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 2p85_1_A DATA FIRST_RESID 31 DATA SEQUENCE GKLPPGPTPL PFIGNYLQLN TEQMYNSLMK ISERYGPVFT IHLGPRRVVV DATA SEQUENCE LCGHDAVKEA LVDQAEEFSG RGEQATFDWL FKGYGVAFSN GERAKQLRRF DATA SEQUENCE SIATLRGFGV GKRGIEERIQ EEAGFLIDAL RGTHGANIDP TFFLSRTVSN DATA SEQUENCE VISSIVFGDR FDYEDKEFLS LLRMMLGSFQ FTATSTGQLY EMFSSVMKHL DATA SEQUENCE PGPQQQAFKE LQGLEDFIAK KVEHNQRTLD PNSPRDFIDS FLIRMQEEEK DATA SEQUENCE NPNTEFYLKN LVMTTLNLFF AGTETVSTTL RYGFLLLMKH PEVEAKVHEE DATA SEQUENCE IDRVIGKNRQ PKFEDRAKMP YTEAVIHEIQ RFGDMLPMGL AHRVNKDTKF DATA SEQUENCE RDFFLPKGTE VFPMLGSVLR DPRFFSNPRD FNPQHFLDKK GQFKKSDAFV DATA SEQUENCE PFSIGKRYCF GEGLARMELF LFFTTIMQNF RFKSPQSPKD IDVSPKHVGF DATA SEQUENCE ATIPRNYTMS FLPR 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 31 G HA2 0.000 nan 3.960 nan 0.000 0.244 31 G HA3 0.000 3.954 3.960 -0.010 0.000 0.244 31 G C 0.000 175.029 174.900 0.215 0.000 0.946 31 G CA 0.000 45.215 45.100 0.192 0.000 0.502 32 K N 1.714 122.276 120.400 0.270 0.000 2.646 32 K HA 0.504 4.818 4.320 -0.010 0.000 0.210 32 K C -0.134 176.629 176.600 0.273 0.000 1.020 32 K CA -0.653 55.787 56.287 0.255 0.000 1.040 32 K CB 0.284 32.952 32.500 0.279 0.000 1.253 32 K HN 0.307 nan 8.250 nan 0.000 0.532 33 L N 3.682 124.994 121.223 0.149 0.000 2.453 33 L HA 0.449 4.783 4.340 -0.010 0.000 0.261 33 L C -1.722 175.126 176.870 -0.036 0.000 1.179 33 L CA -1.904 52.958 54.840 0.038 0.000 0.813 33 L CB -0.041 41.996 42.059 -0.037 0.000 1.110 33 L HN 0.518 nan 8.230 nan 0.000 0.466 34 P HA 0.108 nan 4.420 nan 0.000 0.271 34 P C -2.409 174.774 177.300 -0.195 0.000 1.238 34 P CA -0.647 61.980 63.100 -0.787 0.000 0.794 34 P CB -0.213 30.874 31.700 -1.023 0.000 0.959 35 P HA 0.359 nan 4.420 nan 0.000 0.276 35 P C -0.408 176.817 177.300 -0.124 0.000 1.252 35 P CA 0.044 63.180 63.100 0.059 0.000 0.802 35 P CB 0.985 32.834 31.700 0.248 0.000 1.035 36 G N -0.187 108.413 108.800 -0.333 0.000 2.451 36 G HA2 0.440 4.394 3.960 -0.010 0.000 0.292 36 G HA3 0.440 4.394 3.960 -0.010 0.000 0.292 36 G C -3.263 171.246 174.900 -0.652 0.000 1.427 36 G CA -0.925 43.656 45.100 -0.866 0.000 0.792 36 G HN 0.385 nan 8.290 nan 0.000 0.498 37 P HA 0.238 nan 4.420 nan 0.000 0.271 37 P C 0.175 177.457 177.300 -0.030 0.000 1.216 37 P CA 0.231 63.276 63.100 -0.092 0.000 0.771 37 P CB 0.643 32.328 31.700 -0.026 0.000 0.864 38 T N 5.865 120.427 114.554 0.012 0.000 2.902 38 T HA 0.208 4.552 4.350 -0.010 0.000 0.301 38 T C -1.641 173.028 174.700 -0.052 0.000 1.012 38 T CA -0.310 61.779 62.100 -0.018 0.000 1.151 38 T CB -0.319 68.552 68.868 0.006 0.000 0.946 38 T HN 0.459 nan 8.240 nan 0.000 0.542 39 P HA 0.484 nan 4.420 nan 0.000 0.287 39 P C -1.088 176.145 177.300 -0.112 0.000 1.290 39 P CA -0.825 62.169 63.100 -0.177 0.000 0.889 39 P CB 1.172 32.564 31.700 -0.513 0.000 1.190 40 L N 1.648 122.844 121.223 -0.045 0.000 2.352 40 L HA 0.475 4.809 4.340 -0.010 0.000 0.269 40 L C -2.155 174.725 176.870 0.018 0.000 1.034 40 L CA -2.432 52.410 54.840 0.004 0.000 0.806 40 L CB 0.231 42.322 42.059 0.052 0.000 1.244 40 L HN 0.232 nan 8.230 nan 0.000 0.447 41 P HA 0.053 nan 4.420 nan 0.000 0.264 41 P C 0.315 177.750 177.300 0.226 0.000 1.193 41 P CA 0.331 63.492 63.100 0.101 0.000 0.763 41 P CB 0.271 32.023 31.700 0.087 0.000 0.810 42 F N 3.433 123.412 119.950 0.049 0.000 2.565 42 F HA -0.367 4.154 4.527 -0.010 0.000 0.684 42 F C 1.259 177.172 175.800 0.189 0.000 0.487 42 F CA 2.358 60.418 58.000 0.101 0.000 0.725 42 F CB -1.710 37.341 39.000 0.086 0.000 1.613 42 F HN 0.337 nan 8.300 nan 0.000 0.264 43 I N -0.190 120.428 120.570 0.080 0.000 3.001 43 I HA 0.365 4.530 4.170 -0.010 0.000 0.268 43 I C 1.721 177.885 176.117 0.077 0.000 1.267 43 I CA 0.969 62.337 61.300 0.113 0.000 1.472 43 I CB -1.145 36.965 38.000 0.183 0.000 1.089 43 I HN 0.966 nan 8.210 nan 0.000 0.468 44 G N 2.722 111.533 108.800 0.019 0.000 2.591 44 G HA2 -0.409 3.545 3.960 -0.010 0.000 0.298 44 G HA3 -0.409 3.545 3.960 -0.010 0.000 0.298 44 G C 0.180 175.104 174.900 0.041 0.000 1.195 44 G CA 0.780 45.883 45.100 0.004 0.000 0.989 44 G HN 0.595 nan 8.290 nan 0.000 0.551 45 N N 0.282 119.026 118.700 0.072 0.000 2.327 45 N HA 0.347 5.081 4.740 -0.010 0.000 0.231 45 N C 1.144 176.706 175.510 0.086 0.000 1.130 45 N CA 0.320 53.409 53.050 0.065 0.000 0.845 45 N CB 0.087 38.609 38.487 0.058 0.000 1.073 45 N HN 0.517 nan 8.380 nan 0.000 0.496 46 Y N 1.367 121.681 120.300 0.023 0.000 2.081 46 Y HA -0.227 4.318 4.550 -0.010 0.000 0.280 46 Y C 1.441 177.375 175.900 0.056 0.000 1.163 46 Y CA 1.634 59.770 58.100 0.059 0.000 1.135 46 Y CB -0.195 38.363 38.460 0.163 0.000 0.970 46 Y HN 0.143 nan 8.280 nan 0.000 0.498 47 L N 0.109 121.321 121.223 -0.018 0.000 2.447 47 L HA -0.217 4.117 4.340 -0.010 0.000 0.225 47 L C 1.326 178.116 176.870 -0.135 0.000 1.148 47 L CA 1.291 56.063 54.840 -0.113 0.000 0.808 47 L CB -0.450 41.630 42.059 0.035 0.000 0.928 47 L HN 0.396 nan 8.230 nan 0.000 0.448 48 Q N -0.262 119.475 119.800 -0.106 0.000 2.157 48 Q HA 0.383 4.717 4.340 -0.010 0.000 0.229 48 Q C -0.601 175.348 176.000 -0.084 0.000 0.827 48 Q CA -0.074 55.684 55.803 -0.075 0.000 1.055 48 Q CB 0.943 29.666 28.738 -0.025 0.000 1.157 48 Q HN 0.386 nan 8.270 nan 0.000 0.482 49 L N 0.679 121.816 121.223 -0.144 0.000 2.401 49 L HA 0.474 4.808 4.340 -0.010 0.000 0.266 49 L C -0.608 176.182 176.870 -0.133 0.000 0.991 49 L CA -1.083 53.697 54.840 -0.101 0.000 0.818 49 L CB 1.868 43.892 42.059 -0.058 0.000 1.321 49 L HN -0.042 nan 8.230 nan 0.000 0.413 50 N N 0.456 119.118 118.700 -0.063 0.000 2.485 50 N HA 0.131 4.865 4.740 -0.010 0.000 0.243 50 N C 0.587 176.095 175.510 -0.004 0.000 0.987 50 N CA -0.034 52.988 53.050 -0.046 0.000 0.940 50 N CB 1.568 40.044 38.487 -0.020 0.000 1.122 50 N HN 0.574 nan 8.380 nan 0.000 0.509 51 T N 1.931 116.491 114.554 0.009 0.000 2.849 51 T HA -0.167 4.177 4.350 -0.010 0.000 0.270 51 T C 1.162 175.881 174.700 0.032 0.000 1.066 51 T CA 1.494 63.622 62.100 0.047 0.000 1.130 51 T CB -0.001 68.933 68.868 0.109 0.000 0.864 51 T HN 0.664 nan 8.240 nan 0.000 0.481 52 E N -0.194 120.024 120.200 0.030 0.000 2.418 52 E HA 0.011 4.355 4.350 -0.010 0.000 0.197 52 E C 0.697 177.324 176.600 0.045 0.000 1.026 52 E CA 0.555 56.976 56.400 0.034 0.000 0.862 52 E CB 0.316 30.039 29.700 0.039 0.000 0.799 52 E HN 0.172 nan 8.360 nan 0.000 0.518 53 Q N -0.158 119.671 119.800 0.048 0.000 3.990 53 Q HA 0.071 4.405 4.340 -0.010 0.000 0.175 53 Q C -0.068 175.984 176.000 0.086 0.000 0.875 53 Q CA -0.080 55.767 55.803 0.073 0.000 0.761 53 Q CB 0.319 29.101 28.738 0.073 0.000 1.491 53 Q HN 0.264 nan 8.270 nan 0.000 0.457 54 M N 0.075 119.731 119.600 0.095 0.000 2.279 54 M HA -0.131 4.343 4.480 -0.010 0.000 0.264 54 M C 1.511 177.891 176.300 0.132 0.000 1.062 54 M CA 1.246 56.609 55.300 0.104 0.000 1.099 54 M CB -0.677 31.997 32.600 0.123 0.000 1.394 54 M HN 0.521 nan 8.290 nan 0.000 0.426 55 Y N 1.517 121.846 120.300 0.048 0.000 2.133 55 Y HA -0.215 4.329 4.550 -0.010 0.000 0.287 55 Y C 1.959 177.890 175.900 0.053 0.000 1.134 55 Y CA 2.106 60.236 58.100 0.051 0.000 1.133 55 Y CB -0.617 37.851 38.460 0.014 0.000 0.987 55 Y HN 0.353 nan 8.280 nan 0.000 0.502 56 N N -0.685 118.064 118.700 0.082 0.000 2.120 56 N HA -0.195 4.539 4.740 -0.010 0.000 0.188 56 N C 1.847 177.324 175.510 -0.055 0.000 1.024 56 N CA 1.385 54.433 53.050 -0.003 0.000 0.852 56 N CB -0.208 38.325 38.487 0.076 0.000 1.003 56 N HN 0.250 nan 8.380 nan 0.000 0.424 57 S N 1.068 116.758 115.700 -0.016 0.000 2.368 57 S HA -0.056 4.408 4.470 -0.010 0.000 0.225 57 S C 1.988 176.571 174.600 -0.027 0.000 1.030 57 S CA 0.859 59.047 58.200 -0.020 0.000 0.999 57 S CB -0.248 62.950 63.200 -0.002 0.000 0.844 57 S HN 0.247 nan 8.310 nan 0.000 0.459 58 L N 0.527 121.745 121.223 -0.010 0.000 2.109 58 L HA -0.031 4.303 4.340 -0.010 0.000 0.207 58 L C 2.517 179.394 176.870 0.012 0.000 1.086 58 L CA 0.720 55.615 54.840 0.092 0.000 0.760 58 L CB -0.457 41.687 42.059 0.141 0.000 0.910 58 L HN 0.297 nan 8.230 nan 0.000 0.437 59 M N -0.095 119.404 119.600 -0.168 0.000 2.175 59 M HA -0.180 4.294 4.480 -0.010 0.000 0.264 59 M C 2.177 178.411 176.300 -0.110 0.000 1.063 59 M CA 1.647 56.841 55.300 -0.177 0.000 1.119 59 M CB -0.871 31.530 32.600 -0.333 0.000 1.377 59 M HN 0.132 nan 8.290 nan 0.000 0.415 60 K N 0.043 120.383 120.400 -0.101 0.000 2.097 60 K HA -0.070 4.244 4.320 -0.010 0.000 0.206 60 K C 1.933 178.463 176.600 -0.117 0.000 1.049 60 K CA 1.078 57.315 56.287 -0.082 0.000 0.933 60 K CB -0.146 32.319 32.500 -0.059 0.000 0.717 60 K HN 0.294 nan 8.250 nan 0.000 0.442 61 I N 0.157 120.622 120.570 -0.175 0.000 2.500 61 I HA -0.219 3.945 4.170 -0.010 0.000 0.252 61 I C 2.520 178.351 176.117 -0.476 0.000 1.142 61 I CA 0.609 61.731 61.300 -0.297 0.000 1.451 61 I CB -0.153 37.595 38.000 -0.420 0.000 1.093 61 I HN 0.158 nan 8.210 nan 0.000 0.430 62 S N 0.794 116.234 115.700 -0.434 0.000 2.356 62 S HA -0.254 4.210 4.470 -0.010 0.000 0.223 62 S C 1.941 176.484 174.600 -0.095 0.000 1.032 62 S CA 1.334 59.402 58.200 -0.221 0.000 1.005 62 S CB -0.320 62.926 63.200 0.076 0.000 0.867 62 S HN 0.389 nan 8.310 nan 0.000 0.449 63 E N 0.863 121.012 120.200 -0.086 0.000 2.516 63 E HA -0.179 4.165 4.350 -0.010 0.000 0.206 63 E C 1.362 177.904 176.600 -0.097 0.000 1.107 63 E CA 0.835 57.197 56.400 -0.063 0.000 0.903 63 E CB -0.026 29.641 29.700 -0.056 0.000 0.838 63 E HN 0.705 nan 8.360 nan 0.000 0.574 64 R N -2.471 117.942 120.500 -0.145 0.000 2.504 64 R HA 0.062 4.396 4.340 -0.010 0.000 0.341 64 R C 0.279 176.329 176.300 -0.416 0.000 0.905 64 R CA -0.033 55.908 56.100 -0.264 0.000 1.133 64 R CB -0.175 29.925 30.300 -0.333 0.000 1.704 64 R HN -0.033 nan 8.270 nan 0.000 0.503 65 Y N -0.019 120.195 120.300 -0.144 0.000 2.563 65 Y HA 0.579 5.123 4.550 -0.010 0.000 0.250 65 Y C 0.764 176.680 175.900 0.027 0.000 1.126 65 Y CA 0.359 58.411 58.100 -0.079 0.000 1.231 65 Y CB 2.062 40.424 38.460 -0.162 0.000 1.288 65 Y HN 0.376 nan 8.280 nan 0.000 0.537 66 G N 1.056 109.948 108.800 0.154 0.000 2.434 66 G HA2 -0.135 3.819 3.960 -0.010 0.000 0.671 66 G HA3 -0.135 3.819 3.960 -0.010 0.000 0.671 66 G C -2.358 172.684 174.900 0.235 0.000 1.280 66 G CA -0.428 44.782 45.100 0.184 0.000 0.975 66 G HN -0.130 nan 8.290 nan 0.000 0.510 67 P HA 0.250 nan 4.420 nan 0.000 0.245 67 P C 0.242 177.693 177.300 0.251 0.000 1.206 67 P CA 0.606 63.844 63.100 0.230 0.000 0.781 67 P CB 0.542 32.345 31.700 0.172 0.000 0.994 68 V N 2.239 122.312 119.914 0.265 0.000 2.443 68 V HA 0.469 4.583 4.120 -0.010 0.000 0.293 68 V C -0.372 175.779 176.094 0.095 0.000 1.021 68 V CA -0.605 61.781 62.300 0.144 0.000 0.848 68 V CB 1.059 33.019 31.823 0.230 0.000 0.998 68 V HN 0.070 nan 8.190 nan 0.000 0.424 69 F N 1.503 121.371 119.950 -0.137 0.000 2.711 69 F HA 0.837 5.357 4.527 -0.010 0.000 0.313 69 F C -0.426 175.217 175.800 -0.261 0.000 1.141 69 F CA -0.795 57.076 58.000 -0.215 0.000 0.941 69 F CB 1.592 40.502 39.000 -0.150 0.000 1.349 69 F HN 0.211 nan 8.300 nan 0.000 0.464 70 T N 2.753 117.240 114.554 -0.111 0.000 2.867 70 T HA 0.698 5.042 4.350 -0.010 0.000 0.282 70 T C -1.296 173.341 174.700 -0.105 0.000 1.000 70 T CA -0.226 61.737 62.100 -0.229 0.000 1.042 70 T CB 1.455 70.202 68.868 -0.201 0.000 0.973 70 T HN 0.679 nan 8.240 nan 0.000 0.465 71 I N 1.464 121.875 120.570 -0.265 0.000 2.894 71 I HA 0.427 4.591 4.170 -0.010 0.000 0.302 71 I C -1.697 174.225 176.117 -0.324 0.000 1.188 71 I CA -0.775 60.446 61.300 -0.132 0.000 1.014 71 I CB 2.206 40.167 38.000 -0.064 0.000 1.242 71 I HN 0.654 nan 8.210 nan 0.000 0.430 72 H N 6.192 125.184 119.070 -0.131 0.000 2.762 72 H HA 0.533 5.083 4.556 -0.010 0.000 0.310 72 H C -1.017 174.213 175.328 -0.164 0.000 1.004 72 H CA -0.440 55.523 56.048 -0.143 0.000 1.267 72 H CB 1.160 30.863 29.762 -0.098 0.000 1.437 72 H HN 0.318 nan 8.280 nan 0.000 0.498 73 L N 4.053 125.184 121.223 -0.153 0.000 2.334 73 L HA 0.296 4.630 4.340 -0.010 0.000 0.286 73 L C 1.270 177.947 176.870 -0.321 0.000 1.108 73 L CA -0.044 54.671 54.840 -0.208 0.000 0.875 73 L CB -0.230 41.711 42.059 -0.197 0.000 1.246 73 L HN 1.010 nan 8.230 nan 0.000 0.439 74 G N 4.946 113.497 108.800 -0.416 0.000 2.583 74 G HA2 -0.292 3.662 3.960 -0.010 0.000 0.292 74 G HA3 -0.292 3.662 3.960 -0.010 0.000 0.292 74 G C -1.616 173.104 174.900 -0.301 0.000 1.203 74 G CA 0.146 44.873 45.100 -0.622 0.000 0.987 74 G HN 0.548 nan 8.290 nan 0.000 0.554 75 P HA 0.110 nan 4.420 nan 0.000 0.245 75 P C 0.541 177.832 177.300 -0.014 0.000 1.212 75 P CA 0.462 63.538 63.100 -0.040 0.000 0.774 75 P CB 0.120 31.867 31.700 0.078 0.000 0.999 76 R N 0.963 121.411 120.500 -0.087 0.000 2.265 76 R HA 0.335 4.669 4.340 -0.010 0.000 0.314 76 R C 0.563 176.759 176.300 -0.175 0.000 1.053 76 R CA -0.426 55.613 56.100 -0.102 0.000 0.931 76 R CB 0.933 31.160 30.300 -0.121 0.000 1.024 76 R HN -0.005 nan 8.270 nan 0.000 0.457 77 R N 2.719 123.095 120.500 -0.207 0.000 2.229 77 R HA 0.356 4.690 4.340 -0.010 0.000 0.328 77 R C -1.175 174.907 176.300 -0.363 0.000 1.009 77 R CA -0.403 55.448 56.100 -0.414 0.000 0.864 77 R CB 0.942 31.040 30.300 -0.337 0.000 1.085 77 R HN 0.352 nan 8.270 nan 0.000 0.453 78 V N 4.957 124.592 119.914 -0.465 0.000 2.709 78 V HA 0.327 4.441 4.120 -0.010 0.000 0.308 78 V C -0.565 175.245 176.094 -0.473 0.000 1.062 78 V CA -0.936 61.085 62.300 -0.464 0.000 0.901 78 V CB 2.145 33.530 31.823 -0.730 0.000 1.003 78 V HN 0.498 nan 8.190 nan 0.000 0.425 79 V N 5.102 124.798 119.914 -0.365 0.000 2.364 79 V HA 0.360 4.474 4.120 -0.010 0.000 0.272 79 V C 0.036 175.890 176.094 -0.399 0.000 1.036 79 V CA -0.324 61.760 62.300 -0.361 0.000 0.880 79 V CB 1.638 33.336 31.823 -0.208 0.000 0.991 79 V HN 0.636 nan 8.190 nan 0.000 0.460 80 V N 7.043 126.570 119.914 -0.646 0.000 2.567 80 V HA 0.482 4.596 4.120 -0.010 0.000 0.289 80 V C -0.065 175.794 176.094 -0.392 0.000 1.049 80 V CA -0.523 61.412 62.300 -0.609 0.000 0.969 80 V CB 1.609 32.762 31.823 -1.116 0.000 0.995 80 V HN 0.611 nan 8.190 nan 0.000 0.471 81 L N 3.974 125.097 121.223 -0.166 0.000 2.376 81 L HA 0.609 4.943 4.340 -0.010 0.000 0.275 81 L C -0.933 175.941 176.870 0.005 0.000 0.987 81 L CA -0.223 54.583 54.840 -0.056 0.000 0.828 81 L CB 1.822 43.833 42.059 -0.081 0.000 1.249 81 L HN 0.625 nan 8.230 nan 0.000 0.409 82 C N 1.969 121.309 119.300 0.067 0.000 2.507 82 C HA 0.951 5.405 4.460 -0.010 0.000 0.319 82 C C 0.622 175.672 174.990 0.099 0.000 1.208 82 C CA -0.845 58.229 59.018 0.094 0.000 1.619 82 C CB 0.909 28.729 27.740 0.133 0.000 2.230 82 C HN 1.090 nan 8.230 nan 0.000 0.492 83 G N 1.551 110.410 108.800 0.097 0.000 2.721 83 G HA2 -0.107 3.847 3.960 -0.010 0.000 0.686 83 G HA3 -0.107 3.847 3.960 -0.010 0.000 0.686 83 G C 0.379 175.322 174.900 0.072 0.000 1.236 83 G CA 0.245 45.411 45.100 0.110 0.000 0.786 83 G HN 1.158 nan 8.290 nan 0.000 0.616 84 H N 1.256 120.292 119.070 -0.056 0.000 2.321 84 H HA -0.150 4.400 4.556 -0.010 0.000 0.295 84 H C 2.053 177.347 175.328 -0.057 0.000 1.102 84 H CA 2.829 58.781 56.048 -0.161 0.000 1.266 84 H CB 0.061 29.517 29.762 -0.509 0.000 1.363 84 H HN 0.630 nan 8.280 nan 0.000 0.492 85 D N 0.451 120.956 120.400 0.174 0.000 2.084 85 D HA -0.073 4.561 4.640 -0.010 0.000 0.194 85 D C 2.457 178.782 176.300 0.042 0.000 0.990 85 D CA 1.788 55.873 54.000 0.142 0.000 0.826 85 D CB -0.624 40.302 40.800 0.210 0.000 0.971 85 D HN 0.508 nan 8.370 nan 0.000 0.453 86 A N 0.339 123.207 122.820 0.079 0.000 1.902 86 A HA -0.133 4.181 4.320 -0.010 0.000 0.217 86 A C 2.442 180.050 177.584 0.040 0.000 1.181 86 A CA 1.293 53.417 52.037 0.145 0.000 0.623 86 A CB -0.820 18.283 19.000 0.171 0.000 0.818 86 A HN 0.144 nan 8.150 nan 0.000 0.443 87 V N 0.413 120.280 119.914 -0.078 0.000 2.295 87 V HA -0.228 3.886 4.120 -0.010 0.000 0.246 87 V C 2.630 178.575 176.094 -0.248 0.000 1.049 87 V CA 2.215 64.402 62.300 -0.187 0.000 1.024 87 V CB -0.587 31.133 31.823 -0.171 0.000 0.648 87 V HN 0.492 nan 8.190 nan 0.000 0.447 88 K N 0.074 120.307 120.400 -0.278 0.000 2.097 88 K HA -0.163 4.152 4.320 -0.010 0.000 0.205 88 K C 2.119 178.634 176.600 -0.141 0.000 1.050 88 K CA 1.454 57.576 56.287 -0.275 0.000 0.938 88 K CB -0.118 32.092 32.500 -0.485 0.000 0.718 88 K HN 0.572 nan 8.250 nan 0.000 0.442 89 E N -0.269 119.899 120.200 -0.054 0.000 2.072 89 E HA -0.144 4.200 4.350 -0.010 0.000 0.191 89 E C 1.830 178.444 176.600 0.024 0.000 0.985 89 E CA 1.157 57.599 56.400 0.070 0.000 0.801 89 E CB 0.007 29.819 29.700 0.187 0.000 0.750 89 E HN 0.333 nan 8.360 nan 0.000 0.452 90 A N 0.611 123.266 122.820 -0.274 0.000 1.831 90 A HA -0.111 4.203 4.320 -0.010 0.000 0.213 90 A C 1.997 179.162 177.584 -0.697 0.000 1.223 90 A CA 0.757 52.152 52.037 -1.070 0.000 0.604 90 A CB -0.652 17.139 19.000 -2.015 0.000 0.878 90 A HN 0.112 nan 8.150 nan 0.000 0.450 91 L N -0.378 120.538 121.223 -0.512 0.000 2.079 91 L HA -0.138 4.196 4.340 -0.010 0.000 0.210 91 L C 2.341 179.159 176.870 -0.088 0.000 1.081 91 L CA 1.477 56.162 54.840 -0.258 0.000 0.752 91 L CB -0.598 41.304 42.059 -0.261 0.000 0.896 91 L HN 0.242 nan 8.230 nan 0.000 0.433 92 V N -1.673 118.188 119.914 -0.088 0.000 2.599 92 V HA -0.034 4.080 4.120 -0.010 0.000 0.237 92 V C 1.889 177.995 176.094 0.020 0.000 1.081 92 V CA 0.802 63.091 62.300 -0.018 0.000 1.107 92 V CB -0.275 31.532 31.823 -0.028 0.000 0.808 92 V HN 0.218 nan 8.190 nan 0.000 0.486 93 D N 0.224 120.636 120.400 0.019 0.000 2.178 93 D HA -0.123 4.511 4.640 -0.010 0.000 0.201 93 D C 1.456 177.823 176.300 0.111 0.000 0.980 93 D CA 1.203 55.242 54.000 0.066 0.000 0.842 93 D CB 0.007 40.854 40.800 0.077 0.000 0.948 93 D HN 0.437 nan 8.370 nan 0.000 0.472 94 Q N -0.601 119.280 119.800 0.136 0.000 2.656 94 Q HA 0.458 4.792 4.340 -0.010 0.000 0.389 94 Q C 0.658 176.818 176.000 0.268 0.000 0.883 94 Q CA -0.384 55.565 55.803 0.243 0.000 1.056 94 Q CB 1.417 30.407 28.738 0.421 0.000 1.391 94 Q HN 0.047 nan 8.270 nan 0.000 0.399 95 A N 0.639 123.557 122.820 0.163 0.000 1.865 95 A HA -0.234 4.080 4.320 -0.010 0.000 0.217 95 A C 1.932 179.623 177.584 0.177 0.000 1.191 95 A CA 1.439 53.569 52.037 0.155 0.000 0.623 95 A CB -0.077 18.990 19.000 0.112 0.000 0.826 95 A HN 0.410 nan 8.150 nan 0.000 0.444 96 E N 0.004 120.289 120.200 0.140 0.000 2.038 96 E HA -0.213 4.131 4.350 -0.010 0.000 0.195 96 E C 1.964 178.618 176.600 0.091 0.000 1.000 96 E CA 1.822 58.287 56.400 0.107 0.000 0.803 96 E CB -0.385 29.364 29.700 0.081 0.000 0.750 96 E HN 0.738 nan 8.360 nan 0.000 0.448 97 E N -0.716 119.536 120.200 0.086 0.000 2.118 97 E HA -0.147 4.197 4.350 -0.010 0.000 0.195 97 E C 1.420 177.921 176.600 -0.164 0.000 0.992 97 E CA 0.989 57.355 56.400 -0.056 0.000 0.804 97 E CB -0.223 29.414 29.700 -0.104 0.000 0.741 97 E HN 0.204 nan 8.360 nan 0.000 0.458 98 F N 0.102 120.056 119.950 0.005 0.000 2.645 98 F HA 0.114 4.635 4.527 -0.009 0.000 0.300 98 F C 1.539 177.427 175.800 0.147 0.000 1.115 98 F CA 0.005 58.010 58.000 0.008 0.000 1.355 98 F CB 0.203 39.141 39.000 -0.103 0.000 1.026 98 F HN -0.054 nan 8.300 nan 0.000 0.536 99 S N -1.264 114.572 115.700 0.228 0.000 2.603 99 S HA 0.189 4.653 4.470 -0.010 0.000 0.220 99 S C 1.237 175.892 174.600 0.092 0.000 0.967 99 S CA -0.019 58.299 58.200 0.196 0.000 0.920 99 S CB -0.551 62.725 63.200 0.126 0.000 0.773 99 S HN 0.195 nan 8.310 nan 0.000 0.529 100 G N 1.180 110.024 108.800 0.073 0.000 2.572 100 G HA2 0.492 4.446 3.960 -0.010 0.000 0.261 100 G HA3 0.492 4.446 3.960 -0.010 0.000 0.261 100 G C -0.529 174.346 174.900 -0.042 0.000 1.197 100 G CA -0.895 44.208 45.100 0.004 0.000 0.870 100 G HN 0.443 nan 8.290 nan 0.000 0.548 101 R N -0.017 120.443 120.500 -0.066 0.000 2.387 101 R HA 0.588 4.922 4.340 -0.010 0.000 0.314 101 R C 0.603 176.900 176.300 -0.005 0.000 0.958 101 R CA 0.067 56.110 56.100 -0.094 0.000 0.846 101 R CB 0.947 31.186 30.300 -0.101 0.000 1.147 101 R HN 0.661 nan 8.270 nan 0.000 0.447 102 G N 1.850 110.672 108.800 0.037 0.000 2.531 102 G HA2 0.247 4.201 3.960 -0.010 0.000 0.253 102 G HA3 0.247 4.201 3.960 -0.010 0.000 0.253 102 G C -0.853 174.103 174.900 0.094 0.000 1.439 102 G CA -0.574 44.578 45.100 0.087 0.000 1.056 102 G HN 0.634 nan 8.290 nan 0.000 0.555 103 E N -0.477 119.790 120.200 0.111 0.000 2.283 103 E HA 0.360 4.704 4.350 -0.010 0.000 0.271 103 E C -0.753 175.889 176.600 0.071 0.000 1.031 103 E CA -0.306 56.149 56.400 0.091 0.000 0.868 103 E CB 1.406 31.153 29.700 0.077 0.000 1.094 103 E HN 0.181 nan 8.360 nan 0.000 0.401 104 Q N 1.505 121.317 119.800 0.020 0.000 2.878 104 Q HA 0.240 4.574 4.340 -0.010 0.000 0.232 104 Q C -0.296 175.684 176.000 -0.035 0.000 0.893 104 Q CA -0.227 55.527 55.803 -0.081 0.000 0.742 104 Q CB 1.329 29.955 28.738 -0.186 0.000 1.354 104 Q HN 0.708 nan 8.270 nan 0.000 0.466 105 A N 2.376 125.225 122.820 0.049 0.000 1.903 105 A HA -0.207 4.108 4.320 -0.010 0.000 0.219 105 A C 1.692 179.507 177.584 0.386 0.000 1.191 105 A CA 2.627 54.778 52.037 0.191 0.000 0.638 105 A CB -0.363 18.712 19.000 0.125 0.000 0.823 105 A HN 0.690 nan 8.150 nan 0.000 0.451 106 T N -0.719 113.985 114.554 0.251 0.000 2.674 106 T HA -0.125 4.219 4.350 -0.010 0.000 0.265 106 T C 1.558 176.225 174.700 -0.055 0.000 1.039 106 T CA 1.766 63.903 62.100 0.062 0.000 1.150 106 T CB -0.461 68.256 68.868 -0.251 0.000 0.864 106 T HN 0.466 nan 8.240 nan 0.000 0.427 107 F N 1.535 121.446 119.950 -0.067 0.000 2.206 107 F HA -0.019 4.502 4.527 -0.010 0.000 0.298 107 F C 2.342 178.161 175.800 0.031 0.000 1.090 107 F CA 0.582 58.503 58.000 -0.132 0.000 1.323 107 F CB -0.323 38.163 39.000 -0.858 0.000 1.028 107 F HN 0.061 nan 8.300 nan 0.000 0.492 108 D N -0.703 119.765 120.400 0.113 0.000 2.218 108 D HA -0.223 4.411 4.640 -0.010 0.000 0.204 108 D C 1.749 178.158 176.300 0.182 0.000 0.976 108 D CA 0.756 54.848 54.000 0.153 0.000 0.853 108 D CB -0.601 40.261 40.800 0.103 0.000 0.939 108 D HN 0.411 nan 8.370 nan 0.000 0.481 109 W N 1.001 122.318 121.300 0.028 0.000 2.321 109 W HA -0.202 4.452 4.660 -0.010 0.000 0.306 109 W C 2.000 178.450 176.519 -0.115 0.000 1.217 109 W CA 1.165 58.444 57.345 -0.109 0.000 1.257 109 W CB -0.314 28.964 29.460 -0.303 0.000 1.145 109 W HN 0.022 nan 8.180 nan 0.000 0.509 110 L N -1.011 120.292 121.223 0.133 0.000 2.130 110 L HA 0.089 4.423 4.340 -0.010 0.000 0.200 110 L C 2.205 178.982 176.870 -0.156 0.000 1.075 110 L CA 1.765 56.544 54.840 -0.101 0.000 0.768 110 L CB -1.057 40.967 42.059 -0.058 0.000 0.933 110 L HN -0.069 nan 8.230 nan 0.000 0.451 111 F N 0.510 120.533 119.950 0.122 0.000 2.325 111 F HA 0.009 4.530 4.527 -0.010 0.000 0.299 111 F C 1.116 177.042 175.800 0.211 0.000 1.090 111 F CA 0.409 58.523 58.000 0.191 0.000 1.392 111 F CB -0.460 38.698 39.000 0.263 0.000 1.053 111 F HN -0.036 nan 8.300 nan 0.000 0.521 112 K N 0.520 121.078 120.400 0.264 0.000 3.100 112 K HA -0.264 4.050 4.320 -0.010 0.000 0.261 112 K C 1.111 177.765 176.600 0.090 0.000 0.920 112 K CA 0.385 56.770 56.287 0.163 0.000 0.683 112 K CB -2.273 30.310 32.500 0.138 0.000 1.349 112 K HN 0.657 nan 8.250 nan 0.000 0.473 113 G N -1.379 107.473 108.800 0.087 0.000 2.176 113 G HA2 -0.342 3.612 3.960 -0.010 0.000 0.253 113 G HA3 -0.342 3.612 3.960 -0.010 0.000 0.253 113 G C -0.081 174.692 174.900 -0.212 0.000 0.979 113 G CA 0.419 45.461 45.100 -0.096 0.000 0.641 113 G HN 0.392 nan 8.290 nan 0.000 0.530 114 Y N 0.414 120.834 120.300 0.200 0.000 2.403 114 Y HA 0.550 5.094 4.550 -0.010 0.000 0.323 114 Y C 1.092 177.131 175.900 0.231 0.000 1.226 114 Y CA 0.361 58.574 58.100 0.187 0.000 1.235 114 Y CB 1.760 40.336 38.460 0.193 0.000 1.248 114 Y HN 1.197 nan 8.280 nan 0.000 0.489 115 G N -0.130 108.850 108.800 0.299 0.000 2.707 115 G HA2 -0.178 3.776 3.960 -0.010 0.000 0.686 115 G HA3 -0.178 3.776 3.960 -0.010 0.000 0.686 115 G C 0.073 175.009 174.900 0.060 0.000 1.315 115 G CA -0.401 44.823 45.100 0.205 0.000 0.832 115 G HN 0.846 nan 8.290 nan 0.000 0.573 116 V N 0.648 120.582 119.914 0.034 0.000 2.453 116 V HA 0.233 4.347 4.120 -0.010 0.000 0.247 116 V C 2.875 178.885 176.094 -0.140 0.000 1.048 116 V CA 3.208 65.516 62.300 0.014 0.000 1.049 116 V CB -0.650 31.269 31.823 0.159 0.000 0.672 116 V HN 1.986 nan 8.190 nan 0.000 0.457 117 A N -0.608 121.987 122.820 -0.376 0.000 1.878 117 A HA 0.104 4.418 4.320 -0.010 0.000 0.213 117 A C 1.452 178.545 177.584 -0.818 0.000 1.192 117 A CA 1.238 52.828 52.037 -0.746 0.000 0.619 117 A CB -0.498 17.740 19.000 -1.271 0.000 0.837 117 A HN 0.577 nan 8.150 nan 0.000 0.446 118 F N 1.276 121.054 119.950 -0.287 0.000 2.986 118 F HA 0.304 4.825 4.527 -0.010 0.000 0.297 118 F C 0.850 176.584 175.800 -0.110 0.000 1.210 118 F CA 0.090 57.967 58.000 -0.205 0.000 1.346 118 F CB 0.185 39.040 39.000 -0.242 0.000 1.007 118 F HN 0.176 nan 8.300 nan 0.000 0.512 119 S N -1.410 114.269 115.700 -0.036 0.000 2.667 119 S HA 0.602 5.066 4.470 -0.010 0.000 0.292 119 S C -0.758 173.810 174.600 -0.053 0.000 1.126 119 S CA -0.926 57.253 58.200 -0.034 0.000 0.881 119 S CB 2.566 65.741 63.200 -0.041 0.000 1.132 119 S HN 0.112 nan 8.310 nan 0.000 0.492 120 N N -0.796 117.875 118.700 -0.049 0.000 3.002 120 N HA 0.660 5.394 4.740 -0.010 0.000 0.331 120 N C 0.797 176.287 175.510 -0.033 0.000 1.384 120 N CA 0.230 53.255 53.050 -0.041 0.000 0.780 120 N CB 1.227 39.693 38.487 -0.035 0.000 1.492 120 N HN 1.116 nan 8.380 nan 0.000 0.608 121 G N 1.202 109.988 108.800 -0.022 0.000 2.602 121 G HA2 -0.389 3.565 3.960 -0.010 0.000 0.317 121 G HA3 -0.389 3.565 3.960 -0.010 0.000 0.317 121 G C 0.918 175.814 174.900 -0.007 0.000 1.327 121 G CA 1.316 46.409 45.100 -0.012 0.000 0.971 121 G HN 0.674 nan 8.290 nan 0.000 0.540 122 E N -0.026 120.173 120.200 -0.001 0.000 2.118 122 E HA -0.128 4.216 4.350 -0.010 0.000 0.195 122 E C 2.530 179.125 176.600 -0.010 0.000 0.992 122 E CA 2.097 58.501 56.400 0.006 0.000 0.804 122 E CB -0.269 29.440 29.700 0.015 0.000 0.741 122 E HN 0.564 nan 8.360 nan 0.000 0.458 123 R N -0.325 120.160 120.500 -0.026 0.000 2.070 123 R HA -0.107 4.227 4.340 -0.010 0.000 0.233 123 R C 2.221 178.490 176.300 -0.053 0.000 1.137 123 R CA 1.563 57.628 56.100 -0.057 0.000 0.945 123 R CB -0.481 29.786 30.300 -0.055 0.000 0.845 123 R HN 0.237 nan 8.270 nan 0.000 0.430 124 A N 1.193 123.993 122.820 -0.033 0.000 1.902 124 A HA -0.199 4.115 4.320 -0.010 0.000 0.217 124 A C 2.104 179.691 177.584 0.004 0.000 1.181 124 A CA 1.651 53.676 52.037 -0.020 0.000 0.623 124 A CB -0.508 18.473 19.000 -0.032 0.000 0.818 124 A HN 0.423 nan 8.150 nan 0.000 0.443 125 K N -0.832 119.573 120.400 0.008 0.000 2.009 125 K HA -0.208 4.106 4.320 -0.010 0.000 0.210 125 K C 2.328 178.955 176.600 0.045 0.000 1.049 125 K CA 1.627 57.930 56.287 0.027 0.000 0.929 125 K CB -0.200 32.317 32.500 0.028 0.000 0.714 125 K HN 0.451 nan 8.250 nan 0.000 0.440 126 Q N 0.566 120.390 119.800 0.039 0.000 2.030 126 Q HA -0.171 4.163 4.340 -0.010 0.000 0.204 126 Q C 2.322 178.411 176.000 0.148 0.000 0.986 126 Q CA 1.576 57.436 55.803 0.095 0.000 0.843 126 Q CB -0.313 28.429 28.738 0.007 0.000 0.904 126 Q HN 0.401 nan 8.270 nan 0.000 0.420 127 L N 0.092 121.328 121.223 0.023 0.000 2.141 127 L HA -0.138 4.196 4.340 -0.010 0.000 0.209 127 L C 2.715 179.710 176.870 0.209 0.000 1.094 127 L CA 0.987 55.905 54.840 0.130 0.000 0.763 127 L CB -0.406 41.691 42.059 0.064 0.000 0.908 127 L HN 0.174 nan 8.230 nan 0.000 0.437 128 R N 0.440 120.993 120.500 0.089 0.000 2.062 128 R HA -0.143 4.191 4.340 -0.010 0.000 0.229 128 R C 2.556 178.778 176.300 -0.131 0.000 1.128 128 R CA 1.109 57.178 56.100 -0.052 0.000 0.960 128 R CB -0.162 30.142 30.300 0.007 0.000 0.855 128 R HN 0.159 nan 8.270 nan 0.000 0.432 129 R N -0.255 120.247 120.500 0.005 0.000 2.083 129 R HA -0.207 4.127 4.340 -0.010 0.000 0.237 129 R C 2.127 178.447 176.300 0.034 0.000 1.137 129 R CA 2.012 58.117 56.100 0.008 0.000 0.951 129 R CB -0.474 29.867 30.300 0.068 0.000 0.851 129 R HN 0.312 nan 8.270 nan 0.000 0.434 130 F N 1.043 121.009 119.950 0.026 0.000 2.146 130 F HA -0.111 4.411 4.527 -0.010 0.000 0.298 130 F C 2.282 178.118 175.800 0.060 0.000 1.096 130 F CA 1.762 59.794 58.000 0.054 0.000 1.275 130 F CB -0.321 38.813 39.000 0.222 0.000 1.008 130 F HN -0.045 nan 8.300 nan 0.000 0.480 131 S N 1.100 116.946 115.700 0.242 0.000 2.368 131 S HA -0.174 4.290 4.470 -0.010 0.000 0.225 131 S C 2.125 176.637 174.600 -0.148 0.000 1.030 131 S CA 1.675 60.005 58.200 0.218 0.000 0.999 131 S CB -0.551 62.765 63.200 0.193 0.000 0.844 131 S HN 0.420 nan 8.310 nan 0.000 0.459 132 I N 1.541 121.855 120.570 -0.426 0.000 2.179 132 I HA -0.223 3.941 4.170 -0.010 0.000 0.242 132 I C 2.671 178.673 176.117 -0.192 0.000 1.088 132 I CA 1.184 62.259 61.300 -0.375 0.000 1.357 132 I CB -0.445 37.315 38.000 -0.400 0.000 1.051 132 I HN 0.276 nan 8.210 nan 0.000 0.409 133 A N 0.165 122.854 122.820 -0.217 0.000 1.930 133 A HA -0.165 4.149 4.320 -0.010 0.000 0.217 133 A C 2.361 179.803 177.584 -0.237 0.000 1.175 133 A CA 2.238 54.150 52.037 -0.209 0.000 0.627 133 A CB -0.951 17.914 19.000 -0.226 0.000 0.815 133 A HN 0.384 nan 8.150 nan 0.000 0.443 134 T N 0.551 114.905 114.554 -0.333 0.000 2.812 134 T HA -0.030 4.314 4.350 -0.010 0.000 0.264 134 T C 1.801 176.564 174.700 0.105 0.000 1.042 134 T CA 1.319 63.279 62.100 -0.234 0.000 1.140 134 T CB -0.366 68.238 68.868 -0.439 0.000 0.870 134 T HN 0.354 nan 8.240 nan 0.000 0.445 135 L N 0.559 121.876 121.223 0.158 0.000 2.131 135 L HA -0.058 4.276 4.340 -0.010 0.000 0.210 135 L C 2.877 179.829 176.870 0.136 0.000 1.092 135 L CA 1.223 56.196 54.840 0.221 0.000 0.759 135 L CB -0.493 41.666 42.059 0.167 0.000 0.903 135 L HN 0.164 nan 8.230 nan 0.000 0.435 136 R N 0.389 120.909 120.500 0.033 0.000 2.075 136 R HA -0.113 4.221 4.340 -0.010 0.000 0.232 136 R C 2.284 178.564 176.300 -0.034 0.000 1.126 136 R CA 1.274 57.374 56.100 -0.001 0.000 0.963 136 R CB -0.412 29.867 30.300 -0.035 0.000 0.858 136 R HN 0.368 nan 8.270 nan 0.000 0.435 137 G N -0.090 108.645 108.800 -0.109 0.000 2.462 137 G HA2 -0.237 3.718 3.960 -0.010 0.000 0.220 137 G HA3 -0.237 3.718 3.960 -0.010 0.000 0.220 137 G C 0.758 175.475 174.900 -0.303 0.000 1.121 137 G CA 0.459 45.408 45.100 -0.252 0.000 0.758 137 G HN 0.284 nan 8.290 nan 0.000 0.559 138 F N 0.816 120.759 119.950 -0.013 0.000 2.660 138 F HA 0.402 4.923 4.527 -0.010 0.000 0.297 138 F C 1.788 177.591 175.800 0.004 0.000 1.132 138 F CA -0.094 57.910 58.000 0.006 0.000 1.372 138 F CB 0.402 39.423 39.000 0.034 0.000 1.003 138 F HN 0.227 nan 8.300 nan 0.000 0.524 139 G N -0.084 108.780 108.800 0.108 0.000 2.157 139 G HA2 -0.257 3.697 3.960 -0.010 0.000 0.248 139 G HA3 -0.257 3.697 3.960 -0.010 0.000 0.248 139 G C 0.127 175.057 174.900 0.050 0.000 0.979 139 G CA 0.036 45.177 45.100 0.068 0.000 0.650 139 G HN 0.122 nan 8.290 nan 0.000 0.529 140 V N 0.665 120.617 119.914 0.064 0.000 2.572 140 V HA 0.480 4.594 4.120 -0.010 0.000 0.291 140 V C 1.831 177.929 176.094 0.008 0.000 1.039 140 V CA 1.566 63.886 62.300 0.033 0.000 1.055 140 V CB 0.826 32.684 31.823 0.059 0.000 0.969 140 V HN 1.964 nan 8.190 nan 0.000 0.482 141 G N 4.051 112.834 108.800 -0.027 0.000 2.143 141 G HA2 -0.214 3.740 3.960 -0.010 0.000 0.248 141 G HA3 -0.214 3.740 3.960 -0.010 0.000 0.248 141 G C 0.055 174.954 174.900 -0.002 0.000 0.991 141 G CA 0.563 45.651 45.100 -0.021 0.000 0.689 141 G HN 0.649 nan 8.290 nan 0.000 0.522 142 K N -2.129 118.266 120.400 -0.008 0.000 2.318 142 K HA 0.611 4.925 4.320 -0.010 0.000 0.265 142 K C 1.075 177.677 176.600 0.003 0.000 1.055 142 K CA -0.737 55.554 56.287 0.006 0.000 0.896 142 K CB 0.864 33.368 32.500 0.007 0.000 1.479 142 K HN -0.007 nan 8.250 nan 0.000 0.449 143 R N 1.132 121.639 120.500 0.013 0.000 2.096 143 R HA -0.132 4.202 4.340 -0.010 0.000 0.240 143 R C 1.777 178.083 176.300 0.011 0.000 1.139 143 R CA 2.601 58.709 56.100 0.014 0.000 0.952 143 R CB -1.273 29.037 30.300 0.017 0.000 0.854 143 R HN 0.877 nan 8.270 nan 0.000 0.436 144 G N 0.786 109.596 108.800 0.017 0.000 2.631 144 G HA2 -0.340 3.614 3.960 -0.010 0.000 0.219 144 G HA3 -0.340 3.614 3.960 -0.010 0.000 0.219 144 G C 1.389 176.303 174.900 0.023 0.000 1.214 144 G CA 1.240 46.356 45.100 0.028 0.000 0.785 144 G HN 0.391 nan 8.290 nan 0.000 0.596 145 I N 0.912 121.492 120.570 0.016 0.000 2.394 145 I HA -0.020 4.144 4.170 -0.010 0.000 0.251 145 I C 2.530 178.624 176.117 -0.038 0.000 1.136 145 I CA 1.391 62.691 61.300 -0.001 0.000 1.425 145 I CB -0.284 37.714 38.000 -0.004 0.000 1.079 145 I HN 0.454 nan 8.210 nan 0.000 0.425 146 E N 0.241 120.412 120.200 -0.049 0.000 2.077 146 E HA -0.318 4.026 4.350 -0.010 0.000 0.193 146 E C 2.131 178.707 176.600 -0.039 0.000 0.989 146 E CA 1.539 57.900 56.400 -0.065 0.000 0.800 146 E CB -0.174 29.507 29.700 -0.031 0.000 0.746 146 E HN 0.668 nan 8.360 nan 0.000 0.452 147 E N 0.250 120.441 120.200 -0.015 0.000 2.077 147 E HA -0.266 4.078 4.350 -0.010 0.000 0.193 147 E C 2.255 178.843 176.600 -0.021 0.000 0.989 147 E CA 1.075 57.469 56.400 -0.009 0.000 0.800 147 E CB -0.085 29.619 29.700 0.007 0.000 0.746 147 E HN -0.006 nan 8.360 nan 0.000 0.452 148 R N 0.945 121.440 120.500 -0.008 0.000 2.083 148 R HA -0.107 4.227 4.340 -0.010 0.000 0.237 148 R C 2.251 178.544 176.300 -0.012 0.000 1.137 148 R CA 1.851 57.952 56.100 0.002 0.000 0.951 148 R CB -0.637 29.679 30.300 0.026 0.000 0.851 148 R HN 0.341 nan 8.270 nan 0.000 0.434 149 I N 0.245 120.793 120.570 -0.037 0.000 2.226 149 I HA -0.307 3.857 4.170 -0.010 0.000 0.245 149 I C 2.436 178.503 176.117 -0.083 0.000 1.100 149 I CA 1.514 62.763 61.300 -0.084 0.000 1.374 149 I CB -0.417 37.437 38.000 -0.242 0.000 1.057 149 I HN 0.342 nan 8.210 nan 0.000 0.413 150 Q N 0.401 120.155 119.800 -0.076 0.000 2.061 150 Q HA -0.283 4.052 4.340 -0.010 0.000 0.204 150 Q C 2.211 178.156 176.000 -0.092 0.000 0.984 150 Q CA 1.915 57.688 55.803 -0.051 0.000 0.846 150 Q CB -0.176 28.547 28.738 -0.025 0.000 0.902 150 Q HN 0.494 nan 8.270 nan 0.000 0.421 151 E N 0.601 120.707 120.200 -0.157 0.000 2.051 151 E HA -0.256 4.088 4.350 -0.010 0.000 0.192 151 E C 1.818 178.009 176.600 -0.682 0.000 0.991 151 E CA 1.210 57.381 56.400 -0.382 0.000 0.799 151 E CB 0.101 29.618 29.700 -0.305 0.000 0.748 151 E HN 0.156 nan 8.360 nan 0.000 0.449 152 E N 0.296 120.304 120.200 -0.320 0.000 2.110 152 E HA -0.128 4.216 4.350 -0.010 0.000 0.193 152 E C 1.696 178.382 176.600 0.144 0.000 0.988 152 E CA 1.283 57.633 56.400 -0.083 0.000 0.804 152 E CB -0.282 29.559 29.700 0.236 0.000 0.745 152 E HN 0.364 nan 8.360 nan 0.000 0.458 153 A N 0.074 123.037 122.820 0.239 0.000 1.940 153 A HA -0.085 4.229 4.320 -0.010 0.000 0.219 153 A C 2.402 180.107 177.584 0.202 0.000 1.176 153 A CA 1.791 54.052 52.037 0.373 0.000 0.631 153 A CB -1.263 17.908 19.000 0.284 0.000 0.814 153 A HN 0.406 nan 8.150 nan 0.000 0.446 154 G N -0.798 108.009 108.800 0.011 0.000 2.433 154 G HA2 -0.211 3.743 3.960 -0.010 0.000 0.216 154 G HA3 -0.211 3.743 3.960 -0.010 0.000 0.216 154 G C 1.456 176.476 174.900 0.200 0.000 1.186 154 G CA 1.039 46.151 45.100 0.021 0.000 0.779 154 G HN 0.549 nan 8.290 nan 0.000 0.543 155 F N 0.053 120.119 119.950 0.193 0.000 2.250 155 F HA -0.075 4.446 4.527 -0.010 0.000 0.301 155 F C 2.449 178.470 175.800 0.368 0.000 1.077 155 F CA 0.310 58.435 58.000 0.209 0.000 1.348 155 F CB -0.156 38.889 39.000 0.076 0.000 1.040 155 F HN 0.163 nan 8.300 nan 0.000 0.509 156 L N 0.344 121.872 121.223 0.508 0.000 2.072 156 L HA -0.150 4.184 4.340 -0.010 0.000 0.205 156 L C 2.116 179.137 176.870 0.251 0.000 1.079 156 L CA 1.456 56.505 54.840 0.348 0.000 0.752 156 L CB -0.721 41.459 42.059 0.202 0.000 0.906 156 L HN -0.045 nan 8.230 nan 0.000 0.436 157 I N 0.378 121.121 120.570 0.288 0.000 2.151 157 I HA -0.308 3.856 4.170 -0.010 0.000 0.243 157 I C 2.223 178.516 176.117 0.294 0.000 1.080 157 I CA 1.437 62.937 61.300 0.333 0.000 1.339 157 I CB -1.557 36.609 38.000 0.277 0.000 1.039 157 I HN 0.345 nan 8.210 nan 0.000 0.409 158 D N 1.087 121.651 120.400 0.273 0.000 2.116 158 D HA -0.175 4.459 4.640 -0.010 0.000 0.193 158 D C 2.255 178.666 176.300 0.186 0.000 0.998 158 D CA 1.803 55.942 54.000 0.232 0.000 0.836 158 D CB -0.213 40.738 40.800 0.251 0.000 0.951 158 D HN 0.354 nan 8.370 nan 0.000 0.449 159 A N 0.852 123.808 122.820 0.226 0.000 1.877 159 A HA -0.137 4.177 4.320 -0.010 0.000 0.216 159 A C 2.481 180.045 177.584 -0.034 0.000 1.186 159 A CA 1.072 53.222 52.037 0.189 0.000 0.620 159 A CB -0.838 18.348 19.000 0.310 0.000 0.822 159 A HN 0.206 nan 8.150 nan 0.000 0.443 160 L N -1.449 119.654 121.223 -0.200 0.000 2.093 160 L HA -0.124 4.210 4.340 -0.010 0.000 0.208 160 L C 2.778 179.478 176.870 -0.284 0.000 1.085 160 L CA 1.637 56.139 54.840 -0.562 0.000 0.755 160 L CB -0.431 41.078 42.059 -0.917 0.000 0.904 160 L HN 0.425 nan 8.230 nan 0.000 0.435 161 R N 0.449 120.988 120.500 0.066 0.000 2.115 161 R HA -0.093 4.241 4.340 -0.010 0.000 0.230 161 R C 2.107 178.352 176.300 -0.091 0.000 1.111 161 R CA 1.157 57.377 56.100 0.200 0.000 0.976 161 R CB -0.320 30.165 30.300 0.307 0.000 0.870 161 R HN 0.343 nan 8.270 nan 0.000 0.445 162 G N -0.858 107.843 108.800 -0.164 0.000 2.776 162 G HA2 -0.182 3.772 3.960 -0.010 0.000 0.209 162 G HA3 -0.182 3.772 3.960 -0.010 0.000 0.209 162 G C 1.163 175.732 174.900 -0.551 0.000 1.145 162 G CA 0.962 45.831 45.100 -0.384 0.000 0.791 162 G HN 0.517 nan 8.290 nan 0.000 0.530 163 T N -3.117 111.212 114.554 -0.376 0.000 3.081 163 T HA 0.073 4.417 4.350 -0.010 0.000 0.250 163 T C 0.911 175.534 174.700 -0.128 0.000 1.100 163 T CA 0.171 62.135 62.100 -0.227 0.000 1.038 163 T CB -0.459 68.267 68.868 -0.238 0.000 0.962 163 T HN 0.546 nan 8.240 nan 0.000 0.516 164 H N 1.226 120.324 119.070 0.047 0.000 2.592 164 H HA -0.086 4.464 4.556 -0.010 0.000 0.323 164 H C 1.406 176.773 175.328 0.064 0.000 1.117 164 H CA 0.410 56.500 56.048 0.070 0.000 1.120 164 H CB -1.748 28.051 29.762 0.062 0.000 1.561 164 H HN 0.734 nan 8.280 nan 0.000 0.409 165 G N -1.121 107.764 108.800 0.141 0.000 2.186 165 G HA2 -0.276 3.679 3.960 -0.010 0.000 0.266 165 G HA3 -0.276 3.679 3.960 -0.010 0.000 0.266 165 G C 0.624 175.573 174.900 0.082 0.000 0.982 165 G CA 0.358 45.527 45.100 0.115 0.000 0.670 165 G HN 1.234 nan 8.290 nan 0.000 0.533 166 A N -0.111 122.750 122.820 0.067 0.000 2.462 166 A HA 0.493 4.807 4.320 -0.010 0.000 0.243 166 A C 0.776 178.385 177.584 0.042 0.000 1.076 166 A CA 0.210 52.280 52.037 0.054 0.000 0.773 166 A CB 0.255 19.286 19.000 0.052 0.000 1.010 166 A HN 0.579 nan 8.150 nan 0.000 0.493 167 N N 1.309 120.035 118.700 0.043 0.000 2.452 167 N HA 0.283 5.017 4.740 -0.010 0.000 0.266 167 N C -0.386 175.151 175.510 0.045 0.000 1.209 167 N CA 0.494 53.569 53.050 0.042 0.000 0.929 167 N CB 0.053 38.562 38.487 0.037 0.000 1.063 167 N HN 0.646 nan 8.380 nan 0.000 0.472 168 I N -0.804 119.797 120.570 0.052 0.000 3.195 168 I HA 0.443 4.607 4.170 -0.010 0.000 0.313 168 I C -1.038 175.111 176.117 0.053 0.000 1.237 168 I CA -1.124 60.213 61.300 0.062 0.000 0.963 168 I CB 2.010 40.031 38.000 0.034 0.000 1.278 168 I HN 0.169 nan 8.210 nan 0.000 0.460 169 D N 3.952 124.391 120.400 0.065 0.000 2.280 169 D HA 0.355 4.989 4.640 -0.010 0.000 0.243 169 D C -1.784 174.550 176.300 0.056 0.000 1.129 169 D CA -2.261 51.726 54.000 -0.021 0.000 0.848 169 D CB 1.932 42.727 40.800 -0.008 0.000 1.107 169 D HN 0.403 nan 8.370 nan 0.000 0.471 170 P HA -0.043 nan 4.420 nan 0.000 0.241 170 P C 1.167 178.458 177.300 -0.014 0.000 1.191 170 P CA 0.248 63.386 63.100 0.062 0.000 0.771 170 P CB 0.424 32.228 31.700 0.173 0.000 0.929 171 T N 1.047 115.501 114.554 -0.167 0.000 2.493 171 T HA -0.214 4.130 4.350 -0.010 0.000 0.256 171 T C 1.315 175.729 174.700 -0.477 0.000 1.195 171 T CA 1.954 63.827 62.100 -0.379 0.000 1.183 171 T CB -1.097 67.469 68.868 -0.505 0.000 0.863 171 T HN 0.089 nan 8.240 nan 0.000 0.418 172 F N -0.251 119.569 119.950 -0.216 0.000 2.661 172 F HA 0.243 4.764 4.527 -0.010 0.000 0.298 172 F C 1.796 177.356 175.800 -0.401 0.000 1.137 172 F CA 0.034 57.829 58.000 -0.342 0.000 1.454 172 F CB -0.628 38.127 39.000 -0.409 0.000 1.103 172 F HN 0.113 nan 8.300 nan 0.000 0.577 173 F N -0.129 119.694 119.950 -0.212 0.000 2.163 173 F HA -0.127 4.394 4.527 -0.009 0.000 0.297 173 F C 2.141 177.726 175.800 -0.358 0.000 1.094 173 F CA 1.149 58.956 58.000 -0.323 0.000 1.290 173 F CB -0.650 38.155 39.000 -0.325 0.000 1.017 173 F HN -0.137 nan 8.300 nan 0.000 0.483 174 L N -0.463 120.679 121.223 -0.136 0.000 2.027 174 L HA -0.205 4.129 4.340 -0.010 0.000 0.206 174 L C 2.630 179.315 176.870 -0.308 0.000 1.074 174 L CA 1.595 56.275 54.840 -0.265 0.000 0.745 174 L CB -0.905 40.971 42.059 -0.306 0.000 0.898 174 L HN 0.182 nan 8.230 nan 0.000 0.433 175 S N -0.429 115.074 115.700 -0.327 0.000 2.402 175 S HA -0.153 4.311 4.470 -0.010 0.000 0.229 175 S C 2.032 176.510 174.600 -0.204 0.000 1.021 175 S CA 0.615 58.628 58.200 -0.312 0.000 0.974 175 S CB -0.391 62.552 63.200 -0.429 0.000 0.800 175 S HN 0.347 nan 8.310 nan 0.000 0.484 176 R N 0.881 121.253 120.500 -0.214 0.000 2.092 176 R HA -0.014 4.320 4.340 -0.010 0.000 0.231 176 R C 2.445 178.916 176.300 0.286 0.000 1.119 176 R CA 1.731 57.835 56.100 0.007 0.000 0.970 176 R CB -0.875 29.337 30.300 -0.147 0.000 0.864 176 R HN 0.468 nan 8.270 nan 0.000 0.440 177 T N 0.726 115.297 114.554 0.028 0.000 2.701 177 T HA -0.092 4.252 4.350 -0.010 0.000 0.263 177 T C 2.032 176.759 174.700 0.045 0.000 1.040 177 T CA 1.298 63.457 62.100 0.099 0.000 1.147 177 T CB -0.225 68.525 68.868 -0.197 0.000 0.865 177 T HN -0.030 nan 8.240 nan 0.000 0.426 178 V N 1.331 121.155 119.914 -0.149 0.000 2.287 178 V HA -0.193 3.921 4.120 -0.010 0.000 0.248 178 V C 2.744 178.918 176.094 0.134 0.000 1.053 178 V CA 2.052 64.332 62.300 -0.033 0.000 1.027 178 V CB -0.858 30.894 31.823 -0.118 0.000 0.646 178 V HN 0.477 nan 8.190 nan 0.000 0.447 179 S N -0.054 115.736 115.700 0.150 0.000 2.400 179 S HA -0.216 4.248 4.470 -0.010 0.000 0.232 179 S C 1.879 176.739 174.600 0.434 0.000 1.025 179 S CA 1.562 59.931 58.200 0.282 0.000 0.993 179 S CB -0.511 62.910 63.200 0.369 0.000 0.808 179 S HN 0.638 nan 8.310 nan 0.000 0.478 180 N N 0.913 119.877 118.700 0.441 0.000 2.289 180 N HA -0.046 4.688 4.740 -0.010 0.000 0.184 180 N C 1.623 177.291 175.510 0.263 0.000 1.016 180 N CA 1.034 54.307 53.050 0.371 0.000 0.872 180 N CB -0.481 38.234 38.487 0.380 0.000 0.973 180 N HN 0.287 nan 8.380 nan 0.000 0.433 181 V N 0.898 120.966 119.914 0.256 0.000 2.270 181 V HA -0.155 3.960 4.120 -0.010 0.000 0.245 181 V C 2.241 178.409 176.094 0.123 0.000 1.043 181 V CA 1.063 63.474 62.300 0.185 0.000 1.014 181 V CB -0.377 31.570 31.823 0.207 0.000 0.645 181 V HN 0.162 nan 8.190 nan 0.000 0.447 182 I N 0.013 120.664 120.570 0.135 0.000 2.353 182 I HA -0.145 4.019 4.170 -0.010 0.000 0.248 182 I C 2.471 178.607 176.117 0.031 0.000 1.119 182 I CA 1.396 62.740 61.300 0.072 0.000 1.417 182 I CB -0.313 37.734 38.000 0.077 0.000 1.078 182 I HN 0.180 nan 8.210 nan 0.000 0.421 183 S N 0.037 115.840 115.700 0.171 0.000 2.383 183 S HA -0.178 4.286 4.470 -0.010 0.000 0.229 183 S C 2.118 176.704 174.600 -0.023 0.000 1.030 183 S CA 1.572 59.846 58.200 0.123 0.000 1.002 183 S CB -0.368 63.124 63.200 0.486 0.000 0.829 183 S HN 0.549 nan 8.310 nan 0.000 0.467 184 S N 1.248 116.952 115.700 0.006 0.000 2.382 184 S HA 0.022 4.486 4.470 -0.010 0.000 0.228 184 S C 1.710 176.229 174.600 -0.134 0.000 1.027 184 S CA 0.945 59.121 58.200 -0.038 0.000 0.991 184 S CB -0.277 62.930 63.200 0.011 0.000 0.823 184 S HN 0.447 nan 8.310 nan 0.000 0.469 185 I N 1.054 121.520 120.570 -0.172 0.000 2.400 185 I HA -0.080 4.084 4.170 -0.010 0.000 0.248 185 I C 2.297 178.174 176.117 -0.401 0.000 1.109 185 I CA 0.853 61.958 61.300 -0.325 0.000 1.425 185 I CB -0.215 37.681 38.000 -0.174 0.000 1.094 185 I HN 0.256 nan 8.210 nan 0.000 0.425 186 V N -2.850 116.852 119.914 -0.353 0.000 2.725 186 V HA 0.005 4.119 4.120 -0.010 0.000 0.247 186 V C 1.798 177.722 176.094 -0.284 0.000 1.058 186 V CA 1.043 63.125 62.300 -0.364 0.000 1.080 186 V CB -0.588 30.836 31.823 -0.666 0.000 0.713 186 V HN 0.173 nan 8.190 nan 0.000 0.465 187 F N 1.709 121.586 119.950 -0.123 0.000 2.721 187 F HA 0.712 5.233 4.527 -0.010 0.000 0.301 187 F C 2.071 177.750 175.800 -0.201 0.000 1.096 187 F CA -0.064 57.828 58.000 -0.180 0.000 1.308 187 F CB 0.134 38.980 39.000 -0.257 0.000 1.086 187 F HN 0.390 nan 8.300 nan 0.000 0.587 188 G N -0.208 108.561 108.800 -0.053 0.000 2.358 188 G HA2 -0.256 3.698 3.960 -0.010 0.000 0.224 188 G HA3 -0.256 3.698 3.960 -0.010 0.000 0.224 188 G C -0.121 174.737 174.900 -0.071 0.000 1.073 188 G CA 0.311 45.366 45.100 -0.075 0.000 0.635 188 G HN 0.393 nan 8.290 nan 0.000 0.509 189 D N -0.710 119.633 120.400 -0.096 0.000 2.583 189 D HA 0.597 5.231 4.640 -0.010 0.000 0.248 189 D C 0.589 176.784 176.300 -0.176 0.000 1.209 189 D CA -0.373 53.559 54.000 -0.113 0.000 0.848 189 D CB 0.919 41.640 40.800 -0.132 0.000 1.431 189 D HN 0.612 nan 8.370 nan 0.000 0.436 190 R N 0.179 120.603 120.500 -0.127 0.000 2.652 190 R HA 0.522 4.856 4.340 -0.010 0.000 0.271 190 R C -0.546 175.572 176.300 -0.303 0.000 1.129 190 R CA -0.388 55.639 56.100 -0.122 0.000 1.200 190 R CB 0.341 30.658 30.300 0.028 0.000 1.146 190 R HN 0.197 nan 8.270 nan 0.000 0.581 191 F N -0.550 119.211 119.950 -0.314 0.000 2.440 191 F HA 0.207 4.728 4.527 -0.010 0.000 0.328 191 F C 0.747 176.375 175.800 -0.287 0.000 1.070 191 F CA -0.484 57.234 58.000 -0.471 0.000 1.011 191 F CB 1.241 39.441 39.000 -1.333 0.000 1.226 191 F HN 0.562 nan 8.300 nan 0.000 0.491 192 D N 0.814 121.246 120.400 0.054 0.000 2.302 192 D HA -0.022 4.612 4.640 -0.010 0.000 0.248 192 D C 0.442 176.879 176.300 0.229 0.000 1.094 192 D CA -0.139 53.875 54.000 0.023 0.000 0.897 192 D CB 0.748 41.557 40.800 0.015 0.000 1.200 192 D HN 0.425 nan 8.370 nan 0.000 0.429 193 Y N 1.940 122.316 120.300 0.128 0.000 2.651 193 Y HA -0.088 4.456 4.550 -0.010 0.000 0.293 193 Y C 1.677 177.629 175.900 0.085 0.000 1.151 193 Y CA 0.759 58.954 58.100 0.159 0.000 1.362 193 Y CB -0.041 38.470 38.460 0.086 0.000 0.973 193 Y HN 0.567 nan 8.280 nan 0.000 0.561 194 E N -1.040 119.289 120.200 0.215 0.000 2.562 194 E HA 0.005 4.349 4.350 -0.010 0.000 0.214 194 E C -0.015 176.638 176.600 0.088 0.000 0.979 194 E CA -0.209 56.250 56.400 0.099 0.000 1.002 194 E CB 0.348 30.081 29.700 0.056 0.000 1.048 194 E HN 0.104 nan 8.360 nan 0.000 0.488 195 D N 1.465 121.962 120.400 0.162 0.000 2.434 195 D HA -0.042 4.592 4.640 -0.010 0.000 0.252 195 D C 0.610 176.964 176.300 0.090 0.000 1.185 195 D CA 0.554 54.642 54.000 0.146 0.000 0.886 195 D CB 0.991 41.931 40.800 0.232 0.000 1.148 195 D HN -0.072 nan 8.370 nan 0.000 0.483 196 K N 2.728 123.142 120.400 0.025 0.000 2.155 196 K HA -0.102 4.212 4.320 -0.010 0.000 0.203 196 K C 1.700 178.260 176.600 -0.067 0.000 1.052 196 K CA 0.681 56.942 56.287 -0.043 0.000 0.948 196 K CB 0.201 32.674 32.500 -0.045 0.000 0.728 196 K HN 0.524 nan 8.250 nan 0.000 0.448 197 E N 0.274 120.461 120.200 -0.021 0.000 2.106 197 E HA -0.188 4.156 4.350 -0.010 0.000 0.192 197 E C 1.733 178.238 176.600 -0.159 0.000 0.984 197 E CA 0.725 57.091 56.400 -0.057 0.000 0.806 197 E CB -0.037 29.684 29.700 0.035 0.000 0.750 197 E HN 0.200 nan 8.360 nan 0.000 0.458 198 F N 1.729 121.457 119.950 -0.370 0.000 2.069 198 F HA -0.230 4.291 4.527 -0.010 0.000 0.298 198 F C 2.035 177.586 175.800 -0.415 0.000 1.113 198 F CA 1.467 59.079 58.000 -0.646 0.000 1.214 198 F CB -0.828 37.761 39.000 -0.685 0.000 0.978 198 F HN 0.161 nan 8.300 nan 0.000 0.474 199 L N -0.003 120.988 121.223 -0.387 0.000 2.042 199 L HA -0.156 4.178 4.340 -0.010 0.000 0.210 199 L C 2.623 179.253 176.870 -0.400 0.000 1.076 199 L CA 2.307 56.851 54.840 -0.494 0.000 0.749 199 L CB -1.488 40.322 42.059 -0.414 0.000 0.893 199 L HN 0.313 nan 8.230 nan 0.000 0.432 200 S N -0.855 114.669 115.700 -0.293 0.000 2.370 200 S HA -0.191 4.273 4.470 -0.010 0.000 0.226 200 S C 2.036 176.506 174.600 -0.218 0.000 1.033 200 S CA 1.777 59.841 58.200 -0.227 0.000 1.011 200 S CB -0.451 62.652 63.200 -0.163 0.000 0.852 200 S HN 0.532 nan 8.310 nan 0.000 0.457 201 L N 0.905 121.968 121.223 -0.266 0.000 2.056 201 L HA -0.053 4.281 4.340 -0.010 0.000 0.207 201 L C 2.479 179.208 176.870 -0.237 0.000 1.078 201 L CA 1.052 55.752 54.840 -0.234 0.000 0.749 201 L CB -0.566 41.324 42.059 -0.281 0.000 0.901 201 L HN 0.339 nan 8.230 nan 0.000 0.433 202 L N -0.596 120.442 121.223 -0.308 0.000 2.127 202 L HA -0.209 4.125 4.340 -0.010 0.000 0.211 202 L C 2.808 179.636 176.870 -0.070 0.000 1.089 202 L CA 1.271 55.956 54.840 -0.258 0.000 0.757 202 L CB -0.510 41.394 42.059 -0.260 0.000 0.899 202 L HN 0.244 nan 8.230 nan 0.000 0.434 203 R N -0.480 120.001 120.500 -0.032 0.000 2.090 203 R HA -0.069 4.265 4.340 -0.010 0.000 0.228 203 R C 2.344 178.623 176.300 -0.036 0.000 1.110 203 R CA 1.147 57.263 56.100 0.026 0.000 0.973 203 R CB -0.246 30.000 30.300 -0.090 0.000 0.869 203 R HN 0.328 nan 8.270 nan 0.000 0.440 204 M N 0.021 119.571 119.600 -0.083 0.000 2.108 204 M HA -0.202 4.272 4.480 -0.010 0.000 0.261 204 M C 2.357 178.621 176.300 -0.060 0.000 1.066 204 M CA 1.845 57.111 55.300 -0.055 0.000 1.107 204 M CB -0.257 32.318 32.600 -0.042 0.000 1.356 204 M HN 0.160 nan 8.290 nan 0.000 0.406 205 M N -0.077 119.381 119.600 -0.236 0.000 2.067 205 M HA -0.219 4.255 4.480 -0.010 0.000 0.260 205 M C 2.335 178.563 176.300 -0.120 0.000 1.069 205 M CA 1.668 56.652 55.300 -0.527 0.000 1.117 205 M CB -0.553 31.468 32.600 -0.965 0.000 1.334 205 M HN 0.321 nan 8.290 nan 0.000 0.407 206 L N 0.049 121.214 121.223 -0.096 0.000 2.017 206 L HA -0.119 4.215 4.340 -0.010 0.000 0.208 206 L C 2.367 179.320 176.870 0.139 0.000 1.073 206 L CA 1.805 56.660 54.840 0.026 0.000 0.745 206 L CB -0.777 41.237 42.059 -0.074 0.000 0.894 206 L HN 0.330 nan 8.230 nan 0.000 0.432 207 G N -0.829 108.024 108.800 0.087 0.000 2.433 207 G HA2 -0.325 3.629 3.960 -0.010 0.000 0.216 207 G HA3 -0.325 3.629 3.960 -0.010 0.000 0.216 207 G C 1.659 176.634 174.900 0.126 0.000 1.186 207 G CA 1.000 46.147 45.100 0.079 0.000 0.779 207 G HN 0.571 nan 8.290 nan 0.000 0.543 208 S N -0.017 115.786 115.700 0.172 0.000 2.406 208 S HA -0.011 4.453 4.470 -0.010 0.000 0.228 208 S C 2.124 176.934 174.600 0.350 0.000 1.020 208 S CA 1.113 59.427 58.200 0.189 0.000 0.965 208 S CB -0.436 62.891 63.200 0.212 0.000 0.798 208 S HN 0.252 nan 8.310 nan 0.000 0.488 209 F N 2.448 122.622 119.950 0.374 0.000 2.113 209 F HA 0.019 4.540 4.527 -0.010 0.000 0.297 209 F C 2.734 178.676 175.800 0.236 0.000 1.103 209 F CA 1.713 59.964 58.000 0.417 0.000 1.248 209 F CB -0.783 38.514 39.000 0.494 0.000 0.999 209 F HN 0.264 nan 8.300 nan 0.000 0.475 210 Q N -0.708 119.223 119.800 0.218 0.000 2.084 210 Q HA -0.267 4.067 4.340 -0.010 0.000 0.202 210 Q C 2.320 178.272 176.000 -0.080 0.000 0.978 210 Q CA 2.006 57.822 55.803 0.023 0.000 0.844 210 Q CB -0.613 28.181 28.738 0.094 0.000 0.898 210 Q HN 0.489 nan 8.270 nan 0.000 0.426 211 F N 1.202 121.067 119.950 -0.142 0.000 2.154 211 F HA -0.232 4.289 4.527 -0.010 0.000 0.301 211 F C 2.220 177.888 175.800 -0.220 0.000 1.087 211 F CA 2.061 59.929 58.000 -0.220 0.000 1.274 211 F CB -0.742 38.101 39.000 -0.262 0.000 1.009 211 F HN 0.192 nan 8.300 nan 0.000 0.485 212 T N -1.888 112.456 114.554 -0.351 0.000 3.051 212 T HA 0.050 4.395 4.350 -0.010 0.000 0.269 212 T C 1.824 176.357 174.700 -0.279 0.000 1.127 212 T CA 0.777 62.658 62.100 -0.365 0.000 1.107 212 T CB -0.708 68.102 68.868 -0.096 0.000 0.898 212 T HN 0.317 nan 8.240 nan 0.000 0.517 213 A N 1.508 124.144 122.820 -0.307 0.000 2.147 213 A HA 0.305 4.619 4.320 -0.010 0.000 0.211 213 A C 1.670 179.085 177.584 -0.281 0.000 1.160 213 A CA 0.620 52.516 52.037 -0.234 0.000 0.781 213 A CB -0.584 18.301 19.000 -0.191 0.000 0.842 213 A HN 0.702 nan 8.150 nan 0.000 0.475 214 T N -3.440 110.833 114.554 -0.467 0.000 2.754 214 T HA 0.295 4.639 4.350 -0.010 0.000 0.286 214 T C 1.267 175.792 174.700 -0.293 0.000 0.997 214 T CA 0.362 62.178 62.100 -0.473 0.000 0.982 214 T CB 1.074 69.619 68.868 -0.538 0.000 1.027 214 T HN 0.126 nan 8.240 nan 0.000 0.529 215 S N -0.123 115.473 115.700 -0.174 0.000 2.356 215 S HA -0.120 4.344 4.470 -0.010 0.000 0.223 215 S C 2.065 176.618 174.600 -0.079 0.000 1.032 215 S CA 1.924 60.078 58.200 -0.075 0.000 1.005 215 S CB -1.354 61.841 63.200 -0.009 0.000 0.867 215 S HN 0.837 nan 8.310 nan 0.000 0.449 216 T N 0.799 115.290 114.554 -0.105 0.000 2.867 216 T HA 0.033 4.377 4.350 -0.010 0.000 0.268 216 T C 1.848 176.443 174.700 -0.174 0.000 1.057 216 T CA 1.174 63.256 62.100 -0.030 0.000 1.136 216 T CB -0.890 68.025 68.868 0.078 0.000 0.874 216 T HN 0.564 nan 8.240 nan 0.000 0.466 217 G N 0.862 109.250 108.800 -0.687 0.000 2.422 217 G HA2 -0.191 3.763 3.960 -0.010 0.000 0.218 217 G HA3 -0.191 3.763 3.960 -0.010 0.000 0.218 217 G C 1.633 176.336 174.900 -0.329 0.000 1.146 217 G CA 0.427 44.859 45.100 -1.114 0.000 0.769 217 G HN 0.343 nan 8.290 nan 0.000 0.547 218 Q N -0.539 119.146 119.800 -0.191 0.000 2.212 218 Q HA 0.127 4.461 4.340 -0.010 0.000 0.199 218 Q C 2.522 178.536 176.000 0.023 0.000 0.950 218 Q CA 0.327 56.103 55.803 -0.044 0.000 0.863 218 Q CB -0.334 28.392 28.738 -0.019 0.000 0.944 218 Q HN 0.468 nan 8.270 nan 0.000 0.465 219 L N -0.053 121.212 121.223 0.069 0.000 2.131 219 L HA -0.169 4.165 4.340 -0.010 0.000 0.210 219 L C 2.149 179.114 176.870 0.158 0.000 1.092 219 L CA 1.546 56.487 54.840 0.168 0.000 0.759 219 L CB -0.630 41.569 42.059 0.233 0.000 0.903 219 L HN 0.158 nan 8.230 nan 0.000 0.435 220 Y N 0.048 120.378 120.300 0.051 0.000 2.274 220 Y HA -0.200 4.344 4.550 -0.010 0.000 0.290 220 Y C 2.321 178.243 175.900 0.036 0.000 1.145 220 Y CA 1.551 59.707 58.100 0.093 0.000 1.203 220 Y CB 0.129 38.680 38.460 0.153 0.000 0.984 220 Y HN 0.256 nan 8.280 nan 0.000 0.533 221 E N -0.143 120.057 120.200 -0.000 0.000 2.265 221 E HA -0.197 4.147 4.350 -0.010 0.000 0.196 221 E C 1.909 178.384 176.600 -0.209 0.000 0.996 221 E CA 1.493 57.853 56.400 -0.066 0.000 0.832 221 E CB -0.235 29.477 29.700 0.020 0.000 0.756 221 E HN 0.658 nan 8.360 nan 0.000 0.491 222 M N -1.545 117.845 119.600 -0.350 0.000 2.429 222 M HA 0.096 4.570 4.480 -0.010 0.000 0.265 222 M C 0.825 176.599 176.300 -0.876 0.000 1.120 222 M CA 0.791 55.657 55.300 -0.724 0.000 1.173 222 M CB 0.256 32.169 32.600 -1.146 0.000 1.343 222 M HN -0.067 nan 8.290 nan 0.000 0.464 223 F N -0.105 119.728 119.950 -0.195 0.000 2.791 223 F HA 0.201 4.722 4.527 -0.010 0.000 0.308 223 F C 1.964 177.653 175.800 -0.186 0.000 1.138 223 F CA -0.513 57.393 58.000 -0.156 0.000 1.294 223 F CB -0.086 38.856 39.000 -0.097 0.000 0.975 223 F HN 0.112 nan 8.300 nan 0.000 0.512 224 S N -0.323 115.178 115.700 -0.332 0.000 2.402 224 S HA -0.275 4.189 4.470 -0.010 0.000 0.233 224 S C 2.232 176.765 174.600 -0.111 0.000 1.030 224 S CA 1.666 59.487 58.200 -0.631 0.000 1.003 224 S CB -0.859 61.816 63.200 -0.875 0.000 0.813 224 S HN 0.475 nan 8.310 nan 0.000 0.477 225 S N 0.577 116.303 115.700 0.044 0.000 2.469 225 S HA 0.039 4.503 4.470 -0.010 0.000 0.238 225 S C 1.594 176.338 174.600 0.240 0.000 0.998 225 S CA 0.824 59.117 58.200 0.154 0.000 0.957 225 S CB -0.464 62.851 63.200 0.192 0.000 0.764 225 S HN 0.427 nan 8.310 nan 0.000 0.514 226 V N 0.842 120.907 119.914 0.250 0.000 2.908 226 V HA 0.226 4.341 4.120 -0.010 0.000 0.240 226 V C 2.368 178.607 176.094 0.242 0.000 1.117 226 V CA 0.984 63.445 62.300 0.267 0.000 1.133 226 V CB -0.399 31.561 31.823 0.230 0.000 0.857 226 V HN 0.387 nan 8.190 nan 0.000 0.478 227 M N 0.863 120.596 119.600 0.221 0.000 2.213 227 M HA -0.172 4.302 4.480 -0.010 0.000 0.263 227 M C 2.139 178.641 176.300 0.337 0.000 1.062 227 M CA 1.721 57.187 55.300 0.278 0.000 1.105 227 M CB -0.451 32.374 32.600 0.375 0.000 1.385 227 M HN 0.389 nan 8.290 nan 0.000 0.417 228 K N -0.538 120.064 120.400 0.337 0.000 2.360 228 K HA -0.163 4.151 4.320 -0.010 0.000 0.201 228 K C 0.857 177.461 176.600 0.007 0.000 1.046 228 K CA 1.264 57.727 56.287 0.292 0.000 0.945 228 K CB -0.311 32.278 32.500 0.148 0.000 0.750 228 K HN 0.468 nan 8.250 nan 0.000 0.464 229 H N 0.095 119.309 119.070 0.241 0.000 2.586 229 H HA 0.308 4.858 4.556 -0.010 0.000 0.273 229 H C 0.082 175.479 175.328 0.115 0.000 0.997 229 H CA -0.094 56.049 56.048 0.158 0.000 1.177 229 H CB 0.265 30.098 29.762 0.118 0.000 1.471 229 H HN 0.098 nan 8.280 nan 0.000 0.538 230 L N 1.348 122.684 121.223 0.188 0.000 2.333 230 L HA 0.402 4.736 4.340 -0.010 0.000 0.269 230 L C -2.271 174.634 176.870 0.059 0.000 1.010 230 L CA -2.173 52.737 54.840 0.117 0.000 0.818 230 L CB 1.949 44.072 42.059 0.108 0.000 1.306 230 L HN -0.166 nan 8.230 nan 0.000 0.430 231 P HA 0.361 nan 4.420 nan 0.000 0.269 231 P C -0.291 176.985 177.300 -0.039 0.000 1.215 231 P CA -0.008 63.083 63.100 -0.015 0.000 0.780 231 P CB 0.852 32.547 31.700 -0.008 0.000 0.898 232 G N 1.560 110.303 108.800 -0.095 0.000 2.352 232 G HA2 0.108 4.062 3.960 -0.010 0.000 0.302 232 G HA3 0.108 4.062 3.960 -0.010 0.000 0.302 232 G C -2.741 172.023 174.900 -0.226 0.000 1.370 232 G CA -0.778 44.255 45.100 -0.110 0.000 0.918 232 G HN 0.132 nan 8.290 nan 0.000 0.610 233 P HA -0.087 nan 4.420 nan 0.000 0.221 233 P C 2.002 178.803 177.300 -0.831 0.000 1.145 233 P CA 1.658 64.563 63.100 -0.325 0.000 0.795 233 P CB 0.185 31.846 31.700 -0.065 0.000 0.775 234 Q N -0.230 119.009 119.800 -0.936 0.000 2.170 234 Q HA -0.210 4.124 4.340 -0.010 0.000 0.203 234 Q C 1.617 176.506 176.000 -1.852 0.000 0.976 234 Q CA 1.416 56.168 55.803 -1.751 0.000 0.858 234 Q CB -1.101 26.865 28.738 -1.288 0.000 0.907 234 Q HN 0.303 nan 8.270 nan 0.000 0.433 235 Q N 0.812 119.999 119.800 -1.021 0.000 2.079 235 Q HA -0.159 4.175 4.340 -0.010 0.000 0.200 235 Q C 2.045 177.693 176.000 -0.586 0.000 0.974 235 Q CA 1.838 57.237 55.803 -0.672 0.000 0.840 235 Q CB -0.321 28.240 28.738 -0.295 0.000 0.898 235 Q HN 0.478 nan 8.270 nan 0.000 0.430 236 Q N 0.706 120.180 119.800 -0.543 0.000 2.084 236 Q HA -0.048 4.286 4.340 -0.010 0.000 0.202 236 Q C 1.850 177.572 176.000 -0.463 0.000 0.978 236 Q CA 1.852 57.418 55.803 -0.394 0.000 0.844 236 Q CB -0.455 28.094 28.738 -0.315 0.000 0.898 236 Q HN 0.316 nan 8.270 nan 0.000 0.426 237 A N -0.474 121.885 122.820 -0.769 0.000 1.902 237 A HA -0.109 4.205 4.320 -0.010 0.000 0.217 237 A C 1.781 179.056 177.584 -0.514 0.000 1.181 237 A CA 1.415 53.027 52.037 -0.709 0.000 0.623 237 A CB -0.837 17.438 19.000 -1.208 0.000 0.818 237 A HN 0.436 nan 8.150 nan 0.000 0.443 238 F N 0.303 119.815 119.950 -0.729 0.000 2.102 238 F HA -0.098 4.424 4.527 -0.010 0.000 0.298 238 F C 2.196 177.751 175.800 -0.408 0.000 1.105 238 F CA 1.251 58.730 58.000 -0.868 0.000 1.239 238 F CB -0.926 37.100 39.000 -1.624 0.000 0.991 238 F HN 0.249 nan 8.300 nan 0.000 0.474 239 K N 0.654 120.970 120.400 -0.140 0.000 2.074 239 K HA -0.247 4.067 4.320 -0.010 0.000 0.209 239 K C 1.876 178.473 176.600 -0.005 0.000 1.048 239 K CA 2.070 58.332 56.287 -0.043 0.000 0.926 239 K CB -0.195 32.256 32.500 -0.082 0.000 0.713 239 K HN 0.315 nan 8.250 nan 0.000 0.444 240 E N 0.495 120.667 120.200 -0.047 0.000 2.077 240 E HA -0.168 4.177 4.350 -0.010 0.000 0.193 240 E C 2.113 178.771 176.600 0.098 0.000 0.989 240 E CA 1.290 57.694 56.400 0.007 0.000 0.800 240 E CB -0.060 29.627 29.700 -0.021 0.000 0.746 240 E HN 0.303 nan 8.360 nan 0.000 0.452 241 L N 0.642 121.945 121.223 0.132 0.000 2.083 241 L HA -0.224 4.110 4.340 -0.010 0.000 0.209 241 L C 2.681 179.681 176.870 0.217 0.000 1.083 241 L CA 0.978 55.960 54.840 0.236 0.000 0.752 241 L CB -0.273 41.949 42.059 0.271 0.000 0.899 241 L HN 0.142 nan 8.230 nan 0.000 0.433 242 Q N 0.474 120.406 119.800 0.221 0.000 2.084 242 Q HA -0.134 4.200 4.340 -0.010 0.000 0.202 242 Q C 2.117 178.202 176.000 0.142 0.000 0.978 242 Q CA 1.938 57.859 55.803 0.196 0.000 0.844 242 Q CB -0.568 28.304 28.738 0.223 0.000 0.898 242 Q HN 0.400 nan 8.270 nan 0.000 0.426 243 G N -0.099 108.775 108.800 0.124 0.000 2.432 243 G HA2 -0.180 3.774 3.960 -0.010 0.000 0.219 243 G HA3 -0.180 3.774 3.960 -0.010 0.000 0.219 243 G C 1.283 176.279 174.900 0.161 0.000 1.135 243 G CA 0.806 45.974 45.100 0.114 0.000 0.767 243 G HN 0.376 nan 8.290 nan 0.000 0.550 244 L N -0.257 121.079 121.223 0.188 0.000 2.131 244 L HA 0.063 4.397 4.340 -0.010 0.000 0.206 244 L C 2.720 179.771 176.870 0.303 0.000 1.087 244 L CA 1.076 56.077 54.840 0.268 0.000 0.767 244 L CB -0.256 41.991 42.059 0.313 0.000 0.917 244 L HN 0.277 nan 8.230 nan 0.000 0.441 245 E N 0.367 120.695 120.200 0.213 0.000 2.077 245 E HA -0.244 4.100 4.350 -0.010 0.000 0.193 245 E C 1.566 178.248 176.600 0.136 0.000 0.989 245 E CA 1.480 57.969 56.400 0.148 0.000 0.800 245 E CB 0.124 29.856 29.700 0.054 0.000 0.746 245 E HN 0.415 nan 8.360 nan 0.000 0.452 246 D N 0.238 120.717 120.400 0.132 0.000 2.116 246 D HA -0.199 4.435 4.640 -0.010 0.000 0.193 246 D C 1.670 178.044 176.300 0.124 0.000 0.998 246 D CA 0.958 55.021 54.000 0.104 0.000 0.836 246 D CB -0.595 40.268 40.800 0.105 0.000 0.951 246 D HN 0.210 nan 8.370 nan 0.000 0.449 247 F N 1.575 121.545 119.950 0.034 0.000 2.069 247 F HA -0.209 4.312 4.527 -0.010 0.000 0.298 247 F C 2.185 177.969 175.800 -0.027 0.000 1.113 247 F CA 1.227 59.227 58.000 -0.001 0.000 1.214 247 F CB -0.176 38.833 39.000 0.013 0.000 0.978 247 F HN -0.128 nan 8.300 nan 0.000 0.474 248 I N 0.647 121.286 120.570 0.114 0.000 2.226 248 I HA -0.285 3.879 4.170 -0.010 0.000 0.245 248 I C 2.707 178.793 176.117 -0.053 0.000 1.100 248 I CA 1.483 62.805 61.300 0.036 0.000 1.374 248 I CB -2.145 35.984 38.000 0.215 0.000 1.057 248 I HN 0.269 nan 8.210 nan 0.000 0.413 249 A N 1.024 123.830 122.820 -0.023 0.000 1.933 249 A HA -0.230 4.084 4.320 -0.010 0.000 0.218 249 A C 2.485 180.024 177.584 -0.074 0.000 1.175 249 A CA 1.750 53.768 52.037 -0.031 0.000 0.628 249 A CB -0.524 18.469 19.000 -0.012 0.000 0.814 249 A HN 0.429 nan 8.150 nan 0.000 0.444 250 K N -0.301 120.018 120.400 -0.134 0.000 2.002 250 K HA -0.186 4.128 4.320 -0.010 0.000 0.209 250 K C 1.649 178.121 176.600 -0.213 0.000 1.048 250 K CA 1.504 57.691 56.287 -0.166 0.000 0.930 250 K CB -0.200 32.168 32.500 -0.219 0.000 0.714 250 K HN 0.187 nan 8.250 nan 0.000 0.438 251 K N 0.866 121.033 120.400 -0.387 0.000 2.147 251 K HA -0.066 4.248 4.320 -0.010 0.000 0.205 251 K C 2.202 178.722 176.600 -0.133 0.000 1.049 251 K CA 0.833 56.895 56.287 -0.375 0.000 0.936 251 K CB -0.386 31.753 32.500 -0.601 0.000 0.722 251 K HN 0.087 nan 8.250 nan 0.000 0.446 252 V N 1.601 121.474 119.914 -0.068 0.000 2.307 252 V HA -0.219 3.895 4.120 -0.010 0.000 0.245 252 V C 2.150 178.264 176.094 0.033 0.000 1.045 252 V CA 1.648 63.955 62.300 0.012 0.000 1.024 252 V CB -0.399 31.434 31.823 0.017 0.000 0.651 252 V HN 0.360 nan 8.190 nan 0.000 0.449 253 E N -0.696 119.512 120.200 0.012 0.000 2.058 253 E HA -0.279 4.065 4.350 -0.010 0.000 0.194 253 E C 2.235 178.868 176.600 0.055 0.000 0.997 253 E CA 1.559 57.972 56.400 0.022 0.000 0.801 253 E CB -0.334 29.366 29.700 -0.001 0.000 0.746 253 E HN 0.677 nan 8.360 nan 0.000 0.450 254 H N 1.557 120.589 119.070 -0.062 0.000 2.254 254 H HA -0.163 4.387 4.556 -0.010 0.000 0.294 254 H C 1.820 177.129 175.328 -0.033 0.000 1.071 254 H CA 2.287 58.300 56.048 -0.058 0.000 1.228 254 H CB -0.456 29.250 29.762 -0.093 0.000 1.358 254 H HN 0.027 nan 8.280 nan 0.000 0.495 255 N N 0.580 119.509 118.700 0.381 0.000 2.089 255 N HA -0.217 4.517 4.740 -0.010 0.000 0.198 255 N C 2.226 177.820 175.510 0.139 0.000 1.017 255 N CA 2.035 55.236 53.050 0.251 0.000 0.880 255 N CB -0.390 38.175 38.487 0.129 0.000 1.042 255 N HN 0.546 nan 8.380 nan 0.000 0.446 256 Q N -0.419 119.438 119.800 0.095 0.000 2.112 256 Q HA -0.200 4.135 4.340 -0.010 0.000 0.206 256 Q C 2.083 178.101 176.000 0.030 0.000 0.987 256 Q CA 1.741 57.580 55.803 0.060 0.000 0.858 256 Q CB -0.163 28.603 28.738 0.047 0.000 0.905 256 Q HN 0.592 nan 8.270 nan 0.000 0.420 257 R N 0.043 120.542 120.500 -0.002 0.000 2.189 257 R HA -0.035 4.299 4.340 -0.010 0.000 0.218 257 R C 1.454 177.729 176.300 -0.042 0.000 1.074 257 R CA 1.671 57.748 56.100 -0.039 0.000 0.991 257 R CB -0.310 29.938 30.300 -0.087 0.000 0.883 257 R HN 0.157 nan 8.270 nan 0.000 0.457 258 T N -1.315 113.223 114.554 -0.026 0.000 3.174 258 T HA 0.224 4.568 4.350 -0.010 0.000 0.269 258 T C 0.277 175.000 174.700 0.038 0.000 1.017 258 T CA -0.713 61.384 62.100 -0.005 0.000 0.899 258 T CB 0.112 68.978 68.868 -0.004 0.000 1.077 258 T HN 0.093 nan 8.240 nan 0.000 0.552 259 L N 2.787 124.035 121.223 0.043 0.000 2.490 259 L HA 0.450 4.785 4.340 -0.010 0.000 0.274 259 L C -0.325 176.568 176.870 0.038 0.000 1.201 259 L CA 0.369 55.241 54.840 0.053 0.000 0.869 259 L CB 0.523 42.615 42.059 0.055 0.000 1.123 259 L HN 0.191 nan 8.230 nan 0.000 0.484 260 D N 6.591 127.016 120.400 0.043 0.000 2.432 260 D HA 0.322 4.956 4.640 -0.010 0.000 0.265 260 D C -1.986 174.332 176.300 0.030 0.000 1.160 260 D CA -2.016 52.003 54.000 0.031 0.000 0.911 260 D CB 1.238 42.057 40.800 0.032 0.000 1.052 260 D HN 0.402 nan 8.370 nan 0.000 0.508 261 P HA -0.093 nan 4.420 nan 0.000 0.231 261 P C 0.250 177.553 177.300 0.005 0.000 1.154 261 P CA 0.575 63.684 63.100 0.015 0.000 0.762 261 P CB 0.412 32.117 31.700 0.008 0.000 0.790 262 N N -1.350 117.354 118.700 0.007 0.000 2.273 262 N HA 0.019 4.753 4.740 -0.010 0.000 0.192 262 N C 0.196 175.706 175.510 -0.000 0.000 1.132 262 N CA 0.317 53.366 53.050 -0.002 0.000 0.887 262 N CB 0.586 39.071 38.487 -0.003 0.000 1.048 262 N HN -0.010 nan 8.380 nan 0.000 0.490 263 S N 2.284 117.993 115.700 0.015 0.000 2.293 263 S HA 0.273 4.737 4.470 -0.010 0.000 0.154 263 S C -2.852 171.781 174.600 0.055 0.000 1.602 263 S CA -1.096 57.118 58.200 0.024 0.000 1.260 263 S CB 0.536 63.751 63.200 0.026 0.000 1.270 263 S HN -0.065 nan 8.310 nan 0.000 0.416 264 P HA 0.198 nan 4.420 nan 0.000 0.267 264 P C -0.123 177.307 177.300 0.217 0.000 1.205 264 P CA -0.256 62.925 63.100 0.135 0.000 0.765 264 P CB 0.828 32.605 31.700 0.128 0.000 0.828 265 R N 1.577 122.201 120.500 0.206 0.000 2.254 265 R HA 0.143 4.477 4.340 -0.010 0.000 0.195 265 R C 0.411 176.815 176.300 0.175 0.000 0.957 265 R CA 0.592 56.810 56.100 0.197 0.000 1.024 265 R CB -0.097 30.265 30.300 0.104 0.000 0.952 265 R HN 0.593 nan 8.270 nan 0.000 0.484 266 D N -3.054 117.445 120.400 0.166 0.000 2.779 266 D HA -0.034 4.600 4.640 -0.010 0.000 0.331 266 D C 0.078 176.386 176.300 0.012 0.000 1.331 266 D CA -0.882 52.988 54.000 -0.216 0.000 0.866 266 D CB -0.328 40.395 40.800 -0.128 0.000 1.409 266 D HN -0.156 nan 8.370 nan 0.000 0.486 267 F N 0.380 120.185 119.950 -0.241 0.000 2.126 267 F HA 0.007 4.528 4.527 -0.010 0.000 0.299 267 F C 1.856 177.813 175.800 0.261 0.000 1.096 267 F CA 1.525 59.591 58.000 0.110 0.000 1.255 267 F CB -0.139 38.874 39.000 0.021 0.000 0.997 267 F HN 0.336 nan 8.300 nan 0.000 0.479 268 I N 0.139 120.910 120.570 0.336 0.000 2.226 268 I HA -0.314 3.850 4.170 -0.010 0.000 0.245 268 I C 2.012 178.258 176.117 0.215 0.000 1.100 268 I CA 1.483 62.948 61.300 0.276 0.000 1.374 268 I CB -0.664 37.472 38.000 0.227 0.000 1.057 268 I HN 0.116 nan 8.210 nan 0.000 0.413 269 D N 0.781 121.292 120.400 0.186 0.000 2.097 269 D HA -0.135 4.499 4.640 -0.010 0.000 0.195 269 D C 2.401 178.800 176.300 0.164 0.000 0.989 269 D CA 1.523 55.622 54.000 0.165 0.000 0.827 269 D CB -0.255 40.641 40.800 0.159 0.000 0.966 269 D HN 0.194 nan 8.370 nan 0.000 0.456 270 S N 0.072 115.884 115.700 0.187 0.000 2.383 270 S HA -0.171 4.293 4.470 -0.010 0.000 0.229 270 S C 1.800 176.535 174.600 0.224 0.000 1.030 270 S CA 0.627 58.926 58.200 0.165 0.000 1.002 270 S CB -0.411 62.868 63.200 0.132 0.000 0.829 270 S HN 0.277 nan 8.310 nan 0.000 0.467 271 F N 1.801 121.791 119.950 0.067 0.000 2.163 271 F HA 0.052 4.573 4.527 -0.010 0.000 0.297 271 F C 1.910 177.684 175.800 -0.043 0.000 1.094 271 F CA 0.929 58.883 58.000 -0.078 0.000 1.290 271 F CB -0.177 38.754 39.000 -0.115 0.000 1.017 271 F HN 0.072 nan 8.300 nan 0.000 0.483 272 L N 0.015 121.409 121.223 0.286 0.000 2.042 272 L HA -0.281 4.053 4.340 -0.010 0.000 0.210 272 L C 2.361 179.278 176.870 0.078 0.000 1.076 272 L CA 1.474 56.429 54.840 0.191 0.000 0.749 272 L CB -0.733 41.417 42.059 0.152 0.000 0.893 272 L HN 0.199 nan 8.230 nan 0.000 0.432 273 I N -0.571 120.027 120.570 0.047 0.000 2.179 273 I HA -0.306 3.858 4.170 -0.010 0.000 0.242 273 I C 2.813 178.881 176.117 -0.083 0.000 1.088 273 I CA 1.060 62.356 61.300 -0.006 0.000 1.357 273 I CB -0.295 37.704 38.000 -0.000 0.000 1.051 273 I HN 0.227 nan 8.210 nan 0.000 0.409 274 R N 1.315 121.708 120.500 -0.178 0.000 2.081 274 R HA -0.136 4.198 4.340 -0.010 0.000 0.235 274 R C 2.140 178.243 176.300 -0.328 0.000 1.131 274 R CA 1.805 57.670 56.100 -0.392 0.000 0.960 274 R CB -0.511 29.297 30.300 -0.819 0.000 0.856 274 R HN 0.261 nan 8.270 nan 0.000 0.436 275 M N -0.215 119.269 119.600 -0.194 0.000 2.108 275 M HA -0.209 4.265 4.480 -0.010 0.000 0.261 275 M C 2.390 178.690 176.300 0.001 0.000 1.066 275 M CA 2.045 57.338 55.300 -0.011 0.000 1.107 275 M CB -0.281 32.406 32.600 0.146 0.000 1.356 275 M HN 0.238 nan 8.290 nan 0.000 0.406 276 Q N 0.617 120.412 119.800 -0.009 0.000 2.002 276 Q HA -0.225 4.109 4.340 -0.010 0.000 0.204 276 Q C 1.719 177.704 176.000 -0.024 0.000 0.988 276 Q CA 2.015 57.816 55.803 -0.003 0.000 0.843 276 Q CB -0.022 28.713 28.738 -0.004 0.000 0.908 276 Q HN 0.499 nan 8.270 nan 0.000 0.420 277 E N -0.206 119.958 120.200 -0.061 0.000 2.209 277 E HA -0.181 4.163 4.350 -0.010 0.000 0.196 277 E C 1.194 177.757 176.600 -0.061 0.000 0.993 277 E CA 0.871 57.229 56.400 -0.071 0.000 0.819 277 E CB 0.062 29.695 29.700 -0.112 0.000 0.745 277 E HN 0.365 nan 8.360 nan 0.000 0.477 278 E N 0.394 120.559 120.200 -0.058 0.000 2.463 278 E HA -0.003 4.341 4.350 -0.010 0.000 0.193 278 E C 1.084 177.703 176.600 0.032 0.000 1.041 278 E CA 0.008 56.400 56.400 -0.013 0.000 0.879 278 E CB 0.335 30.038 29.700 0.004 0.000 0.997 278 E HN 0.370 nan 8.360 nan 0.000 0.478 279 E N 0.984 121.199 120.200 0.026 0.000 2.085 279 E HA -0.217 4.127 4.350 -0.010 0.000 0.194 279 E C 1.709 178.329 176.600 0.033 0.000 0.994 279 E CA 1.163 57.586 56.400 0.038 0.000 0.801 279 E CB 0.069 29.785 29.700 0.027 0.000 0.743 279 E HN -0.065 nan 8.360 nan 0.000 0.453 280 K N 1.065 121.477 120.400 0.020 0.000 2.097 280 K HA -0.083 4.231 4.320 -0.010 0.000 0.206 280 K C 0.660 177.274 176.600 0.025 0.000 1.049 280 K CA 0.454 56.752 56.287 0.018 0.000 0.933 280 K CB -0.179 32.327 32.500 0.009 0.000 0.717 280 K HN -0.047 nan 8.250 nan 0.000 0.442 281 N N 1.073 119.792 118.700 0.032 0.000 2.416 281 N HA 0.006 4.740 4.740 -0.010 0.000 0.265 281 N C -2.106 173.439 175.510 0.058 0.000 1.195 281 N CA -1.563 51.513 53.050 0.043 0.000 0.943 281 N CB 0.986 39.502 38.487 0.048 0.000 1.115 281 N HN -0.014 nan 8.380 nan 0.000 0.481 282 P HA 0.012 nan 4.420 nan 0.000 0.249 282 P C -0.106 177.229 177.300 0.059 0.000 1.229 282 P CA 0.620 63.747 63.100 0.046 0.000 0.788 282 P CB 0.192 31.909 31.700 0.027 0.000 1.072 283 N N -0.652 118.092 118.700 0.073 0.000 2.184 283 N HA 0.009 4.744 4.740 -0.010 0.000 0.206 283 N C 0.140 175.725 175.510 0.124 0.000 1.151 283 N CA -0.036 53.065 53.050 0.084 0.000 0.878 283 N CB 0.482 39.006 38.487 0.062 0.000 1.014 283 N HN -0.093 nan 8.380 nan 0.000 0.512 284 T N 0.490 115.134 114.554 0.151 0.000 2.940 284 T HA -0.007 4.337 4.350 -0.010 0.000 0.309 284 T C 0.985 175.827 174.700 0.236 0.000 1.056 284 T CA 0.295 62.513 62.100 0.197 0.000 1.137 284 T CB 0.843 69.840 68.868 0.215 0.000 0.976 284 T HN 0.117 nan 8.240 nan 0.000 0.547 285 E N 2.944 123.179 120.200 0.058 0.000 2.447 285 E HA 0.064 4.408 4.350 -0.010 0.000 0.195 285 E C -0.104 176.082 176.600 -0.690 0.000 1.028 285 E CA 0.244 56.489 56.400 -0.259 0.000 0.876 285 E CB 0.113 29.573 29.700 -0.399 0.000 0.885 285 E HN 0.656 nan 8.360 nan 0.000 0.500 286 F N 2.220 122.060 119.950 -0.184 0.000 2.515 286 F HA 0.147 4.668 4.527 -0.010 0.000 0.353 286 F C 0.055 175.887 175.800 0.054 0.000 1.213 286 F CA -0.680 57.175 58.000 -0.242 0.000 1.194 286 F CB -0.361 38.325 39.000 -0.524 0.000 1.488 286 F HN -0.127 nan 8.300 nan 0.000 0.619 287 Y N -0.352 120.129 120.300 0.302 0.000 2.677 287 Y HA 0.495 5.039 4.550 -0.010 0.000 0.334 287 Y C 0.446 176.465 175.900 0.199 0.000 1.154 287 Y CA -1.746 56.482 58.100 0.215 0.000 1.070 287 Y CB 0.156 38.679 38.460 0.105 0.000 1.294 287 Y HN 0.095 nan 8.280 nan 0.000 0.475 288 L N 1.527 122.942 121.223 0.320 0.000 2.021 288 L HA -0.160 4.174 4.340 -0.010 0.000 0.215 288 L C 2.303 179.197 176.870 0.039 0.000 1.074 288 L CA 2.465 57.384 54.840 0.132 0.000 0.760 288 L CB -0.587 41.529 42.059 0.094 0.000 0.889 288 L HN 0.904 nan 8.230 nan 0.000 0.433 289 K N -0.671 119.804 120.400 0.125 0.000 2.032 289 K HA -0.204 4.110 4.320 -0.010 0.000 0.209 289 K C 1.982 178.559 176.600 -0.038 0.000 1.048 289 K CA 1.813 58.087 56.287 -0.021 0.000 0.927 289 K CB -0.184 32.206 32.500 -0.183 0.000 0.712 289 K HN 0.352 nan 8.250 nan 0.000 0.441 290 N N 0.586 119.232 118.700 -0.090 0.000 2.223 290 N HA -0.149 4.585 4.740 -0.010 0.000 0.185 290 N C 1.524 176.858 175.510 -0.294 0.000 1.016 290 N CA 0.890 53.862 53.050 -0.129 0.000 0.863 290 N CB -0.261 38.031 38.487 -0.326 0.000 0.983 290 N HN 0.171 nan 8.380 nan 0.000 0.429 291 L N 0.693 121.556 121.223 -0.599 0.000 2.005 291 L HA -0.055 4.279 4.340 -0.010 0.000 0.207 291 L C 1.983 178.649 176.870 -0.339 0.000 1.072 291 L CA 1.469 55.677 54.840 -1.053 0.000 0.744 291 L CB -0.915 40.601 42.059 -0.905 0.000 0.895 291 L HN -0.100 nan 8.230 nan 0.000 0.433 292 V N -0.144 119.682 119.914 -0.147 0.000 2.287 292 V HA -0.314 3.800 4.120 -0.010 0.000 0.248 292 V C 2.667 178.822 176.094 0.102 0.000 1.053 292 V CA 2.015 64.315 62.300 0.000 0.000 1.027 292 V CB -0.699 31.125 31.823 0.002 0.000 0.646 292 V HN 0.440 nan 8.190 nan 0.000 0.447 293 M N -0.402 119.280 119.600 0.136 0.000 2.175 293 M HA -0.096 4.378 4.480 -0.010 0.000 0.264 293 M C 2.276 178.815 176.300 0.398 0.000 1.063 293 M CA 1.776 57.301 55.300 0.375 0.000 1.119 293 M CB -1.791 31.114 32.600 0.508 0.000 1.377 293 M HN 0.383 nan 8.290 nan 0.000 0.415 294 T N 0.521 115.195 114.554 0.201 0.000 2.746 294 T HA -0.106 4.238 4.350 -0.010 0.000 0.267 294 T C 1.843 176.618 174.700 0.123 0.000 1.039 294 T CA 1.974 64.179 62.100 0.176 0.000 1.142 294 T CB -0.352 68.655 68.868 0.231 0.000 0.866 294 T HN 0.390 nan 8.240 nan 0.000 0.444 295 T N 2.494 117.118 114.554 0.117 0.000 2.746 295 T HA -0.043 4.301 4.350 -0.010 0.000 0.267 295 T C 1.862 176.662 174.700 0.167 0.000 1.039 295 T CA 0.751 62.876 62.100 0.043 0.000 1.142 295 T CB -0.441 68.507 68.868 0.134 0.000 0.866 295 T HN 0.089 nan 8.240 nan 0.000 0.444 296 L N 1.938 123.353 121.223 0.320 0.000 2.017 296 L HA -0.040 4.294 4.340 -0.010 0.000 0.208 296 L C 1.844 178.999 176.870 0.474 0.000 1.073 296 L CA 1.683 56.823 54.840 0.499 0.000 0.745 296 L CB -1.249 41.138 42.059 0.547 0.000 0.894 296 L HN 0.270 nan 8.230 nan 0.000 0.432 297 N N -0.759 118.147 118.700 0.342 0.000 2.061 297 N HA -0.249 4.485 4.740 -0.010 0.000 0.193 297 N C 1.856 177.393 175.510 0.046 0.000 1.030 297 N CA 1.777 54.882 53.050 0.092 0.000 0.856 297 N CB -0.293 38.137 38.487 -0.095 0.000 1.023 297 N HN 0.359 nan 8.380 nan 0.000 0.424 298 L N -0.502 120.734 121.223 0.023 0.000 2.056 298 L HA -0.121 4.213 4.340 -0.010 0.000 0.207 298 L C 2.178 179.086 176.870 0.063 0.000 1.078 298 L CA 0.807 55.622 54.840 -0.042 0.000 0.749 298 L CB -0.441 41.487 42.059 -0.218 0.000 0.901 298 L HN 0.194 nan 8.230 nan 0.000 0.433 299 F N 0.178 120.118 119.950 -0.017 0.000 2.146 299 F HA -0.216 4.305 4.527 -0.010 0.000 0.298 299 F C 2.258 178.138 175.800 0.134 0.000 1.096 299 F CA 1.108 59.132 58.000 0.040 0.000 1.275 299 F CB -0.459 38.619 39.000 0.130 0.000 1.008 299 F HN -0.095 nan 8.300 nan 0.000 0.480 300 F N 0.260 120.175 119.950 -0.059 0.000 2.060 300 F HA -0.067 4.454 4.527 -0.010 0.000 0.295 300 F C 2.467 178.135 175.800 -0.220 0.000 1.120 300 F CA 1.444 59.341 58.000 -0.172 0.000 1.205 300 F CB -0.555 38.481 39.000 0.060 0.000 0.986 300 F HN -0.012 nan 8.300 nan 0.000 0.470 301 A N 0.066 122.974 122.820 0.146 0.000 1.933 301 A HA -0.084 4.230 4.320 -0.010 0.000 0.218 301 A C 2.274 179.824 177.584 -0.057 0.000 1.175 301 A CA 1.537 53.557 52.037 -0.029 0.000 0.628 301 A CB -1.737 17.177 19.000 -0.143 0.000 0.814 301 A HN 0.512 nan 8.150 nan 0.000 0.444 302 G N -1.686 107.088 108.800 -0.045 0.000 2.498 302 G HA2 0.001 3.955 3.960 -0.010 0.000 0.219 302 G HA3 0.001 3.955 3.960 -0.010 0.000 0.219 302 G C 1.354 176.219 174.900 -0.058 0.000 1.119 302 G CA 1.633 46.713 45.100 -0.033 0.000 0.766 302 G HN 0.463 nan 8.290 nan 0.000 0.552 303 T N -0.183 114.281 114.554 -0.150 0.000 3.082 303 T HA 0.084 4.428 4.350 -0.010 0.000 0.235 303 T C 2.080 176.640 174.700 -0.234 0.000 0.991 303 T CA 0.792 62.759 62.100 -0.222 0.000 1.220 303 T CB -0.001 68.602 68.868 -0.441 0.000 0.909 303 T HN 0.175 nan 8.240 nan 0.000 0.424 304 E N 1.305 121.334 120.200 -0.284 0.000 2.153 304 E HA -0.115 4.229 4.350 -0.010 0.000 0.194 304 E C 2.346 178.753 176.600 -0.322 0.000 0.988 304 E CA 1.730 57.918 56.400 -0.353 0.000 0.811 304 E CB -0.427 28.994 29.700 -0.466 0.000 0.746 304 E HN 0.655 nan 8.360 nan 0.000 0.466 305 T N -2.211 112.197 114.554 -0.245 0.000 2.614 305 T HA -0.139 4.205 4.350 -0.010 0.000 0.263 305 T C 2.022 176.683 174.700 -0.064 0.000 1.055 305 T CA 1.592 63.608 62.100 -0.140 0.000 1.162 305 T CB -0.961 67.857 68.868 -0.084 0.000 0.863 305 T HN -0.008 nan 8.240 nan 0.000 0.414 306 V N 1.811 121.704 119.914 -0.035 0.000 2.392 306 V HA -0.154 3.960 4.120 -0.010 0.000 0.249 306 V C 3.112 179.161 176.094 -0.076 0.000 1.059 306 V CA 2.033 64.336 62.300 0.004 0.000 1.051 306 V CB -1.024 30.841 31.823 0.069 0.000 0.658 306 V HN 0.703 nan 8.190 nan 0.000 0.455 307 S N -0.513 115.105 115.700 -0.137 0.000 2.368 307 S HA -0.209 4.255 4.470 -0.010 0.000 0.225 307 S C 2.071 176.558 174.600 -0.189 0.000 1.030 307 S CA 2.285 60.356 58.200 -0.214 0.000 0.999 307 S CB -0.328 62.716 63.200 -0.259 0.000 0.844 307 S HN 0.687 nan 8.310 nan 0.000 0.459 308 T N 1.098 115.585 114.554 -0.111 0.000 2.821 308 T HA -0.042 4.302 4.350 -0.010 0.000 0.267 308 T C 1.872 176.599 174.700 0.046 0.000 1.046 308 T CA 1.758 63.845 62.100 -0.023 0.000 1.139 308 T CB -0.716 68.207 68.868 0.092 0.000 0.871 308 T HN 0.479 nan 8.240 nan 0.000 0.454 309 T N 2.298 116.880 114.554 0.046 0.000 2.821 309 T HA 0.115 4.459 4.350 -0.010 0.000 0.267 309 T C 1.969 176.723 174.700 0.090 0.000 1.046 309 T CA 0.696 62.869 62.100 0.122 0.000 1.139 309 T CB -0.334 68.607 68.868 0.123 0.000 0.871 309 T HN 0.238 nan 8.240 nan 0.000 0.454 310 L N 0.295 121.428 121.223 -0.151 0.000 2.027 310 L HA -0.038 4.296 4.340 -0.010 0.000 0.206 310 L C 3.019 179.538 176.870 -0.584 0.000 1.074 310 L CA 1.244 55.761 54.840 -0.537 0.000 0.745 310 L CB -0.440 41.176 42.059 -0.738 0.000 0.898 310 L HN 0.095 nan 8.230 nan 0.000 0.433 311 R N -0.772 119.514 120.500 -0.357 0.000 2.103 311 R HA -0.233 4.101 4.340 -0.010 0.000 0.242 311 R C 2.309 178.677 176.300 0.114 0.000 1.142 311 R CA 2.003 58.000 56.100 -0.172 0.000 0.960 311 R CB -0.538 29.686 30.300 -0.127 0.000 0.858 311 R HN 0.406 nan 8.270 nan 0.000 0.439 312 Y N -0.142 120.168 120.300 0.017 0.000 2.200 312 Y HA -0.175 4.369 4.550 -0.010 0.000 0.290 312 Y C 2.389 178.323 175.900 0.056 0.000 1.137 312 Y CA 0.785 58.926 58.100 0.068 0.000 1.163 312 Y CB -0.233 38.283 38.460 0.093 0.000 0.988 312 Y HN 0.203 nan 8.280 nan 0.000 0.518 313 G N -0.049 108.954 108.800 0.338 0.000 2.476 313 G HA2 -0.294 3.660 3.960 -0.010 0.000 0.218 313 G HA3 -0.294 3.660 3.960 -0.010 0.000 0.218 313 G C 1.558 176.721 174.900 0.439 0.000 1.164 313 G CA 1.038 46.377 45.100 0.398 0.000 0.768 313 G HN 0.489 nan 8.290 nan 0.000 0.560 314 F N -0.300 119.775 119.950 0.209 0.000 2.134 314 F HA -0.064 4.458 4.527 -0.009 0.000 0.299 314 F C 2.557 178.249 175.800 -0.181 0.000 1.097 314 F CA 0.283 58.260 58.000 -0.039 0.000 1.264 314 F CB -0.205 38.641 39.000 -0.257 0.000 1.001 314 F HN 0.124 nan 8.300 nan 0.000 0.479 315 L N 0.815 121.992 121.223 -0.077 0.000 2.042 315 L HA -0.208 4.126 4.340 -0.010 0.000 0.210 315 L C 2.051 178.796 176.870 -0.209 0.000 1.076 315 L CA 1.701 56.299 54.840 -0.404 0.000 0.749 315 L CB -0.793 40.992 42.059 -0.457 0.000 0.893 315 L HN 0.068 nan 8.230 nan 0.000 0.432 316 L N -1.615 119.496 121.223 -0.186 0.000 2.141 316 L HA -0.207 4.127 4.340 -0.010 0.000 0.209 316 L C 2.452 179.147 176.870 -0.292 0.000 1.094 316 L CA 0.899 55.463 54.840 -0.460 0.000 0.763 316 L CB -0.504 40.890 42.059 -1.110 0.000 0.908 316 L HN 0.280 nan 8.230 nan 0.000 0.437 317 L N -0.937 120.236 121.223 -0.084 0.000 2.056 317 L HA -0.191 4.143 4.340 -0.010 0.000 0.207 317 L C 2.526 179.447 176.870 0.086 0.000 1.078 317 L CA 1.332 56.220 54.840 0.080 0.000 0.749 317 L CB -0.262 41.971 42.059 0.290 0.000 0.901 317 L HN 0.313 nan 8.230 nan 0.000 0.433 318 M N -0.792 118.834 119.600 0.044 0.000 2.476 318 M HA -0.148 4.326 4.480 -0.010 0.000 0.262 318 M C 2.026 178.291 176.300 -0.058 0.000 1.079 318 M CA 1.045 56.346 55.300 0.001 0.000 1.104 318 M CB -0.092 32.473 32.600 -0.058 0.000 1.409 318 M HN 0.003 nan 8.290 nan 0.000 0.467 319 K N 0.033 120.383 120.400 -0.083 0.000 2.243 319 K HA -0.003 4.311 4.320 -0.010 0.000 0.201 319 K C 0.291 176.696 176.600 -0.326 0.000 1.051 319 K CA 1.014 57.194 56.287 -0.178 0.000 0.970 319 K CB 0.295 32.703 32.500 -0.152 0.000 0.755 319 K HN 0.328 nan 8.250 nan 0.000 0.465 320 H N -0.223 118.815 119.070 -0.053 0.000 2.336 320 H HA 0.211 4.760 4.556 -0.011 0.000 0.230 320 H C -2.218 173.126 175.328 0.027 0.000 1.426 320 H CA -1.772 54.287 56.048 0.019 0.000 1.359 320 H CB 1.406 31.233 29.762 0.110 0.000 1.555 320 H HN 0.079 nan 8.280 nan 0.000 0.512 321 P HA -0.212 nan 4.420 nan 0.000 0.217 321 P C 1.669 178.997 177.300 0.046 0.000 1.148 321 P CA 1.247 64.370 63.100 0.039 0.000 0.834 321 P CB 0.525 32.232 31.700 0.012 0.000 0.783 322 E N -0.648 119.592 120.200 0.067 0.000 2.204 322 E HA -0.115 4.229 4.350 -0.010 0.000 0.194 322 E C 1.693 178.341 176.600 0.080 0.000 0.989 322 E CA 0.916 57.351 56.400 0.058 0.000 0.824 322 E CB -0.864 28.874 29.700 0.064 0.000 0.756 322 E HN -0.004 nan 8.360 nan 0.000 0.477 323 V N 0.477 120.482 119.914 0.150 0.000 2.446 323 V HA -0.120 3.994 4.120 -0.010 0.000 0.244 323 V C 2.341 178.515 176.094 0.133 0.000 1.039 323 V CA 1.735 64.165 62.300 0.216 0.000 1.045 323 V CB -0.433 31.556 31.823 0.277 0.000 0.681 323 V HN 0.378 nan 8.190 nan 0.000 0.459 324 E N 0.861 121.074 120.200 0.022 0.000 2.118 324 E HA -0.240 4.104 4.350 -0.010 0.000 0.195 324 E C 2.154 178.545 176.600 -0.348 0.000 0.992 324 E CA 1.463 57.745 56.400 -0.196 0.000 0.804 324 E CB -0.153 29.423 29.700 -0.207 0.000 0.741 324 E HN 0.548 nan 8.360 nan 0.000 0.458 325 A N 1.741 124.490 122.820 -0.118 0.000 1.845 325 A HA -0.220 4.094 4.320 -0.010 0.000 0.215 325 A C 2.065 179.621 177.584 -0.048 0.000 1.195 325 A CA 1.957 53.974 52.037 -0.033 0.000 0.616 325 A CB -0.502 18.503 19.000 0.007 0.000 0.832 325 A HN 0.220 nan 8.150 nan 0.000 0.443 326 K N -0.341 120.006 120.400 -0.087 0.000 2.360 326 K HA -0.044 4.270 4.320 -0.010 0.000 0.201 326 K C 1.659 178.207 176.600 -0.087 0.000 1.046 326 K CA 1.147 57.300 56.287 -0.223 0.000 0.940 326 K CB -0.285 31.823 32.500 -0.654 0.000 0.748 326 K HN 0.344 nan 8.250 nan 0.000 0.465 327 V N 0.696 120.638 119.914 0.047 0.000 2.346 327 V HA -0.177 3.937 4.120 -0.010 0.000 0.244 327 V C 2.037 178.159 176.094 0.047 0.000 1.037 327 V CA 1.414 63.773 62.300 0.099 0.000 1.029 327 V CB -0.485 31.333 31.823 -0.008 0.000 0.663 327 V HN 0.319 nan 8.190 nan 0.000 0.454 328 H N 0.850 119.926 119.070 0.009 0.000 2.319 328 H HA -0.190 4.359 4.556 -0.012 0.000 0.299 328 H C 2.383 177.703 175.328 -0.013 0.000 1.092 328 H CA 2.078 58.113 56.048 -0.022 0.000 1.302 328 H CB -0.365 29.367 29.762 -0.050 0.000 1.373 328 H HN 0.660 nan 8.280 nan 0.000 0.497 329 E N 1.348 121.614 120.200 0.111 0.000 2.153 329 E HA -0.188 4.156 4.350 -0.010 0.000 0.194 329 E C 2.085 178.708 176.600 0.038 0.000 0.988 329 E CA 1.779 58.205 56.400 0.043 0.000 0.811 329 E CB -0.203 29.493 29.700 -0.007 0.000 0.746 329 E HN 0.621 nan 8.360 nan 0.000 0.466 330 E N -0.131 120.102 120.200 0.054 0.000 2.158 330 E HA -0.051 4.293 4.350 -0.010 0.000 0.191 330 E C 1.983 178.632 176.600 0.081 0.000 0.982 330 E CA 0.879 57.322 56.400 0.072 0.000 0.823 330 E CB -0.072 29.698 29.700 0.117 0.000 0.766 330 E HN 0.438 nan 8.360 nan 0.000 0.468 331 I N 1.540 122.162 120.570 0.087 0.000 2.110 331 I HA -0.259 3.906 4.170 -0.010 0.000 0.236 331 I C 1.886 178.040 176.117 0.061 0.000 1.068 331 I CA 1.240 62.588 61.300 0.081 0.000 1.333 331 I CB -0.355 37.701 38.000 0.092 0.000 1.054 331 I HN 0.082 nan 8.210 nan 0.000 0.402 332 D N 0.518 120.948 120.400 0.049 0.000 2.158 332 D HA -0.236 4.398 4.640 -0.010 0.000 0.197 332 D C 2.163 178.478 176.300 0.025 0.000 0.995 332 D CA 1.279 55.294 54.000 0.025 0.000 0.846 332 D CB -0.361 40.445 40.800 0.010 0.000 0.941 332 D HN 0.323 nan 8.370 nan 0.000 0.456 333 R N 0.261 120.779 120.500 0.031 0.000 2.153 333 R HA -0.006 4.328 4.340 -0.010 0.000 0.218 333 R C 1.625 177.945 176.300 0.034 0.000 1.072 333 R CA 0.675 56.791 56.100 0.027 0.000 0.990 333 R CB 0.261 30.575 30.300 0.022 0.000 0.889 333 R HN 0.032 nan 8.270 nan 0.000 0.452 334 V N -0.137 119.806 119.914 0.048 0.000 2.788 334 V HA 0.057 4.171 4.120 -0.010 0.000 0.241 334 V C 1.867 177.996 176.094 0.058 0.000 1.083 334 V CA 0.792 63.124 62.300 0.054 0.000 1.103 334 V CB 0.258 32.125 31.823 0.072 0.000 0.800 334 V HN 0.218 nan 8.190 nan 0.000 0.476 335 I N -0.379 120.230 120.570 0.066 0.000 3.081 335 I HA 0.480 4.644 4.170 -0.010 0.000 0.274 335 I C 1.230 177.375 176.117 0.046 0.000 1.178 335 I CA 1.001 62.342 61.300 0.067 0.000 1.460 335 I CB 0.146 38.198 38.000 0.086 0.000 1.137 335 I HN 0.455 nan 8.210 nan 0.000 0.443 336 G N 1.414 110.236 108.800 0.037 0.000 2.710 336 G HA2 -0.206 3.748 3.960 -0.010 0.000 0.668 336 G HA3 -0.206 3.748 3.960 -0.010 0.000 0.668 336 G C 0.031 174.939 174.900 0.014 0.000 1.320 336 G CA -0.379 44.734 45.100 0.022 0.000 0.860 336 G HN 0.190 nan 8.290 nan 0.000 0.538 337 K N 0.510 120.910 120.400 0.001 0.000 2.393 337 K HA 0.023 4.338 4.320 -0.010 0.000 0.193 337 K C 2.044 178.639 176.600 -0.008 0.000 1.026 337 K CA 0.745 57.024 56.287 -0.013 0.000 1.064 337 K CB 0.043 32.527 32.500 -0.027 0.000 0.833 337 K HN 0.539 nan 8.250 nan 0.000 0.521 338 N N 1.719 120.422 118.700 0.005 0.000 2.288 338 N HA -0.096 4.638 4.740 -0.010 0.000 0.199 338 N C 0.769 176.290 175.510 0.019 0.000 1.043 338 N CA 0.480 53.536 53.050 0.010 0.000 0.947 338 N CB -0.639 37.855 38.487 0.012 0.000 1.140 338 N HN -0.070 nan 8.380 nan 0.000 0.490 339 R N 2.452 122.968 120.500 0.027 0.000 2.594 339 R HA 0.032 4.367 4.340 -0.010 0.000 0.272 339 R C -0.186 176.141 176.300 0.046 0.000 1.074 339 R CA -0.215 55.906 56.100 0.035 0.000 1.105 339 R CB -0.142 30.180 30.300 0.037 0.000 1.008 339 R HN 0.573 nan 8.270 nan 0.000 0.472 340 Q N 2.785 122.615 119.800 0.050 0.000 2.337 340 Q HA 0.276 4.610 4.340 -0.010 0.000 0.270 340 Q C -2.112 173.938 176.000 0.084 0.000 1.002 340 Q CA -1.757 54.083 55.803 0.062 0.000 0.888 340 Q CB -0.215 28.556 28.738 0.055 0.000 1.222 340 Q HN 0.405 nan 8.270 nan 0.000 0.400 341 P HA -0.064 nan 4.420 nan 0.000 0.269 341 P C -1.054 176.359 177.300 0.188 0.000 1.217 341 P CA 0.134 63.331 63.100 0.163 0.000 0.783 341 P CB 0.425 32.227 31.700 0.169 0.000 0.898 342 K N 0.980 121.523 120.400 0.239 0.000 2.477 342 K HA 0.356 4.670 4.320 -0.010 0.000 0.255 342 K C 0.070 176.831 176.600 0.269 0.000 0.952 342 K CA -0.696 55.718 56.287 0.211 0.000 0.826 342 K CB 0.855 33.429 32.500 0.123 0.000 1.331 342 K HN 0.067 nan 8.250 nan 0.000 0.437 343 F N 1.968 121.925 119.950 0.011 0.000 2.120 343 F HA -0.202 4.319 4.527 -0.009 0.000 0.300 343 F C 2.153 177.751 175.800 -0.337 0.000 1.095 343 F CA 2.077 59.958 58.000 -0.199 0.000 1.249 343 F CB -0.119 38.799 39.000 -0.136 0.000 0.995 343 F HN 0.953 nan 8.300 nan 0.000 0.480 344 E N -0.180 119.936 120.200 -0.141 0.000 2.219 344 E HA -0.246 4.098 4.350 -0.010 0.000 0.198 344 E C 1.504 177.970 176.600 -0.224 0.000 0.998 344 E CA 1.495 57.769 56.400 -0.210 0.000 0.818 344 E CB -0.227 29.432 29.700 -0.068 0.000 0.741 344 E HN 0.411 nan 8.360 nan 0.000 0.477 345 D N 0.359 120.682 120.400 -0.128 0.000 2.310 345 D HA -0.175 4.459 4.640 -0.010 0.000 0.212 345 D C 1.936 178.193 176.300 -0.073 0.000 0.965 345 D CA 0.898 54.894 54.000 -0.007 0.000 0.879 345 D CB -0.310 40.615 40.800 0.208 0.000 0.921 345 D HN 0.464 nan 8.370 nan 0.000 0.510 346 R N 1.050 121.245 120.500 -0.510 0.000 2.159 346 R HA -0.001 4.333 4.340 -0.010 0.000 0.237 346 R C 2.030 178.170 176.300 -0.265 0.000 1.131 346 R CA 1.325 57.115 56.100 -0.516 0.000 0.982 346 R CB -0.478 29.130 30.300 -1.152 0.000 0.868 346 R HN 0.041 nan 8.270 nan 0.000 0.453 347 A N 1.780 124.442 122.820 -0.264 0.000 2.019 347 A HA -0.095 4.219 4.320 -0.010 0.000 0.219 347 A C 1.536 179.078 177.584 -0.070 0.000 1.164 347 A CA 1.261 53.196 52.037 -0.170 0.000 0.644 347 A CB -0.128 18.778 19.000 -0.156 0.000 0.805 347 A HN 0.378 nan 8.150 nan 0.000 0.449 348 K N -1.084 119.298 120.400 -0.030 0.000 2.437 348 K HA 0.337 4.651 4.320 -0.010 0.000 0.205 348 K C -0.377 176.261 176.600 0.063 0.000 1.026 348 K CA 0.088 56.386 56.287 0.019 0.000 1.153 348 K CB 0.268 32.782 32.500 0.024 0.000 0.863 348 K HN 0.464 nan 8.250 nan 0.000 0.502 349 M N 1.249 120.897 119.600 0.080 0.000 3.053 349 M HA 0.160 4.634 4.480 -0.010 0.000 0.293 349 M C -2.098 174.290 176.300 0.147 0.000 1.470 349 M CA -1.417 53.969 55.300 0.143 0.000 0.582 349 M CB 1.212 33.945 32.600 0.223 0.000 1.435 349 M HN -0.180 nan 8.290 nan 0.000 0.451 350 P HA -0.222 nan 4.420 nan 0.000 0.218 350 P C 1.109 178.555 177.300 0.243 0.000 1.148 350 P CA 1.570 64.796 63.100 0.210 0.000 0.822 350 P CB 0.096 31.922 31.700 0.211 0.000 0.784 351 Y N 1.126 121.493 120.300 0.111 0.000 2.263 351 Y HA -0.090 4.459 4.550 -0.003 0.000 0.292 351 Y C 2.364 178.309 175.900 0.076 0.000 1.130 351 Y CA 1.879 60.026 58.100 0.080 0.000 1.179 351 Y CB -0.833 37.650 38.460 0.039 0.000 0.998 351 Y HN -0.107 nan 8.280 nan 0.000 0.532 352 T N 0.055 114.664 114.554 0.091 0.000 2.812 352 T HA -0.121 4.223 4.350 -0.010 0.000 0.264 352 T C 1.665 176.375 174.700 0.016 0.000 1.042 352 T CA 1.350 63.460 62.100 0.016 0.000 1.140 352 T CB -0.110 68.807 68.868 0.081 0.000 0.870 352 T HN 0.293 nan 8.240 nan 0.000 0.445 353 E N 1.142 121.406 120.200 0.107 0.000 2.153 353 E HA -0.060 4.284 4.350 -0.010 0.000 0.194 353 E C 2.446 179.150 176.600 0.172 0.000 0.988 353 E CA 1.012 57.476 56.400 0.106 0.000 0.811 353 E CB -0.245 29.349 29.700 -0.175 0.000 0.746 353 E HN 0.487 nan 8.360 nan 0.000 0.466 354 A N 0.765 123.665 122.820 0.134 0.000 1.872 354 A HA -0.103 4.211 4.320 -0.010 0.000 0.214 354 A C 2.575 180.094 177.584 -0.108 0.000 1.187 354 A CA 1.132 53.191 52.037 0.036 0.000 0.614 354 A CB -0.637 18.320 19.000 -0.072 0.000 0.826 354 A HN 0.124 nan 8.150 nan 0.000 0.442 355 V N 0.336 120.088 119.914 -0.269 0.000 2.392 355 V HA -0.277 3.837 4.120 -0.010 0.000 0.249 355 V C 2.396 178.422 176.094 -0.114 0.000 1.059 355 V CA 2.075 64.220 62.300 -0.258 0.000 1.051 355 V CB -0.655 30.981 31.823 -0.312 0.000 0.658 355 V HN 0.559 nan 8.190 nan 0.000 0.455 356 I N -1.023 119.498 120.570 -0.081 0.000 2.233 356 I HA -0.198 3.966 4.170 -0.010 0.000 0.243 356 I C 2.485 178.634 176.117 0.053 0.000 1.093 356 I CA 1.429 62.711 61.300 -0.030 0.000 1.380 356 I CB -0.497 37.556 38.000 0.088 0.000 1.067 356 I HN 0.323 nan 8.210 nan 0.000 0.413 357 H N 0.307 119.265 119.070 -0.186 0.000 2.319 357 H HA -0.227 4.323 4.556 -0.009 0.000 0.299 357 H C 2.081 177.295 175.328 -0.190 0.000 1.092 357 H CA 1.819 57.592 56.048 -0.458 0.000 1.302 357 H CB -0.122 28.765 29.762 -1.458 0.000 1.373 357 H HN 0.225 nan 8.280 nan 0.000 0.497 358 E N 0.479 120.693 120.200 0.025 0.000 2.204 358 E HA -0.090 4.254 4.350 -0.010 0.000 0.194 358 E C 1.988 178.734 176.600 0.244 0.000 0.989 358 E CA 0.760 57.270 56.400 0.183 0.000 0.824 358 E CB -0.333 29.314 29.700 -0.088 0.000 0.756 358 E HN 0.509 nan 8.360 nan 0.000 0.477 359 I N 0.305 121.022 120.570 0.246 0.000 2.252 359 I HA -0.279 3.886 4.170 -0.010 0.000 0.245 359 I C 2.421 178.659 176.117 0.201 0.000 1.102 359 I CA 1.170 62.647 61.300 0.295 0.000 1.385 359 I CB -0.228 37.878 38.000 0.178 0.000 1.064 359 I HN 0.219 nan 8.210 nan 0.000 0.414 360 Q N 0.065 119.975 119.800 0.183 0.000 2.079 360 Q HA -0.213 4.121 4.340 -0.010 0.000 0.200 360 Q C 2.353 178.387 176.000 0.056 0.000 0.974 360 Q CA 1.173 57.039 55.803 0.104 0.000 0.840 360 Q CB -0.181 28.631 28.738 0.124 0.000 0.898 360 Q HN 0.407 nan 8.270 nan 0.000 0.430 361 R N 0.091 120.701 120.500 0.185 0.000 2.073 361 R HA -0.168 4.166 4.340 -0.010 0.000 0.234 361 R C 2.092 178.380 176.300 -0.021 0.000 1.134 361 R CA 1.397 57.549 56.100 0.087 0.000 0.952 361 R CB -0.293 30.109 30.300 0.170 0.000 0.850 361 R HN 0.208 nan 8.270 nan 0.000 0.433 362 F N 0.539 120.455 119.950 -0.057 0.000 2.146 362 F HA 0.010 4.532 4.527 -0.008 0.000 0.298 362 F C 2.048 177.703 175.800 -0.241 0.000 1.096 362 F CA 1.762 59.700 58.000 -0.102 0.000 1.275 362 F CB -0.528 38.495 39.000 0.038 0.000 1.008 362 F HN 0.125 nan 8.300 nan 0.000 0.480 363 G N -0.684 108.048 108.800 -0.112 0.000 2.432 363 G HA2 -0.311 3.643 3.960 -0.010 0.000 0.219 363 G HA3 -0.311 3.643 3.960 -0.010 0.000 0.219 363 G C 0.242 175.043 174.900 -0.166 0.000 1.135 363 G CA 0.835 45.787 45.100 -0.247 0.000 0.767 363 G HN 0.445 nan 8.290 nan 0.000 0.550 364 D N -0.987 119.294 120.400 -0.198 0.000 2.810 364 D HA -0.236 4.398 4.640 -0.010 0.000 0.224 364 D C 1.332 177.512 176.300 -0.200 0.000 1.222 364 D CA 0.664 54.521 54.000 -0.239 0.000 0.698 364 D CB -1.229 39.376 40.800 -0.325 0.000 0.961 364 D HN 0.382 nan 8.370 nan 0.000 0.403 365 M N 0.676 120.179 119.600 -0.161 0.000 2.073 365 M HA -0.158 4.316 4.480 -0.010 0.000 0.258 365 M C 0.622 176.797 176.300 -0.209 0.000 1.070 365 M CA 1.500 56.733 55.300 -0.111 0.000 1.103 365 M CB 0.083 32.640 32.600 -0.072 0.000 1.321 365 M HN 0.369 nan 8.290 nan 0.000 0.405 366 L N 0.764 121.813 121.223 -0.290 0.000 2.371 366 L HA 0.236 4.570 4.340 -0.010 0.000 0.262 366 L C -1.769 174.903 176.870 -0.329 0.000 1.054 366 L CA -1.609 52.971 54.840 -0.434 0.000 0.924 366 L CB 0.410 42.189 42.059 -0.467 0.000 1.295 366 L HN 0.085 nan 8.230 nan 0.000 0.441 367 P HA -0.160 nan 4.420 nan 0.000 0.216 367 P C 1.071 178.328 177.300 -0.073 0.000 1.150 367 P CA 1.536 64.483 63.100 -0.255 0.000 0.837 367 P CB 0.315 31.796 31.700 -0.366 0.000 0.786 368 M N -1.068 118.495 119.600 -0.063 0.000 2.493 368 M HA 0.285 4.759 4.480 -0.010 0.000 0.244 368 M C 0.952 177.175 176.300 -0.127 0.000 1.182 368 M CA 0.095 55.394 55.300 -0.001 0.000 0.981 368 M CB -0.023 32.584 32.600 0.011 0.000 1.551 368 M HN -0.065 nan 8.290 nan 0.000 0.476 369 G N 2.187 110.893 108.800 -0.157 0.000 2.692 369 G HA2 -0.248 3.707 3.960 -0.010 0.000 0.248 369 G HA3 -0.248 3.707 3.960 -0.010 0.000 0.248 369 G C -1.112 173.729 174.900 -0.098 0.000 1.340 369 G CA -0.674 44.346 45.100 -0.132 0.000 0.896 369 G HN 0.348 nan 8.290 nan 0.000 0.570 370 L N 0.577 121.814 121.223 0.024 0.000 2.296 370 L HA 0.806 5.140 4.340 -0.010 0.000 0.286 370 L C 0.967 177.895 176.870 0.097 0.000 1.023 370 L CA 0.171 55.095 54.840 0.141 0.000 0.812 370 L CB 0.943 43.078 42.059 0.127 0.000 1.223 370 L HN 1.948 nan 8.230 nan 0.000 0.421 371 A N 4.787 127.611 122.820 0.006 0.000 2.540 371 A HA 0.217 4.531 4.320 -0.010 0.000 0.239 371 A C 0.046 177.724 177.584 0.156 0.000 1.061 371 A CA 0.352 52.435 52.037 0.076 0.000 0.758 371 A CB -0.404 18.644 19.000 0.080 0.000 0.991 371 A HN 0.905 nan 8.150 nan 0.000 0.502 372 H N 0.975 120.101 119.070 0.093 0.000 2.915 372 H HA 0.783 5.333 4.556 -0.010 0.000 0.298 372 H C 0.130 175.506 175.328 0.079 0.000 1.516 372 H CA -0.493 55.604 56.048 0.081 0.000 1.480 372 H CB 1.551 31.375 29.762 0.102 0.000 1.847 372 H HN 0.853 nan 8.280 nan 0.000 0.806 373 R N -0.628 119.981 120.500 0.182 0.000 2.664 373 R HA 0.326 4.660 4.340 -0.010 0.000 0.260 373 R C -1.684 174.592 176.300 -0.040 0.000 1.062 373 R CA -0.812 55.319 56.100 0.051 0.000 0.902 373 R CB 0.719 31.030 30.300 0.018 0.000 1.258 373 R HN 0.359 nan 8.270 nan 0.000 0.465 374 V N 1.266 121.074 119.914 -0.176 0.000 2.614 374 V HA 0.260 4.374 4.120 -0.010 0.000 0.291 374 V C 0.397 176.379 176.094 -0.186 0.000 1.049 374 V CA -0.192 61.919 62.300 -0.316 0.000 1.038 374 V CB 0.937 32.460 31.823 -0.500 0.000 0.980 374 V HN 0.995 nan 8.190 nan 0.000 0.481 375 N N 2.127 120.736 118.700 -0.152 0.000 2.322 375 N HA 0.148 4.882 4.740 -0.010 0.000 0.194 375 N C -0.019 175.437 175.510 -0.090 0.000 1.126 375 N CA -0.041 52.954 53.050 -0.092 0.000 0.845 375 N CB -0.101 38.356 38.487 -0.051 0.000 0.976 375 N HN 0.970 nan 8.380 nan 0.000 0.475 376 K N -2.262 118.061 120.400 -0.128 0.000 2.672 376 K HA 0.282 4.596 4.320 -0.010 0.000 0.295 376 K C -2.021 174.480 176.600 -0.164 0.000 1.042 376 K CA -0.909 55.313 56.287 -0.107 0.000 0.869 376 K CB 0.186 32.651 32.500 -0.057 0.000 1.541 376 K HN -0.308 nan 8.250 nan 0.000 0.396 377 D N 1.584 121.892 120.400 -0.154 0.000 2.434 377 D HA 0.174 4.809 4.640 -0.010 0.000 0.252 377 D C -0.839 175.352 176.300 -0.182 0.000 1.185 377 D CA 0.763 54.583 54.000 -0.299 0.000 0.886 377 D CB 0.814 41.475 40.800 -0.232 0.000 1.148 377 D HN 0.416 nan 8.370 nan 0.000 0.483 378 T N 2.205 116.596 114.554 -0.272 0.000 2.848 378 T HA 0.333 4.677 4.350 -0.010 0.000 0.285 378 T C -0.032 174.820 174.700 0.254 0.000 0.995 378 T CA -0.864 61.228 62.100 -0.014 0.000 0.970 378 T CB 1.587 70.331 68.868 -0.207 0.000 0.976 378 T HN 0.070 nan 8.240 nan 0.000 0.441 379 K N 2.763 123.432 120.400 0.448 0.000 2.248 379 K HA 0.559 4.873 4.320 -0.010 0.000 0.281 379 K C -1.564 175.309 176.600 0.455 0.000 1.054 379 K CA -0.663 55.923 56.287 0.499 0.000 0.903 379 K CB 0.233 32.912 32.500 0.299 0.000 1.077 379 K HN 0.452 nan 8.250 nan 0.000 0.474 380 F N 5.904 126.034 119.950 0.299 0.000 2.539 380 F HA 0.462 4.982 4.527 -0.010 0.000 0.328 380 F C 0.300 176.238 175.800 0.230 0.000 1.148 380 F CA -0.393 57.791 58.000 0.307 0.000 0.940 380 F CB 0.719 39.991 39.000 0.455 0.000 1.194 380 F HN 0.847 nan 8.300 nan 0.000 0.438 381 R N 1.818 122.076 120.500 -0.403 0.000 3.910 381 R HA -0.266 4.068 4.340 -0.010 0.000 0.415 381 R C -0.084 175.990 176.300 -0.377 0.000 0.241 381 R CA 2.027 57.848 56.100 -0.465 0.000 1.327 381 R CB -1.003 28.910 30.300 -0.644 0.000 1.012 381 R HN 0.774 nan 8.270 nan 0.000 0.557 382 D N 1.128 121.102 120.400 -0.710 0.000 2.491 382 D HA 0.224 4.858 4.640 -0.010 0.000 0.228 382 D C -0.011 175.937 176.300 -0.586 0.000 1.183 382 D CA 0.239 53.884 54.000 -0.592 0.000 0.827 382 D CB -0.371 40.114 40.800 -0.525 0.000 0.989 382 D HN 0.171 nan 8.370 nan 0.000 0.494 383 F N -0.236 119.784 119.950 0.117 0.000 2.575 383 F HA 0.575 5.096 4.527 -0.010 0.000 0.330 383 F C -0.509 175.481 175.800 0.317 0.000 1.056 383 F CA -1.627 56.492 58.000 0.199 0.000 0.964 383 F CB 1.619 40.749 39.000 0.217 0.000 1.258 383 F HN -0.259 nan 8.300 nan 0.000 0.484 384 F N 3.226 123.352 119.950 0.293 0.000 2.716 384 F HA 0.504 5.025 4.527 -0.010 0.000 0.354 384 F C -1.420 174.463 175.800 0.137 0.000 1.168 384 F CA -1.330 56.776 58.000 0.177 0.000 1.045 384 F CB 0.771 39.839 39.000 0.114 0.000 1.311 384 F HN 0.199 nan 8.300 nan 0.000 0.477 385 L N 8.172 129.324 121.223 -0.119 0.000 2.260 385 L HA 0.426 4.760 4.340 -0.010 0.000 0.289 385 L C -2.134 174.483 176.870 -0.422 0.000 1.057 385 L CA -1.891 52.824 54.840 -0.209 0.000 0.811 385 L CB 0.709 42.695 42.059 -0.122 0.000 1.184 385 L HN 0.356 nan 8.230 nan 0.000 0.429 386 P HA 0.000 nan 4.420 nan 0.000 0.272 386 P C -0.527 176.629 177.300 -0.240 0.000 1.223 386 P CA -0.534 62.365 63.100 -0.335 0.000 0.784 386 P CB 0.842 32.419 31.700 -0.204 0.000 0.923 387 K N 1.047 121.326 120.400 -0.201 0.000 2.543 387 K HA 0.043 4.357 4.320 -0.010 0.000 0.279 387 K C 1.224 177.754 176.600 -0.117 0.000 1.001 387 K CA 1.398 57.597 56.287 -0.147 0.000 1.088 387 K CB -0.825 31.613 32.500 -0.102 0.000 0.863 387 K HN 0.825 nan 8.250 nan 0.000 0.488 388 G N 2.508 111.241 108.800 -0.110 0.000 2.195 388 G HA2 -0.250 3.704 3.960 -0.010 0.000 0.246 388 G HA3 -0.250 3.704 3.960 -0.010 0.000 0.246 388 G C 0.138 174.988 174.900 -0.083 0.000 0.984 388 G CA 0.325 45.376 45.100 -0.081 0.000 0.633 388 G HN 0.680 nan 8.290 nan 0.000 0.525 389 T N 2.081 116.567 114.554 -0.114 0.000 2.867 389 T HA 0.364 4.708 4.350 -0.010 0.000 0.297 389 T C 0.487 175.136 174.700 -0.085 0.000 0.989 389 T CA 0.373 62.405 62.100 -0.114 0.000 1.159 389 T CB 1.187 69.970 68.868 -0.141 0.000 0.928 389 T HN 0.419 nan 8.240 nan 0.000 0.538 390 E N 1.574 121.734 120.200 -0.068 0.000 2.390 390 E HA 0.373 4.718 4.350 -0.010 0.000 0.261 390 E C -0.712 175.886 176.600 -0.004 0.000 1.076 390 E CA -0.358 56.041 56.400 -0.001 0.000 0.905 390 E CB 0.850 30.558 29.700 0.013 0.000 0.984 390 E HN 0.275 nan 8.360 nan 0.000 0.427 391 V N 4.018 124.012 119.914 0.132 0.000 2.668 391 V HA 0.283 4.397 4.120 -0.010 0.000 0.304 391 V C -0.942 175.364 176.094 0.352 0.000 1.071 391 V CA -0.647 61.738 62.300 0.140 0.000 0.894 391 V CB 1.351 33.269 31.823 0.158 0.000 1.008 391 V HN 0.575 nan 8.190 nan 0.000 0.425 392 F N 5.514 125.421 119.950 -0.072 0.000 2.361 392 F HA 0.444 4.965 4.527 -0.010 0.000 0.364 392 F C -2.261 173.489 175.800 -0.083 0.000 1.120 392 F CA -2.357 55.616 58.000 -0.044 0.000 1.102 392 F CB 2.386 41.347 39.000 -0.065 0.000 1.183 392 F HN 0.294 nan 8.300 nan 0.000 0.476 393 P HA 0.140 nan 4.420 nan 0.000 0.284 393 P C -0.423 176.871 177.300 -0.009 0.000 1.432 393 P CA -0.385 62.680 63.100 -0.059 0.000 0.929 393 P CB 0.641 32.237 31.700 -0.173 0.000 1.158 394 M N 4.331 123.951 119.600 0.034 0.000 3.042 394 M HA 0.073 4.547 4.480 -0.010 0.000 0.283 394 M C 1.136 177.475 176.300 0.065 0.000 1.473 394 M CA 0.234 55.590 55.300 0.093 0.000 1.583 394 M CB -0.530 32.162 32.600 0.154 0.000 1.221 394 M HN 0.356 nan 8.290 nan 0.000 0.518 395 L N 1.216 122.435 121.223 -0.008 0.000 2.081 395 L HA -0.169 4.165 4.340 -0.010 0.000 0.212 395 L C 2.435 179.275 176.870 -0.051 0.000 1.080 395 L CA 1.528 56.333 54.840 -0.058 0.000 0.754 395 L CB -0.896 41.091 42.059 -0.120 0.000 0.893 395 L HN 0.757 nan 8.230 nan 0.000 0.433 396 G N -0.237 108.531 108.800 -0.053 0.000 2.450 396 G HA2 -0.290 3.664 3.960 -0.010 0.000 0.220 396 G HA3 -0.290 3.664 3.960 -0.010 0.000 0.220 396 G C 1.762 176.691 174.900 0.049 0.000 1.130 396 G CA 1.047 46.047 45.100 -0.166 0.000 0.760 396 G HN 0.527 nan 8.290 nan 0.000 0.557 397 S N -0.303 115.556 115.700 0.265 0.000 2.489 397 S HA 0.082 4.546 4.470 -0.010 0.000 0.228 397 S C 2.086 176.772 174.600 0.144 0.000 0.995 397 S CA 0.972 59.328 58.200 0.262 0.000 0.934 397 S CB 0.206 63.539 63.200 0.221 0.000 0.771 397 S HN 0.089 nan 8.310 nan 0.000 0.522 398 V N 1.624 121.589 119.914 0.084 0.000 2.599 398 V HA 0.139 4.253 4.120 -0.010 0.000 0.245 398 V C 2.330 178.502 176.094 0.129 0.000 1.046 398 V CA 1.039 63.377 62.300 0.064 0.000 1.065 398 V CB -0.645 31.176 31.823 -0.003 0.000 0.703 398 V HN 0.454 nan 8.190 nan 0.000 0.464 399 L N -0.368 120.889 121.223 0.057 0.000 2.362 399 L HA -0.011 4.323 4.340 -0.010 0.000 0.219 399 L C 2.079 178.889 176.870 -0.101 0.000 1.134 399 L CA 1.245 56.082 54.840 -0.005 0.000 0.807 399 L CB -0.284 41.694 42.059 -0.134 0.000 0.927 399 L HN 0.238 nan 8.230 nan 0.000 0.447 400 R N -1.023 119.499 120.500 0.037 0.000 2.596 400 R HA 0.092 4.426 4.340 -0.010 0.000 0.369 400 R C -0.118 176.303 176.300 0.201 0.000 1.042 400 R CA -0.276 55.855 56.100 0.051 0.000 1.120 400 R CB 0.370 30.677 30.300 0.011 0.000 1.353 400 R HN 0.064 nan 8.270 nan 0.000 0.564 401 D N 2.605 123.177 120.400 0.287 0.000 2.434 401 D HA -0.013 4.621 4.640 -0.010 0.000 0.252 401 D C -1.281 175.191 176.300 0.286 0.000 1.185 401 D CA -1.462 52.694 54.000 0.260 0.000 0.886 401 D CB 1.436 42.367 40.800 0.218 0.000 1.148 401 D HN 0.035 nan 8.370 nan 0.000 0.483 402 P HA -0.074 nan 4.420 nan 0.000 0.226 402 P C 0.946 178.300 177.300 0.090 0.000 1.153 402 P CA 0.596 63.781 63.100 0.141 0.000 0.777 402 P CB 0.344 32.106 31.700 0.102 0.000 0.794 403 R N -1.741 118.836 120.500 0.128 0.000 2.276 403 R HA 0.081 4.415 4.340 -0.010 0.000 0.203 403 R C 1.143 177.283 176.300 -0.266 0.000 1.017 403 R CA 0.847 56.930 56.100 -0.029 0.000 1.010 403 R CB -0.281 30.026 30.300 0.013 0.000 0.900 403 R HN 0.255 nan 8.270 nan 0.000 0.469 404 F N -1.738 118.034 119.950 -0.297 0.000 2.784 404 F HA 0.298 4.818 4.527 -0.010 0.000 0.323 404 F C -0.060 175.122 175.800 -1.031 0.000 1.085 404 F CA -0.328 57.279 58.000 -0.654 0.000 1.196 404 F CB 0.734 39.246 39.000 -0.814 0.000 1.053 404 F HN -0.248 nan 8.300 nan 0.000 0.578 405 F N -0.607 119.340 119.950 -0.006 0.000 2.561 405 F HA 0.275 4.795 4.527 -0.011 0.000 0.313 405 F C 1.190 176.950 175.800 -0.066 0.000 1.126 405 F CA -0.830 57.058 58.000 -0.186 0.000 0.918 405 F CB 1.691 40.417 39.000 -0.456 0.000 1.199 405 F HN -0.222 nan 8.300 nan 0.000 0.444 406 S N 0.374 116.202 115.700 0.213 0.000 2.395 406 S HA 0.007 4.471 4.470 -0.010 0.000 0.225 406 S C 0.482 175.212 174.600 0.218 0.000 1.027 406 S CA 0.572 58.879 58.200 0.178 0.000 0.965 406 S CB -0.077 63.204 63.200 0.135 0.000 0.812 406 S HN 0.649 nan 8.310 nan 0.000 0.482 407 N N 2.254 121.192 118.700 0.397 0.000 2.735 407 N HA 0.230 4.964 4.740 -0.010 0.000 0.312 407 N C -2.251 173.412 175.510 0.254 0.000 1.843 407 N CA -1.253 51.973 53.050 0.292 0.000 0.945 407 N CB 1.289 39.924 38.487 0.247 0.000 1.299 407 N HN 0.319 nan 8.380 nan 0.000 0.489 408 P HA -0.202 nan 4.420 nan 0.000 0.218 408 P C 0.734 178.063 177.300 0.048 0.000 1.150 408 P CA 1.371 64.486 63.100 0.026 0.000 0.841 408 P CB 0.305 32.050 31.700 0.075 0.000 0.784 409 R N -0.749 119.819 120.500 0.113 0.000 2.388 409 R HA 0.154 4.488 4.340 -0.010 0.000 0.247 409 R C 0.046 176.517 176.300 0.284 0.000 0.931 409 R CA -0.015 56.163 56.100 0.129 0.000 1.082 409 R CB 0.141 30.505 30.300 0.106 0.000 1.135 409 R HN 0.285 nan 8.270 nan 0.000 0.525 410 D N -0.278 120.322 120.400 0.334 0.000 2.433 410 D HA 0.088 4.722 4.640 -0.010 0.000 0.236 410 D C -1.167 175.343 176.300 0.350 0.000 1.026 410 D CA -0.672 53.541 54.000 0.355 0.000 0.884 410 D CB 1.471 42.397 40.800 0.210 0.000 1.384 410 D HN -0.135 nan 8.370 nan 0.000 0.477 411 F N 2.504 122.412 119.950 -0.070 0.000 2.439 411 F HA 0.233 4.753 4.527 -0.011 0.000 0.356 411 F C -0.119 175.494 175.800 -0.311 0.000 1.161 411 F CA -0.346 57.414 58.000 -0.400 0.000 1.151 411 F CB -0.067 38.384 39.000 -0.916 0.000 1.222 411 F HN 0.007 nan 8.300 nan 0.000 0.558 412 N N 8.089 126.415 118.700 -0.623 0.000 2.577 412 N HA 0.302 5.036 4.740 -0.010 0.000 0.275 412 N C -2.389 172.736 175.510 -0.642 0.000 1.091 412 N CA -1.914 50.760 53.050 -0.628 0.000 0.843 412 N CB 2.064 40.197 38.487 -0.590 0.000 1.295 412 N HN 0.168 nan 8.380 nan 0.000 0.530 413 P HA -0.103 nan 4.420 nan 0.000 0.222 413 P C 1.070 178.236 177.300 -0.224 0.000 1.142 413 P CA 0.980 63.841 63.100 -0.399 0.000 0.788 413 P CB 0.491 31.925 31.700 -0.442 0.000 0.767 414 Q N -1.514 118.128 119.800 -0.264 0.000 2.364 414 Q HA -0.154 4.180 4.340 -0.010 0.000 0.207 414 Q C 1.704 177.578 176.000 -0.210 0.000 0.970 414 Q CA 1.271 56.956 55.803 -0.196 0.000 0.888 414 Q CB -1.024 27.599 28.738 -0.192 0.000 0.951 414 Q HN 0.574 nan 8.270 nan 0.000 0.469 415 H N -1.679 117.286 119.070 -0.175 0.000 2.518 415 H HA -0.102 4.449 4.556 -0.008 0.000 0.292 415 H C 0.390 175.316 175.328 -0.670 0.000 1.068 415 H CA 0.662 56.526 56.048 -0.308 0.000 1.275 415 H CB 0.083 29.692 29.762 -0.255 0.000 1.375 415 H HN 0.130 nan 8.280 nan 0.000 0.563 416 F N -0.050 119.836 119.950 -0.105 0.000 2.735 416 F HA 0.306 4.826 4.527 -0.011 0.000 0.308 416 F C -0.360 175.147 175.800 -0.489 0.000 1.112 416 F CA -0.115 57.649 58.000 -0.393 0.000 1.235 416 F CB 0.750 39.451 39.000 -0.498 0.000 1.027 416 F HN -0.101 nan 8.300 nan 0.000 0.528 417 L N 0.709 121.828 121.223 -0.174 0.000 2.386 417 L HA 0.400 4.734 4.340 -0.010 0.000 0.271 417 L C -0.493 176.314 176.870 -0.104 0.000 0.993 417 L CA -1.132 53.640 54.840 -0.114 0.000 0.819 417 L CB 1.742 43.793 42.059 -0.015 0.000 1.294 417 L HN -0.014 nan 8.230 nan 0.000 0.414 418 D N 1.567 121.917 120.400 -0.082 0.000 2.447 418 D HA 0.131 4.765 4.640 -0.010 0.000 0.265 418 D C 0.680 176.954 176.300 -0.043 0.000 1.250 418 D CA -0.462 53.496 54.000 -0.069 0.000 1.046 418 D CB 0.811 41.578 40.800 -0.057 0.000 1.095 418 D HN 0.211 nan 8.370 nan 0.000 0.555 419 K N -0.385 119.991 120.400 -0.040 0.000 2.063 419 K HA -0.127 4.187 4.320 -0.010 0.000 0.208 419 K C 1.742 178.330 176.600 -0.019 0.000 1.048 419 K CA 1.642 57.911 56.287 -0.031 0.000 0.928 419 K CB -0.353 32.128 32.500 -0.032 0.000 0.713 419 K HN 0.280 nan 8.250 nan 0.000 0.442 420 K N -0.819 119.572 120.400 -0.014 0.000 2.365 420 K HA 0.124 4.438 4.320 -0.010 0.000 0.199 420 K C 1.036 177.639 176.600 0.005 0.000 1.045 420 K CA 0.894 57.178 56.287 -0.005 0.000 0.962 420 K CB -0.088 32.411 32.500 -0.003 0.000 0.759 420 K HN 0.341 nan 8.250 nan 0.000 0.469 421 G N -0.033 108.773 108.800 0.010 0.000 2.134 421 G HA2 -0.205 3.749 3.960 -0.010 0.000 0.209 421 G HA3 -0.205 3.749 3.960 -0.010 0.000 0.209 421 G C -0.395 174.541 174.900 0.060 0.000 0.993 421 G CA -0.407 44.714 45.100 0.036 0.000 0.669 421 G HN 0.095 nan 8.290 nan 0.000 0.519 422 Q N -0.840 118.986 119.800 0.043 0.000 2.212 422 Q HA 0.616 4.950 4.340 -0.010 0.000 0.238 422 Q C 0.096 176.140 176.000 0.074 0.000 0.955 422 Q CA -1.073 54.772 55.803 0.071 0.000 0.906 422 Q CB 0.971 29.740 28.738 0.052 0.000 1.215 422 Q HN 0.334 nan 8.270 nan 0.000 0.478 423 F N 1.335 121.281 119.950 -0.006 0.000 2.495 423 F HA 0.132 4.653 4.527 -0.011 0.000 0.365 423 F C 0.245 176.034 175.800 -0.019 0.000 1.090 423 F CA 0.346 58.329 58.000 -0.028 0.000 1.235 423 F CB 0.485 39.440 39.000 -0.075 0.000 1.119 423 F HN 0.226 nan 8.300 nan 0.000 0.562 424 K N 6.980 126.889 120.400 -0.818 0.000 2.450 424 K HA 0.305 4.619 4.320 -0.010 0.000 0.257 424 K C -0.719 175.562 176.600 -0.531 0.000 0.953 424 K CA -0.753 55.256 56.287 -0.465 0.000 0.844 424 K CB 0.934 33.265 32.500 -0.281 0.000 1.103 424 K HN 0.645 nan 8.250 nan 0.000 0.429 425 K N 1.107 121.426 120.400 -0.134 0.000 2.230 425 K HA 0.115 4.429 4.320 -0.010 0.000 0.253 425 K C -0.241 176.423 176.600 0.106 0.000 1.008 425 K CA -0.140 56.218 56.287 0.118 0.000 0.910 425 K CB 1.060 33.701 32.500 0.235 0.000 0.994 425 K HN 0.470 nan 8.250 nan 0.000 0.495 426 S N 0.161 116.024 115.700 0.273 0.000 2.572 426 S HA 0.084 4.548 4.470 -0.010 0.000 0.274 426 S C -0.351 174.447 174.600 0.330 0.000 1.150 426 S CA -0.775 57.560 58.200 0.226 0.000 0.944 426 S CB 1.509 64.801 63.200 0.154 0.000 1.071 426 S HN 0.615 nan 8.310 nan 0.000 0.479 427 D N 3.540 124.096 120.400 0.261 0.000 2.378 427 D HA 0.199 4.833 4.640 -0.010 0.000 0.227 427 D C 1.495 177.918 176.300 0.206 0.000 1.012 427 D CA 1.066 55.223 54.000 0.261 0.000 0.905 427 D CB 0.152 41.123 40.800 0.286 0.000 0.895 427 D HN 0.604 nan 8.370 nan 0.000 0.532 428 A N -0.454 122.412 122.820 0.077 0.000 2.275 428 A HA 0.105 4.419 4.320 -0.010 0.000 0.212 428 A C 0.575 178.384 177.584 0.375 0.000 1.201 428 A CA -0.435 51.616 52.037 0.024 0.000 0.843 428 A CB -0.545 18.245 19.000 -0.351 0.000 0.873 428 A HN 0.263 nan 8.150 nan 0.000 0.492 429 F N 1.783 121.954 119.950 0.368 0.000 2.494 429 F HA 0.363 4.885 4.527 -0.009 0.000 0.351 429 F C 0.677 176.617 175.800 0.234 0.000 1.205 429 F CA -0.409 57.831 58.000 0.400 0.000 1.125 429 F CB 0.897 40.223 39.000 0.543 0.000 1.268 429 F HN 0.032 nan 8.300 nan 0.000 0.593 430 V N 5.662 125.465 119.914 -0.184 0.000 2.841 430 V HA 0.323 4.437 4.120 -0.010 0.000 0.363 430 V C -1.787 174.108 176.094 -0.333 0.000 1.330 430 V CA -0.743 61.443 62.300 -0.191 0.000 1.207 430 V CB 0.046 31.829 31.823 -0.066 0.000 1.318 430 V HN 0.496 nan 8.190 nan 0.000 0.603 431 P HA -0.110 nan 4.420 nan 0.000 0.219 431 P C 0.981 177.897 177.300 -0.639 0.000 1.146 431 P CA 1.470 64.157 63.100 -0.689 0.000 0.808 431 P CB 0.025 31.138 31.700 -0.978 0.000 0.779 432 F N -0.573 119.260 119.950 -0.196 0.000 2.693 432 F HA 0.290 4.810 4.527 -0.010 0.000 0.303 432 F C 1.490 177.288 175.800 -0.005 0.000 1.097 432 F CA 0.183 58.141 58.000 -0.070 0.000 1.330 432 F CB -0.478 38.527 39.000 0.009 0.000 1.067 432 F HN -0.057 nan 8.300 nan 0.000 0.565 433 S N 0.355 116.092 115.700 0.062 0.000 3.756 433 S HA -0.165 4.299 4.470 -0.010 0.000 0.640 433 S C -0.476 174.202 174.600 0.129 0.000 2.059 433 S CA 0.316 58.558 58.200 0.069 0.000 2.224 433 S CB -0.922 62.340 63.200 0.103 0.000 0.327 433 S HN 0.467 nan 8.310 nan 0.000 1.789 434 I N -1.510 119.122 120.570 0.103 0.000 3.279 434 I HA 0.809 4.973 4.170 -0.010 0.000 0.315 434 I C 0.744 176.929 176.117 0.114 0.000 1.225 434 I CA -0.362 60.986 61.300 0.079 0.000 0.947 434 I CB 1.233 39.230 38.000 -0.005 0.000 1.293 434 I HN 2.120 nan 8.210 nan 0.000 0.468 435 G N 1.956 110.808 108.800 0.086 0.000 2.632 435 G HA2 -0.203 3.751 3.960 -0.010 0.000 0.224 435 G HA3 -0.203 3.751 3.960 -0.010 0.000 0.224 435 G C 0.072 175.121 174.900 0.249 0.000 1.341 435 G CA 0.203 45.378 45.100 0.126 0.000 0.880 435 G HN 0.906 nan 8.290 nan 0.000 0.566 436 K N 0.049 120.587 120.400 0.230 0.000 2.283 436 K HA -0.001 4.314 4.320 -0.010 0.000 0.202 436 K C 1.891 178.629 176.600 0.230 0.000 1.048 436 K CA 1.035 57.466 56.287 0.240 0.000 0.948 436 K CB -0.041 32.562 32.500 0.171 0.000 0.742 436 K HN 0.238 nan 8.250 nan 0.000 0.458 437 R N 0.790 121.428 120.500 0.230 0.000 2.507 437 R HA 0.064 4.398 4.340 -0.010 0.000 0.298 437 R C -0.116 176.232 176.300 0.079 0.000 0.999 437 R CA -0.333 55.826 56.100 0.098 0.000 1.082 437 R CB -0.535 29.753 30.300 -0.020 0.000 1.246 437 R HN 0.269 nan 8.270 nan 0.000 0.553 438 Y N -0.940 119.419 120.300 0.099 0.000 2.683 438 Y HA -0.024 4.520 4.550 -0.010 0.000 0.340 438 Y C 0.801 176.730 175.900 0.047 0.000 1.245 438 Y CA -1.196 56.953 58.100 0.081 0.000 1.485 438 Y CB 0.241 38.754 38.460 0.089 0.000 1.328 438 Y HN -0.016 nan 8.280 nan 0.000 0.603 439 C N 8.522 127.774 119.300 -0.079 0.000 2.409 439 C HA -0.037 4.417 4.460 -0.010 0.000 0.399 439 C C 1.362 176.080 174.990 -0.453 0.000 1.505 439 C CA -0.486 58.376 59.018 -0.260 0.000 1.435 439 C CB -2.678 25.093 27.740 0.052 0.000 2.462 439 C HN 0.948 nan 8.230 nan 0.000 0.619 440 F N 3.371 123.049 119.950 -0.455 0.000 2.811 440 F HA 0.304 4.825 4.527 -0.010 0.000 0.301 440 F C 1.503 177.200 175.800 -0.173 0.000 1.151 440 F CA 0.024 57.788 58.000 -0.393 0.000 1.412 440 F CB -0.876 37.933 39.000 -0.318 0.000 1.113 440 F HN 0.518 nan 8.300 nan 0.000 0.579 441 G N 0.138 108.800 108.800 -0.230 0.000 3.189 441 G HA2 -0.019 3.935 3.960 -0.010 0.000 0.225 441 G HA3 -0.019 3.935 3.960 -0.010 0.000 0.225 441 G C 1.331 176.154 174.900 -0.129 0.000 1.159 441 G CA 0.157 45.190 45.100 -0.112 0.000 0.763 441 G HN 0.487 nan 8.290 nan 0.000 0.549 442 E N 0.654 120.726 120.200 -0.214 0.000 2.058 442 E HA -0.093 4.251 4.350 -0.010 0.000 0.194 442 E C 2.582 178.956 176.600 -0.375 0.000 0.997 442 E CA 1.185 57.234 56.400 -0.586 0.000 0.801 442 E CB -0.395 28.938 29.700 -0.611 0.000 0.746 442 E HN 0.280 nan 8.360 nan 0.000 0.450 443 G N 1.548 110.258 108.800 -0.151 0.000 2.476 443 G HA2 -0.299 3.655 3.960 -0.010 0.000 0.218 443 G HA3 -0.299 3.655 3.960 -0.010 0.000 0.218 443 G C 1.527 176.343 174.900 -0.141 0.000 1.164 443 G CA 1.037 46.080 45.100 -0.094 0.000 0.768 443 G HN 0.336 nan 8.290 nan 0.000 0.560 444 L N 1.262 122.423 121.223 -0.104 0.000 2.083 444 L HA 0.174 4.508 4.340 -0.010 0.000 0.209 444 L C 3.007 179.831 176.870 -0.077 0.000 1.083 444 L CA 2.151 56.932 54.840 -0.098 0.000 0.752 444 L CB -0.608 41.430 42.059 -0.035 0.000 0.899 444 L HN 0.233 nan 8.230 nan 0.000 0.433 445 A N -0.403 122.396 122.820 -0.036 0.000 1.930 445 A HA -0.163 4.151 4.320 -0.010 0.000 0.217 445 A C 2.384 180.043 177.584 0.125 0.000 1.175 445 A CA 1.550 53.640 52.037 0.088 0.000 0.627 445 A CB -0.461 18.688 19.000 0.247 0.000 0.815 445 A HN 0.510 nan 8.150 nan 0.000 0.443 446 R N -1.242 119.293 120.500 0.058 0.000 2.090 446 R HA 0.030 4.364 4.340 -0.010 0.000 0.228 446 R C 2.275 178.652 176.300 0.129 0.000 1.110 446 R CA 1.379 57.586 56.100 0.179 0.000 0.973 446 R CB -0.369 30.045 30.300 0.191 0.000 0.869 446 R HN 0.643 nan 8.270 nan 0.000 0.440 447 M N 1.047 120.481 119.600 -0.277 0.000 2.132 447 M HA -0.159 4.315 4.480 -0.010 0.000 0.263 447 M C 1.546 177.708 176.300 -0.230 0.000 1.065 447 M CA 1.760 56.636 55.300 -0.708 0.000 1.122 447 M CB 0.126 32.133 32.600 -0.987 0.000 1.365 447 M HN 0.099 nan 8.290 nan 0.000 0.411 448 E N 0.302 120.407 120.200 -0.159 0.000 2.072 448 E HA -0.180 4.164 4.350 -0.010 0.000 0.191 448 E C 2.070 178.685 176.600 0.024 0.000 0.985 448 E CA 1.306 57.588 56.400 -0.197 0.000 0.801 448 E CB -0.202 29.527 29.700 0.049 0.000 0.750 448 E HN 0.545 nan 8.360 nan 0.000 0.452 449 L N 0.095 121.446 121.223 0.213 0.000 2.017 449 L HA -0.183 4.152 4.340 -0.010 0.000 0.208 449 L C 2.470 179.616 176.870 0.460 0.000 1.073 449 L CA 1.120 56.176 54.840 0.361 0.000 0.745 449 L CB -0.348 41.958 42.059 0.412 0.000 0.894 449 L HN 0.137 nan 8.230 nan 0.000 0.432 450 F N 0.353 120.478 119.950 0.292 0.000 2.146 450 F HA -0.169 4.352 4.527 -0.011 0.000 0.298 450 F C 2.184 178.135 175.800 0.252 0.000 1.096 450 F CA 1.381 59.574 58.000 0.322 0.000 1.275 450 F CB -0.023 39.207 39.000 0.383 0.000 1.008 450 F HN -0.127 nan 8.300 nan 0.000 0.480 451 L N -1.247 120.139 121.223 0.272 0.000 2.109 451 L HA -0.167 4.167 4.340 -0.010 0.000 0.207 451 L C 2.275 179.153 176.870 0.012 0.000 1.086 451 L CA 0.800 55.684 54.840 0.073 0.000 0.760 451 L CB -0.740 41.260 42.059 -0.099 0.000 0.910 451 L HN 0.097 nan 8.230 nan 0.000 0.437 452 F N -0.747 119.285 119.950 0.136 0.000 2.163 452 F HA -0.091 4.430 4.527 -0.011 0.000 0.297 452 F C 2.261 178.165 175.800 0.173 0.000 1.094 452 F CA 0.972 59.035 58.000 0.105 0.000 1.290 452 F CB -0.976 38.027 39.000 0.006 0.000 1.017 452 F HN -0.131 nan 8.300 nan 0.000 0.483 453 F N -0.131 120.040 119.950 0.368 0.000 2.069 453 F HA -0.272 4.250 4.527 -0.008 0.000 0.298 453 F C 2.774 178.689 175.800 0.190 0.000 1.113 453 F CA 1.949 60.152 58.000 0.338 0.000 1.214 453 F CB -0.829 38.309 39.000 0.231 0.000 0.978 453 F HN -0.113 nan 8.300 nan 0.000 0.474 454 T N -1.209 113.455 114.554 0.183 0.000 2.708 454 T HA -0.174 4.171 4.350 -0.010 0.000 0.266 454 T C 1.902 176.672 174.700 0.116 0.000 1.037 454 T CA 2.110 64.213 62.100 0.005 0.000 1.146 454 T CB -0.417 68.222 68.868 -0.381 0.000 0.865 454 T HN 0.200 nan 8.240 nan 0.000 0.435 455 T N 1.731 116.376 114.554 0.152 0.000 2.881 455 T HA 0.065 4.409 4.350 -0.010 0.000 0.270 455 T C 1.835 176.684 174.700 0.248 0.000 1.068 455 T CA 0.889 63.097 62.100 0.180 0.000 1.131 455 T CB -0.223 68.761 68.868 0.194 0.000 0.871 455 T HN 0.365 nan 8.240 nan 0.000 0.479 456 I N 0.348 121.130 120.570 0.353 0.000 2.333 456 I HA -0.034 4.130 4.170 -0.010 0.000 0.246 456 I C 2.229 178.596 176.117 0.416 0.000 1.106 456 I CA 1.165 62.746 61.300 0.469 0.000 1.411 456 I CB -0.185 38.169 38.000 0.589 0.000 1.082 456 I HN 0.232 nan 8.210 nan 0.000 0.420 457 M N -0.152 119.630 119.600 0.302 0.000 2.619 457 M HA -0.135 4.339 4.480 -0.010 0.000 0.251 457 M C 2.130 178.509 176.300 0.132 0.000 1.106 457 M CA 0.878 56.282 55.300 0.174 0.000 1.086 457 M CB -0.151 32.526 32.600 0.129 0.000 1.465 457 M HN 0.267 nan 8.290 nan 0.000 0.506 458 Q N 0.678 120.539 119.800 0.102 0.000 2.172 458 Q HA -0.128 4.206 4.340 -0.010 0.000 0.200 458 Q C 1.418 177.377 176.000 -0.070 0.000 0.964 458 Q CA 1.129 56.949 55.803 0.029 0.000 0.855 458 Q CB 0.241 29.005 28.738 0.042 0.000 0.918 458 Q HN 0.576 nan 8.270 nan 0.000 0.444 459 N N -1.182 117.452 118.700 -0.110 0.000 2.428 459 N HA 0.075 4.809 4.740 -0.010 0.000 0.181 459 N C -0.209 174.965 175.510 -0.561 0.000 1.028 459 N CA 0.502 53.309 53.050 -0.404 0.000 0.877 459 N CB 0.415 38.529 38.487 -0.621 0.000 1.064 459 N HN 0.018 nan 8.380 nan 0.000 0.434 460 F N 0.709 120.675 119.950 0.027 0.000 2.613 460 F HA 0.474 4.994 4.527 -0.011 0.000 0.342 460 F C 0.372 176.055 175.800 -0.195 0.000 1.066 460 F CA -1.202 56.795 58.000 -0.005 0.000 1.002 460 F CB 1.081 40.203 39.000 0.204 0.000 1.319 460 F HN -0.228 nan 8.300 nan 0.000 0.495 461 R N 0.398 120.930 120.500 0.053 0.000 2.686 461 R HA 0.610 4.944 4.340 -0.010 0.000 0.286 461 R C -1.922 174.345 176.300 -0.054 0.000 0.969 461 R CA -0.622 55.411 56.100 -0.111 0.000 0.898 461 R CB 1.324 31.592 30.300 -0.054 0.000 1.183 461 R HN 0.540 nan 8.270 nan 0.000 0.456 462 F N 1.596 121.491 119.950 -0.091 0.000 2.410 462 F HA 0.334 4.856 4.527 -0.008 0.000 0.348 462 F C 0.517 176.205 175.800 -0.187 0.000 1.106 462 F CA -0.916 56.910 58.000 -0.289 0.000 1.163 462 F CB 1.517 40.310 39.000 -0.345 0.000 1.129 462 F HN 0.348 nan 8.300 nan 0.000 0.516 463 K N 2.599 122.989 120.400 -0.017 0.000 2.450 463 K HA 0.300 4.614 4.320 -0.010 0.000 0.257 463 K C -0.806 175.772 176.600 -0.037 0.000 0.953 463 K CA -0.421 55.856 56.287 -0.016 0.000 0.844 463 K CB 1.725 34.222 32.500 -0.005 0.000 1.103 463 K HN 0.507 nan 8.250 nan 0.000 0.429 464 S N 4.312 119.997 115.700 -0.024 0.000 2.578 464 S HA 0.493 4.957 4.470 -0.010 0.000 0.283 464 S C -1.727 172.870 174.600 -0.005 0.000 1.195 464 S CA -1.586 56.601 58.200 -0.021 0.000 1.050 464 S CB 0.776 63.949 63.200 -0.044 0.000 1.012 464 S HN 0.635 nan 8.310 nan 0.000 0.511 465 P HA 0.083 nan 4.420 nan 0.000 0.249 465 P C -0.475 176.827 177.300 0.004 0.000 1.241 465 P CA 0.369 63.475 63.100 0.011 0.000 0.781 465 P CB 0.061 31.774 31.700 0.021 0.000 1.088 466 Q N -0.746 119.051 119.800 -0.005 0.000 2.433 466 Q HA 0.443 4.777 4.340 -0.010 0.000 0.279 466 Q C -0.407 175.580 176.000 -0.022 0.000 1.105 466 Q CA -0.783 55.013 55.803 -0.012 0.000 0.815 466 Q CB 1.962 30.692 28.738 -0.014 0.000 1.403 466 Q HN -0.162 nan 8.270 nan 0.000 0.435 467 S N 1.973 117.660 115.700 -0.023 0.000 2.565 467 S HA 0.097 4.561 4.470 -0.010 0.000 0.276 467 S C -1.810 172.762 174.600 -0.045 0.000 1.326 467 S CA -0.965 57.217 58.200 -0.029 0.000 1.045 467 S CB 0.647 63.833 63.200 -0.023 0.000 0.918 467 S HN 0.470 nan 8.310 nan 0.000 0.505 468 P HA -0.228 nan 4.420 nan 0.000 0.218 468 P C 1.141 178.384 177.300 -0.095 0.000 1.147 468 P CA 1.320 64.365 63.100 -0.092 0.000 0.827 468 P CB 0.027 31.666 31.700 -0.102 0.000 0.778 469 K N -1.500 118.861 120.400 -0.066 0.000 2.228 469 K HA -0.042 4.272 4.320 -0.010 0.000 0.202 469 K C 1.047 177.624 176.600 -0.039 0.000 1.051 469 K CA 1.342 57.597 56.287 -0.053 0.000 0.960 469 K CB -0.408 32.071 32.500 -0.036 0.000 0.743 469 K HN 0.054 nan 8.250 nan 0.000 0.458 470 D N 0.853 121.231 120.400 -0.035 0.000 2.349 470 D HA 0.137 4.771 4.640 -0.010 0.000 0.214 470 D C 0.094 176.377 176.300 -0.028 0.000 1.063 470 D CA 0.069 54.055 54.000 -0.024 0.000 0.847 470 D CB 0.287 41.077 40.800 -0.017 0.000 0.933 470 D HN 0.236 nan 8.370 nan 0.000 0.513 471 I N 1.870 122.411 120.570 -0.047 0.000 2.436 471 I HA -0.024 4.140 4.170 -0.010 0.000 0.289 471 I C 0.442 176.537 176.117 -0.038 0.000 1.083 471 I CA -0.148 61.117 61.300 -0.058 0.000 1.372 471 I CB 0.664 38.605 38.000 -0.098 0.000 1.408 471 I HN -0.295 nan 8.210 nan 0.000 0.516 472 D N 7.000 127.388 120.400 -0.019 0.000 2.380 472 D HA 0.122 4.756 4.640 -0.010 0.000 0.230 472 D C 0.627 176.949 176.300 0.036 0.000 1.154 472 D CA -0.338 53.670 54.000 0.014 0.000 0.859 472 D CB 1.515 42.323 40.800 0.014 0.000 1.045 472 D HN 0.339 nan 8.370 nan 0.000 0.495 473 V N 1.849 121.818 119.914 0.093 0.000 3.514 473 V HA 0.197 4.312 4.120 -0.010 0.000 0.301 473 V C 0.706 177.018 176.094 0.362 0.000 1.346 473 V CA -0.175 62.251 62.300 0.210 0.000 1.156 473 V CB -0.961 30.961 31.823 0.166 0.000 1.029 473 V HN 0.431 nan 8.190 nan 0.000 0.428 474 S N 1.863 117.697 115.700 0.223 0.000 2.585 474 S HA 0.494 4.958 4.470 -0.010 0.000 0.273 474 S C -2.208 172.478 174.600 0.143 0.000 1.339 474 S CA -1.035 57.285 58.200 0.199 0.000 1.028 474 S CB 0.590 63.856 63.200 0.110 0.000 0.906 474 S HN 0.478 nan 8.310 nan 0.000 0.528 475 P HA 0.179 nan 4.420 nan 0.000 0.275 475 P C 0.157 177.416 177.300 -0.068 0.000 1.228 475 P CA -0.524 62.592 63.100 0.028 0.000 0.786 475 P CB 0.883 32.621 31.700 0.063 0.000 0.927 476 K N 1.654 121.955 120.400 -0.165 0.000 2.103 476 K HA -0.081 4.233 4.320 -0.010 0.000 0.204 476 K C 0.153 176.458 176.600 -0.491 0.000 1.052 476 K CA 1.074 57.166 56.287 -0.326 0.000 0.945 476 K CB 0.132 32.405 32.500 -0.379 0.000 0.722 476 K HN 0.589 nan 8.250 nan 0.000 0.443 477 H N -1.161 117.879 119.070 -0.051 0.000 2.974 477 H HA 0.330 4.880 4.556 -0.010 0.000 0.366 477 H C -1.539 173.749 175.328 -0.066 0.000 1.155 477 H CA -0.782 55.231 56.048 -0.057 0.000 1.186 477 H CB 2.089 31.804 29.762 -0.078 0.000 1.799 477 H HN -0.193 nan 8.280 nan 0.000 0.541 478 V N 1.803 121.765 119.914 0.080 0.000 2.569 478 V HA 0.673 4.787 4.120 -0.010 0.000 0.301 478 V C 0.325 176.420 176.094 0.002 0.000 1.044 478 V CA -0.052 62.251 62.300 0.006 0.000 0.874 478 V CB 1.625 33.445 31.823 -0.005 0.000 1.002 478 V HN 1.040 nan 8.190 nan 0.000 0.424 479 G N 2.314 111.091 108.800 -0.038 0.000 3.453 479 G HA2 0.187 4.141 3.960 -0.010 0.000 0.165 479 G HA3 0.187 4.141 3.960 -0.010 0.000 0.165 479 G C 0.252 175.150 174.900 -0.002 0.000 1.220 479 G CA 0.229 45.320 45.100 -0.015 0.000 1.305 479 G HN 0.414 nan 8.290 nan 0.000 0.695 480 F N 2.482 122.344 119.950 -0.146 0.000 2.216 480 F HA 0.488 5.009 4.527 -0.009 0.000 0.300 480 F C 0.976 176.679 175.800 -0.161 0.000 1.085 480 F CA 1.320 59.239 58.000 -0.134 0.000 1.326 480 F CB -0.149 38.783 39.000 -0.113 0.000 1.027 480 F HN 0.487 nan 8.300 nan 0.000 0.497 481 A N -0.828 121.796 122.820 -0.327 0.000 2.479 481 A HA 0.656 4.970 4.320 -0.010 0.000 0.296 481 A C -0.667 176.771 177.584 -0.244 0.000 1.121 481 A CA -0.395 51.378 52.037 -0.440 0.000 0.743 481 A CB 0.792 19.308 19.000 -0.807 0.000 1.323 481 A HN 0.048 nan 8.150 nan 0.000 0.415 482 T N 2.208 116.666 114.554 -0.161 0.000 2.756 482 T HA 0.518 4.862 4.350 -0.010 0.000 0.290 482 T C -0.425 174.283 174.700 0.013 0.000 0.985 482 T CA -0.117 61.952 62.100 -0.053 0.000 0.955 482 T CB 0.264 69.121 68.868 -0.018 0.000 0.930 482 T HN 0.382 nan 8.240 nan 0.000 0.451 483 I N 6.265 126.832 120.570 -0.006 0.000 2.404 483 I HA 0.391 4.555 4.170 -0.010 0.000 0.293 483 I C -2.113 173.893 176.117 -0.185 0.000 0.992 483 I CA -3.215 58.064 61.300 -0.036 0.000 1.149 483 I CB 1.628 39.644 38.000 0.027 0.000 1.315 483 I HN 0.319 nan 8.210 nan 0.000 0.446 484 P HA 0.272 nan 4.420 nan 0.000 0.276 484 P C -0.338 176.791 177.300 -0.285 0.000 1.244 484 P CA -0.583 62.123 63.100 -0.657 0.000 0.801 484 P CB 1.011 32.134 31.700 -0.961 0.000 1.006 485 R N 1.142 121.520 120.500 -0.203 0.000 2.738 485 R HA 0.154 4.488 4.340 -0.010 0.000 0.268 485 R C 0.491 176.797 176.300 0.009 0.000 1.062 485 R CA -0.170 55.877 56.100 -0.089 0.000 1.158 485 R CB -0.126 30.145 30.300 -0.048 0.000 1.046 485 R HN 0.512 nan 8.270 nan 0.000 0.493 486 N N 0.796 119.490 118.700 -0.010 0.000 2.508 486 N HA 0.211 4.945 4.740 -0.010 0.000 0.264 486 N C -1.135 174.428 175.510 0.089 0.000 1.216 486 N CA 0.134 53.168 53.050 -0.026 0.000 0.943 486 N CB 0.461 38.921 38.487 -0.045 0.000 1.113 486 N HN 0.447 nan 8.380 nan 0.000 0.447 487 Y N -3.148 117.124 120.300 -0.046 0.000 2.702 487 Y HA 0.621 5.166 4.550 -0.009 0.000 0.336 487 Y C -1.118 174.773 175.900 -0.015 0.000 1.203 487 Y CA -1.379 56.702 58.100 -0.033 0.000 1.072 487 Y CB 0.522 38.957 38.460 -0.042 0.000 1.327 487 Y HN 0.542 nan 8.280 nan 0.000 0.456 488 T N 0.916 115.561 114.554 0.152 0.000 2.924 488 T HA 0.852 5.196 4.350 -0.010 0.000 0.291 488 T C -0.479 174.327 174.700 0.178 0.000 1.045 488 T CA -0.652 61.493 62.100 0.075 0.000 1.015 488 T CB 1.988 70.885 68.868 0.049 0.000 1.103 488 T HN 1.267 nan 8.240 nan 0.000 0.496 489 M N -0.522 119.141 119.600 0.105 0.000 3.008 489 M HA 0.769 5.243 4.480 -0.010 0.000 0.271 489 M C -1.617 174.672 176.300 -0.017 0.000 1.265 489 M CA -0.949 54.370 55.300 0.030 0.000 0.817 489 M CB 1.855 34.436 32.600 -0.031 0.000 1.638 489 M HN 0.476 nan 8.290 nan 0.000 0.479 490 S N 0.218 115.850 115.700 -0.115 0.000 2.521 490 S HA 0.745 5.209 4.470 -0.010 0.000 0.295 490 S C -1.688 172.790 174.600 -0.203 0.000 1.098 490 S CA -0.523 57.645 58.200 -0.054 0.000 0.999 490 S CB 1.173 64.373 63.200 -0.001 0.000 1.034 490 S HN 0.502 nan 8.310 nan 0.000 0.483 491 F N 3.232 123.095 119.950 -0.145 0.000 2.293 491 F HA 0.438 4.960 4.527 -0.009 0.000 0.370 491 F C -0.120 175.658 175.800 -0.037 0.000 1.090 491 F CA -0.553 57.303 58.000 -0.241 0.000 1.133 491 F CB 0.472 39.013 39.000 -0.765 0.000 1.360 491 F HN 0.189 nan 8.300 nan 0.000 0.489 492 L N 5.919 127.287 121.223 0.242 0.000 2.295 492 L HA 0.467 4.801 4.340 -0.010 0.000 0.285 492 L C -2.160 174.946 176.870 0.393 0.000 1.035 492 L CA -2.311 52.699 54.840 0.282 0.000 0.806 492 L CB 1.456 43.598 42.059 0.138 0.000 1.214 492 L HN 0.260 nan 8.230 nan 0.000 0.426 493 P HA 0.092 nan 4.420 nan 0.000 0.266 493 P C -0.630 176.670 177.300 0.000 0.000 1.195 493 P CA 0.001 63.162 63.100 0.100 0.000 0.768 493 P CB 0.972 32.704 31.700 0.054 0.000 0.838 494 R N 0.000 120.435 120.500 -0.108 0.000 2.786 494 R HA 0.000 4.334 4.340 -0.010 0.000 0.208 494 R CA 0.000 56.013 56.100 -0.145 0.000 0.921 494 R CB 0.000 30.140 30.300 -0.267 0.000 0.687 494 R HN 0.000 nan 8.270 nan 0.000 0.535