609 174.893 176.300 0.336 0.000 1.214 127 D CA -0.572 53.561 54.000 0.221 0.000 0.932 127 D CB 0.381 41.278 40.800 0.161 0.000 1.420 127 D HN 0.117 nan 8.370 nan 0.000 0.471 128 D N -0.883 119.694 120.400 0.295 0.000 2.412 128 D HA 0.334 4.974 4.640 0.001 0.000 0.224 128 D C 0.050 176.400 176.300 0.084 0.000 1.093 128 D CA -0.541 53.585 54.000 0.210 0.000 0.850 128 D CB 0.771 41.688 40.800 0.194 0.000 1.046 128 D HN 0.368 nan 8.370 nan 0.000 0.507 129 T N 0.288 114.867 114.554 0.042 0.000 3.223 129 T HA 0.116 4.466 4.350 0.001 0.000 0.259 129 T C 1.160 175.831 174.700 -0.049 0.000 1.015 129 T CA -0.430 61.700 62.100 0.049 0.000 0.908 129 T CB 0.176 69.132 68.868 0.147 0.000 1.054 129 T HN 0.497 nan 8.240 nan 0.000 0.567 130 E N 1.750 121.892 120.200 -0.097 0.000 2.112 130 E HA -0.034 4.316 4.350 0.001 0.000 0.190 130 E C 0.882 177.431 176.600 -0.085 0.000 0.979 130 E CA 0.554 56.873 56.400 -0.134 0.000 0.814 130 E CB 0.240 29.832 29.700 -0.181 0.000 0.762 130 E HN 0.381 nan 8.360 nan 0.000 0.460 131 N N 0.020 118.691 118.700 -0.048 0.000 2.570 131 N HA 0.009 4.750 4.740 0.001 0.000 0.261 131 N C -1.652 173.861 175.510 0.005 0.000 1.540 131 N CA -0.016 53.018 53.050 -0.026 0.000 0.959 131 N CB 0.341 38.807 38.487 -0.035 0.000 1.449 131 N HN -0.036 nan 8.380 nan 0.000 0.519 132 S N 0.085 115.799 115.700 0.024 0.000 2.631 132 S HA -0.045 4.425 4.470 0.001 0.000 0.311 132 S C 1.423 176.052 174.600 0.047 0.000 1.254 132 S CA 0.478 58.710 58.200 0.053 0.000 1.039 132 S CB 0.243 63.487 63.200 0.074 0.000 0.753 132 S HN 0.501 nan 8.310 nan 0.000 0.494 133 N N 3.068 121.800 118.700 0.054 0.000 2.063 133 N HA -0.035 4.705 4.740 0.001 0.000 0.192 133 N C 0.903 176.445 175.510 0.053 0.000 1.071 133 N CA 0.713 53.790 53.050 0.046 0.000 0.858 133 N CB -0.061 38.451 38.487 0.043 0.000 1.050 133 N HN 0.455 nan 8.380 nan 0.000 0.434 134 K N -0.616 119.823 120.400 0.064 0.000 3.064 134 K HA 0.225 4.545 4.320 0.001 0.000 0.289 134 K C -1.057 175.638 176.600 0.158 0.000 0.975 134 K CA -0.360 55.980 56.287 0.089 0.000 1.380 134 K CB -0.473 32.065 32.500 0.062 0.000 3.395 134 K HN 0.143 nan 8.250 nan 0.000 1.073 135 Y N 1.742 122.056 120.300 0.023 0.000 2.400 135 Y HA 0.357 4.907 4.550 0.001 0.000 0.335 135 Y C -1.183 174.729 175.900 0.021 0.000 1.066 135 Y CA -1.064 57.050 58.100 0.023 0.000 1.285 135 Y CB 0.466 38.938 38.460 0.019 0.000 1.103 135 Y HN 0.075 nan 8.280 nan 0.000 0.490 136 V N 5.238 124.942 119.914 -0.351 0.000 2.834 136 V HA 0.556 4.677 4.120 0.001 0.000 0.301 136 V C 1.178 176.836 176.094 -0.726 0.000 1.066 136 V CA 0.283 62.336 62.300 -0.413 0.000 1.052 136 V CB 1.097 32.822 31.823 -0.164 0.000 1.021 136 V HN 0.936 nan 8.190 nan 0.000 0.480 137 G N 2.153 110.636 108.800 -0.530 0.000 2.525 137 G HA2 0.106 4.066 3.960 0.001 0.000 0.276 137 G HA3 0.106 4.066 3.960 0.001 0.000 0.276 137 G C -0.054 174.758 174.900 -0.147 0.000 1.388 137 G CA -0.774 44.082 45.100 -0.406 0.000 1.050 137 G HN 0.802 nan 8.290 nan 0.000 0.520 138 N N 0.501 119.186 118.700 -0.025 0.000 2.386 138 N HA 0.191 4.932 4.740 0.001 0.000 0.273 138 N C 0.844 176.352 175.510 -0.003 0.000 1.331 138 N CA 0.400 53.460 53.050 0.017 0.000 0.891 138 N CB 0.508 39.015 38.487 0.033 0.000 1.139 138 N HN 0.609 nan 8.380 nan 0.000 0.487 139 S N 0.975 116.678 115.700 0.004 0.000 2.598 139 S HA 0.360 4.831 4.470 0.001 0.000 0.256 139 S C 1.241 175.842 174.600 0.001 0.000 1.350 139 S CA -0.403 57.797 58.200 -0.000 0.000 0.984 139 S CB 0.654 63.860 63.200 0.011 0.000 0.930 139 S HN 0.508 nan 8.310 nan 0.000 0.577 140 G N -0.292 108.508 108.800 0.000 0.000 3.152 140 G HA2 0.466 4.427 3.960 0.001 0.000 0.157 140 G HA3 0.466 4.427 3.960 0.001 0.000 0.157 140 G C -0.495 174.406 174.900 0.002 0.000 1.786 140 G CA -0.091 45.009 45.100 0.000 0.000 1.055 140 G HN 0.790 nan 8.290 nan 0.000 0.528 141 T N 0.329 114.883 114.554 0.001 0.000 2.886 141 T HA 0.462 4.812 4.350 0.001 0.000 0.292 141 T C -1.265 173.434 174.700 -0.001 0.000 1.012 141 T CA 0.228 62.328 62.100 -0.000 0.000 0.982 141 T CB 1.579 70.446 68.868 -0.001 0.000 1.018 141 T HN 0.579 nan 8.240 nan 0.000 0.451 142 D N 2.268 122.666 120.400 -0.003 0.000 3.620 142 D HA -0.141 4.499 4.640 0.001 0.000 0.237 142 D C -0.135 176.165 176.300 -0.000 0.000 1.111 142 D CA 0.470 54.469 54.000 -0.003 0.000 1.070 142 D CB -0.883 39.917 40.800 -0.000 0.000 0.891 142 D HN 0.613 nan 8.370 nan 0.000 0.412 143 N N 1.229 119.929 118.700 -0.001 0.000 2.234 143 N HA 0.137 4.878 4.740 0.001 0.000 0.227 143 N C 0.081 175.591 175.510 0.000 0.000 1.151 143 N CA -0.457 52.596 53.050 0.004 0.000 0.865 143 N CB 0.514 39.008 38.487 0.012 0.000 1.066 143 N HN 0.280 nan 8.380 nan 0.000 0.515 144 R N 1.539 122.034 120.500 -0.008 0.000 2.811 144 R HA 0.128 4.468 4.340 0.001 0.000 0.265 144 R C 0.299 176.598 176.300 -0.002 0.000 1.026 144 R CA 0.323 56.413 56.100 -0.017 0.000 1.142 144 R CB 0.239 30.526 30.300 -0.021 0.000 1.027 144 R HN 0.377 nan 8.270 nan 0.000 0.465 145 E N 0.385 120.581 120.200 -0.007 0.000 2.390 145 E HA 0.146 4.496 4.350 0.001 0.000 0.277 145 E C -1.207 175.401 176.600 0.013 0.000 0.939 145 E CA -1.006 55.395 56.400 0.002 0.000 0.769 145 E CB 1.447 31.142 29.700 -0.008 0.000 1.251 145 E HN 0.526 nan 8.360 nan 0.000 0.450 146 C N 3.326 122.640 119.300 0.024 0.000 2.519 146 C HA 0.272 4.732 4.460 0.001 0.000 0.402 146 C C -0.007 174.984 174.990 0.003 0.000 1.475 146 C CA 0.251 59.285 59.018 0.026 0.000 1.504 146 C CB -2.072 25.680 27.740 0.020 0.000 2.454 146 C HN 0.525 nan 8.230 nan 0.000 0.615 147 I N 5.908 126.479 120.570 0.003 0.000 2.722 147 I HA 0.460 4.630 4.170 0.001 0.000 0.295 147 I C 0.024 176.137 176.117 -0.007 0.000 1.161 147 I CA 0.021 61.310 61.300 -0.019 0.000 1.032 147 I CB 2.544 40.509 38.000 -0.058 0.000 1.244 147 I HN 0.730 nan 8.210 nan 0.000 0.421 148 S N 6.299 121.989 115.700 -0.016 0.000 2.709 148 S HA 0.955 5.425 4.470 0.001 0.000 0.302 148 S C -0.684 173.900 174.600 -0.026 0.000 1.127 148 S CA -0.700 57.478 58.200 -0.036 0.000 0.905 148 S CB 2.563 65.741 63.200 -0.037 0.000 1.151 148 S HN 0.726 nan 8.310 nan 0.000 0.510 149 M N 0.363 119.924 119.600 -0.065 0.000 2.860 149 M HA 0.302 4.782 4.480 0.001 0.000 0.270 149 M C -2.594 173.637 176.300 -0.115 0.000 0.988 149 M CA -0.556 54.725 55.300 -0.032 0.000 0.807 149 M CB 1.533 34.184 32.600 0.084 0.000 1.708 149 M HN 0.825 nan 8.290 nan 0.000 0.558 150 D N 2.674 123.041 120.400 -0.056 0.000 2.264 150 D HA 0.351 4.991 4.640 0.001 0.000 0.250 150 D C -1.063 175.283 176.300 0.076 0.000 1.113 150 D CA 0.072 54.039 54.000 -0.055 0.000 0.871 150 D CB 0.908 41.700 40.800 -0.013 0.000 1.167 150 D HN 0.662 nan 8.370 nan 0.000 0.447 151 Y N 0.430 120.767 120.300 0.061 0.000 2.298 151 Y HA 0.075 4.625 4.550 0.001 0.000 0.329 151 Y C 1.570 177.498 175.900 0.047 0.000 1.293 151 Y CA -1.184 56.963 58.100 0.077 0.000 1.388 151 Y CB 1.195 39.727 38.460 0.120 0.000 1.309 151 Y HN 0.255 nan 8.280 nan 0.000 0.544 152 K N 2.315 122.841 120.400 0.211 0.000 2.550 152 K HA -0.160 4.160 4.320 0.001 0.000 0.280 152 K C -0.329 176.352 176.600 0.135 0.000 0.987 152 K CA 0.039 56.396 56.287 0.116 0.000 1.048 152 K CB 0.372 32.929 32.500 0.095 0.000 0.879 152 K HN 0.663 nan 8.250 nan 0.000 0.491 153 Q N 3.235 123.099 119.800 0.107 0.000 2.294 153 Q HA 0.125 4.465 4.340 0.001 0.000 0.257 153 Q C -1.263 174.798 176.000 0.102 0.000 0.955 153 Q CA -0.147 55.720 55.803 0.108 0.000 0.936 153 Q CB 0.968 29.760 28.738 0.090 0.000 1.188 153 Q HN 0.600 nan 8.270 nan 0.000 0.420 154 T N 3.993 118.610 114.554 0.106 0.000 2.900 154 T HA 0.383 4.733 4.350 0.001 0.000 0.295 154 T C -0.931 173.821 174.700 0.087 0.000 1.044 154 T CA -0.735 61.420 62.100 0.092 0.000 0.995 154 T CB 1.659 70.583 68.868 0.094 0.000 1.072 154 T HN 0.580 nan 8.240 nan 0.000 0.473 155 Q N 2.242 122.077 119.800 0.058 0.000 2.490 155 Q HA 0.542 4.883 4.340 0.001 0.000 0.255 155 Q C -1.116 174.909 176.000 0.043 0.000 0.997 155 Q CA -0.633 55.189 55.803 0.031 0.000 0.709 155 Q CB 1.300 29.949 28.738 -0.148 0.000 1.255 155 Q HN 0.637 nan 8.270 nan 0.000 0.486 156 L N -1.315 120.031 121.223 0.205 0.000 2.283 156 L HA 1.008 5.348 4.340 0.001 0.000 0.259 156 L C -1.116 175.973 176.870 0.365 0.000 1.027 156 L CA -0.858 54.105 54.840 0.204 0.000 0.828 156 L CB 2.440 44.601 42.059 0.171 0.000 1.380 156 L HN 0.506 nan 8.230 nan 0.000 0.425 157 C N 2.225 121.704 119.300 0.298 0.000 2.924 157 C HA 0.703 5.163 4.460 0.001 0.000 0.400 157 C C -1.302 173.838 174.990 0.250 0.000 1.032 157 C CA -0.580 58.650 59.018 0.352 0.000 1.236 157 C CB -0.017 28.047 27.740 0.541 0.000 1.660 157 C HN 0.895 nan 8.230 nan 0.000 0.510 158 L N 6.241 127.604 121.223 0.233 0.000 2.346 158 L HA 0.814 5.154 4.340 0.001 0.000 0.274 158 L C -0.625 176.374 176.870 0.215 0.000 1.007 158 L CA -0.785 54.171 54.840 0.193 0.000 0.818 158 L CB 1.516 43.618 42.059 0.072 0.000 1.284 158 L HN 0.336 nan 8.230 nan 0.000 0.424 159 I N 2.137 122.853 120.570 0.243 0.000 2.420 159 I HA 0.591 4.761 4.170 0.001 0.000 0.282 159 I C 0.408 176.361 176.117 -0.274 0.000 1.019 159 I CA -0.401 61.032 61.300 0.222 0.000 1.130 159 I CB 0.969 39.271 38.000 0.503 0.000 1.262 159 I HN 0.737 nan 8.210 nan 0.000 0.454 160 G N 3.274 111.827 108.800 -0.411 0.000 2.453 160 G HA2 0.448 4.409 3.960 0.001 0.000 0.323 160 G HA3 0.448 4.409 3.960 0.001 0.000 0.323 160 G C 0.584 175.260 174.900 -0.374 0.000 1.198 160 G CA -0.553 44.078 45.100 -0.782 0.000 0.959 160 G HN 0.754 nan 8.290 nan 0.000 0.482 161 C N -0.166 118.993 119.300 -0.235 0.000 2.626 161 C HA 0.499 4.960 4.460 0.001 0.000 0.266 161 C C 0.771 175.863 174.990 0.169 0.000 1.317 161 C CA -0.872 58.277 59.018 0.219 0.000 1.716 161 C CB -1.621 26.349 27.740 0.384 0.000 1.819 161 C HN 0.479 nan 8.230 nan 0.000 0.578 162 R N 0.841 121.267 120.500 -0.122 0.000 2.837 162 R HA 0.528 4.869 4.340 0.001 0.000 0.271 162 R C -3.026 172.727 176.300 -0.913 0.000 0.993 162 R CA -1.728 54.119 56.100 -0.422 0.000 0.931 162 R CB 1.216 31.384 30.300 -0.220 0.000 1.206 162 R HN -0.004 nan 8.270 nan 0.000 0.474 163 P HA 0.116 nan 4.420 nan 0.000 0.271 163 P C -2.352 174.609 177.300 -0.565 0.000 1.216 163 P CA -1.224 61.170 63.100 -1.177 0.000 0.776 163 P CB 0.111 31.228 31.700 -0.971 0.000 0.881 164 P HA 0.250 nan 4.420 nan 0.000 0.276 164 P C -0.296 176.826 177.300 -0.296 0.000 1.261 164 P CA -0.292 62.623 63.100 -0.309 0.000 0.800 164 P CB 0.834 32.381 31.700 -0.256 0.000 1.066 165 I N -2.574 117.832 120.570 -0.274 0.000 2.707 165 I HA 0.872 5.043 4.170 0.001 0.000 0.309 165 I C -0.110 175.844 176.117 -0.272 0.000 1.001 165 I CA -0.823 60.326 61.300 -0.252 0.000 1.129 165 I CB 1.965 39.851 38.000 -0.191 0.000 1.308 165 I HN 0.392 nan 8.210 nan 0.000 0.466 166 G N 2.743 111.405 108.800 -0.231 0.000 2.658 166 G HA2 0.702 4.663 3.960 0.001 0.000 0.292 166 G HA3 0.702 4.663 3.960 0.001 0.000 0.292 166 G C -1.826 173.012 174.900 -0.103 0.000 1.320 166 G CA -0.794 44.181 45.100 -0.208 0.000 0.933 166 G HN 0.858 nan 8.290 nan 0.000 0.476 167 E N -0.219 119.956 120.200 -0.041 0.000 2.263 167 E HA 0.554 4.904 4.350 0.001 0.000 0.268 167 E C -1.137 175.457 176.600 -0.010 0.000 0.884 167 E CA -1.018 55.347 56.400 -0.059 0.000 0.766 167 E CB 2.033 31.652 29.700 -0.136 0.000 1.196 167 E HN 0.724 nan 8.360 nan 0.000 0.416 168 H N 1.112 120.070 119.070 -0.187 0.000 2.980 168 H HA 0.326 4.882 4.556 0.001 0.000 0.367 168 H C -1.641 173.561 175.328 -0.210 0.000 1.206 168 H CA -1.452 54.504 56.048 -0.154 0.000 1.126 168 H CB 0.789 30.539 29.762 -0.021 0.000 1.838 168 H HN 0.687 nan 8.280 nan 0.000 0.552 169 W N 1.921 123.133 121.300 -0.148 0.000 2.433 169 W HA 0.484 5.144 4.660 0.001 0.000 0.331 169 W C 0.734 177.151 176.519 -0.170 0.000 1.110 169 W CA -0.194 57.046 57.345 -0.174 0.000 1.450 169 W CB 1.066 30.470 29.460 -0.093 0.000 1.348 169 W HN 0.792 nan 8.180 nan 0.000 0.415 170 G N 2.382 111.150 108.800 -0.053 0.000 2.531 170 G HA2 0.314 4.274 3.960 0.001 0.000 0.313 170 G HA3 0.314 4.274 3.960 0.001 0.000 0.313 170 G C -1.136 173.805 174.900 0.069 0.000 1.238 170 G CA -1.018 44.092 45.100 0.016 0.000 0.994 170 G HN 0.315 nan 8.290 nan 0.000 0.493 171 K N 0.326 120.759 120.400 0.056 0.000 2.292 171 K HA 0.416 4.736 4.320 0.001 0.000 0.290 171 K C 0.652 177.271 176.600 0.032 0.000 1.083 171 K CA -0.270 56.040 56.287 0.039 0.000 0.918 171 K CB -0.023 32.497 32.500 0.033 0.000 1.089 171 K HN 0.476 nan 8.250 nan 0.000 0.473 172 G N 2.313 111.131 108.800 0.030 0.000 2.537 172 G HA2 0.180 4.140 3.960 0.001 0.000 0.273 172 G HA3 0.180 4.140 3.960 0.001 0.000 0.273 172 G C -0.710 174.200 174.900 0.016 0.000 1.189 172 G CA -0.567 44.548 45.100 0.025 0.000 0.881 172 G HN 0.591 nan 8.290 nan 0.000 0.535 173 T N 2.832 117.394 114.554 0.013 0.000 2.806 173 T HA 0.463 4.814 4.350 0.001 0.000 0.290 173 T C -1.633 173.071 174.700 0.008 0.000 0.966 173 T CA -0.630 61.476 62.100 0.009 0.000 1.060 173 T CB 1.454 70.327 68.868 0.008 0.000 0.927 173 T HN 0.520 nan 8.240 nan 0.000 0.485 174 P HA 0.183 nan 4.420 nan 0.000 0.270 174 P C 0.202 177.504 177.300 0.003 0.000 1.223 174 P CA -0.459 62.643 63.100 0.003 0.000 0.785 174 P CB 0.572 32.273 31.700 0.001 0.000 0.923 175 S N 0.762 116.464 115.700 0.003 0.000 2.625 175 S HA 0.067 4.537 4.470 0.001 0.000 0.262 175 S C 0.588 175.189 174.600 0.002 0.000 1.223 175 S CA -0.723 57.478 58.200 0.003 0.000 0.993 175 S CB -0.075 63.127 63.200 0.003 0.000 1.051 175 S HN 0.574 nan 8.310 nan 0.000 0.562 176 N N 1.289 119.990 118.700 0.001 0.000 2.406 176 N HA 0.413 5.153 4.740 0.001 0.000 0.269 176 N C -0.056 175.454 175.510 0.000 0.000 1.210 176 N CA 0.601 53.651 53.050 0.001 0.000 0.966 176 N CB -0.130 38.357 38.487 0.001 0.000 1.293 176 N HN 0.773 nan 8.380 nan 0.000 0.491 177 A N 3.804 126.624 122.820 -0.000 0.000 2.526 177 A HA 0.193 4.513 4.320 0.001 0.000 0.127 177 A C -0.638 176.945 177.584 -0.001 0.000 1.505 177 A CA -0.472 51.565 52.037 -0.001 0.000 2.747 177 A CB 0.001 19.001 19.000 -0.001 0.000 2.990 177 A HN 0.525 nan 8.150 nan 0.000 1.270 178 N N 1.126 119.825 118.700 -0.001 0.000 2.424 178 N HA 0.404 5.145 4.740 0.001 0.000 0.257 178 N C -0.210 175.299 175.510 -0.002 0.000 1.250 178 N CA -0.123 52.926 53.050 -0.002 0.000 0.946 178 N CB 0.390 38.876 38.487 -0.002 0.000 1.175 178 N HN 0.548 nan 8.380 nan 0.000 0.477 179 Q N 1.419 121.218 119.800 -0.002 0.000 2.377 179 Q HA 0.163 4.504 4.340 0.001 0.000 0.249 179 Q C -0.927 175.072 176.000 -0.002 0.000 1.005 179 Q CA -0.531 55.271 55.803 -0.002 0.000 0.912 179 Q CB 0.501 29.238 28.738 -0.001 0.000 1.223 179 Q HN 0.457 nan 8.270 nan 0.000 0.459 180 V N 6.705 126.617 119.914 -0.003 0.000 2.248 180 V HA -0.118 4.002 4.120 0.001 0.000 0.230 180 V C 0.969 177.061 176.094 -0.004 0.000 1.383 180 V CA 0.285 62.582 62.300 -0.004 0.000 1.442 180 V CB -1.714 30.106 31.823 -0.004 0.000 1.472 180 V HN 0.594 nan 8.190 nan 0.000 0.490 181 K N 2.395 122.793 120.400 -0.004 0.000 2.344 181 K HA 0.303 4.624 4.320 0.001 0.000 0.260 181 K C 0.341 176.938 176.600 -0.005 0.000 0.988 181 K CA 0.261 56.546 56.287 -0.004 0.000 0.909 181 K CB 0.523 33.021 32.500 -0.003 0.000 0.968 181 K HN 0.431 nan 8.250 nan 0.000 0.505 182 A N 0.482 123.299 122.820 -0.004 0.000 2.546 182 A HA 0.387 4.707 4.320 0.001 0.000 0.243 182 A C 1.240 178.821 177.584 -0.007 0.000 1.063 182 A CA 0.819 52.853 52.037 -0.005 0.000 0.757 182 A CB -0.955 18.043 19.000 -0.005 0.000 0.991 182 A HN 1.180 nan 8.150 nan 0.000 0.503 183 G N 1.513 110.308 108.800 -0.008 0.000 2.541 183 G HA2 -0.134 3.826 3.960 0.001 0.000 0.201 183 G HA3 -0.134 3.826 3.960 0.001 0.000 0.201 183 G C 0.213 175.105 174.900 -0.012 0.000 1.026 183 G CA 0.092 45.186 45.100 -0.010 0.000 0.687 183 G HN 0.720 nan 8.290 nan 0.000 0.492 184 E N 0.340 120.533 120.200 -0.011 0.000 2.410 184 E HA 0.394 4.744 4.350 0.001 0.000 0.255 184 E C 0.479 177.068 176.600 -0.017 0.000 1.194 184 E CA -0.124 56.268 56.400 -0.013 0.000 0.955 184 E CB 1.037 30.731 29.700 -0.011 0.000 0.988 184 E HN 0.582 nan 8.360 nan 0.000 0.461 185 C N 3.845 123.133 119.300 -0.021 0.000 2.307 185 C HA 0.464 4.925 4.460 0.001 0.000 0.340 185 C C -2.085 172.889 174.990 -0.026 0.000 1.275 185 C CA -1.689 57.312 59.018 -0.027 0.000 1.811 185 C CB -0.194 27.525 27.740 -0.035 0.000 2.372 185 C HN 0.422 nan 8.230 nan 0.000 0.531 186 P HA 0.292 nan 4.420 nan 0.000 0.271 186 P C -2.681 174.606 177.300 -0.023 0.000 1.216 186 P CA -0.839 62.250 63.100 -0.017 0.000 0.776 186 P CB 0.475 32.169 31.700 -0.010 0.000 0.881 187 P HA 0.125 nan 4.420 nan 0.000 0.276 187 P C -0.127 177.171 177.300 -0.002 0.000 1.235 187 P CA -0.199 62.891 63.100 -0.017 0.000 0.772 187 P CB 0.677 32.373 31.700 -0.006 0.000 0.871 188 L N 2.119 123.330 121.223 -0.020 0.000 2.479 188 L HA 0.407 4.748 4.340 0.001 0.000 0.248 188 L C 0.939 177.899 176.870 0.150 0.000 1.205 188 L CA 0.251 55.114 54.840 0.037 0.000 0.817 188 L CB -0.487 41.520 42.059 -0.087 0.000 1.162 188 L HN 0.615 nan 8.230 nan 0.000 0.486 189 E N 0.764 121.126 120.200 0.270 0.000 2.343 189 E HA 0.216 4.567 4.350 0.001 0.000 0.286 189 E C -1.792 174.875 176.600 0.112 0.000 0.915 189 E CA -0.774 55.754 56.400 0.212 0.000 0.784 189 E CB 2.119 31.863 29.700 0.073 0.000 1.251 189 E HN 0.350 nan 8.360 nan 0.000 0.407 190 L N 5.347 126.504 121.223 -0.110 0.000 2.433 190 L HA 0.327 4.667 4.340 0.001 0.000 0.275 190 L C -1.266 175.392 176.870 -0.353 0.000 1.128 190 L CA 0.363 54.856 54.840 -0.578 0.000 0.875 190 L CB 0.279 41.908 42.059 -0.717 0.000 1.171 190 L HN 0.529 nan 8.230 nan 0.000 0.463 191 L N 5.283 126.243 121.223 -0.439 0.000 2.329 191 L HA 0.512 4.852 4.340 0.001 0.000 0.279 191 L C -0.191 176.559 176.870 -0.202 0.000 1.014 191 L CA -0.634 54.027 54.840 -0.299 0.000 0.814 191 L CB 1.487 43.328 42.059 -0.364 0.000 1.257 191 L HN 0.539 nan 8.230 nan 0.000 0.424 192 N N 0.917 119.551 118.700 -0.111 0.000 2.456 192 N HA 0.518 5.259 4.740 0.001 0.000 0.288 192 N C -0.568 174.927 175.510 -0.026 0.000 1.059 192 N CA -0.143 52.861 53.050 -0.077 0.000 0.946 192 N CB 2.026 40.462 38.487 -0.084 0.000 1.150 192 N HN 0.613 nan 8.380 nan 0.000 0.479 193 T N -0.370 114.162 114.554 -0.037 0.000 2.900 193 T HA 0.475 4.825 4.350 0.001 0.000 0.303 193 T C -1.019 173.592 174.700 -0.149 0.000 1.142 193 T CA -0.587 61.484 62.100 -0.048 0.000 1.007 193 T CB 0.813 69.680 68.868 -0.001 0.000 1.156 193 T HN 0.017 nan 8.240 nan 0.000 0.490 194 V N 4.391 124.177 119.914 -0.214 0.000 2.607 194 V HA 0.406 4.526 4.120 0.001 0.000 0.289 194 V C 0.459 176.387 176.094 -0.277 0.000 1.053 194 V CA -0.735 61.373 62.300 -0.321 0.000 0.996 194 V CB 1.244 32.697 31.823 -0.618 0.000 0.995 194 V HN 0.789 nan 8.190 nan 0.000 0.476 195 L N 5.325 126.380 121.223 -0.280 0.000 2.361 195 L HA 0.354 4.695 4.340 0.001 0.000 0.278 195 L C 0.145 176.957 176.870 -0.097 0.000 1.113 195 L CA 0.265 54.909 54.840 -0.327 0.000 0.849 195 L CB 0.620 42.440 42.059 -0.399 0.000 1.155 195 L HN 0.703 nan 8.230 nan 0.000 0.452 196 Q N 2.393 122.164 119.800 -0.049 0.000 2.394 196 Q HA 0.202 4.543 4.340 0.001 0.000 0.273 196 Q C -0.921 175.166 176.000 0.145 0.000 1.089 196 Q CA -0.891 55.014 55.803 0.169 0.000 0.812 196 Q CB 2.737 31.488 28.738 0.021 0.000 1.353 196 Q HN 0.511 nan 8.270 nan 0.000 0.438 197 D N 0.260 120.810 120.400 0.250 0.000 2.487 197 D HA 0.020 4.660 4.640 0.001 0.000 0.243 197 D C 0.537 176.905 176.300 0.113 0.000 1.154 197 D CA 1.883 55.975 54.000 0.154 0.000 0.876 197 D CB 0.539 41.442 40.800 0.172 0.000 1.161 197 D HN 0.803 nan 8.370 nan 0.000 0.478 198 G N 3.918 112.794 108.800 0.126 0.000 2.253 198 G HA2 -0.200 3.760 3.960 0.001 0.000 0.209 198 G HA3 -0.200 3.760 3.960 0.001 0.000 0.209 198 G C 0.203 175.178 174.900 0.125 0.000 0.997 198 G CA 0.007 45.172 45.100 0.109 0.000 0.640 198 G HN 0.616 nan 8.290 nan 0.000 0.496 199 D N 1.339 121.819 120.400 0.134 0.000 2.364 199 D HA 0.387 5.028 4.640 0.001 0.000 0.236 199 D C 0.999 177.491 176.300 0.320 0.000 1.221 199 D CA 0.473 54.561 54.000 0.147 0.000 0.891 199 D CB 0.320 41.090 40.800 -0.049 0.000 1.190 199 D HN 0.105 nan 8.370 nan 0.000 0.449 200 M N 0.818 120.581 119.600 0.272 0.000 2.404 200 M HA 0.262 4.742 4.480 0.001 0.000 0.338 200 M C -0.153 176.394 176.300 0.411 0.000 1.150 200 M CA -1.068 54.405 55.300 0.288 0.000 1.016 200 M CB 1.395 34.102 32.600 0.178 0.000 1.672 200 M HN 0.081 nan 8.290 nan 0.000 0.448 201 V N -0.040 120.034 119.914 0.267 0.000 2.863 201 V HA 0.395 4.515 4.120 0.001 0.000 0.307 201 V C 0.343 176.569 176.094 0.219 0.000 1.061 201 V CA -1.158 61.267 62.300 0.209 0.000 1.024 201 V CB 0.848 32.631 31.823 -0.066 0.000 1.049 201 V HN 0.926 nan 8.190 nan 0.000 0.471 202 D N 1.217 121.783 120.400 0.277 0.000 2.472 202 D HA -0.030 4.610 4.640 0.001 0.000 0.237 202 D C 0.755 177.134 176.300 0.132 0.000 1.141 202 D CA 0.602 54.757 54.000 0.257 0.000 0.875 202 D CB 1.558 42.548 40.800 0.316 0.000 1.192 202 D HN 0.923 nan 8.370 nan 0.000 0.450 203 T N -2.021 112.557 114.554 0.039 0.000 3.084 203 T HA 0.434 4.784 4.350 0.001 0.000 0.270 203 T C 1.203 175.875 174.700 -0.046 0.000 1.008 203 T CA 0.189 62.187 62.100 -0.170 0.000 0.900 203 T CB 0.029 68.302 68.868 -0.990 0.000 1.084 203 T HN 0.882 nan 8.240 nan 0.000 0.538 204 G N 0.723 109.565 108.800 0.069 0.000 2.151 204 G HA2 -0.105 3.855 3.960 0.001 0.000 0.140 204 G HA3 -0.105 3.855 3.960 0.001 0.000 0.140 204 G C 0.007 174.848 174.900 -0.099 0.000 1.020 204 G CA -0.271 44.813 45.100 -0.027 0.000 0.688 204 G HN 0.463 nan 8.290 nan 0.000 0.500 205 F N 1.448 121.465 119.950 0.113 0.000 2.735 205 F HA 0.509 5.036 4.527 0.001 0.000 0.308 205 F C 1.443 177.371 175.800 0.213 0.000 1.112 205 F CA 0.451 58.574 58.000 0.205 0.000 1.235 205 F CB 1.082 40.258 39.000 0.294 0.000 1.027 205 F HN 0.789 nan 8.300 nan 0.000 0.528 206 G N 1.111 110.099 108.800 0.312 0.000 2.819 206 G HA2 0.020 3.980 3.960 0.001 0.000 0.682 206 G HA3 0.020 3.980 3.960 0.001 0.000 0.682 206 G C -0.031 175.038 174.900 0.281 0.000 1.481 206 G CA -0.668 44.582 45.100 0.250 0.000 0.904 206 G HN 0.670 nan 8.290 nan 0.000 0.563 207 A N 1.603 124.580 122.820 0.261 0.000 2.785 207 A HA 0.584 4.904 4.320 0.001 0.000 0.294 207 A C 0.934 178.678 177.584 0.267 0.000 1.597 207 A CA 1.284 53.486 52.037 0.276 0.000 1.283 207 A CB -0.866 18.290 19.000 0.261 0.000 1.088 207 A HN 1.872 nan 8.150 nan 0.000 0.568 208 M N -0.006 119.689 119.600 0.160 0.000 2.803 208 M HA 0.733 5.214 4.480 0.001 0.000 0.283 208 M C -1.376 174.967 176.300 0.071 0.000 1.149 208 M CA -0.778 54.565 55.300 0.071 0.000 0.852 208 M CB 1.359 33.859 32.600 -0.167 0.000 1.731 208 M HN 0.213 nan 8.290 nan 0.000 0.483 209 D N 0.165 120.561 120.400 -0.006 0.000 2.346 209 D HA 0.346 4.986 4.640 0.001 0.000 0.255 209 D C -0.442 175.859 176.300 0.001 0.000 1.276 209 D CA -0.464 53.592 54.000 0.094 0.000 0.941 209 D CB 0.470 41.380 40.800 0.184 0.000 1.199 209 D HN 0.539 nan 8.370 nan 0.000 0.537 210 F N 1.047 121.027 119.950 0.051 0.000 2.202 210 F HA -0.161 4.366 4.527 0.001 0.000 0.301 210 F C 2.601 178.405 175.800 0.007 0.000 1.082 210 F CA 1.579 59.587 58.000 0.013 0.000 1.313 210 F CB -0.723 38.265 39.000 -0.020 0.000 1.024 210 F HN 0.349 nan 8.300 nan 0.000 0.495 211 T N -2.438 112.225 114.554 0.182 0.000 2.674 211 T HA -0.212 4.139 4.350 0.001 0.000 0.265 211 T C 1.976 176.716 174.700 0.067 0.000 1.039 211 T CA 1.939 64.099 62.100 0.101 0.000 1.150 211 T CB -1.195 67.720 68.868 0.078 0.000 0.864 211 T HN 0.417 nan 8.240 nan 0.000 0.427 212 T N -0.535 114.055 114.554 0.060 0.000 3.035 212 T HA 0.239 4.589 4.350 0.001 0.000 0.259 212 T C 1.702 176.416 174.700 0.022 0.000 1.078 212 T CA 0.039 62.163 62.100 0.040 0.000 1.132 212 T CB -0.313 68.584 68.868 0.048 0.000 0.900 212 T HN 0.131 nan 8.240 nan 0.000 0.480 213 L N 0.608 121.838 121.223 0.010 0.000 2.477 213 L HA 0.400 4.740 4.340 0.001 0.000 0.220 213 L C 0.867 177.724 176.870 -0.022 0.000 1.106 213 L CA 0.915 55.743 54.840 -0.020 0.000 0.851 213 L CB -0.291 41.731 42.059 -0.061 0.000 0.994 213 L HN 0.352 nan 8.230 nan 0.000 0.462 214 Q N -1.174 118.630 119.800 0.006 0.000 2.523 214 Q HA 0.410 4.750 4.340 0.001 0.000 0.251 214 Q C 0.892 176.897 176.000 0.008 0.000 1.033 214 Q CA 0.041 55.849 55.803 0.008 0.000 0.746 214 Q CB 1.579 30.344 28.738 0.046 0.000 1.189 214 Q HN 0.185 nan 8.270 nan 0.000 0.508 215 A N 2.903 125.719 122.820 -0.005 0.000 1.902 215 A HA -0.220 4.100 4.320 0.001 0.000 0.217 215 A C 1.700 179.279 177.584 -0.008 0.000 1.181 215 A CA 1.935 53.970 52.037 -0.003 0.000 0.623 215 A CB -0.314 18.680 19.000 -0.009 0.000 0.818 215 A HN 0.782 nan 8.150 nan 0.000 0.443 216 N N 0.964 119.649 118.700 -0.025 0.000 2.573 216 N HA -0.198 4.542 4.740 0.001 0.000 0.187 216 N C 0.561 176.052 175.510 -0.031 0.000 1.107 216 N CA 1.231 54.260 53.050 -0.035 0.000 0.918 216 N CB -0.742 37.708 38.487 -0.062 0.000 0.966 216 N HN 0.713 nan 8.380 nan 0.000 0.448 217 K N -0.532 119.856 120.400 -0.018 0.000 3.415 217 K HA -0.203 4.118 4.320 0.001 0.000 0.271 217 K C -0.803 175.780 176.600 -0.029 0.000 0.876 217 K CA 1.028 57.316 56.287 0.002 0.000 0.670 217 K CB -2.197 30.326 32.500 0.037 0.000 1.510 217 K HN 0.183 nan 8.250 nan 0.000 0.455 218 S N 0.388 115.969 115.700 -0.198 0.000 3.067 218 S HA 0.050 4.520 4.470 0.001 0.000 0.253 218 S C -0.886 173.362 174.600 -0.586 0.000 0.942 218 S CA -0.018 57.877 58.200 -0.507 0.000 1.197 218 S CB 0.519 63.542 63.200 -0.294 0.000 1.143 218 S HN 0.680 nan 8.310 nan 0.000 0.638 219 D N 1.384 121.545 120.400 -0.400 0.000 2.938 219 D HA 0.427 5.068 4.640 0.001 0.000 0.369 219 D C -0.344 175.701 176.300 -0.424 0.000 1.301 219 D CA -0.615 53.136 54.000 -0.415 0.000 0.805 219 D CB 0.255 40.819 40.800 -0.393 0.000 1.161 219 D HN 0.119 nan 8.370 nan 0.000 0.474 220 V N -4.467 115.196 119.914 -0.419 0.000 3.036 220 V HA 0.494 4.614 4.120 0.001 0.000 0.280 220 V C -3.068 172.900 176.094 -0.210 0.000 1.497 220 V CA -1.930 60.070 62.300 -0.500 0.000 0.982 220 V CB 1.582 33.011 31.823 -0.656 0.000 1.171 220 V HN -0.194 nan 8.190 nan 0.000 0.444 221 P HA 0.195 nan 4.420 nan 0.000 0.269 221 P C 1.158 178.429 177.300 -0.049 0.000 1.217 221 P CA -0.193 62.889 63.100 -0.030 0.000 0.783 221 P CB 0.462 32.153 31.700 -0.016 0.000 0.898 222 L N 1.751 122.931 121.223 -0.073 0.000 2.042 222 L HA -0.193 4.147 4.340 0.001 0.000 0.210 222 L C 1.769 178.645 176.870 0.010 0.000 1.076 222 L CA 2.331 57.159 54.840 -0.020 0.000 0.749 222 L CB -2.016 40.051 42.059 0.013 0.000 0.893 222 L HN 0.481 nan 8.230 nan 0.000 0.432 223 D N 0.620 121.023 120.400 0.005 0.000 2.315 223 D HA -0.239 4.402 4.640 0.001 0.000 0.211 223 D C 1.716 178.039 176.300 0.039 0.000 0.977 223 D CA 1.639 55.699 54.000 0.099 0.000 0.894 223 D CB -0.374 40.542 40.800 0.194 0.000 0.910 223 D HN 0.673 nan 8.370 nan 0.000 0.490 224 I N -2.856 117.660 120.570 -0.090 0.000 4.592 224 I HA 0.198 4.369 4.170 0.001 0.000 0.329 224 I C 1.972 177.835 176.117 -0.423 0.000 1.309 224 I CA -0.160 60.972 61.300 -0.280 0.000 1.243 224 I CB -0.132 37.535 38.000 -0.556 0.000 1.241 224 I HN 0.155 nan 8.210 nan 0.000 0.434 225 C N 2.085 121.199 119.300 -0.310 0.000 2.403 225 C HA -0.076 4.384 4.460 0.001 0.000 0.282 225 C C 2.339 177.323 174.990 -0.011 0.000 1.297 225 C CA 1.260 60.166 59.018 -0.186 0.000 1.785 225 C CB -1.564 26.152 27.740 -0.039 0.000 1.963 225 C HN 0.752 nan 8.230 nan 0.000 0.507 226 S N -0.185 115.522 115.700 0.012 0.000 2.741 226 S HA 0.483 4.953 4.470 0.001 0.000 0.247 226 S C 0.078 174.720 174.600 0.070 0.000 1.050 226 S CA 0.100 58.334 58.200 0.058 0.000 1.025 226 S CB -0.133 63.092 63.200 0.041 0.000 0.897 226 S HN 0.710 nan 8.310 nan 0.000 0.508 227 S N 0.736 116.485 115.700 0.083 0.000 2.810 227 S HA 0.645 5.115 4.470 0.001 0.000 0.315 227 S C -0.648 174.071 174.600 0.198 0.000 1.138 227 S CA -0.978 57.282 58.200 0.100 0.000 0.889 227 S CB 0.638 63.880 63.200 0.070 0.000 1.236 227 S HN 0.381 nan 8.310 nan 0.000 0.548 228 I N 1.274 121.910 120.570 0.109 0.000 2.315 228 I HA 0.279 4.449 4.170 0.001 0.000 0.291 228 I C -0.780 175.421 176.117 0.140 0.000 1.006 228 I CA -0.347 60.998 61.300 0.074 0.000 1.265 228 I CB 0.543 38.413 38.000 -0.218 0.000 1.387 228 I HN 0.470 nan 8.210 nan 0.000 0.475 229 C N 6.790 126.264 119.300 0.291 0.000 2.285 229 C HA 0.377 4.837 4.460 0.001 0.000 0.335 229 C C 0.453 175.590 174.990 0.245 0.000 1.267 229 C CA -0.772 58.421 59.018 0.292 0.000 1.762 229 C CB -0.264 27.717 27.740 0.402 0.000 2.365 229 C HN 0.695 nan 8.230 nan 0.000 0.527 230 K N 1.919 122.450 120.400 0.220 0.000 2.185 230 K HA 0.592 4.912 4.320 0.001 0.000 0.240 230 K C -1.289 175.497 176.600 0.310 0.000 0.983 230 K CA -0.575 55.812 56.287 0.167 0.000 0.873 230 K CB 1.674 34.122 32.500 -0.087 0.000 1.118 230 K HN 0.640 nan 8.250 nan 0.000 0.441 231 Y N 1.049 121.412 120.300 0.105 0.000 2.346 231 Y HA 0.274 4.824 4.550 0.001 0.000 0.332 231 Y C -2.647 173.227 175.900 -0.042 0.000 0.985 231 Y CA -2.384 55.790 58.100 0.123 0.000 1.112 231 Y CB 1.826 40.355 38.460 0.114 0.000 1.170 231 Y HN 0.399 nan 8.280 nan 0.000 0.447 232 P HA -0.105 nan 4.420 nan 0.000 0.256 232 P C -0.423 176.505 177.300 -0.619 0.000 1.173 232 P CA 0.609 63.247 63.100 -0.769 0.000 0.768 232 P CB 0.396 31.272 31.700 -1.374 0.000 0.758 233 D N 3.268 123.475 120.400 -0.322 0.000 2.669 233 D HA -0.078 4.563 4.640 0.001 0.000 0.229 233 D C 0.761 176.959 176.300 -0.169 0.000 1.092 233 D CA 0.394 54.302 54.000 -0.154 0.000 1.175 233 D CB -0.360 40.362 40.800 -0.130 0.000 1.133 233 D HN 0.374 nan 8.370 nan 0.000 0.471 234 Y N 0.724 120.972 120.300 -0.086 0.000 2.114 234 Y HA -0.264 4.286 4.550 0.001 0.000 0.282 234 Y C 2.446 178.278 175.900 -0.115 0.000 1.165 234 Y CA 0.782 58.777 58.100 -0.174 0.000 1.148 234 Y CB -0.144 38.216 38.460 -0.167 0.000 0.972 234 Y HN 0.271 nan 8.280 nan 0.000 0.504 235 L N 0.066 121.371 121.223 0.137 0.000 2.021 235 L HA -0.335 4.006 4.340 0.001 0.000 0.215 235 L C 2.574 179.462 176.870 0.030 0.000 1.074 235 L CA 1.876 56.760 54.840 0.073 0.000 0.760 235 L CB -0.458 41.642 42.059 0.068 0.000 0.889 235 L HN 0.228 nan 8.230 nan 0.000 0.433 236 K N -0.107 120.292 120.400 -0.002 0.000 1.973 236 K HA -0.176 4.144 4.320 0.001 0.000 0.210 236 K C 2.192 178.779 176.600 -0.022 0.000 1.045 236 K CA 1.484 57.760 56.287 -0.019 0.000 0.937 236 K CB -0.130 32.343 32.500 -0.044 0.000 0.721 236 K HN 0.102 nan 8.250 nan 0.000 0.438 237 M N 0.416 119.981 119.600 -0.057 0.000 2.146 237 M HA -0.242 4.239 4.480 0.001 0.000 0.256 237 M C 2.126 178.421 176.300 -0.007 0.000 1.075 237 M CA 1.477 56.741 55.300 -0.060 0.000 1.082 237 M CB -0.358 32.161 32.600 -0.134 0.000 1.355 237 M HN 0.069 nan 8.290 nan 0.000 0.402 238 V N -1.064 118.854 119.914 0.007 0.000 2.346 238 V HA -0.158 3.962 4.120 0.001 0.000 0.244 238 V C 2.070 178.208 176.094 0.074 0.000 1.037 238 V CA 1.722 64.053 62.300 0.051 0.000 1.029 238 V CB -0.214 31.645 31.823 0.061 0.000 0.663 238 V HN 0.370 nan 8.190 nan 0.000 0.454 239 S N -0.320 115.413 115.700 0.055 0.000 2.653 239 S HA -0.062 4.409 4.470 0.001 0.000 0.233 239 S C 0.814 175.449 174.600 0.059 0.000 0.970 239 S CA 0.178 58.412 58.200 0.058 0.000 0.947 239 S CB -0.584 62.638 63.200 0.037 0.000 0.771 239 S HN 0.693 nan 8.310 nan 0.000 0.538 240 E N 2.224 122.465 120.200 0.070 0.000 2.229 240 E HA 0.120 4.470 4.350 0.001 0.000 0.283 240 E C -1.643 175.013 176.600 0.093 0.000 1.030 240 E CA -2.032 54.408 56.400 0.067 0.000 0.836 240 E CB 1.075 30.817 29.700 0.070 0.000 1.068 240 E HN 0.053 nan 8.360 nan 0.000 0.401 241 P HA -0.222 nan 4.420 nan 0.000 0.218 241 P C 0.700 177.952 177.300 -0.081 0.000 1.152 241 P CA 1.569 64.614 63.100 -0.093 0.000 0.857 241 P CB -0.027 31.500 31.700 -0.289 0.000 0.787 242 Y N -0.479 119.891 120.300 0.116 0.000 2.301 242 Y HA 0.270 4.820 4.550 0.001 0.000 0.295 242 Y C 1.659 177.724 175.900 0.274 0.000 1.119 242 Y CA 0.677 58.877 58.100 0.167 0.000 1.162 242 Y CB -0.634 37.885 38.460 0.098 0.000 1.046 242 Y HN -0.017 nan 8.280 nan 0.000 0.538 243 G N 1.617 110.629 108.800 0.354 0.000 2.381 243 G HA2 -0.245 3.715 3.960 0.001 0.000 0.281 243 G HA3 -0.245 3.715 3.960 0.001 0.000 0.281 243 G C -0.174 174.926 174.900 0.333 0.000 0.984 243 G CA 0.565 45.841 45.100 0.294 0.000 1.339 243 G HN 0.387 nan 8.290 nan 0.000 0.485 244 D N 0.816 121.364 120.400 0.247 0.000 2.463 244 D HA 0.050 4.690 4.640 0.001 0.000 0.237 244 D C 2.438 178.722 176.300 -0.027 0.000 1.013 244 D CA 0.499 54.635 54.000 0.227 0.000 0.910 244 D CB -0.126 40.814 40.800 0.234 0.000 1.080 244 D HN 0.414 nan 8.370 nan 0.000 0.498 245 M N 0.572 120.144 119.600 -0.047 0.000 2.128 245 M HA -0.197 4.283 4.480 0.001 0.000 0.253 245 M C -0.102 176.062 176.300 -0.228 0.000 1.079 245 M CA 1.602 56.810 55.300 -0.154 0.000 1.082 245 M CB -0.017 32.519 32.600 -0.107 0.000 1.335 245 M HN 0.140 nan 8.290 nan 0.000 0.401 246 L N -4.257 116.856 121.223 -0.183 0.000 2.592 246 L HA 0.432 4.772 4.340 0.001 0.000 0.258 246 L C -1.004 175.864 176.870 -0.004 0.000 0.926 246 L CA -0.906 53.811 54.840 -0.204 0.000 0.885 246 L CB 0.705 42.703 42.059 -0.102 0.000 1.380 246 L HN 0.120 nan 8.230 nan 0.000 0.415 247 F N 1.246 121.340 119.950 0.239 0.000 2.772 247 F HA 0.778 5.305 4.527 0.001 0.000 0.316 247 F C -0.459 175.559 175.800 0.364 0.000 1.114 247 F CA -1.172 56.988 58.000 0.268 0.000 1.191 247 F CB 0.126 39.266 39.000 0.234 0.000 1.065 247 F HN 0.465 nan 8.300 nan 0.000 0.534 248 F N 1.830 122.023 119.950 0.404 0.000 2.714 248 F HA 0.522 5.049 4.527 0.001 0.000 0.313 248 F C -2.053 173.919 175.800 0.287 0.000 1.104 248 F CA -1.676 56.492 58.000 0.281 0.000 1.005 248 F CB 0.717 39.867 39.000 0.250 0.000 1.268 248 F HN 0.121 nan 8.300 nan 0.000 0.449 249 Y N 3.657 123.404 120.300 -0.921 0.000 2.677 249 Y HA 0.865 5.415 4.550 0.001 0.000 0.334 249 Y C -2.343 173.133 175.900 -0.706 0.000 1.196 249 Y CA -1.795 55.969 58.100 -0.559 0.000 1.059 249 Y CB 1.583 39.974 38.460 -0.115 0.000 1.315 249 Y HN 0.631 nan 8.280 nan 0.000 0.455 250 L N 2.030 123.083 121.223 -0.285 0.000 2.505 250 L HA 0.739 5.080 4.340 0.001 0.000 0.259 250 L C -1.297 175.525 176.870 -0.079 0.000 0.952 250 L CA -1.050 53.598 54.840 -0.320 0.000 0.840 250 L CB 2.786 44.625 42.059 -0.367 0.000 1.358 250 L HN 0.842 nan 8.230 nan 0.000 0.409 251 R N 1.046 121.492 120.500 -0.090 0.000 2.744 251 R HA 0.894 5.234 4.340 0.001 0.000 0.279 251 R C -0.812 175.459 176.300 -0.047 0.000 0.977 251 R CA -1.048 55.041 56.100 -0.018 0.000 0.906 251 R CB 2.320 32.581 30.300 -0.065 0.000 1.197 251 R HN 0.536 nan 8.270 nan 0.000 0.463 252 R N 1.403 121.892 120.500 -0.018 0.000 2.984 252 R HA 0.102 4.442 4.340 0.001 0.000 0.252 252 R C -1.350 174.962 176.300 0.020 0.000 1.842 252 R CA -0.299 55.788 56.100 -0.023 0.000 1.389 252 R CB 0.861 31.123 30.300 -0.065 0.000 1.454 252 R HN 0.904 nan 8.270 nan 0.000 0.578 253 E N 3.155 123.387 120.200 0.054 0.000 2.191 253 E HA 0.345 4.695 4.350 0.001 0.000 0.278 253 E C -1.027 175.621 176.600 0.079 0.000 0.972 253 E CA -0.807 55.647 56.400 0.090 0.000 0.804 253 E CB 1.909 31.702 29.700 0.154 0.000 1.110 253 E HN 0.563 nan 8.360 nan 0.000 0.394 254 Q N 3.222 123.073 119.800 0.085 0.000 2.565 254 Q HA 0.646 4.986 4.340 0.001 0.000 0.294 254 Q C -0.893 175.166 176.000 0.098 0.000 1.005 254 Q CA -1.184 54.672 55.803 0.088 0.000 0.771 254 Q CB 2.470 31.260 28.738 0.086 0.000 1.486 254 Q HN 0.688 nan 8.270 nan 0.000 0.422 255 M N 0.936 120.608 119.600 0.120 0.000 3.019 255 M HA 0.429 4.910 4.480 0.001 0.000 0.256 255 M C -2.181 174.219 176.300 0.167 0.000 0.911 255 M CA -0.482 54.867 55.300 0.082 0.000 0.794 255 M CB 1.473 34.091 32.600 0.029 0.000 1.643 255 M HN 0.946 nan 8.290 nan 0.000 0.572 256 F N 0.815 120.777 119.950 0.021 0.000 3.049 256 F HA 0.872 5.400 4.527 0.001 0.000 0.329 256 F C -1.407 174.387 175.800 -0.010 0.000 1.208 256 F CA -0.891 57.108 58.000 -0.001 0.000 0.956 256 F CB 0.517 39.514 39.000 -0.005 0.000 1.469 256 F HN 0.267 nan 8.300 nan 0.000 0.516 257 V N 1.865 121.967 119.914 0.313 0.000 2.288 257 V HA 0.436 4.556 4.120 0.001 0.000 0.266 257 V C 0.860 177.023 176.094 0.115 0.000 1.048 257 V CA -0.399 61.948 62.300 0.078 0.000 0.842 257 V CB 0.259 32.110 31.823 0.046 0.000 1.064 257 V HN 0.910 nan 8.190 nan 0.000 0.472 258 R N 3.072 123.547 120.500 -0.041 0.000 2.062 258 R HA 0.027 4.368 4.340 0.001 0.000 0.229 258 R C 0.564 176.937 176.300 0.121 0.000 1.128 258 R CA 1.698 57.882 56.100 0.139 0.000 0.960 258 R CB -0.079 30.306 30.300 0.143 0.000 0.855 258 R HN 0.796 nan 8.270 nan 0.000 0.432 259 H N -2.404 116.584 119.070 -0.137 0.000 3.043 259 H HA 0.583 5.139 4.556 0.001 0.000 0.302 259 H C -1.242 173.792 175.328 -0.490 0.000 1.506 259 H CA -0.674 55.168 56.048 -0.344 0.000 1.282 259 H CB 1.077 30.495 29.762 -0.574 0.000 1.914 259 H HN -0.016 nan 8.280 nan 0.000 0.625 260 L N 1.114 121.979 121.223 -0.595 0.000 2.439 260 L HA 0.463 4.804 4.340 0.001 0.000 0.270 260 L C -1.217 175.261 176.870 -0.653 0.000 0.972 260 L CA -0.186 54.359 54.840 -0.492 0.000 0.836 260 L CB 1.149 43.023 42.059 -0.307 0.000 1.255 260 L HN 0.341 nan 8.230 nan 0.000 0.404 261 F N 0.451 120.217 119.950 -0.307 0.000 2.712 261 F HA 0.504 5.031 4.527 0.001 0.000 0.367 261 F C 0.170 176.033 175.800 0.105 0.000 1.132 261 F CA -0.781 57.101 58.000 -0.197 0.000 1.066 261 F CB 1.772 40.495 39.000 -0.462 0.000 1.416 261 F HN 0.385 nan 8.300 nan 0.000 0.515 262 N N -0.056 118.941 118.700 0.494 0.000 2.240 262 N HA 0.395 5.136 4.740 0.001 0.000 0.302 262 N C -1.149 174.623 175.510 0.437 0.000 1.106 262 N CA -0.758 52.534 53.050 0.403 0.000 0.778 262 N CB 1.486 40.138 38.487 0.275 0.000 1.431 262 N HN 0.374 nan 8.380 nan 0.000 0.479 263 R N 0.779 121.453 120.500 0.289 0.000 2.549 263 R HA 0.635 4.975 4.340 0.001 0.000 0.259 263 R C -0.619 175.720 176.300 0.064 0.000 1.095 263 R CA -0.534 55.654 56.100 0.148 0.000 1.148 263 R CB 1.161 31.478 30.300 0.029 0.000 1.181 263 R HN 0.523 nan 8.270 nan 0.000 0.571 264 A N -0.516 122.311 122.820 0.012 0.000 2.356 264 A HA 0.768 5.089 4.320 0.001 0.000 0.323 264 A C -0.253 177.319 177.584 -0.020 0.000 1.119 264 A CA -0.100 51.938 52.037 0.001 0.000 0.790 264 A CB 1.672 20.669 19.000 -0.005 0.000 1.273 264 A HN 0.806 nan 8.150 nan 0.000 0.452 265 G N -0.142 108.649 108.800 -0.015 0.000 2.587 265 G HA2 0.406 4.366 3.960 0.001 0.000 0.686 265 G HA3 0.406 4.366 3.960 0.001 0.000 0.686 265 G C -0.098 174.790 174.900 -0.020 0.000 1.236 265 G CA -0.060 45.028 45.100 -0.020 0.000 0.820 265 G HN 2.271 nan 8.290 nan 0.000 0.645 266 T N -1.633 112.910 114.554 -0.017 0.000 2.934 266 T HA 0.421 4.771 4.350 0.001 0.000 0.306 266 T C 0.776 175.461 174.700 -0.024 0.000 1.042 266 T CA 0.131 62.221 62.100 -0.017 0.000 1.145 266 T CB 1.116 69.977 68.868 -0.012 0.000 0.982 266 T HN 1.657 nan 8.240 nan 0.000 0.544 267 V N 4.798 124.695 119.914 -0.028 0.000 2.439 267 V HA 0.351 4.471 4.120 0.001 0.000 0.271 267 V C 1.818 177.898 176.094 -0.024 0.000 1.040 267 V CA 0.179 62.459 62.300 -0.034 0.000 1.002 267 V CB -0.022 31.773 31.823 -0.046 0.000 1.000 267 V HN 1.186 nan 8.190 nan 0.000 0.477 268 G N 4.298 113.084 108.800 -0.024 0.000 2.453 268 G HA2 -0.141 3.820 3.960 0.001 0.000 0.215 268 G HA3 -0.141 3.820 3.960 0.001 0.000 0.215 268 G C 0.606 175.498 174.900 -0.014 0.000 1.201 268 G CA 0.109 45.198 45.100 -0.018 0.000 0.784 268 G HN 0.730 nan 8.290 nan 0.000 0.545 269 E N 1.795 121.986 120.200 -0.015 0.000 1.932 269 E HA 0.306 4.656 4.350 0.001 0.000 0.259 269 E C 0.117 176.715 176.600 -0.004 0.000 1.099 269 E CA -0.352 56.043 56.400 -0.009 0.000 0.970 269 E CB 0.260 29.953 29.700 -0.011 0.000 1.143 269 E HN 0.374 nan 8.360 nan 0.000 0.441 270 T N -1.438 113.117 114.554 0.002 0.000 2.908 270 T HA 0.001 4.351 4.350 0.001 0.000 0.325 270 T C 0.736 175.456 174.700 0.032 0.000 1.092 270 T CA -0.780 61.327 62.100 0.011 0.000 1.125 270 T CB 0.651 69.534 68.868 0.024 0.000 1.016 270 T HN 0.002 nan 8.240 nan 0.000 0.550 271 V N 4.203 124.146 119.914 0.048 0.000 2.572 271 V HA 0.204 4.325 4.120 0.001 0.000 0.291 271 V C -1.745 174.453 176.094 0.173 0.000 1.039 271 V CA -1.439 60.922 62.300 0.101 0.000 1.055 271 V CB -0.015 31.860 31.823 0.087 0.000 0.969 271 V HN 0.812 nan 8.190 nan 0.000 0.482 272 P HA 0.140 nan 4.420 nan 0.000 0.267 272 P C 0.496 177.841 177.300 0.074 0.000 1.209 272 P CA 0.066 63.215 63.100 0.080 0.000 0.763 272 P CB 0.889 32.619 31.700 0.051 0.000 0.816 273 A N 3.856 126.657 122.820 -0.032 0.000 2.121 273 A HA -0.127 4.194 4.320 0.001 0.000 0.218 273 A C 1.393 178.713 177.584 -0.439 0.000 1.154 273 A CA 1.177 53.030 52.037 -0.307 0.000 0.679 273 A CB -0.630 18.238 19.000 -0.219 0.000 0.795 273 A HN 0.623 nan 8.150 nan 0.000 0.458 274 D N -0.455 119.825 120.400 -0.199 0.000 2.336 274 D HA 0.021 4.661 4.640 0.001 0.000 0.229 274 D C 1.160 177.402 176.300 -0.097 0.000 1.061 274 D CA 0.164 54.076 54.000 -0.147 0.000 0.875 274 D CB -0.054 40.701 40.800 -0.075 0.000 0.904 274 D HN 0.478 nan 8.370 nan 0.000 0.525 275 L N -0.415 120.770 121.223 -0.063 0.000 2.640 275 L HA 0.151 4.491 4.340 0.001 0.000 0.230 275 L C -0.368 176.593 176.870 0.151 0.000 1.123 275 L CA -0.194 54.687 54.840 0.069 0.000 0.900 275 L CB 0.093 42.240 42.059 0.147 0.000 1.146 275 L HN 0.101 nan 8.230 nan 0.000 0.484 276 Y N -3.250 117.048 120.300 -0.004 0.000 2.592 276 Y HA 0.541 5.091 4.550 0.001 0.000 0.334 276 Y C -0.804 175.090 175.900 -0.010 0.000 1.136 276 Y CA -1.786 56.310 58.100 -0.007 0.000 1.042 276 Y CB 0.407 38.862 38.460 -0.009 0.000 1.325 276 Y HN -0.215 nan 8.280 nan 0.000 0.457 277 I N 3.664 124.252 120.570 0.030 0.000 2.529 277 I HA 0.150 4.320 4.170 0.001 0.000 0.284 277 I C 0.119 176.285 176.117 0.082 0.000 1.082 277 I CA -0.570 60.721 61.300 -0.015 0.000 1.406 277 I CB 0.657 38.664 38.000 0.011 0.000 1.405 277 I HN 0.436 nan 8.210 nan 0.000 0.548 278 K N 5.136 125.536 120.400 -0.000 0.000 2.361 278 K HA 0.074 4.394 4.320 0.001 0.000 0.283 278 K C 0.237 176.879 176.600 0.069 0.000 1.078 278 K CA -0.022 56.302 56.287 0.062 0.000 1.041 278 K CB 0.261 32.764 32.500 0.006 0.000 0.932 278 K HN 0.850 nan 8.250 nan 0.000 0.462 279 G N 2.909 111.772 108.800 0.104 0.000 2.394 279 G HA2 0.018 3.978 3.960 0.001 0.000 0.298 279 G HA3 0.018 3.978 3.960 0.001 0.000 0.298 279 G C 0.376 175.296 174.900 0.032 0.000 1.087 279 G CA -0.276 44.851 45.100 0.044 0.000 1.035 279 G HN 0.497 nan 8.290 nan 0.000 0.420 280 T N 1.870 116.442 114.554 0.030 0.000 2.854 280 T HA 0.164 4.515 4.350 0.001 0.000 0.336 280 T C 1.043 175.766 174.700 0.039 0.000 1.095 280 T CA 1.426 63.546 62.100 0.034 0.000 1.118 280 T CB -0.103 68.784 68.868 0.033 0.000 1.025 280 T HN 1.098 nan 8.240 nan 0.000 0.549 281 T N 1.504 116.093 114.554 0.058 0.000 3.460 281 T HA 0.143 4.493 4.350 0.001 0.000 0.416 281 T C -0.112 174.655 174.700 0.112 0.000 0.766 281 T CA 0.699 62.860 62.100 0.102 0.000 2.180 281 T CB -1.824 67.124 68.868 0.133 0.000 1.712 281 T HN 1.461 nan 8.240 nan 0.000 0.723 282 G N 0.108 108.965 108.800 0.095 0.000 2.402 282 G HA2 0.449 4.409 3.960 0.001 0.000 0.301 282 G HA3 0.449 4.409 3.960 0.001 0.000 0.301 282 G C -0.166 174.766 174.900 0.054 0.000 1.615 282 G CA -0.030 45.114 45.100 0.072 0.000 0.889 282 G HN 0.285 nan 8.290 nan 0.000 0.647 283 T N 1.248 115.841 114.554 0.064 0.000 3.176 283 T HA 0.401 4.751 4.350 0.001 0.000 0.263 283 T C 0.377 175.074 174.700 -0.004 0.000 1.021 283 T CA 0.307 62.429 62.100 0.038 0.000 0.905 283 T CB -0.444 68.452 68.868 0.046 0.000 1.057 283 T HN 1.673 nan 8.240 nan 0.000 0.558 284 L N 2.551 123.739 121.223 -0.059 0.000 2.794 284 L HA -0.088 4.252 4.340 0.001 0.000 0.613 284 L C -1.993 174.809 176.870 -0.113 0.000 1.002 284 L CA -0.673 54.075 54.840 -0.152 0.000 1.323 284 L CB -0.648 41.286 42.059 -0.208 0.000 1.787 284 L HN 0.125 nan 8.230 nan 0.000 0.859 285 P HA 0.066 nan 4.420 nan 0.000 0.272 285 P C -0.009 177.249 177.300 -0.070 0.000 1.243 285 P CA 0.014 63.102 63.100 -0.020 0.000 0.803 285 P CB 0.490 32.186 31.700 -0.008 0.000 0.974 286 S N -1.175 114.491 115.700 -0.056 0.000 2.584 286 S HA 0.168 4.639 4.470 0.001 0.000 0.270 286 S C 0.600 175.016 174.600 -0.307 0.000 1.346 286 S CA 0.299 58.420 58.200 -0.133 0.000 1.018 286 S CB -0.400 62.748 63.200 -0.087 0.000 0.899 286 S HN 0.524 nan 8.310 nan 0.000 0.542 287 T N 1.476 115.788 114.554 -0.404 0.000 3.130 287 T HA 0.142 4.492 4.350 0.001 0.000 0.288 287 T C -0.066 174.207 174.700 -0.712 0.000 0.936 287 T CA -0.067 61.631 62.100 -0.669 0.000 0.897 287 T CB 0.033 68.746 68.868 -0.259 0.000 1.178 287 T HN 0.688 nan 8.240 nan 0.000 0.543 288 S N 2.266 117.719 115.700 -0.412 0.000 2.681 288 S HA 0.497 4.967 4.470 0.001 0.000 0.313 288 S C -0.599 173.981 174.600 -0.034 0.000 1.137 288 S CA -0.745 57.364 58.200 -0.152 0.000 1.045 288 S CB -0.665 62.503 63.200 -0.053 0.000 1.208 288 S HN 0.347 nan 8.310 nan 0.000 0.523 289 Y N 2.385 122.792 120.300 0.178 0.000 2.419 289 Y HA 0.695 5.246 4.550 0.001 0.000 0.328 289 Y C -0.073 176.022 175.900 0.325 0.000 1.162 289 Y CA -1.607 56.628 58.100 0.226 0.000 1.174 289 Y CB 1.135 39.654 38.460 0.098 0.000 1.228 289 Y HN 0.730 nan 8.280 nan 0.000 0.473 290 F N 1.508 121.632 119.950 0.291 0.000 2.604 290 F HA 0.733 5.260 4.527 0.001 0.000 0.316 290 F C -3.528 172.387 175.800 0.192 0.000 1.136 290 F CA -2.530 55.598 58.000 0.214 0.000 0.989 290 F CB 1.916 41.076 39.000 0.266 0.000 1.258 290 F HN 0.143 nan 8.300 nan 0.000 0.451 291 P HA 0.336 nan 4.420 nan 0.000 0.285 291 P C -1.067 176.127 177.300 -0.176 0.000 1.269 291 P CA -0.344 62.636 63.100 -0.201 0.000 0.844 291 P CB 2.183 33.808 31.700 -0.127 0.000 1.094 292 T N 3.872 118.368 114.554 -0.096 0.000 2.743 292 T HA 0.382 4.732 4.350 0.001 0.000 0.292 292 T C -2.126 172.537 174.700 -0.062 0.000 0.972 292 T CA -1.303 60.811 62.100 0.023 0.000 0.967 292 T CB 0.747 69.712 68.868 0.162 0.000 0.926 292 T HN 0.385 nan 8.240 nan 0.000 0.459 293 P HA 0.388 nan 4.420 nan 0.000 0.279 293 P C -0.717 176.458 177.300 -0.209 0.000 1.282 293 P CA -0.632 62.376 63.100 -0.152 0.000 0.788 293 P CB 0.783 32.435 31.700 -0.080 0.000 1.139 294 S N -1.374 114.069 115.700 -0.428 0.000 2.545 294 S HA 0.436 4.906 4.470 0.001 0.000 0.259 294 S C 0.848 175.145 174.600 -0.504 0.000 1.092 294 S CA -0.267 57.553 58.200 -0.633 0.000 1.054 294 S CB -0.314 62.015 63.200 -1.452 0.000 1.146 294 S HN 0.546 nan 8.310 nan 0.000 0.447 295 G N 2.108 110.826 108.800 -0.136 0.000 2.598 295 G HA2 0.263 4.223 3.960 0.001 0.000 0.215 295 G HA3 0.263 4.223 3.960 0.001 0.000 0.215 295 G C 0.872 175.828 174.900 0.095 0.000 1.131 295 G CA 0.890 46.000 45.100 0.016 0.000 0.785 295 G HN 1.622 nan 8.290 nan 0.000 0.539 296 S N -1.540 114.238 115.700 0.131 0.000 4.143 296 S HA -0.273 4.198 4.470 0.001 0.000 0.624 296 S C 0.249 174.945 174.600 0.159 0.000 1.890 296 S CA 1.256 59.642 58.200 0.311 0.000 4.233 296 S CB -1.335 62.086 63.200 0.368 0.000 0.204 296 S HN 0.595 nan 8.310 nan 0.000 0.485 297 M N 1.908 121.582 119.600 0.124 0.000 2.465 297 M HA 0.627 5.107 4.480 0.001 0.000 0.316 297 M C -1.210 175.129 176.300 0.065 0.000 1.121 297 M CA -0.685 54.665 55.300 0.084 0.000 0.934 297 M CB 1.792 34.433 32.600 0.068 0.000 1.692 297 M HN 0.599 nan 8.290 nan 0.000 0.444 298 V N 1.374 121.320 119.914 0.052 0.000 2.427 298 V HA 0.878 4.998 4.120 0.001 0.000 0.286 298 V C -0.264 175.849 176.094 0.031 0.000 1.034 298 V CA -0.500 61.825 62.300 0.042 0.000 0.893 298 V CB 0.836 32.686 31.823 0.045 0.000 0.982 298 V HN 0.919 nan 8.190 nan 0.000 0.452 299 T N -0.378 114.190 114.554 0.023 0.000 2.923 299 T HA 0.391 4.741 4.350 0.001 0.000 0.311 299 T C 0.683 175.388 174.700 0.009 0.000 1.183 299 T CA 0.009 62.118 62.100 0.015 0.000 1.020 299 T CB 1.727 70.602 68.868 0.012 0.000 1.165 299 T HN 0.396 nan 8.240 nan 0.000 0.482 300 S N 1.146 116.850 115.700 0.007 0.000 2.387 300 S HA -0.142 4.329 4.470 0.001 0.000 0.230 300 S C 1.286 175.885 174.600 -0.002 0.000 1.035 300 S CA 2.280 60.483 58.200 0.004 0.000 1.014 300 S CB -0.578 62.624 63.200 0.003 0.000 0.836 300 S HN 0.891 nan 8.310 nan 0.000 0.466 301 D N 1.604 122.003 120.400 -0.003 0.000 2.123 301 D HA 0.076 4.716 4.640 0.001 0.000 0.200 301 D C 2.138 178.429 176.300 -0.014 0.000 0.976 301 D CA 0.958 54.954 54.000 -0.006 0.000 0.831 301 D CB -0.425 40.372 40.800 -0.004 0.000 0.974 301 D HN 0.369 nan 8.370 nan 0.000 0.469 302 A N 0.860 123.672 122.820 -0.014 0.000 2.009 302 A HA -0.237 4.083 4.320 0.001 0.000 0.222 302 A C 1.135 178.687 177.584 -0.054 0.000 1.175 302 A CA 1.122 53.144 52.037 -0.025 0.000 0.651 302 A CB -0.620 18.372 19.000 -0.013 0.000 0.815 302 A HN 0.156 nan 8.150 nan 0.000 0.459 303 Q N -0.359 119.410 119.800 -0.052 0.000 2.320 303 Q HA 0.001 4.341 4.340 0.001 0.000 0.311 303 Q C 0.847 176.772 176.000 -0.126 0.000 1.083 303 Q CA 0.309 56.059 55.803 -0.089 0.000 1.001 303 Q CB 0.562 29.282 28.738 -0.030 0.000 1.074 303 Q HN 0.693 nan 8.270 nan 0.000 0.379 304 I N 2.555 122.952 120.570 -0.289 0.000 3.226 304 I HA -0.002 4.168 4.170 0.001 0.000 0.277 304 I C 0.038 176.055 176.117 -0.166 0.000 1.243 304 I CA 0.288 61.418 61.300 -0.284 0.000 1.459 304 I CB 0.367 38.059 38.000 -0.514 0.000 1.093 304 I HN 0.372 nan 8.210 nan 0.000 0.453 305 F N 0.716 120.724 119.950 0.097 0.000 2.377 305 F HA 0.291 4.819 4.527 0.001 0.000 0.335 305 F C 1.411 177.164 175.800 -0.080 0.000 1.099 305 F CA -0.572 57.445 58.000 0.028 0.000 1.072 305 F CB 0.136 39.136 39.000 -0.000 0.000 1.417 305 F HN -0.039 nan 8.300 nan 0.000 0.495 306 N N -1.199 117.549 118.700 0.081 0.000 2.900 306 N HA -0.231 4.509 4.740 0.001 0.000 0.240 306 N C -1.237 174.185 175.510 -0.147 0.000 0.953 306 N CA 1.048 54.058 53.050 -0.067 0.000 0.950 306 N CB -1.099 37.372 38.487 -0.027 0.000 1.102 306 N HN 0.421 nan 8.380 nan 0.000 0.593 307 K N 0.194 120.454 120.400 -0.233 0.000 2.221 307 K HA 0.590 4.910 4.320 0.001 0.000 0.243 307 K C -2.746 173.445 176.600 -0.681 0.000 0.968 307 K CA -1.886 54.207 56.287 -0.324 0.000 0.846 307 K CB 1.494 33.897 32.500 -0.161 0.000 1.141 307 K HN -0.158 nan 8.250 nan 0.000 0.434 308 P HA 0.157 nan 4.420 nan 0.000 0.290 308 P C -1.407 175.338 177.300 -0.926 0.000 1.276 308 P CA -0.310 62.248 63.100 -0.903 0.000 0.808 308 P CB 0.387 31.590 31.700 -0.829 0.000 0.966 309 Y N 1.108 120.885 120.300 -0.870 0.000 2.377 309 Y HA 0.383 4.934 4.550 0.001 0.000 0.339 309 Y C -0.097 175.317 175.900 -0.811 0.000 1.011 309 Y CA -0.860 56.788 58.100 -0.754 0.000 1.093 309 Y CB 1.782 39.764 38.460 -0.797 0.000 1.201 309 Y HN 0.353 nan 8.280 nan 0.000 0.455 310 W N 5.350 126.590 121.300 -0.100 0.000 2.443 310 W HA 0.403 5.063 4.660 0.001 0.000 0.303 310 W C -0.655 175.794 176.519 -0.116 0.000 0.991 310 W CA -0.948 56.344 57.345 -0.089 0.000 1.522 310 W CB 0.865 30.322 29.460 -0.006 0.000 1.315 310 W HN 0.418 nan 8.180 nan 0.000 0.419 311 L N 1.668 122.877 121.223 -0.023 0.000 2.530 311 L HA 0.047 4.388 4.340 0.001 0.000 0.247 311 L C 1.757 178.670 176.870 0.072 0.000 1.416 311 L CA 0.103 54.952 54.840 0.015 0.000 1.202 311 L CB -0.496 41.542 42.059 -0.035 0.000 1.415 311 L HN 0.552 nan 8.230 nan 0.000 0.443 312 Q N 0.501 120.373 119.800 0.121 0.000 2.050 312 Q HA -0.083 4.258 4.340 0.001 0.000 0.202 312 Q C 0.362 176.403 176.000 0.068 0.000 0.980 312 Q CA 0.993 56.853 55.803 0.095 0.000 0.840 312 Q CB -0.114 28.676 28.738 0.087 0.000 0.898 312 Q HN 0.576 nan 8.270 nan 0.000 0.424 313 R N 0.132 120.680 120.500 0.081 0.000 2.599 313 R HA 0.626 4.966 4.340 0.001 0.000 0.295 313 R C -1.212 175.145 176.300 0.095 0.000 0.963 313 R CA 0.128 56.269 56.100 0.068 0.000 0.883 313 R CB 2.034 32.370 30.300 0.061 0.000 1.171 313 R HN 0.372 nan 8.270 nan 0.000 0.450 314 A N 1.634 124.503 122.820 0.083 0.000 2.287 314 A HA 0.215 4.536 4.320 0.001 0.000 0.273 314 A C 0.685 178.361 177.584 0.154 0.000 1.091 314 A CA -0.354 51.769 52.037 0.143 0.000 0.817 314 A CB 0.638 19.708 19.000 0.117 0.000 1.069 314 A HN 0.865 nan 8.150 nan 0.000 0.492 315 Q N 0.769 120.699 119.800 0.216 0.000 2.096 315 Q HA 0.219 4.560 4.340 0.001 0.000 0.197 315 Q C 1.034 177.105 176.000 0.118 0.000 0.964 315 Q CA 1.423 57.327 55.803 0.168 0.000 0.838 315 Q CB -0.660 28.213 28.738 0.225 0.000 0.906 315 Q HN 0.745 nan 8.270 nan 0.000 0.444 316 G N -0.785 108.116 108.800 0.170 0.000 2.714 316 G HA2 0.234 4.194 3.960 0.001 0.000 0.197 316 G HA3 0.234 4.194 3.960 0.001 0.000 0.197 316 G C -0.184 174.750 174.900 0.056 0.000 1.449 316 G CA -0.008 45.168 45.100 0.128 0.000 1.065 316 G HN 0.340 nan 8.290 nan 0.000 0.575 317 H N -0.889 118.324 119.070 0.238 0.000 2.451 317 H HA 0.145 4.702 4.556 0.001 0.000 0.294 317 H C 1.046 176.544 175.328 0.284 0.000 1.028 317 H CA 0.164 56.362 56.048 0.250 0.000 1.349 317 H CB 0.190 30.122 29.762 0.282 0.000 1.444 317 H HN 0.229 nan 8.280 nan 0.000 0.538 318 N N 1.753 120.731 118.700 0.462 0.000 2.475 318 N HA -0.083 4.657 4.740 0.001 0.000 0.267 318 N C -0.708 174.924 175.510 0.203 0.000 1.169 318 N CA 0.172 53.465 53.050 0.404 0.000 0.947 318 N CB 0.268 39.084 38.487 0.547 0.000 1.061 318 N HN 0.205 nan 8.380 nan 0.000 0.466 319 N N 2.342 121.065 118.700 0.038 0.000 3.194 319 N HA 0.209 4.949 4.740 0.001 0.000 0.271 319 N C -0.087 175.231 175.510 -0.320 0.000 1.308 319 N CA -0.069 52.921 53.050 -0.100 0.000 1.042 319 N CB -0.312 38.153 38.487 -0.037 0.000 1.310 319 N HN 0.737 nan 8.380 nan 0.000 0.502 320 G N 2.245 110.558 108.800 -0.811 0.000 2.372 320 G HA2 -0.219 3.741 3.960 0.001 0.000 0.297 320 G HA3 -0.219 3.741 3.960 0.001 0.000 0.297 320 G C -0.192 174.423 174.900 -0.475 0.000 1.005 320 G CA -0.011 44.395 45.100 -1.157 0.000 1.173 320 G HN 0.427 nan 8.290 nan 0.000 0.511 321 I N -0.179 120.192 120.570 -0.332 0.000 2.378 321 I HA 0.208 4.378 4.170 0.001 0.000 0.291 321 I C 0.977 176.909 176.117 -0.308 0.000 0.992 321 I CA -0.890 60.189 61.300 -0.368 0.000 1.154 321 I CB 1.567 39.195 38.000 -0.620 0.000 1.315 321 I HN 0.177 nan 8.210 nan 0.000 0.448 322 C N 5.049 124.226 119.300 -0.206 0.000 2.389 322 C HA 0.113 4.574 4.460 0.001 0.000 0.416 322 C C 0.541 175.478 174.990 -0.087 0.000 1.304 322 C CA -1.085 57.925 59.018 -0.012 0.000 1.675 322 C CB -2.512 25.285 27.740 0.095 0.000 1.989 322 C HN 0.633 nan 8.230 nan 0.000 0.591 323 W N 0.641 122.037 121.300 0.160 0.000 2.790 323 W HA -0.043 4.617 4.660 0.001 0.000 0.314 323 W C 1.339 177.885 176.519 0.044 0.000 0.964 323 W CA 1.185 58.576 57.345 0.076 0.000 1.207 323 W CB -0.229 29.243 29.460 0.020 0.000 1.120 323 W HN 0.609 nan 8.180 nan 0.000 0.541 324 S N 1.546 117.376 115.700 0.216 0.000 3.561 324 S HA -0.332 4.139 4.470 0.001 0.000 0.318 324 S C 0.272 174.924 174.600 0.086 0.000 1.181 324 S CA 0.957 59.215 58.200 0.097 0.000 0.916 324 S CB -1.725 61.533 63.200 0.096 0.000 0.966 324 S HN 0.762 nan 8.310 nan 0.000 0.550 325 N N -0.352 118.398 118.700 0.084 0.000 2.725 325 N HA -0.193 4.547 4.740 0.001 0.000 0.249 325 N C -0.175 175.333 175.510 -0.004 0.000 1.103 325 N CA 1.554 54.628 53.050 0.040 0.000 0.707 325 N CB -0.795 37.708 38.487 0.026 0.000 1.043 325 N HN 0.806 nan 8.380 nan 0.000 0.553 326 Q N -0.428 119.400 119.800 0.047 0.000 2.399 326 Q HA 0.786 5.127 4.340 0.001 0.000 0.276 326 Q C -0.565 175.477 176.000 0.070 0.000 1.098 326 Q CA -0.632 55.193 55.803 0.036 0.000 0.827 326 Q CB 2.197 31.007 28.738 0.119 0.000 1.386 326 Q HN 0.174 nan 8.270 nan 0.000 0.443 327 L N 1.649 122.842 121.223 -0.050 0.000 2.505 327 L HA 0.513 4.853 4.340 0.001 0.000 0.259 327 L C -1.701 175.090 176.870 -0.132 0.000 0.952 327 L CA -0.561 54.302 54.840 0.038 0.000 0.840 327 L CB 1.866 43.933 42.059 0.014 0.000 1.358 327 L HN 0.634 nan 8.230 nan 0.000 0.409 328 F N 2.071 122.029 119.950 0.013 0.000 2.499 328 F HA 0.477 5.004 4.527 0.001 0.000 0.333 328 F C -0.150 175.682 175.800 0.054 0.000 1.138 328 F CA -0.639 57.336 58.000 -0.043 0.000 0.945 328 F CB 2.132 41.026 39.000 -0.177 0.000 1.181 328 F HN -0.084 nan 8.300 nan 0.000 0.435 329 V N 3.161 123.236 119.914 0.268 0.000 2.313 329 V HA 0.358 4.478 4.120 0.001 0.000 0.278 329 V C -0.328 175.905 176.094 0.231 0.000 1.017 329 V CA -0.572 61.920 62.300 0.320 0.000 0.823 329 V CB 1.472 33.550 31.823 0.425 0.000 1.010 329 V HN 0.742 nan 8.190 nan 0.000 0.443 330 T N 4.809 119.469 114.554 0.178 0.000 2.744 330 T HA 0.612 4.963 4.350 0.001 0.000 0.291 330 T C -0.259 174.535 174.700 0.158 0.000 0.957 330 T CA -0.346 61.822 62.100 0.113 0.000 1.002 330 T CB 1.497 70.426 68.868 0.103 0.000 0.919 330 T HN 0.302 nan 8.240 nan 0.000 0.468 331 V N 4.013 123.985 119.914 0.096 0.000 2.656 331 V HA 0.607 4.727 4.120 0.001 0.000 0.307 331 V C -0.542 175.612 176.094 0.099 0.000 1.051 331 V CA -0.694 61.700 62.300 0.157 0.000 0.893 331 V CB 2.324 34.231 31.823 0.139 0.000 0.999 331 V HN 0.681 nan 8.190 nan 0.000 0.426 332 V N 3.416 123.424 119.914 0.156 0.000 2.656 332 V HA 0.654 4.774 4.120 0.001 0.000 0.307 332 V C -1.348 174.901 176.094 0.259 0.000 1.051 332 V CA -0.401 61.928 62.300 0.047 0.000 0.893 332 V CB 2.228 33.934 31.823 -0.195 0.000 0.999 332 V HN 0.993 nan 8.190 nan 0.000 0.426 333 D N 2.076 122.630 120.400 0.257 0.000 2.890 333 D HA 0.411 5.051 4.640 0.001 0.000 0.233 333 D C 0.401 176.843 176.300 0.237 0.000 1.306 333 D CA -0.026 54.186 54.000 0.354 0.000 0.929 333 D CB 2.279 43.343 40.800 0.440 0.000 1.512 333 D HN 0.552 nan 8.370 nan 0.000 0.568 334 T N -0.763 113.908 114.554 0.195 0.000 3.044 334 T HA 0.062 4.413 4.350 0.001 0.000 0.260 334 T C 1.594 176.381 174.700 0.145 0.000 1.019 334 T CA 0.525 62.729 62.100 0.173 0.000 0.921 334 T CB -0.047 68.916 68.868 0.159 0.000 1.053 334 T HN 0.404 nan 8.240 nan 0.000 0.533 335 T N 0.820 115.460 114.554 0.144 0.000 2.962 335 T HA 0.006 4.356 4.350 0.001 0.000 0.270 335 T C 1.563 176.318 174.700 0.091 0.000 1.088 335 T CA 0.382 62.547 62.100 0.107 0.000 1.127 335 T CB -0.353 68.573 68.868 0.097 0.000 0.883 335 T HN 0.406 nan 8.240 nan 0.000 0.493 336 R N 1.460 122.028 120.500 0.113 0.000 2.633 336 R HA 0.266 4.606 4.340 0.001 0.000 0.348 336 R C 1.330 177.689 176.300 0.099 0.000 1.100 336 R CA 0.230 56.384 56.100 0.090 0.000 1.068 336 R CB 0.352 30.702 30.300 0.083 0.000 1.351 336 R HN 0.492 nan 8.270 nan 0.000 0.575 337 S N -0.060 115.699 115.700 0.099 0.000 2.981 337 S HA -0.063 4.407 4.470 0.001 0.000 0.235 337 S C 0.704 175.201 174.600 -0.171 0.000 0.983 337 S CA -0.319 57.924 58.200 0.071 0.000 1.051 337 S CB -0.788 62.500 63.200 0.147 0.000 0.814 337 S HN 0.201 nan 8.310 nan 0.000 0.518 338 T N 1.612 116.043 114.554 -0.205 0.000 2.867 338 T HA 0.171 4.521 4.350 0.001 0.000 0.297 338 T C -0.219 174.215 174.700 -0.443 0.000 0.989 338 T CA -0.607 61.350 62.100 -0.237 0.000 1.159 338 T CB -0.250 68.541 68.868 -0.129 0.000 0.928 338 T HN 0.489 nan 8.240 nan 0.000 0.538 339 N N 4.081 122.593 118.700 -0.315 0.000 2.462 339 N HA 0.307 5.048 4.740 0.001 0.000 0.242 339 N C 0.448 175.857 175.510 -0.169 0.000 1.010 339 N CA -0.695 52.190 53.050 -0.275 0.000 0.939 339 N CB 0.739 39.083 38.487 -0.238 0.000 1.127 339 N HN 0.691 nan 8.380 nan 0.000 0.509 340 M N 0.165 119.687 119.600 -0.131 0.000 2.233 340 M HA 0.320 4.800 4.480 0.001 0.000 0.350 340 M C -0.272 175.982 176.300 -0.077 0.000 1.176 340 M CA -0.310 54.942 55.300 -0.080 0.000 1.150 340 M CB 0.681 33.252 32.600 -0.048 0.000 1.530 340 M HN 0.248 nan 8.290 nan 0.000 0.459 341 S N 2.332 118.001 115.700 -0.052 0.000 2.462 341 S HA 0.676 5.146 4.470 0.001 0.000 0.294 341 S C -0.163 174.445 174.600 0.013 0.000 1.144 341 S CA -0.923 57.258 58.200 -0.031 0.000 1.088 341 S CB 1.487 64.668 63.200 -0.031 0.000 1.009 341 S HN 0.824 nan 8.310 nan 0.000 0.484 342 V N 0.060 120.008 119.914 0.057 0.000 2.417 342 V HA 0.690 4.810 4.120 0.001 0.000 0.291 342 V C -0.164 176.030 176.094 0.167 0.000 1.024 342 V CA -0.934 61.414 62.300 0.080 0.000 0.861 342 V CB 0.485 32.335 31.823 0.045 0.000 0.985 342 V HN 1.100 nan 8.190 nan 0.000 0.436 343 C N 5.041 124.424 119.300 0.137 0.000 2.303 343 C HA 0.824 5.284 4.460 0.001 0.000 0.326 343 C C 0.377 175.500 174.990 0.222 0.000 1.285 343 C CA 0.358 59.490 59.018 0.191 0.000 1.675 343 C CB 0.322 28.127 27.740 0.110 0.000 2.289 343 C HN 1.216 nan 8.230 nan 0.000 0.512 344 S N 3.889 119.764 115.700 0.292 0.000 2.538 344 S HA 0.822 5.292 4.470 0.001 0.000 0.288 344 S C -0.281 174.461 174.600 0.238 0.000 1.108 344 S CA -0.193 58.138 58.200 0.218 0.000 0.971 344 S CB 1.481 64.755 63.200 0.123 0.000 1.041 344 S HN 1.262 nan 8.310 nan 0.000 0.483 345 A N 2.911 125.817 122.820 0.144 0.000 2.279 345 A HA 0.620 4.940 4.320 0.001 0.000 0.303 345 A C 0.872 178.391 177.584 -0.108 0.000 1.108 345 A CA -0.563 51.437 52.037 -0.062 0.000 0.830 345 A CB 0.581 19.505 19.000 -0.128 0.000 1.106 345 A HN 0.910 nan 8.150 nan 0.000 0.493 346 V N 0.666 120.445 119.914 -0.225 0.000 3.235 346 V HA 0.125 4.246 4.120 0.001 0.000 0.259 346 V C 0.722 176.742 176.094 -0.124 0.000 1.133 346 V CA 1.522 63.743 62.300 -0.131 0.000 1.128 346 V CB -0.626 31.122 31.823 -0.124 0.000 0.757 346 V HN 1.220 nan 8.190 nan 0.000 0.469 347 S N -0.798 114.798 115.700 -0.172 0.000 2.288 347 S HA 0.047 4.518 4.470 0.001 0.000 0.258 347 S C 0.463 174.980 174.600 -0.139 0.000 0.919 347 S CA 0.064 58.190 58.200 -0.124 0.000 1.010 347 S CB 0.584 63.724 63.200 -0.099 0.000 1.231 347 S HN 0.447 nan 8.310 nan 0.000 0.403 348 S N 2.248 117.900 115.700 -0.081 0.000 2.693 348 S HA -0.063 4.407 4.470 0.001 0.000 0.243 348 S C 1.559 176.146 174.600 -0.021 0.000 0.973 348 S CA 0.739 58.918 58.200 -0.036 0.000 0.969 348 S CB -0.897 62.305 63.200 0.003 0.000 0.771 348 S HN 1.544 nan 8.310 nan 0.000 0.542 349 S N 0.286 115.963 115.700 -0.038 0.000 2.527 349 S HA 0.079 4.549 4.470 0.001 0.000 0.222 349 S C 0.218 174.806 174.600 -0.020 0.000 0.985 349 S CA -0.370 57.816 58.200 -0.024 0.000 0.921 349 S CB -0.299 62.883 63.200 -0.030 0.000 0.772 349 S HN 0.537 nan 8.310 nan 0.000 0.529 350 D N 2.263 122.644 120.400 -0.033 0.000 2.329 350 D HA 0.307 4.947 4.640 0.001 0.000 0.246 350 D C 0.643 176.958 176.300 0.026 0.000 1.111 350 D CA 0.120 54.111 54.000 -0.016 0.000 0.941 350 D CB 1.481 42.254 40.800 -0.046 0.000 1.169 350 D HN 0.403 nan 8.370 nan 0.000 0.441 351 S N -1.502 114.221 115.700 0.037 0.000 2.701 351 S HA 0.176 4.647 4.470 0.001 0.000 0.242 351 S C 0.312 174.962 174.600 0.083 0.000 1.025 351 S CA -0.368 57.866 58.200 0.058 0.000 1.016 351 S CB 0.371 63.595 63.200 0.041 0.000 0.977 351 S HN 0.329 nan 8.310 nan 0.000 0.546 352 T N 1.633 116.240 114.554 0.088 0.000 2.900 352 T HA 0.434 4.784 4.350 0.001 0.000 0.295 352 T C -1.663 173.137 174.700 0.167 0.000 1.044 352 T CA -0.487 61.687 62.100 0.123 0.000 0.995 352 T CB 1.300 70.218 68.868 0.084 0.000 1.072 352 T HN 0.268 nan 8.240 nan 0.000 0.473 353 Y N 2.717 123.088 120.300 0.118 0.000 2.436 353 Y HA 0.402 4.952 4.550 0.000 0.000 0.336 353 Y C 0.095 176.096 175.900 0.168 0.000 1.049 353 Y CA 0.061 58.274 58.100 0.188 0.000 1.294 353 Y CB 0.236 38.759 38.460 0.105 0.000 1.179 353 Y HN 0.401 nan 8.280 nan 0.000 0.520 354 K N 5.350 125.558 120.400 -0.319 0.000 2.578 354 K HA 0.207 4.528 4.320 0.001 0.000 0.250 354 K C 0.249 176.700 176.600 -0.247 0.000 0.955 354 K CA -0.628 55.529 56.287 -0.216 0.000 0.825 354 K CB 1.351 33.786 32.500 -0.108 0.000 1.151 354 K HN 0.676 nan 8.250 nan 0.000 0.432 355 N N 1.511 120.118 118.700 -0.155 0.000 2.091 355 N HA -0.233 4.507 4.740 0.001 0.000 0.193 355 N C 0.743 176.258 175.510 0.008 0.000 1.021 355 N CA 1.513 54.549 53.050 -0.023 0.000 0.862 355 N CB 0.028 38.547 38.487 0.053 0.000 1.018 355 N HN 0.563 nan 8.380 nan 0.000 0.429 356 D N 0.190 120.570 120.400 -0.033 0.000 2.220 356 D HA -0.194 4.446 4.640 0.001 0.000 0.198 356 D C 1.106 177.345 176.300 -0.102 0.000 1.001 356 D CA 1.049 55.020 54.000 -0.049 0.000 0.875 356 D CB -0.466 40.302 40.800 -0.053 0.000 0.921 356 D HN 0.325 nan 8.370 nan 0.000 0.454 357 N N -1.052 117.519 118.700 -0.216 0.000 2.515 357 N HA -0.008 4.732 4.740 0.001 0.000 0.191 357 N C -0.877 174.236 175.510 -0.661 0.000 1.182 357 N CA 0.141 52.915 53.050 -0.460 0.000 0.879 357 N CB 0.083 38.194 38.487 -0.626 0.000 0.984 357 N HN -0.038 nan 8.380 nan 0.000 0.453 358 F N -0.823 119.085 119.950 -0.069 0.000 2.613 358 F HA 0.448 4.975 4.527 0.000 0.000 0.310 358 F C -0.328 175.480 175.800 0.013 0.000 1.085 358 F CA -1.084 56.907 58.000 -0.015 0.000 0.945 358 F CB 1.846 40.833 39.000 -0.022 0.000 1.298 358 F HN -0.394 nan 8.300 nan 0.000 0.455 359 K N 2.147 122.707 120.400 0.268 0.000 2.604 359 K HA 0.278 4.599 4.320 0.001 0.000 0.247 359 K C -1.148 175.556 176.600 0.172 0.000 0.956 359 K CA -0.796 55.579 56.287 0.146 0.000 0.896 359 K CB 1.792 34.431 32.500 0.232 0.000 1.131 359 K HN 0.461 nan 8.250 nan 0.000 0.440 360 E N 2.298 122.510 120.200 0.019 0.000 2.331 360 E HA 0.208 4.558 4.350 0.001 0.000 0.272 360 E C -0.696 175.811 176.600 -0.155 0.000 1.036 360 E CA 0.072 56.489 56.400 0.027 0.000 0.864 360 E CB 0.923 30.629 29.700 0.009 0.000 1.035 360 E HN 0.359 nan 8.360 nan 0.000 0.408 361 Y N 0.314 120.619 120.300 0.009 0.000 2.615 361 Y HA 0.459 5.009 4.550 0.001 0.000 0.341 361 Y C -0.215 175.623 175.900 -0.103 0.000 1.089 361 Y CA -0.805 57.288 58.100 -0.011 0.000 1.049 361 Y CB 1.712 40.179 38.460 0.011 0.000 1.296 361 Y HN 0.264 nan 8.280 nan 0.000 0.470 362 L N 2.734 123.910 121.223 -0.078 0.000 2.408 362 L HA 0.679 5.019 4.340 0.001 0.000 0.268 362 L C -0.961 175.713 176.870 -0.327 0.000 0.986 362 L CA -0.900 53.758 54.840 -0.303 0.000 0.820 362 L CB 1.922 43.605 42.059 -0.626 0.000 1.303 362 L HN 0.592 nan 8.230 nan 0.000 0.411 363 R N 1.411 121.783 120.500 -0.214 0.000 2.668 363 R HA 0.485 4.825 4.340 0.001 0.000 0.272 363 R C -1.561 174.720 176.300 -0.031 0.000 1.019 363 R CA -0.857 55.173 56.100 -0.116 0.000 0.894 363 R CB 2.627 32.909 30.300 -0.029 0.000 1.228 363 R HN 0.725 nan 8.270 nan 0.000 0.460 364 H N -0.770 118.252 119.070 -0.079 0.000 2.851 364 H HA 0.697 5.253 4.556 0.001 0.000 0.372 364 H C -0.956 174.386 175.328 0.023 0.000 1.158 364 H CA -0.792 55.238 56.048 -0.030 0.000 1.159 364 H CB 2.405 32.152 29.762 -0.026 0.000 1.757 364 H HN 0.769 nan 8.280 nan 0.000 0.546 365 G N 2.185 111.267 108.800 0.469 0.000 2.660 365 G HA2 0.408 4.369 3.960 0.001 0.000 0.294 365 G HA3 0.408 4.369 3.960 0.001 0.000 0.294 365 G C -1.632 173.422 174.900 0.256 0.000 1.369 365 G CA -0.549 44.694 45.100 0.239 0.000 0.912 365 G HN 0.514 nan 8.290 nan 0.000 0.479 366 E N -0.265 120.053 120.200 0.195 0.000 2.248 366 E HA 0.541 4.891 4.350 0.001 0.000 0.267 366 E C -1.186 175.576 176.600 0.270 0.000 0.877 366 E CA -0.611 55.930 56.400 0.234 0.000 0.759 366 E CB 2.272 32.160 29.700 0.312 0.000 1.182 366 E HN 0.462 nan 8.360 nan 0.000 0.418 367 E N 3.129 123.412 120.200 0.138 0.000 2.279 367 E HA 0.290 4.640 4.350 0.001 0.000 0.252 367 E C -1.361 175.181 176.600 -0.097 0.000 0.894 367 E CA -0.495 55.961 56.400 0.094 0.000 0.785 367 E CB 0.643 30.349 29.700 0.010 0.000 1.237 367 E HN 0.413 nan 8.360 nan 0.000 0.418 368 Y N 1.440 121.690 120.300 -0.084 0.000 2.528 368 Y HA 0.438 4.988 4.550 0.001 0.000 0.335 368 Y C -0.292 175.464 175.900 -0.240 0.000 1.093 368 Y CA -0.926 57.048 58.100 -0.210 0.000 1.134 368 Y CB 1.893 40.139 38.460 -0.355 0.000 1.253 368 Y HN 0.464 nan 8.280 nan 0.000 0.478 369 D N 1.268 121.606 120.400 -0.104 0.000 2.736 369 D HA 0.433 5.074 4.640 0.001 0.000 0.243 369 D C -1.895 174.264 176.300 -0.235 0.000 1.304 369 D CA -0.294 53.616 54.000 -0.150 0.000 0.934 369 D CB 0.845 41.575 40.800 -0.115 0.000 1.382 369 D HN 0.439 nan 8.370 nan 0.000 0.571 370 L N 3.625 124.679 121.223 -0.281 0.000 2.280 370 L HA 0.467 4.807 4.340 0.001 0.000 0.287 370 L C 0.157 176.750 176.870 -0.463 0.000 1.023 370 L CA -0.612 53.988 54.840 -0.401 0.000 0.819 370 L CB 1.350 43.214 42.059 -0.325 0.000 1.212 370 L HN 0.353 nan 8.230 nan 0.000 0.420 371 Q N 2.704 122.059 119.800 -0.742 0.000 2.297 371 Q HA 0.740 5.080 4.340 0.001 0.000 0.268 371 Q C -1.358 173.877 176.000 -1.275 0.000 1.045 371 Q CA -0.571 54.826 55.803 -0.676 0.000 0.861 371 Q CB 2.685 31.195 28.738 -0.381 0.000 1.344 371 Q HN 0.361 nan 8.270 nan 0.000 0.452 372 F N -0.085 119.491 119.950 -0.624 0.000 2.869 372 F HA 0.638 5.166 4.527 0.001 0.000 0.325 372 F C -0.765 174.435 175.800 -1.000 0.000 1.184 372 F CA -0.869 56.654 58.000 -0.794 0.000 0.951 372 F CB 1.383 39.816 39.000 -0.944 0.000 1.421 372 F HN 0.275 nan 8.300 nan 0.000 0.501 373 I N 1.280 121.364 120.570 -0.810 0.000 2.637 373 I HA 0.299 4.469 4.170 0.001 0.000 0.285 373 I C -1.766 173.943 176.117 -0.681 0.000 1.222 373 I CA -0.031 60.850 61.300 -0.697 0.000 1.067 373 I CB 1.497 39.160 38.000 -0.563 0.000 1.279 373 I HN 0.329 nan 8.210 nan 0.000 0.441 374 F N 4.158 123.922 119.950 -0.311 0.000 2.538 374 F HA 0.569 5.096 4.527 0.001 0.000 0.325 374 F C 0.191 176.011 175.800 0.033 0.000 1.066 374 F CA -0.575 57.330 58.000 -0.159 0.000 0.946 374 F CB 1.769 40.578 39.000 -0.319 0.000 1.199 374 F HN 0.312 nan 8.300 nan 0.000 0.473 375 Q N 1.805 121.808 119.800 0.337 0.000 2.306 375 Q HA 0.585 4.925 4.340 0.001 0.000 0.265 375 Q C -1.740 174.346 176.000 0.143 0.000 1.022 375 Q CA -1.177 54.653 55.803 0.044 0.000 0.853 375 Q CB 2.299 30.959 28.738 -0.129 0.000 1.327 375 Q HN 0.680 nan 8.270 nan 0.000 0.449 376 L N 3.317 124.485 121.223 -0.092 0.000 2.272 376 L HA 0.491 4.831 4.340 0.001 0.000 0.289 376 L C -1.567 175.078 176.870 -0.375 0.000 1.032 376 L CA -0.052 54.536 54.840 -0.419 0.000 0.810 376 L CB 1.008 42.696 42.059 -0.618 0.000 1.205 376 L HN 0.730 nan 8.230 nan 0.000 0.422 377 C N 4.195 123.265 119.300 -0.383 0.000 2.614 377 C HA 0.744 5.205 4.460 0.001 0.000 0.320 377 C C -0.403 174.395 174.990 -0.319 0.000 1.200 377 C CA -0.915 57.937 59.018 -0.277 0.000 1.700 377 C CB 2.007 29.617 27.740 -0.216 0.000 2.275 377 C HN 0.894 nan 8.230 nan 0.000 0.492 378 K N 1.577 121.843 120.400 -0.224 0.000 2.267 378 K HA 0.886 5.206 4.320 0.001 0.000 0.246 378 K C -1.552 175.016 176.600 -0.053 0.000 0.954 378 K CA -0.473 55.702 56.287 -0.187 0.000 0.824 378 K CB 1.471 33.888 32.500 -0.138 0.000 1.167 378 K HN 0.616 nan 8.250 nan 0.000 0.431 379 I N 2.160 122.714 120.570 -0.027 0.000 2.497 379 I HA 0.127 4.297 4.170 0.001 0.000 0.284 379 I C -0.804 175.344 176.117 0.052 0.000 1.060 379 I CA -0.852 60.492 61.300 0.074 0.000 1.071 379 I CB 2.293 40.389 38.000 0.161 0.000 1.216 379 I HN 0.687 nan 8.210 nan 0.000 0.442 380 T N 6.871 121.477 114.554 0.086 0.000 2.814 380 T HA 0.369 4.719 4.350 0.001 0.000 0.297 380 T C 0.186 174.935 174.700 0.082 0.000 0.956 380 T CA -0.241 61.899 62.100 0.067 0.000 1.123 380 T CB 0.589 69.497 68.868 0.067 0.000 0.902 380 T HN 0.303 nan 8.240 nan 0.000 0.528 381 L N 4.940 126.196 121.223 0.055 0.000 2.302 381 L HA 0.316 4.656 4.340 0.001 0.000 0.285 381 L C 1.145 178.057 176.870 0.070 0.000 1.090 381 L CA -0.610 54.281 54.840 0.085 0.000 0.866 381 L CB -0.204 41.906 42.059 0.085 0.000 1.244 381 L HN 0.792 nan 8.230 nan 0.000 0.435 382 T N -1.274 113.325 114.554 0.074 0.000 2.938 382 T HA 0.591 4.941 4.350 0.001 0.000 0.285 382 T C 1.227 175.959 174.700 0.054 0.000 1.028 382 T CA -0.153 61.980 62.100 0.055 0.000 1.005 382 T CB 1.993 70.891 68.868 0.050 0.000 1.157 382 T HN 0.370 nan 8.240 nan 0.000 0.550 383 A N 1.106 123.949 122.820 0.039 0.000 1.869 383 A HA -0.187 4.133 4.320 0.001 0.000 0.218 383 A C 1.980 179.582 177.584 0.031 0.000 1.203 383 A CA 2.220 54.276 52.037 0.031 0.000 0.638 383 A CB -1.374 17.639 19.000 0.021 0.000 0.831 383 A HN 0.974 nan 8.150 nan 0.000 0.450 384 D N -0.500 119.916 120.400 0.026 0.000 2.123 384 D HA -0.119 4.522 4.640 0.001 0.000 0.196 384 D C 2.059 178.376 176.300 0.027 0.000 0.992 384 D CA 1.792 55.803 54.000 0.019 0.000 0.833 384 D CB -0.316 40.486 40.800 0.003 0.000 0.954 384 D HN 0.290 nan 8.370 nan 0.000 0.455 385 V N 1.382 121.317 119.914 0.036 0.000 2.379 385 V HA -0.204 3.917 4.120 0.001 0.000 0.245 385 V C 2.604 178.746 176.094 0.079 0.000 1.044 385 V CA 1.062 63.386 62.300 0.040 0.000 1.036 385 V CB -0.385 31.490 31.823 0.086 0.000 0.664 385 V HN 0.157 nan 8.190 nan 0.000 0.453 386 M N 0.025 119.679 119.600 0.089 0.000 2.082 386 M HA -0.224 4.257 4.480 0.001 0.000 0.258 386 M C 2.279 178.630 176.300 0.085 0.000 1.069 386 M CA 2.441 57.800 55.300 0.098 0.000 1.102 386 M CB -0.891 31.767 32.600 0.096 0.000 1.336 386 M HN 0.392 nan 8.290 nan 0.000 0.404 387 T N -0.702 113.888 114.554 0.060 0.000 2.788 387 T HA -0.190 4.160 4.350 0.001 0.000 0.268 387 T C 1.477 176.208 174.700 0.052 0.000 1.044 387 T CA 1.229 63.346 62.100 0.028 0.000 1.139 387 T CB -0.472 68.404 68.868 0.013 0.000 0.867 387 T HN 0.347 nan 8.240 nan 0.000 0.454 388 Y N 1.554 121.813 120.300 -0.069 0.000 2.089 388 Y HA -0.084 4.466 4.550 0.001 0.000 0.282 388 Y C 2.067 177.880 175.900 -0.145 0.000 1.139 388 Y CA 0.869 58.898 58.100 -0.118 0.000 1.123 388 Y CB -0.550 37.772 38.460 -0.230 0.000 0.980 388 Y HN 0.126 nan 8.280 nan 0.000 0.493 389 I N -0.736 119.748 120.570 -0.143 0.000 2.226 389 I HA -0.345 3.825 4.170 0.001 0.000 0.245 389 I C 2.575 178.526 176.117 -0.276 0.000 1.100 389 I CA 1.656 62.770 61.300 -0.310 0.000 1.374 389 I CB -0.627 37.264 38.000 -0.182 0.000 1.057 389 I HN 0.344 nan 8.210 nan 0.000 0.413 390 H N 0.595 119.538 119.070 -0.211 0.000 2.422 390 H HA -0.127 4.429 4.556 0.001 0.000 0.298 390 H C 2.253 177.453 175.328 -0.213 0.000 1.098 390 H CA 1.911 57.848 56.048 -0.185 0.000 1.315 390 H CB 0.234 29.933 29.762 -0.104 0.000 1.382 390 H HN 0.232 nan 8.280 nan 0.000 0.523 391 S N -0.002 115.688 115.700 -0.017 0.000 2.395 391 S HA -0.043 4.427 4.470 0.001 0.000 0.225 391 S C 2.332 176.826 174.600 -0.176 0.000 1.027 391 S CA 0.594 58.774 58.200 -0.033 0.000 0.965 391 S CB 0.062 63.240 63.200 -0.036 0.000 0.812 391 S HN 0.362 nan 8.310 nan 0.000 0.482 392 M N 1.125 120.463 119.600 -0.438 0.000 2.084 392 M HA -0.079 4.401 4.480 0.001 0.000 0.259 392 M C 0.467 176.422 176.300 -0.575 0.000 1.072 392 M CA 1.441 56.250 55.300 -0.818 0.000 1.107 392 M CB 0.037 31.920 32.600 -1.195 0.000 1.299 392 M HN 0.254 nan 8.290 nan 0.000 0.413 393 N N -1.221 117.168 118.700 -0.517 0.000 2.752 393 N HA 0.165 4.906 4.740 0.001 0.000 0.268 393 N C -2.462 172.787 175.510 -0.434 0.000 1.190 393 N CA -1.110 51.684 53.050 -0.426 0.000 0.897 393 N CB 1.679 39.906 38.487 -0.433 0.000 1.515 393 N HN -0.094 nan 8.380 nan 0.000 0.567 394 P HA -0.080 nan 4.420 nan 0.000 0.220 394 P C 0.883 177.954 177.300 -0.383 0.000 1.148 394 P CA 1.013 63.792 63.100 -0.535 0.000 0.803 394 P CB 0.394 31.769 31.700 -0.542 0.000 0.782 395 S N 0.555 116.072 115.700 -0.305 0.000 2.368 395 S HA -0.096 4.375 4.470 0.001 0.000 0.224 395 S C 2.056 176.450 174.600 -0.343 0.000 1.029 395 S CA 0.943 58.992 58.200 -0.252 0.000 0.988 395 S CB -1.120 61.967 63.200 -0.188 0.000 0.838 395 S HN 0.134 nan 8.310 nan 0.000 0.462 396 I N 1.240 121.547 120.570 -0.438 0.000 2.182 396 I HA -0.297 3.873 4.170 0.001 0.000 0.248 396 I C 2.086 177.662 176.117 -0.901 0.000 1.073 396 I CA 1.526 62.409 61.300 -0.695 0.000 1.335 396 I CB -0.444 37.119 38.000 -0.729 0.000 1.031 396 I HN 0.260 nan 8.210 nan 0.000 0.420 397 L N -0.427 120.522 121.223 -0.457 0.000 2.221 397 L HA -0.052 4.289 4.340 0.001 0.000 0.202 397 L C 2.503 179.335 176.870 -0.064 0.000 1.074 397 L CA 0.767 55.519 54.840 -0.145 0.000 0.795 397 L CB -0.347 41.680 42.059 -0.053 0.000 0.960 397 L HN 0.131 nan 8.230 nan 0.000 0.458 398 E N 0.282 120.404 120.200 -0.131 0.000 2.077 398 E HA -0.225 4.126 4.350 0.001 0.000 0.193 398 E C 1.421 177.993 176.600 -0.047 0.000 0.989 398 E CA 1.330 57.689 56.400 -0.069 0.000 0.800 398 E CB -0.115 29.526 29.700 -0.098 0.000 0.746 398 E HN 0.434 nan 8.360 nan 0.000 0.452 399 D N -0.083 120.243 120.400 -0.122 0.000 2.309 399 D HA -0.144 4.497 4.640 0.001 0.000 0.212 399 D C 0.665 176.993 176.300 0.047 0.000 0.968 399 D CA 0.627 54.579 54.000 -0.080 0.000 0.882 399 D CB -0.144 40.560 40.800 -0.161 0.000 0.918 399 D HN 0.314 nan 8.370 nan 0.000 0.503 400 W N 2.294 123.610 121.300 0.026 0.000 3.387 400 W HA 0.152 4.812 4.660 0.001 0.000 0.403 400 W C 0.235 176.772 176.519 0.030 0.000 1.073 400 W CA -0.269 57.098 57.345 0.036 0.000 1.866 400 W CB -1.388 28.103 29.460 0.052 0.000 0.981 400 W HN 0.076 nan 8.180 nan 0.000 0.802 441 L N 1.361 122.629 121.223 0.075 0.000 3.154 441 L HA 0.426 4.766 4.340 0.001 0.000 0.266 441 L C 1.617 178.434 176.870 -0.089 0.000 1.300 441 L CA -0.288 54.613 54.840 0.101 0.000 1.028 441 L CB 0.844 43.168 42.059 0.442 0.000 1.412 441 L HN 0.014 nan 8.230 nan 0.000 0.564 442 K N 0.595 120.915 120.400 -0.135 0.000 2.519 442 K HA -0.087 4.233 4.320 0.001 0.000 0.196 442 K C 0.990 177.453 176.600 -0.228 0.000 1.041 442 K CA 0.994 57.196 56.287 -0.141 0.000 0.954 442 K CB 0.278 32.713 32.500 -0.108 0.000 0.774 442 K HN 0.439 nan 8.250 nan 0.000 0.480 443 N N -0.648 117.798 118.700 -0.423 0.000 2.368 443 N HA -0.005 4.735 4.740 0.001 0.000 0.178 443 N C -0.340 174.914 175.510 -0.426 0.000 1.076 443 N CA 0.260 53.034 53.050 -0.461 0.000 0.889 443 N CB 0.294 38.425 38.487 -0.594 0.000 1.040 443 N HN 0.142 nan 8.380 nan 0.000 0.463 444 Y N 1.230 121.380 120.300 -0.250 0.000 2.301 444 Y HA 0.249 4.799 4.550 0.001 0.000 0.325 444 Y C 0.909 176.408 175.900 -0.669 0.000 1.203 444 Y CA -0.870 56.946 58.100 -0.474 0.000 1.255 444 Y CB 0.994 39.090 38.460 -0.606 0.000 1.232 444 Y HN -0.172 nan 8.280 nan 0.000 0.501 445 T N 0.626 114.896 114.554 -0.474 0.000 2.821 445 T HA 0.554 4.904 4.350 0.001 0.000 0.307 445 T C -0.857 173.668 174.700 -0.291 0.000 1.034 445 T CA -0.647 61.236 62.100 -0.360 0.000 0.953 445 T CB -0.450 68.335 68.868 -0.138 0.000 0.968 445 T HN 0.385 nan 8.240 nan 0.000 0.462 446 F N 1.325 121.350 119.950 0.125 0.000 2.483 446 F HA 0.491 5.018 4.527 0.001 0.000 0.329 446 F C 0.431 176.326 175.800 0.158 0.000 1.064 446 F CA -1.713 56.368 58.000 0.135 0.000 0.986 446 F CB 1.282 40.379 39.000 0.162 0.000 1.218 446 F HN 0.523 nan 8.300 nan 0.000 0.484 447 W N 4.391 125.815 121.300 0.207 0.000 2.507 447 W HA 0.152 4.812 4.660 0.000 0.000 0.334 447 W C -0.409 176.250 176.519 0.233 0.000 1.165 447 W CA -0.664 56.783 57.345 0.170 0.000 1.460 447 W CB -0.068 29.490 29.460 0.163 0.000 1.404 447 W HN 0.507 nan 8.180 nan 0.000 0.435 448 E N 3.701 124.164 120.200 0.439 0.000 2.415 448 E HA 0.098 4.448 4.350 0.001 0.000 0.263 448 E C -0.607 176.212 176.600 0.365 0.000 0.995 448 E CA 0.052 56.649 56.400 0.328 0.000 0.915 448 E CB 1.844 31.660 29.700 0.193 0.000 0.951 448 E HN 0.160 nan 8.360 nan 0.000 0.449 449 V N 3.883 123.927 119.914 0.217 0.000 2.419 449 V HA 0.070 4.191 4.120 0.001 0.000 0.287 449 V C -0.246 175.891 176.094 0.071 0.000 1.017 449 V CA -0.870 61.520 62.300 0.150 0.000 0.844 449 V CB 1.833 33.691 31.823 0.058 0.000 1.011 449 V HN 0.513 nan 8.190 nan 0.000 0.429 450 D N 4.794 125.240 120.400 0.077 0.000 2.280 450 D HA 0.376 5.017 4.640 0.001 0.000 0.243 450 D C 0.324 176.651 176.300 0.044 0.000 1.129 450 D CA -0.153 53.871 54.000 0.041 0.000 0.848 450 D CB 1.737 42.565 40.800 0.046 0.000 1.107 450 D HN 0.470 nan 8.370 nan 0.000 0.471 451 L N 3.718 124.951 121.223 0.017 0.000 3.014 451 L HA 0.180 4.520 4.340 0.001 0.000 0.263 451 L C 2.012 178.885 176.870 0.005 0.000 1.207 451 L CA -0.348 54.542 54.840 0.084 0.000 1.017 451 L CB 0.314 42.474 42.059 0.168 0.000 1.360 451 L HN 0.217 nan 8.230 nan 0.000 0.560 452 K N 1.043 121.392 120.400 -0.086 0.000 2.074 452 K HA -0.223 4.097 4.320 0.001 0.000 0.209 452 K C 1.365 177.919 176.600 -0.077 0.000 1.048 452 K CA 1.636 57.817 56.287 -0.178 0.000 0.926 452 K CB 0.179 32.630 32.500 -0.082 0.000 0.713 452 K HN 0.100 nan 8.250 nan 0.000 0.444 453 E N 0.344 120.572 120.200 0.047 0.000 2.463 453 E HA 0.012 4.362 4.350 0.001 0.000 0.193 453 E C 0.006 176.729 176.600 0.204 0.000 1.041 453 E CA 0.199 56.677 56.400 0.129 0.000 0.879 453 E CB 0.438 30.203 29.700 0.108 0.000 0.997 453 E HN 0.010 nan 8.360 nan 0.000 0.478 454 K N 0.402 120.954 120.400 0.254 0.000 2.570 454 K HA 0.139 4.459 4.320 0.001 0.000 0.210 454 K C -0.648 176.261 176.600 0.515 0.000 1.048 454 K CA -0.164 56.326 56.287 0.338 0.000 1.167 454 K CB 0.263 32.929 32.500 0.277 0.000 0.892 454 K HN 0.018 nan 8.250 nan 0.000 0.480 455 F N 0.771 120.834 119.950 0.188 0.000 2.421 455 F HA 0.289 4.816 4.527 0.001 0.000 0.337 455 F C 0.668 176.692 175.800 0.373 0.000 1.105 455 F CA -0.973 57.175 58.000 0.247 0.000 1.049 455 F CB 1.757 40.874 39.000 0.194 0.000 1.139 455 F HN -0.200 nan 8.300 nan 0.000 0.479 456 S N 1.472 117.430 115.700 0.430 0.000 2.548 456 S HA 0.748 5.218 4.470 0.001 0.000 0.286 456 S C 0.000 174.596 174.600 -0.008 0.000 1.098 456 S CA -0.176 58.208 58.200 0.307 0.000 0.930 456 S CB 1.602 65.031 63.200 0.381 0.000 1.070 456 S HN 0.731 nan 8.310 nan 0.000 0.480 457 A N 2.244 124.917 122.820 -0.245 0.000 2.387 457 A HA 0.312 4.633 4.320 0.001 0.000 0.234 457 A C -0.123 177.389 177.584 -0.121 0.000 1.253 457 A CA -0.113 51.609 52.037 -0.526 0.000 0.894 457 A CB -0.051 18.546 19.000 -0.671 0.000 0.963 457 A HN 0.754 nan 8.150 nan 0.000 0.508 458 D N 1.066 121.493 120.400 0.046 0.000 2.639 458 D HA 0.262 4.902 4.640 0.001 0.000 0.233 458 D C 1.186 177.619 176.300 0.221 0.000 1.161 458 D CA -0.183 53.889 54.000 0.120 0.000 1.003 458 D CB 0.573 41.442 40.800 0.116 0.000 1.034 458 D HN 0.302 nan 8.370 nan 0.000 0.514 459 L N 0.154 121.471 121.223 0.157 0.000 2.043 459 L HA -0.251 4.090 4.340 0.001 0.000 0.212 459 L C 2.195 179.228 176.870 0.270 0.000 1.075 459 L CA 1.179 56.137 54.840 0.196 0.000 0.752 459 L CB -0.314 41.829 42.059 0.140 0.000 0.891 459 L HN 0.181 nan 8.230 nan 0.000 0.432 460 D N 0.055 120.559 120.400 0.174 0.000 2.191 460 D HA -0.259 4.382 4.640 0.001 0.000 0.190 460 D C 2.069 178.432 176.300 0.104 0.000 1.007 460 D CA 1.489 55.563 54.000 0.124 0.000 0.865 460 D CB -0.056 40.784 40.800 0.067 0.000 0.929 460 D HN 0.237 nan 8.370 nan 0.000 0.447 461 Q N -0.901 118.938 119.800 0.065 0.000 2.522 461 Q HA -0.079 4.261 4.340 0.001 0.000 0.216 461 Q C -0.155 175.649 176.000 -0.326 0.000 0.986 461 Q CA 0.671 56.361 55.803 -0.187 0.000 0.901 461 Q CB -0.416 28.058 28.738 -0.440 0.000 0.954 461 Q HN 0.380 nan 8.270 nan 0.000 0.502 462 F N -0.941 118.951 119.950 -0.095 0.000 2.565 462 F HA 0.311 4.838 4.527 0.001 0.000 0.313 462 F C -1.599 174.198 175.800 -0.005 0.000 1.091 462 F CA -2.937 54.993 58.000 -0.117 0.000 0.915 462 F CB 1.247 40.046 39.000 -0.334 0.000 1.208 462 F HN -0.287 nan 8.300 nan 0.000 0.453 463 P HA -0.203 nan 4.420 nan 0.000 0.213 463 P C 2.099 179.493 177.300 0.157 0.000 1.170 463 P CA 1.417 64.594 63.100 0.129 0.000 0.902 463 P CB 0.615 32.360 31.700 0.074 0.000 0.789 464 L N -0.424 120.890 121.223 0.153 0.000 1.976 464 L HA -0.215 4.125 4.340 0.001 0.000 0.223 464 L C 2.597 179.615 176.870 0.246 0.000 1.081 464 L CA 2.677 57.599 54.840 0.135 0.000 0.784 464 L CB -1.524 40.540 42.059 0.009 0.000 0.896 464 L HN 0.080 nan 8.230 nan 0.000 0.438 465 G N -1.243 107.720 108.800 0.272 0.000 2.450 465 G HA2 -0.291 3.669 3.960 0.001 0.000 0.220 465 G HA3 -0.291 3.669 3.960 0.001 0.000 0.220 465 G C 1.654 176.708 174.900 0.256 0.000 1.130 465 G CA 0.755 46.011 45.100 0.260 0.000 0.760 465 G HN 0.344 nan 8.290 nan 0.000 0.557 466 R N 0.092 120.719 120.500 0.213 0.000 2.083 466 R HA -0.031 4.310 4.340 0.001 0.000 0.237 466 R C 2.630 179.004 176.300 0.124 0.000 1.137 466 R CA 1.682 57.867 56.100 0.141 0.000 0.951 466 R CB -0.196 30.168 30.300 0.107 0.000 0.851 466 R HN 0.273 nan 8.270 nan 0.000 0.434 467 K N -0.549 119.958 120.400 0.178 0.000 2.009 467 K HA -0.206 4.114 4.320 0.001 0.000 0.210 467 K C 1.869 178.551 176.600 0.137 0.000 1.049 467 K CA 1.896 58.306 56.287 0.205 0.000 0.929 467 K CB -0.347 32.339 32.500 0.310 0.000 0.714 467 K HN 0.064 nan 8.250 nan 0.000 0.440 468 F N 1.888 121.854 119.950 0.026 0.000 2.043 468 F HA -0.267 4.261 4.527 0.001 0.000 0.297 468 F C 1.740 177.333 175.800 -0.346 0.000 1.121 468 F CA 1.557 59.345 58.000 -0.354 0.000 1.199 468 F CB -0.558 38.305 39.000 -0.228 0.000 0.968 468 F HN -0.054 nan 8.300 nan 0.000 0.478 469 L N -0.348 120.781 121.223 -0.156 0.000 1.991 469 L HA -0.291 4.049 4.340 0.001 0.000 0.221 469 L C 2.507 179.148 176.870 -0.382 0.000 1.079 469 L CA 1.642 56.300 54.840 -0.304 0.000 0.778 469 L CB -1.223 40.803 42.059 -0.055 0.000 0.893 469 L HN 0.357 nan 8.230 nan 0.000 0.437 470 L N -0.357 120.730 121.223 -0.226 0.000 1.955 470 L HA -0.264 4.077 4.340 0.001 0.000 0.213 470 L C 2.655 179.357 176.870 -0.280 0.000 1.072 470 L CA 1.975 56.704 54.840 -0.185 0.000 0.755 470 L CB -1.035 40.974 42.059 -0.084 0.000 0.888 470 L HN 0.348 nan 8.230 nan 0.000 0.432 471 Q N -0.007 119.586 119.800 -0.345 0.000 2.096 471 Q HA -0.187 4.153 4.340 0.001 0.000 0.204 471 Q C 1.903 177.555 176.000 -0.580 0.000 0.982 471 Q CA 2.138 57.682 55.803 -0.432 0.000 0.850 471 Q CB -0.393 28.028 28.738 -0.527 0.000 0.901 471 Q HN 0.658 nan 8.270 nan 0.000 0.422 472 A N -0.356 121.945 122.820 -0.865 0.000 2.239 472 A HA 0.280 4.601 4.320 0.001 0.000 0.209 472 A C 1.386 178.660 177.584 -0.517 0.000 1.171 472 A CA 1.478 53.025 52.037 -0.816 0.000 0.768 472 A CB -0.554 17.638 19.000 -1.347 0.000 0.790 472 A HN 0.689 nan 8.150 nan 0.000 0.478 473 G N -0.201 108.349 108.800 -0.418 0.000 2.866 473 G HA2 -0.284 3.676 3.960 0.001 0.000 0.274 473 G HA3 -0.284 3.676 3.960 0.001 0.000 0.274 473 G C 0.463 175.220 174.900 -0.238 0.000 1.413 473 G CA 0.117 45.059 45.100 -0.265 0.000 0.997 473 G HN 1.242 nan 8.290 nan 0.000 0.559 474 L N 0.000 121.105 121.223 -0.196 0.000 2.949 474 L HA 0.000 4.340 4.340 0.001 0.000 0.249 474 L CA 0.000 54.754 54.840 -0.143 0.000 0.813 474 L CB 0.000 42.006 42.059 -0.089 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502