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 1yir_1_B DATA FIRST_RESID 3 DATA SEQUENCE LAESAFSERI VQNLLDTDFY KLTMMQAVLH NYPNAEVEWE FRCRNQEDLR DATA SEQUENCE LYLPAIREQL EYLAGLAISD EQLAFLERIP FLAPDFIRFL GLFRFNPRYV DATA SEQUENCE QTGIENDEFF LRLKGPWLHV ILFEVPLLAM ISEVRNRARY PAATVEQARE DATA SEQUENCE RLQEKFDWLR REASAEELAG FKMADFGTRR RFSYRVHEAV VSGLKEDFPG DATA SEQUENCE CFVGTSNVHL ARKLDLKPLG TMAHEWLMAH QQLGPRLIDS QSAALDCWVR DATA SEQUENCE EYRGLLGIAL TDCITTDAFL RDFDLYFAKL FDGLRHDSGD PLLWAEKTIA DATA SEQUENCE HYLKLGIDPL TKTLVFSDGL DLPRALKIYR ALQGRINVSF GIGTHFTCDL DATA SEQUENCE PGVEPMNIVV KMSACNGHPV AKISDTPXXX XXXXPDFIHY LKHVFQV 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 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.888 176.870 0.030 0.000 1.165 3 L CA 0.000 54.855 54.840 0.025 0.000 0.813 3 L CB 0.000 42.071 42.059 0.020 0.000 0.961 4 A N 1.983 124.824 122.820 0.036 0.000 2.583 4 A HA 0.635 4.955 4.320 -0.000 0.000 0.298 4 A C -1.312 176.295 177.584 0.039 0.000 1.055 4 A CA -0.551 51.509 52.037 0.039 0.000 0.714 4 A CB 1.583 20.616 19.000 0.054 0.000 1.277 4 A HN 0.724 nan 8.150 nan 0.000 0.406 5 E N 1.534 121.749 120.200 0.025 0.000 2.427 5 E HA 0.373 4.722 4.350 -0.000 0.000 0.259 5 E C 0.496 177.094 176.600 -0.004 0.000 1.267 5 E CA 0.149 56.556 56.400 0.011 0.000 1.425 5 E CB 0.661 30.361 29.700 0.000 0.000 1.482 5 E HN 0.719 nan 8.360 nan 0.000 0.460 6 S N -0.831 114.875 115.700 0.009 0.000 2.745 6 S HA 0.603 5.073 4.470 -0.000 0.000 0.292 6 S C 1.371 175.901 174.600 -0.118 0.000 1.127 6 S CA -0.387 57.798 58.200 -0.026 0.000 1.007 6 S CB 1.459 64.701 63.200 0.069 0.000 1.165 6 S HN 0.207 nan 8.310 nan 0.000 0.544 7 A N -0.522 122.109 122.820 -0.313 0.000 2.216 7 A HA 0.273 4.593 4.320 -0.000 0.000 0.214 7 A C 0.150 177.457 177.584 -0.461 0.000 1.160 7 A CA 0.393 52.174 52.037 -0.426 0.000 0.725 7 A CB -0.934 17.770 19.000 -0.494 0.000 0.784 7 A HN 0.622 nan 8.150 nan 0.000 0.472 8 F N 0.024 120.037 119.950 0.105 0.000 2.458 8 F HA 0.491 5.018 4.527 -0.000 0.000 0.336 8 F C 0.849 176.680 175.800 0.052 0.000 1.114 8 F CA -0.490 57.550 58.000 0.066 0.000 0.987 8 F CB 1.716 40.733 39.000 0.029 0.000 1.130 8 F HN 0.076 nan 8.300 nan 0.000 0.458 9 S N 0.880 116.720 115.700 0.234 0.000 2.748 9 S HA 0.319 4.789 4.470 -0.000 0.000 0.299 9 S C 1.004 175.659 174.600 0.091 0.000 1.119 9 S CA -0.484 57.806 58.200 0.150 0.000 0.997 9 S CB 1.148 64.454 63.200 0.175 0.000 1.223 9 S HN 0.765 nan 8.310 nan 0.000 0.541 10 E N 0.922 121.148 120.200 0.043 0.000 2.023 10 E HA -0.138 4.212 4.350 -0.000 0.000 0.196 10 E C 0.371 176.921 176.600 -0.085 0.000 1.003 10 E CA 0.677 57.069 56.400 -0.014 0.000 0.809 10 E CB -0.260 29.431 29.700 -0.015 0.000 0.755 10 E HN 0.489 nan 8.360 nan 0.000 0.449 11 R N 0.134 120.570 120.500 -0.107 0.000 2.536 11 R HA 0.434 4.774 4.340 -0.000 0.000 0.279 11 R C 1.277 177.484 176.300 -0.155 0.000 1.001 11 R CA -0.360 55.595 56.100 -0.241 0.000 1.027 11 R CB 1.440 31.596 30.300 -0.239 0.000 1.096 11 R HN 0.147 nan 8.270 nan 0.000 0.502 12 I N 0.420 120.860 120.570 -0.217 0.000 2.726 12 I HA 0.022 4.192 4.170 -0.000 0.000 0.243 12 I C 0.285 176.379 176.117 -0.038 0.000 1.082 12 I CA 0.420 61.677 61.300 -0.071 0.000 1.447 12 I CB 0.308 38.253 38.000 -0.091 0.000 1.250 12 I HN 0.192 nan 8.210 nan 0.000 0.453 13 V N 3.254 123.149 119.914 -0.031 0.000 2.408 13 V HA 0.051 4.171 4.120 -0.000 0.000 0.267 13 V C 0.900 177.005 176.094 0.019 0.000 1.047 13 V CA -0.268 62.062 62.300 0.049 0.000 0.937 13 V CB 1.139 33.058 31.823 0.160 0.000 0.999 13 V HN 0.325 nan 8.190 nan 0.000 0.472 14 Q N 3.859 123.524 119.800 -0.224 0.000 2.046 14 Q HA -0.066 4.274 4.340 -0.000 0.000 0.200 14 Q C 0.601 176.493 176.000 -0.180 0.000 0.975 14 Q CA 1.535 57.117 55.803 -0.369 0.000 0.836 14 Q CB -0.088 28.081 28.738 -0.949 0.000 0.896 14 Q HN 1.043 nan 8.270 nan 0.000 0.428 15 N N -3.101 115.509 118.700 -0.151 0.000 3.387 15 N HA 0.076 4.816 4.740 -0.000 0.000 0.294 15 N C -0.222 175.293 175.510 0.008 0.000 1.519 15 N CA -0.549 52.462 53.050 -0.065 0.000 0.875 15 N CB -0.150 38.278 38.487 -0.098 0.000 1.657 15 N HN -0.153 nan 8.380 nan 0.000 0.527 16 L N -0.472 120.771 121.223 0.034 0.000 2.456 16 L HA 0.171 4.511 4.340 -0.000 0.000 0.224 16 L C 1.247 178.171 176.870 0.089 0.000 1.148 16 L CA 0.928 55.814 54.840 0.078 0.000 0.825 16 L CB -0.590 41.492 42.059 0.037 0.000 0.937 16 L HN 0.570 nan 8.230 nan 0.000 0.450 17 L N -1.319 119.954 121.223 0.083 0.000 2.446 17 L HA 0.053 4.393 4.340 -0.000 0.000 0.219 17 L C 0.782 177.754 176.870 0.171 0.000 1.116 17 L CA 0.590 55.513 54.840 0.139 0.000 0.844 17 L CB -0.479 41.663 42.059 0.138 0.000 0.970 17 L HN 0.069 nan 8.230 nan 0.000 0.457 18 D N 0.385 120.849 120.400 0.106 0.000 2.545 18 D HA 0.167 4.807 4.640 -0.000 0.000 0.227 18 D C 0.082 176.493 176.300 0.184 0.000 1.150 18 D CA 0.420 54.494 54.000 0.124 0.000 1.046 18 D CB -0.025 40.760 40.800 -0.026 0.000 1.098 18 D HN 0.080 nan 8.370 nan 0.000 0.502 19 T N 0.931 115.622 114.554 0.229 0.000 2.677 19 T HA 0.152 4.502 4.350 -0.000 0.000 0.305 19 T C -1.724 173.149 174.700 0.290 0.000 1.569 19 T CA -0.846 61.401 62.100 0.245 0.000 0.984 19 T CB 0.843 69.839 68.868 0.214 0.000 1.629 19 T HN -0.078 nan 8.240 nan 0.000 0.494 20 D N 1.664 122.252 120.400 0.313 0.000 2.308 20 D HA 0.262 4.902 4.640 -0.000 0.000 0.251 20 D C 0.875 177.443 176.300 0.446 0.000 1.127 20 D CA -0.196 54.024 54.000 0.367 0.000 0.876 20 D CB 0.884 41.913 40.800 0.382 0.000 1.176 20 D HN 0.512 nan 8.370 nan 0.000 0.446 21 F N 2.275 122.373 119.950 0.246 0.000 2.115 21 F HA -0.347 4.180 4.527 -0.000 0.000 0.300 21 F C 2.103 178.073 175.800 0.283 0.000 1.092 21 F CA 1.322 59.462 58.000 0.234 0.000 1.245 21 F CB -0.064 39.051 39.000 0.192 0.000 0.995 21 F HN 0.592 nan 8.300 nan 0.000 0.481 22 Y N -0.852 119.439 120.300 -0.015 0.000 2.569 22 Y HA -0.078 4.472 4.550 -0.000 0.000 0.293 22 Y C 1.862 177.708 175.900 -0.091 0.000 1.144 22 Y CA 0.188 58.203 58.100 -0.141 0.000 1.321 22 Y CB -0.523 37.867 38.460 -0.117 0.000 0.982 22 Y HN -0.118 nan 8.280 nan 0.000 0.558 23 K N 0.755 121.132 120.400 -0.038 0.000 2.167 23 K HA -0.012 4.307 4.320 -0.000 0.000 0.203 23 K C 1.868 178.415 176.600 -0.090 0.000 1.052 23 K CA 0.523 56.710 56.287 -0.167 0.000 0.956 23 K CB -0.072 32.413 32.500 -0.026 0.000 0.735 23 K HN 0.383 nan 8.250 nan 0.000 0.451 24 L N 0.939 122.141 121.223 -0.035 0.000 2.095 24 L HA -0.090 4.250 4.340 -0.000 0.000 0.204 24 L C 2.526 179.296 176.870 -0.166 0.000 1.080 24 L CA 2.021 56.873 54.840 0.020 0.000 0.759 24 L CB -1.951 40.193 42.059 0.141 0.000 0.914 24 L HN 0.271 nan 8.230 nan 0.000 0.439 25 T N -2.630 111.742 114.554 -0.304 0.000 2.788 25 T HA -0.277 4.073 4.350 -0.000 0.000 0.268 25 T C 1.885 176.488 174.700 -0.162 0.000 1.044 25 T CA 1.502 63.427 62.100 -0.292 0.000 1.139 25 T CB -0.396 68.241 68.868 -0.385 0.000 0.867 25 T HN 0.244 nan 8.240 nan 0.000 0.454 26 M N 0.293 119.832 119.600 -0.102 0.000 2.132 26 M HA 0.110 4.589 4.480 -0.000 0.000 0.263 26 M C 2.470 178.615 176.300 -0.258 0.000 1.065 26 M CA 1.604 56.848 55.300 -0.093 0.000 1.122 26 M CB -0.333 32.208 32.600 -0.098 0.000 1.365 26 M HN 0.330 nan 8.290 nan 0.000 0.411 27 M N 0.114 119.544 119.600 -0.283 0.000 2.108 27 M HA -0.306 4.174 4.480 -0.000 0.000 0.261 27 M C 2.227 178.202 176.300 -0.542 0.000 1.066 27 M CA 2.290 57.394 55.300 -0.328 0.000 1.107 27 M CB -0.363 32.172 32.600 -0.108 0.000 1.356 27 M HN 0.527 nan 8.290 nan 0.000 0.406 28 Q N -0.083 119.141 119.800 -0.960 0.000 2.084 28 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 28 Q C 1.880 177.346 176.000 -0.889 0.000 0.978 28 Q CA 1.912 56.865 55.803 -1.416 0.000 0.844 28 Q CB -0.257 27.471 28.738 -1.683 0.000 0.898 28 Q HN 0.670 nan 8.270 nan 0.000 0.426 29 A N 0.027 122.494 122.820 -0.589 0.000 1.933 29 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 29 A C 2.207 179.724 177.584 -0.112 0.000 1.175 29 A CA 1.569 53.377 52.037 -0.382 0.000 0.628 29 A CB -0.706 18.015 19.000 -0.465 0.000 0.814 29 A HN 0.317 nan 8.150 nan 0.000 0.444 30 V N -0.023 119.786 119.914 -0.175 0.000 2.307 30 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 30 V C 2.459 178.458 176.094 -0.158 0.000 1.045 30 V CA 1.730 63.937 62.300 -0.155 0.000 1.024 30 V CB -0.715 30.740 31.823 -0.615 0.000 0.651 30 V HN 0.625 nan 8.190 nan 0.000 0.449 31 L N -0.437 120.597 121.223 -0.315 0.000 2.012 31 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 31 L C 2.531 179.346 176.870 -0.092 0.000 1.073 31 L CA 2.251 56.919 54.840 -0.288 0.000 0.748 31 L CB -0.509 41.299 42.059 -0.419 0.000 0.891 31 L HN 0.492 nan 8.230 nan 0.000 0.431 32 H N -1.293 117.662 119.070 -0.193 0.000 2.436 32 H HA -0.032 4.524 4.556 -0.000 0.000 0.294 32 H C 1.526 176.749 175.328 -0.175 0.000 1.048 32 H CA 0.997 56.941 56.048 -0.172 0.000 1.353 32 H CB 0.447 30.077 29.762 -0.220 0.000 1.414 32 H HN 0.470 nan 8.280 nan 0.000 0.536 33 N N -0.402 118.246 118.700 -0.087 0.000 2.460 33 N HA -0.015 4.725 4.740 -0.000 0.000 0.193 33 N C -0.500 174.628 175.510 -0.637 0.000 1.080 33 N CA 0.502 53.324 53.050 -0.379 0.000 0.869 33 N CB 0.909 39.133 38.487 -0.439 0.000 1.201 33 N HN 0.299 nan 8.380 nan 0.000 0.457 34 Y N 0.864 121.238 120.300 0.122 0.000 2.501 34 Y HA 0.317 4.867 4.550 -0.000 0.000 0.331 34 Y C -1.821 174.150 175.900 0.118 0.000 0.950 34 Y CA -1.422 56.762 58.100 0.139 0.000 1.120 34 Y CB 1.159 39.761 38.460 0.237 0.000 1.154 34 Y HN -0.022 nan 8.280 nan 0.000 0.630 35 P HA -0.214 nan 4.420 nan 0.000 0.216 35 P C 0.223 177.621 177.300 0.164 0.000 1.150 35 P CA 1.873 65.032 63.100 0.099 0.000 0.843 35 P CB 0.233 31.969 31.700 0.059 0.000 0.787 36 N N -1.347 117.464 118.700 0.184 0.000 2.235 36 N HA 0.307 5.047 4.740 -0.000 0.000 0.209 36 N C 0.415 176.041 175.510 0.194 0.000 1.122 36 N CA -0.492 52.666 53.050 0.181 0.000 0.845 36 N CB 0.143 38.714 38.487 0.141 0.000 1.004 36 N HN -0.032 nan 8.380 nan 0.000 0.499 37 A N 0.817 123.793 122.820 0.261 0.000 2.425 37 A HA 0.136 4.456 4.320 -0.000 0.000 0.242 37 A C 0.219 177.926 177.584 0.205 0.000 1.077 37 A CA -0.035 52.142 52.037 0.234 0.000 0.781 37 A CB 0.483 19.698 19.000 0.359 0.000 1.020 37 A HN 0.392 nan 8.150 nan 0.000 0.494 38 E N 0.445 120.688 120.200 0.071 0.000 2.227 38 E HA 0.610 4.960 4.350 -0.000 0.000 0.268 38 E C -1.245 175.303 176.600 -0.086 0.000 0.907 38 E CA -0.421 55.998 56.400 0.032 0.000 0.786 38 E CB 1.879 31.577 29.700 -0.004 0.000 1.191 38 E HN 0.921 nan 8.360 nan 0.000 0.411 39 V N -0.230 119.650 119.914 -0.056 0.000 3.188 39 V HA 0.708 4.827 4.120 -0.000 0.000 0.305 39 V C -1.021 175.032 176.094 -0.069 0.000 1.232 39 V CA -0.864 61.327 62.300 -0.182 0.000 1.043 39 V CB 1.979 33.622 31.823 -0.301 0.000 1.068 39 V HN 0.702 nan 8.190 nan 0.000 0.439 40 E N 0.877 120.953 120.200 -0.206 0.000 2.293 40 E HA 0.633 4.983 4.350 -0.000 0.000 0.270 40 E C -2.031 174.441 176.600 -0.213 0.000 0.879 40 E CA -0.269 56.085 56.400 -0.077 0.000 0.756 40 E CB 2.563 32.203 29.700 -0.101 0.000 1.208 40 E HN 0.715 nan 8.360 nan 0.000 0.428 41 W N 0.874 122.177 121.300 0.005 0.000 2.882 41 W HA 0.452 5.112 4.660 -0.000 0.000 0.345 41 W C -0.403 176.149 176.519 0.055 0.000 1.125 41 W CA -0.488 56.878 57.345 0.035 0.000 1.167 41 W CB 1.592 31.099 29.460 0.080 0.000 1.431 41 W HN 0.319 nan 8.180 nan 0.000 0.543 42 E N 1.552 121.944 120.200 0.320 0.000 2.275 42 E HA 0.311 4.661 4.350 -0.000 0.000 0.270 42 E C -1.563 175.215 176.600 0.297 0.000 0.882 42 E CA -1.105 55.445 56.400 0.250 0.000 0.758 42 E CB 2.502 32.283 29.700 0.135 0.000 1.195 42 E HN 0.319 nan 8.360 nan 0.000 0.419 43 F N 2.878 122.925 119.950 0.162 0.000 2.389 43 F HA 0.488 5.015 4.527 -0.000 0.000 0.337 43 F C -0.225 175.667 175.800 0.152 0.000 1.112 43 F CA -0.187 57.913 58.000 0.167 0.000 1.192 43 F CB 0.778 39.880 39.000 0.170 0.000 1.185 43 F HN 0.351 nan 8.300 nan 0.000 0.552 44 R N 5.128 125.155 120.500 -0.789 0.000 2.515 44 R HA 0.417 4.757 4.340 -0.000 0.000 0.278 44 R C -2.150 173.750 176.300 -0.668 0.000 1.107 44 R CA -0.706 55.104 56.100 -0.484 0.000 0.945 44 R CB 1.194 31.395 30.300 -0.165 0.000 1.219 44 R HN 0.941 nan 8.270 nan 0.000 0.434 45 C N 4.997 124.124 119.300 -0.288 0.000 2.239 45 C HA 0.477 4.937 4.460 -0.000 0.000 0.325 45 C C 0.975 175.953 174.990 -0.019 0.000 1.231 45 C CA -0.654 58.308 59.018 -0.093 0.000 1.652 45 C CB 0.170 28.024 27.740 0.190 0.000 2.284 45 C HN 0.993 nan 8.230 nan 0.000 0.499 46 R N 2.909 123.387 120.500 -0.038 0.000 2.307 46 R HA 0.057 4.397 4.340 -0.000 0.000 0.199 46 R C 1.495 177.805 176.300 0.018 0.000 1.000 46 R CA 0.720 56.814 56.100 -0.010 0.000 1.023 46 R CB -0.327 29.960 30.300 -0.021 0.000 0.908 46 R HN 0.709 nan 8.270 nan 0.000 0.473 47 N N 0.317 119.038 118.700 0.034 0.000 2.416 47 N HA -0.040 4.699 4.740 -0.000 0.000 0.177 47 N C -0.187 175.358 175.510 0.058 0.000 1.036 47 N CA 0.349 53.428 53.050 0.048 0.000 0.901 47 N CB 0.347 38.871 38.487 0.061 0.000 0.976 47 N HN 0.085 nan 8.380 nan 0.000 0.444 48 Q N -0.654 119.189 119.800 0.072 0.000 2.465 48 Q HA -0.236 4.104 4.340 -0.000 0.000 0.248 48 Q C -0.679 175.370 176.000 0.081 0.000 0.819 48 Q CA 0.606 56.455 55.803 0.077 0.000 1.219 48 Q CB -1.829 26.942 28.738 0.055 0.000 1.472 48 Q HN 0.542 nan 8.270 nan 0.000 0.630 49 E N 1.420 121.676 120.200 0.093 0.000 2.360 49 E HA 0.046 4.396 4.350 -0.000 0.000 0.269 49 E C -0.289 176.365 176.600 0.089 0.000 1.022 49 E CA -0.326 56.126 56.400 0.088 0.000 0.887 49 E CB 0.633 30.396 29.700 0.106 0.000 0.990 49 E HN 0.036 nan 8.360 nan 0.000 0.426 50 D N 4.358 124.783 120.400 0.040 0.000 2.358 50 D HA 0.033 4.673 4.640 -0.000 0.000 0.258 50 D C 0.018 176.270 176.300 -0.081 0.000 1.223 50 D CA -0.143 53.856 54.000 -0.002 0.000 0.886 50 D CB 0.837 41.611 40.800 -0.044 0.000 1.120 50 D HN 0.351 nan 8.370 nan 0.000 0.482 51 L N 4.161 125.351 121.223 -0.055 0.000 2.766 51 L HA 0.249 4.588 4.340 -0.000 0.000 0.242 51 L C 2.199 178.879 176.870 -0.316 0.000 1.136 51 L CA 0.097 54.818 54.840 -0.199 0.000 0.933 51 L CB -0.288 41.657 42.059 -0.192 0.000 1.241 51 L HN 0.336 nan 8.230 nan 0.000 0.522 52 R N 0.412 120.826 120.500 -0.142 0.000 2.119 52 R HA -0.191 4.149 4.340 -0.000 0.000 0.246 52 R C 1.818 178.005 176.300 -0.188 0.000 1.146 52 R CA 1.688 57.747 56.100 -0.068 0.000 0.962 52 R CB -0.563 29.726 30.300 -0.020 0.000 0.863 52 R HN 0.276 nan 8.270 nan 0.000 0.442 53 L N -1.750 119.252 121.223 -0.368 0.000 2.450 53 L HA -0.090 4.250 4.340 -0.000 0.000 0.224 53 L C 1.144 177.819 176.870 -0.326 0.000 1.149 53 L CA 1.325 55.943 54.840 -0.370 0.000 0.816 53 L CB -1.233 40.558 42.059 -0.445 0.000 0.932 53 L HN 0.062 nan 8.230 nan 0.000 0.449 54 Y N -0.792 119.405 120.300 -0.171 0.000 2.466 54 Y HA 0.274 4.824 4.550 -0.000 0.000 0.272 54 Y C 2.180 177.961 175.900 -0.199 0.000 1.169 54 Y CA -0.852 57.118 58.100 -0.216 0.000 1.285 54 Y CB -0.594 37.681 38.460 -0.308 0.000 1.078 54 Y HN 0.087 nan 8.280 nan 0.000 0.523 55 L N 0.506 121.709 121.223 -0.033 0.000 2.013 55 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 55 L C -0.310 176.558 176.870 -0.003 0.000 1.073 55 L CA 1.722 56.568 54.840 0.010 0.000 0.753 55 L CB -1.444 40.641 42.059 0.044 0.000 0.890 55 L HN 0.168 nan 8.230 nan 0.000 0.432 56 P HA -0.211 nan 4.420 nan 0.000 0.214 56 P C 1.417 178.704 177.300 -0.022 0.000 1.163 56 P CA 1.946 65.036 63.100 -0.016 0.000 0.889 56 P CB -0.048 31.640 31.700 -0.019 0.000 0.790 57 A N -0.939 121.866 122.820 -0.025 0.000 1.933 57 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 57 A C 2.233 179.782 177.584 -0.059 0.000 1.175 57 A CA 1.446 53.452 52.037 -0.051 0.000 0.628 57 A CB -1.639 17.318 19.000 -0.072 0.000 0.814 57 A HN 0.112 nan 8.150 nan 0.000 0.444 58 I N -0.995 119.542 120.570 -0.055 0.000 2.226 58 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 58 I C 2.778 178.881 176.117 -0.022 0.000 1.100 58 I CA 1.270 62.539 61.300 -0.053 0.000 1.374 58 I CB -0.308 37.657 38.000 -0.059 0.000 1.057 58 I HN 0.293 nan 8.210 nan 0.000 0.413 59 R N 0.338 120.829 120.500 -0.015 0.000 2.096 59 R HA -0.200 4.140 4.340 -0.000 0.000 0.235 59 R C 2.214 178.514 176.300 -0.001 0.000 1.127 59 R CA 1.374 57.468 56.100 -0.009 0.000 0.968 59 R CB -0.303 29.989 30.300 -0.013 0.000 0.861 59 R HN 0.422 nan 8.270 nan 0.000 0.440 60 E N 0.429 120.624 120.200 -0.008 0.000 2.085 60 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 60 E C 1.956 178.571 176.600 0.025 0.000 0.994 60 E CA 1.117 57.517 56.400 -0.000 0.000 0.801 60 E CB 0.229 29.914 29.700 -0.024 0.000 0.743 60 E HN 0.240 nan 8.360 nan 0.000 0.453 61 Q N -0.025 119.780 119.800 0.007 0.000 2.124 61 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 61 Q C 2.290 178.345 176.000 0.092 0.000 0.977 61 Q CA 0.713 56.541 55.803 0.042 0.000 0.850 61 Q CB -0.239 28.491 28.738 -0.013 0.000 0.901 61 Q HN 0.276 nan 8.270 nan 0.000 0.429 62 L N 1.355 122.607 121.223 0.047 0.000 2.042 62 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 62 L C 2.172 179.075 176.870 0.055 0.000 1.076 62 L CA 1.677 56.546 54.840 0.048 0.000 0.749 62 L CB -0.687 41.389 42.059 0.029 0.000 0.893 62 L HN 0.252 nan 8.230 nan 0.000 0.432 63 E N -1.880 118.354 120.200 0.056 0.000 2.077 63 E HA -0.280 4.070 4.350 -0.000 0.000 0.193 63 E C 2.139 178.779 176.600 0.066 0.000 0.989 63 E CA 1.360 57.790 56.400 0.049 0.000 0.800 63 E CB -0.342 29.384 29.700 0.043 0.000 0.746 63 E HN 0.492 nan 8.360 nan 0.000 0.452 64 Y N 1.842 122.129 120.300 -0.023 0.000 2.128 64 Y HA -0.243 4.307 4.550 -0.000 0.000 0.284 64 Y C 2.003 177.893 175.900 -0.018 0.000 1.154 64 Y CA 1.455 59.540 58.100 -0.024 0.000 1.149 64 Y CB -0.361 38.077 38.460 -0.036 0.000 0.976 64 Y HN -0.054 nan 8.280 nan 0.000 0.505 65 L N -0.168 121.019 121.223 -0.059 0.000 2.042 65 L HA -0.273 4.067 4.340 -0.000 0.000 0.210 65 L C 2.711 179.543 176.870 -0.064 0.000 1.076 65 L CA 1.334 56.060 54.840 -0.191 0.000 0.749 65 L CB -1.052 40.817 42.059 -0.316 0.000 0.893 65 L HN 0.406 nan 8.230 nan 0.000 0.432 66 A N -0.165 122.644 122.820 -0.018 0.000 2.067 66 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 66 A C 2.193 179.745 177.584 -0.054 0.000 1.158 66 A CA 1.466 53.512 52.037 0.015 0.000 0.661 66 A CB -0.722 18.288 19.000 0.017 0.000 0.801 66 A HN 0.469 nan 8.150 nan 0.000 0.452 67 G N -1.382 107.350 108.800 -0.114 0.000 2.939 67 G HA2 0.350 4.309 3.960 -0.000 0.000 0.210 67 G HA3 0.350 4.309 3.960 -0.000 0.000 0.210 67 G C 0.299 175.090 174.900 -0.182 0.000 1.160 67 G CA -0.246 44.772 45.100 -0.136 0.000 0.770 67 G HN 0.298 nan 8.290 nan 0.000 0.543 68 L N 1.752 122.848 121.223 -0.212 0.000 2.455 68 L HA 0.545 4.885 4.340 -0.000 0.000 0.272 68 L C 0.272 177.074 176.870 -0.112 0.000 1.174 68 L CA -0.290 54.439 54.840 -0.184 0.000 0.869 68 L CB 0.937 42.931 42.059 -0.108 0.000 1.130 68 L HN 0.112 nan 8.230 nan 0.000 0.474 69 A N 5.589 128.348 122.820 -0.102 0.000 2.402 69 A HA 0.447 4.767 4.320 -0.000 0.000 0.291 69 A C -0.512 177.036 177.584 -0.061 0.000 1.051 69 A CA -0.620 51.363 52.037 -0.090 0.000 0.716 69 A CB 0.629 19.572 19.000 -0.095 0.000 1.223 69 A HN 0.661 nan 8.150 nan 0.000 0.425 70 I N 2.815 123.357 120.570 -0.047 0.000 2.775 70 I HA 0.097 4.267 4.170 -0.000 0.000 0.290 70 I C 1.131 177.232 176.117 -0.027 0.000 1.203 70 I CA 0.562 61.845 61.300 -0.029 0.000 1.433 70 I CB 0.868 38.852 38.000 -0.027 0.000 1.354 70 I HN 0.817 nan 8.210 nan 0.000 0.579 71 S N 4.716 120.409 115.700 -0.012 0.000 2.617 71 S HA 0.169 4.639 4.470 -0.000 0.000 0.269 71 S C 0.775 175.376 174.600 0.002 0.000 1.292 71 S CA -0.737 57.459 58.200 -0.007 0.000 1.010 71 S CB 1.371 64.571 63.200 -0.000 0.000 0.944 71 S HN 0.660 nan 8.310 nan 0.000 0.536 72 D N 1.376 121.776 120.400 0.001 0.000 2.123 72 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 72 D C 2.093 178.407 176.300 0.024 0.000 0.992 72 D CA 1.706 55.710 54.000 0.007 0.000 0.833 72 D CB -0.229 40.573 40.800 0.004 0.000 0.954 72 D HN 0.893 nan 8.370 nan 0.000 0.455 73 E N 1.207 121.424 120.200 0.029 0.000 2.106 73 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 73 E C 1.882 178.529 176.600 0.078 0.000 0.984 73 E CA 0.825 57.253 56.400 0.047 0.000 0.806 73 E CB -0.540 29.180 29.700 0.034 0.000 0.750 73 E HN 0.344 nan 8.360 nan 0.000 0.458 74 Q N 0.317 120.154 119.800 0.062 0.000 2.079 74 Q HA -0.068 4.272 4.340 -0.000 0.000 0.200 74 Q C 2.304 178.383 176.000 0.132 0.000 0.974 74 Q CA 1.266 57.121 55.803 0.088 0.000 0.840 74 Q CB -0.140 28.630 28.738 0.053 0.000 0.898 74 Q HN 0.192 nan 8.270 nan 0.000 0.430 75 L N 0.395 121.661 121.223 0.071 0.000 2.093 75 L HA -0.071 4.269 4.340 -0.000 0.000 0.208 75 L C 2.064 178.967 176.870 0.055 0.000 1.085 75 L CA 1.831 56.699 54.840 0.045 0.000 0.755 75 L CB -0.659 41.400 42.059 -0.000 0.000 0.904 75 L HN 0.143 nan 8.230 nan 0.000 0.435 76 A N -1.128 121.731 122.820 0.066 0.000 1.972 76 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 76 A C 2.225 179.849 177.584 0.068 0.000 1.169 76 A CA 1.592 53.660 52.037 0.051 0.000 0.635 76 A CB -1.082 17.948 19.000 0.051 0.000 0.810 76 A HN 0.534 nan 8.150 nan 0.000 0.446 77 F N 0.171 120.113 119.950 -0.013 0.000 2.134 77 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 77 F C 1.744 177.529 175.800 -0.024 0.000 1.097 77 F CA 1.472 59.461 58.000 -0.019 0.000 1.264 77 F CB -0.215 38.778 39.000 -0.013 0.000 1.001 77 F HN 0.151 nan 8.300 nan 0.000 0.479 78 L N 0.727 121.957 121.223 0.010 0.000 2.056 78 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 78 L C 2.445 179.245 176.870 -0.117 0.000 1.078 78 L CA 1.811 56.616 54.840 -0.058 0.000 0.749 78 L CB -1.403 40.700 42.059 0.074 0.000 0.901 78 L HN 0.274 nan 8.230 nan 0.000 0.433 79 E N -0.515 119.643 120.200 -0.070 0.000 2.160 79 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 79 E C 2.113 178.649 176.600 -0.108 0.000 0.991 79 E CA 0.900 57.262 56.400 -0.062 0.000 0.810 79 E CB 0.098 29.780 29.700 -0.030 0.000 0.742 79 E HN 0.396 nan 8.360 nan 0.000 0.466 80 R N -0.011 120.389 120.500 -0.167 0.000 2.276 80 R HA 0.078 4.418 4.340 -0.000 0.000 0.203 80 R C 0.455 176.611 176.300 -0.240 0.000 1.017 80 R CA 0.184 56.173 56.100 -0.185 0.000 1.010 80 R CB 0.025 30.206 30.300 -0.198 0.000 0.900 80 R HN 0.201 nan 8.270 nan 0.000 0.469 81 I N 3.894 124.272 120.570 -0.320 0.000 2.421 81 I HA 0.021 4.190 4.170 -0.000 0.000 0.291 81 I C -1.108 174.789 176.117 -0.367 0.000 1.089 81 I CA -1.680 59.371 61.300 -0.414 0.000 1.354 81 I CB 1.108 38.790 38.000 -0.529 0.000 1.413 81 I HN -0.116 nan 8.210 nan 0.000 0.513 82 P HA -0.238 nan 4.420 nan 0.000 0.217 82 P C 1.062 178.357 177.300 -0.008 0.000 1.151 82 P CA 1.848 64.902 63.100 -0.076 0.000 0.849 82 P CB -0.122 31.598 31.700 0.033 0.000 0.787 83 F N -1.944 118.040 119.950 0.057 0.000 2.692 83 F HA 0.373 4.900 4.527 -0.000 0.000 0.303 83 F C 0.580 176.449 175.800 0.114 0.000 1.114 83 F CA -0.789 57.262 58.000 0.085 0.000 1.361 83 F CB -0.965 38.095 39.000 0.101 0.000 1.063 83 F HN -0.292 nan 8.300 nan 0.000 0.550 84 L N 2.207 123.392 121.223 -0.064 0.000 2.262 84 L HA 0.659 4.999 4.340 -0.000 0.000 0.288 84 L C 0.443 177.389 176.870 0.127 0.000 1.035 84 L CA -1.078 53.808 54.840 0.075 0.000 0.820 84 L CB 1.118 43.220 42.059 0.071 0.000 1.204 84 L HN 0.232 nan 8.230 nan 0.000 0.424 85 A N 6.362 129.292 122.820 0.182 0.000 2.386 85 A HA 0.387 4.707 4.320 -0.000 0.000 0.248 85 A C -1.261 176.439 177.584 0.193 0.000 1.082 85 A CA -1.112 51.033 52.037 0.181 0.000 0.789 85 A CB 0.051 19.195 19.000 0.240 0.000 1.025 85 A HN 0.615 nan 8.150 nan 0.000 0.490 86 P HA -0.240 nan 4.420 nan 0.000 0.216 86 P C 0.779 178.154 177.300 0.124 0.000 1.153 86 P CA 1.798 64.955 63.100 0.095 0.000 0.858 86 P CB -0.102 31.634 31.700 0.059 0.000 0.789 87 D N -0.759 119.741 120.400 0.165 0.000 2.178 87 D HA -0.201 4.439 4.640 -0.000 0.000 0.202 87 D C 1.949 178.400 176.300 0.252 0.000 0.974 87 D CA 0.756 54.870 54.000 0.189 0.000 0.841 87 D CB -1.127 39.790 40.800 0.195 0.000 0.953 87 D HN 0.118 nan 8.370 nan 0.000 0.478 88 F N 1.669 121.679 119.950 0.100 0.000 2.163 88 F HA -0.037 4.490 4.527 -0.000 0.000 0.297 88 F C 2.234 178.090 175.800 0.093 0.000 1.094 88 F CA 0.540 58.563 58.000 0.038 0.000 1.290 88 F CB -0.197 38.752 39.000 -0.085 0.000 1.017 88 F HN -0.198 nan 8.300 nan 0.000 0.483 89 I N 0.520 121.082 120.570 -0.014 0.000 2.208 89 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 89 I C 2.508 178.565 176.117 -0.100 0.000 1.097 89 I CA 1.336 62.564 61.300 -0.120 0.000 1.363 89 I CB -1.338 36.654 38.000 -0.013 0.000 1.051 89 I HN 0.148 nan 8.210 nan 0.000 0.413 90 R N 0.991 121.487 120.500 -0.007 0.000 2.096 90 R HA -0.197 4.143 4.340 -0.000 0.000 0.235 90 R C 2.252 178.548 176.300 -0.007 0.000 1.127 90 R CA 1.376 57.478 56.100 0.003 0.000 0.968 90 R CB -1.201 29.127 30.300 0.047 0.000 0.861 90 R HN 0.249 nan 8.270 nan 0.000 0.440 91 F N 0.394 120.282 119.950 -0.104 0.000 2.095 91 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 91 F C 1.699 177.416 175.800 -0.139 0.000 1.104 91 F CA 1.645 59.590 58.000 -0.092 0.000 1.232 91 F CB -0.233 38.714 39.000 -0.089 0.000 0.987 91 F HN 0.018 nan 8.300 nan 0.000 0.475 92 L N -0.330 120.760 121.223 -0.221 0.000 2.083 92 L HA -0.149 4.191 4.340 -0.000 0.000 0.209 92 L C 2.744 179.508 176.870 -0.177 0.000 1.083 92 L CA 1.252 55.932 54.840 -0.266 0.000 0.752 92 L CB -1.548 40.287 42.059 -0.373 0.000 0.899 92 L HN 0.335 nan 8.230 nan 0.000 0.433 93 G N -0.134 108.575 108.800 -0.153 0.000 2.448 93 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.219 93 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.219 93 G C 1.523 176.347 174.900 -0.127 0.000 1.127 93 G CA 0.477 45.511 45.100 -0.110 0.000 0.766 93 G HN 0.306 nan 8.290 nan 0.000 0.552 94 L N -1.031 120.081 121.223 -0.185 0.000 2.590 94 L HA 0.382 4.722 4.340 -0.000 0.000 0.227 94 L C 0.740 177.444 176.870 -0.276 0.000 1.099 94 L CA -0.735 53.981 54.840 -0.206 0.000 0.872 94 L CB 0.091 42.030 42.059 -0.200 0.000 1.088 94 L HN 0.112 nan 8.230 nan 0.000 0.479 95 F N 2.492 122.154 119.950 -0.479 0.000 2.572 95 F HA 0.175 4.701 4.527 -0.000 0.000 0.370 95 F C 0.434 176.034 175.800 -0.334 0.000 1.103 95 F CA 0.193 57.904 58.000 -0.482 0.000 1.286 95 F CB 0.264 38.947 39.000 -0.528 0.000 1.105 95 F HN -0.096 nan 8.300 nan 0.000 0.583 96 R N 5.743 125.373 120.500 -1.451 0.000 2.604 96 R HA 0.264 4.604 4.340 -0.000 0.000 0.281 96 R C -1.453 174.057 176.300 -1.317 0.000 1.020 96 R CA -1.020 54.453 56.100 -1.046 0.000 0.899 96 R CB 1.193 31.199 30.300 -0.490 0.000 1.205 96 R HN 0.537 nan 8.270 nan 0.000 0.450 97 F N 1.645 121.151 119.950 -0.740 0.000 2.538 97 F HA 0.092 4.619 4.527 -0.000 0.000 0.371 97 F C 1.469 177.192 175.800 -0.129 0.000 1.087 97 F CA 0.313 58.086 58.000 -0.378 0.000 1.250 97 F CB 0.391 39.201 39.000 -0.317 0.000 1.110 97 F HN 0.182 nan 8.300 nan 0.000 0.570 98 N N 6.144 125.021 118.700 0.294 0.000 2.462 98 N HA 0.197 4.937 4.740 -0.000 0.000 0.242 98 N C -1.731 173.839 175.510 0.100 0.000 1.010 98 N CA -2.265 50.784 53.050 -0.002 0.000 0.939 98 N CB 1.237 39.431 38.487 -0.489 0.000 1.127 98 N HN 0.177 nan 8.380 nan 0.000 0.509 99 P HA -0.119 nan 4.420 nan 0.000 0.221 99 P C 0.670 177.939 177.300 -0.052 0.000 1.145 99 P CA 0.929 64.059 63.100 0.051 0.000 0.795 99 P CB 0.453 32.166 31.700 0.021 0.000 0.775 100 R N -1.438 118.964 120.500 -0.164 0.000 2.285 100 R HA -0.071 4.269 4.340 -0.000 0.000 0.213 100 R C 1.545 177.816 176.300 -0.048 0.000 1.068 100 R CA 0.851 56.862 56.100 -0.148 0.000 1.004 100 R CB -0.458 29.721 30.300 -0.201 0.000 0.873 100 R HN 0.301 nan 8.270 nan 0.000 0.467 101 Y N -0.507 119.811 120.300 0.031 0.000 2.490 101 Y HA 0.133 4.683 4.550 -0.000 0.000 0.281 101 Y C 0.602 176.418 175.900 -0.141 0.000 1.174 101 Y CA -0.577 57.520 58.100 -0.005 0.000 1.295 101 Y CB 0.360 38.870 38.460 0.083 0.000 1.062 101 Y HN -0.283 nan 8.280 nan 0.000 0.522 102 V N 1.296 121.166 119.914 -0.074 0.000 2.459 102 V HA 0.384 4.504 4.120 -0.000 0.000 0.295 102 V C -0.351 175.703 176.094 -0.067 0.000 1.029 102 V CA -1.055 61.148 62.300 -0.162 0.000 0.874 102 V CB 1.882 33.530 31.823 -0.292 0.000 0.985 102 V HN 0.047 nan 8.190 nan 0.000 0.438 103 Q N 2.079 121.855 119.800 -0.039 0.000 2.310 103 Q HA 0.651 4.990 4.340 -0.000 0.000 0.270 103 Q C -0.771 175.128 176.000 -0.170 0.000 1.025 103 Q CA -0.266 55.536 55.803 -0.002 0.000 0.772 103 Q CB 2.504 31.332 28.738 0.149 0.000 1.253 103 Q HN 0.815 nan 8.270 nan 0.000 0.450 104 T N 0.722 115.037 114.554 -0.398 0.000 2.900 104 T HA 0.883 5.233 4.350 -0.000 0.000 0.303 104 T C -0.589 173.534 174.700 -0.962 0.000 1.142 104 T CA 0.338 61.886 62.100 -0.920 0.000 1.007 104 T CB 1.762 70.323 68.868 -0.512 0.000 1.156 104 T HN 0.840 nan 8.240 nan 0.000 0.490 105 G N 1.954 109.935 108.800 -1.365 0.000 2.513 105 G HA2 0.336 4.295 3.960 -0.000 0.000 0.182 105 G HA3 0.336 4.295 3.960 -0.000 0.000 0.182 105 G C -1.893 172.825 174.900 -0.303 0.000 1.190 105 G CA -0.489 44.273 45.100 -0.562 0.000 0.987 105 G HN 0.849 nan 8.290 nan 0.000 0.479 106 I N 1.008 121.677 120.570 0.164 0.000 2.498 106 I HA 0.586 4.756 4.170 -0.000 0.000 0.290 106 I C -0.796 175.513 176.117 0.320 0.000 1.032 106 I CA -0.441 61.012 61.300 0.255 0.000 1.073 106 I CB 2.247 40.326 38.000 0.131 0.000 1.251 106 I HN 0.445 nan 8.210 nan 0.000 0.426 107 E N 5.138 125.490 120.200 0.253 0.000 2.275 107 E HA 0.328 4.678 4.350 -0.000 0.000 0.270 107 E C -0.919 175.703 176.600 0.035 0.000 0.882 107 E CA -0.755 55.664 56.400 0.032 0.000 0.758 107 E CB 1.493 31.048 29.700 -0.241 0.000 1.195 107 E HN 0.536 nan 8.360 nan 0.000 0.419 108 N N 3.859 122.563 118.700 0.006 0.000 2.714 108 N HA -0.198 4.542 4.740 -0.000 0.000 0.252 108 N C -1.063 174.471 175.510 0.039 0.000 1.014 108 N CA 1.347 54.405 53.050 0.013 0.000 0.735 108 N CB -0.925 37.563 38.487 0.001 0.000 0.924 108 N HN 0.793 nan 8.380 nan 0.000 0.540 109 D N -1.091 119.338 120.400 0.048 0.000 2.708 109 D HA -0.209 4.430 4.640 -0.000 0.000 0.236 109 D C 0.075 176.424 176.300 0.080 0.000 1.146 109 D CA 1.397 55.429 54.000 0.055 0.000 0.662 109 D CB -0.730 40.092 40.800 0.036 0.000 1.059 109 D HN 0.772 nan 8.370 nan 0.000 0.428 110 E N -0.406 119.864 120.200 0.117 0.000 2.335 110 E HA 0.334 4.684 4.350 -0.000 0.000 0.280 110 E C -0.844 175.898 176.600 0.236 0.000 0.918 110 E CA -0.841 55.660 56.400 0.167 0.000 0.765 110 E CB 1.526 31.317 29.700 0.152 0.000 1.218 110 E HN -0.033 nan 8.360 nan 0.000 0.425 111 F N 5.343 125.358 119.950 0.108 0.000 2.518 111 F HA 0.403 4.930 4.527 -0.000 0.000 0.359 111 F C -0.992 174.908 175.800 0.167 0.000 1.118 111 F CA 0.122 58.154 58.000 0.054 0.000 1.287 111 F CB 0.319 39.302 39.000 -0.028 0.000 1.132 111 F HN 0.375 nan 8.300 nan 0.000 0.587 112 F N 5.583 124.922 119.950 -1.019 0.000 2.626 112 F HA 0.785 5.311 4.527 -0.000 0.000 0.311 112 F C -2.335 172.870 175.800 -0.993 0.000 1.088 112 F CA -1.575 55.996 58.000 -0.715 0.000 0.949 112 F CB 1.411 40.248 39.000 -0.271 0.000 1.322 112 F HN 0.626 nan 8.300 nan 0.000 0.461 113 L N 3.016 124.003 121.223 -0.393 0.000 2.543 113 L HA 0.660 5.000 4.340 -0.000 0.000 0.265 113 L C -1.543 175.395 176.870 0.113 0.000 0.945 113 L CA -0.413 54.236 54.840 -0.317 0.000 0.869 113 L CB 2.020 43.856 42.059 -0.372 0.000 1.294 113 L HN 0.921 nan 8.230 nan 0.000 0.405 114 R N 4.685 125.260 120.500 0.126 0.000 2.744 114 R HA 0.758 5.098 4.340 -0.000 0.000 0.279 114 R C -1.650 174.714 176.300 0.106 0.000 0.977 114 R CA -0.867 55.338 56.100 0.174 0.000 0.906 114 R CB 2.504 32.921 30.300 0.194 0.000 1.197 114 R HN 0.516 nan 8.270 nan 0.000 0.463 115 L N 1.540 122.860 121.223 0.163 0.000 2.362 115 L HA 0.614 4.954 4.340 -0.000 0.000 0.271 115 L C -0.606 176.383 176.870 0.199 0.000 1.002 115 L CA -0.736 54.180 54.840 0.126 0.000 0.818 115 L CB 2.086 44.217 42.059 0.120 0.000 1.298 115 L HN 0.486 nan 8.230 nan 0.000 0.420 116 K N 1.672 122.164 120.400 0.153 0.000 2.571 116 K HA 0.726 5.046 4.320 -0.000 0.000 0.252 116 K C -0.939 175.674 176.600 0.021 0.000 0.956 116 K CA -0.297 56.056 56.287 0.110 0.000 0.822 116 K CB 2.237 34.790 32.500 0.088 0.000 1.286 116 K HN 0.814 nan 8.250 nan 0.000 0.439 117 G N 2.769 111.521 108.800 -0.081 0.000 2.343 117 G HA2 0.144 4.104 3.960 -0.000 0.000 0.289 117 G HA3 0.144 4.104 3.960 -0.000 0.000 0.289 117 G C -3.238 171.559 174.900 -0.170 0.000 1.295 117 G CA -0.993 43.879 45.100 -0.380 0.000 0.869 117 G HN 0.328 nan 8.290 nan 0.000 0.522 118 P HA 0.065 nan 4.420 nan 0.000 0.263 118 P C 0.320 177.802 177.300 0.303 0.000 1.195 118 P CA -0.114 63.077 63.100 0.152 0.000 0.762 118 P CB 0.505 32.385 31.700 0.299 0.000 0.799 119 W N 5.436 126.812 121.300 0.127 0.000 2.304 119 W HA -0.217 4.443 4.660 -0.000 0.000 0.315 119 W C 1.643 178.271 176.519 0.181 0.000 1.233 119 W CA 1.379 58.831 57.345 0.179 0.000 1.261 119 W CB -1.139 28.408 29.460 0.145 0.000 1.150 119 W HN 0.295 nan 8.180 nan 0.000 0.494 120 L N -0.217 121.133 121.223 0.212 0.000 2.081 120 L HA -0.281 4.059 4.340 -0.000 0.000 0.212 120 L C 2.425 179.285 176.870 -0.018 0.000 1.080 120 L CA 2.047 56.842 54.840 -0.074 0.000 0.754 120 L CB -0.886 41.062 42.059 -0.184 0.000 0.893 120 L HN 0.099 nan 8.230 nan 0.000 0.433 121 H N -1.975 117.290 119.070 0.324 0.000 2.544 121 H HA 0.062 4.618 4.556 -0.000 0.000 0.269 121 H C 2.022 177.698 175.328 0.580 0.000 0.970 121 H CA 0.883 57.249 56.048 0.531 0.000 1.219 121 H CB 0.704 30.823 29.762 0.596 0.000 1.421 121 H HN 0.265 nan 8.280 nan 0.000 0.555 122 V N 0.816 121.061 119.914 0.551 0.000 3.431 122 V HA -0.061 4.059 4.120 -0.000 0.000 0.253 122 V C 2.382 178.765 176.094 0.482 0.000 1.184 122 V CA 0.290 62.979 62.300 0.649 0.000 1.104 122 V CB 0.118 32.209 31.823 0.446 0.000 0.799 122 V HN 0.237 nan 8.190 nan 0.000 0.462 123 I N 0.084 120.849 120.570 0.325 0.000 2.236 123 I HA -0.282 3.888 4.170 -0.000 0.000 0.249 123 I C 2.044 178.220 176.117 0.098 0.000 1.102 123 I CA 1.728 63.132 61.300 0.174 0.000 1.365 123 I CB 0.099 38.148 38.000 0.082 0.000 1.051 123 I HN 0.231 nan 8.210 nan 0.000 0.420 124 L N 0.032 121.314 121.223 0.098 0.000 2.465 124 L HA -0.094 4.246 4.340 -0.000 0.000 0.224 124 L C 1.818 178.897 176.870 0.349 0.000 1.145 124 L CA 1.460 56.373 54.840 0.122 0.000 0.834 124 L CB -1.140 40.815 42.059 -0.173 0.000 0.944 124 L HN 0.209 nan 8.230 nan 0.000 0.451 125 F N 0.066 120.230 119.950 0.357 0.000 2.206 125 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 125 F C 2.214 178.014 175.800 -0.001 0.000 1.090 125 F CA 0.800 58.895 58.000 0.158 0.000 1.323 125 F CB -0.257 38.813 39.000 0.118 0.000 1.028 125 F HN 0.188 nan 8.300 nan 0.000 0.492 126 E N 0.006 120.257 120.200 0.084 0.000 2.055 126 E HA -0.268 4.082 4.350 -0.000 0.000 0.209 126 E C 2.274 178.911 176.600 0.062 0.000 1.036 126 E CA 2.166 58.527 56.400 -0.065 0.000 0.849 126 E CB -0.843 28.692 29.700 -0.275 0.000 0.767 126 E HN 0.173 nan 8.360 nan 0.000 0.461 127 V N 1.500 121.474 119.914 0.100 0.000 2.270 127 V HA -0.163 3.957 4.120 -0.000 0.000 0.245 127 V C -0.827 175.354 176.094 0.146 0.000 1.043 127 V CA 2.070 64.458 62.300 0.146 0.000 1.014 127 V CB -1.487 30.448 31.823 0.187 0.000 0.645 127 V HN 0.275 nan 8.190 nan 0.000 0.447 128 P HA -0.141 nan 4.420 nan 0.000 0.220 128 P C 1.911 179.264 177.300 0.088 0.000 1.148 128 P CA 1.404 64.568 63.100 0.107 0.000 0.803 128 P CB 0.010 31.754 31.700 0.073 0.000 0.782 129 L N -1.106 120.180 121.223 0.106 0.000 2.056 129 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 129 L C 2.792 179.740 176.870 0.130 0.000 1.078 129 L CA 1.164 56.072 54.840 0.113 0.000 0.749 129 L CB -0.722 41.427 42.059 0.150 0.000 0.901 129 L HN -0.075 nan 8.230 nan 0.000 0.433 130 L N -0.762 120.557 121.223 0.159 0.000 2.072 130 L HA -0.150 4.190 4.340 -0.000 0.000 0.205 130 L C 2.846 179.790 176.870 0.123 0.000 1.079 130 L CA 1.072 56.017 54.840 0.175 0.000 0.752 130 L CB -0.662 41.498 42.059 0.169 0.000 0.906 130 L HN 0.215 nan 8.230 nan 0.000 0.436 131 A N -0.327 122.564 122.820 0.117 0.000 1.933 131 A HA -0.250 4.069 4.320 -0.000 0.000 0.218 131 A C 2.322 179.945 177.584 0.064 0.000 1.175 131 A CA 1.807 53.909 52.037 0.108 0.000 0.628 131 A CB -0.507 18.583 19.000 0.150 0.000 0.814 131 A HN 0.383 nan 8.150 nan 0.000 0.444 132 M N -0.194 119.435 119.600 0.048 0.000 2.156 132 M HA -0.032 4.448 4.480 -0.000 0.000 0.264 132 M C 1.933 178.196 176.300 -0.061 0.000 1.067 132 M CA 1.671 56.968 55.300 -0.005 0.000 1.131 132 M CB -0.685 31.916 32.600 0.001 0.000 1.368 132 M HN 0.427 nan 8.290 nan 0.000 0.416 133 I N -0.356 120.190 120.570 -0.040 0.000 2.252 133 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 133 I C 2.646 178.681 176.117 -0.137 0.000 1.102 133 I CA 1.263 62.498 61.300 -0.108 0.000 1.385 133 I CB -0.475 37.502 38.000 -0.039 0.000 1.064 133 I HN 0.365 nan 8.210 nan 0.000 0.414 134 S N 0.524 116.191 115.700 -0.054 0.000 2.348 134 S HA -0.291 4.179 4.470 -0.000 0.000 0.221 134 S C 2.047 176.545 174.600 -0.171 0.000 1.033 134 S CA 2.080 60.236 58.200 -0.072 0.000 1.010 134 S CB -0.229 62.970 63.200 -0.002 0.000 0.891 134 S HN 0.500 nan 8.310 nan 0.000 0.442 135 E N 0.194 120.307 120.200 -0.144 0.000 2.150 135 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 135 E C 1.988 178.402 176.600 -0.310 0.000 0.985 135 E CA 1.494 57.786 56.400 -0.180 0.000 0.814 135 E CB -0.157 29.513 29.700 -0.050 0.000 0.752 135 E HN 0.564 nan 8.360 nan 0.000 0.466 136 V N -0.567 119.151 119.914 -0.327 0.000 2.427 136 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 136 V C 2.512 178.197 176.094 -0.682 0.000 1.051 136 V CA 1.968 64.007 62.300 -0.435 0.000 1.048 136 V CB -0.758 30.848 31.823 -0.362 0.000 0.666 136 V HN 0.198 nan 8.190 nan 0.000 0.456 137 R N 1.144 121.195 120.500 -0.748 0.000 2.066 137 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 137 R C 2.193 178.176 176.300 -0.529 0.000 1.131 137 R CA 2.230 57.749 56.100 -0.969 0.000 0.955 137 R CB -0.497 29.467 30.300 -0.561 0.000 0.851 137 R HN 0.707 nan 8.270 nan 0.000 0.432 138 N N -0.079 118.399 118.700 -0.370 0.000 2.223 138 N HA -0.127 4.613 4.740 -0.000 0.000 0.185 138 N C 1.817 177.185 175.510 -0.238 0.000 1.016 138 N CA 0.991 53.912 53.050 -0.214 0.000 0.863 138 N CB -0.030 38.098 38.487 -0.599 0.000 0.983 138 N HN 0.206 nan 8.380 nan 0.000 0.429 139 R N 0.341 120.442 120.500 -0.665 0.000 2.152 139 R HA -0.012 4.328 4.340 -0.000 0.000 0.232 139 R C 1.977 177.990 176.300 -0.477 0.000 1.117 139 R CA 1.231 56.687 56.100 -1.072 0.000 0.981 139 R CB -0.062 29.654 30.300 -0.973 0.000 0.870 139 R HN 0.233 nan 8.270 nan 0.000 0.451 140 A N 0.267 122.879 122.820 -0.347 0.000 1.956 140 A HA 0.054 4.374 4.320 -0.000 0.000 0.212 140 A C 1.920 179.422 177.584 -0.137 0.000 1.188 140 A CA 0.311 52.247 52.037 -0.167 0.000 0.675 140 A CB 0.105 19.096 19.000 -0.015 0.000 0.845 140 A HN 0.015 nan 8.150 nan 0.000 0.455 141 R N -1.315 119.045 120.500 -0.233 0.000 2.093 141 R HA 0.018 4.358 4.340 -0.000 0.000 0.224 141 R C -0.344 175.592 176.300 -0.605 0.000 1.101 141 R CA 0.932 56.748 56.100 -0.474 0.000 0.979 141 R CB -0.270 29.582 30.300 -0.746 0.000 0.877 141 R HN 0.598 nan 8.270 nan 0.000 0.441 142 Y N -0.477 119.925 120.300 0.169 0.000 2.495 142 Y HA 0.318 4.868 4.550 -0.000 0.000 0.362 142 Y C -1.811 174.308 175.900 0.364 0.000 0.956 142 Y CA -2.647 55.620 58.100 0.279 0.000 1.127 142 Y CB 1.089 39.812 38.460 0.438 0.000 1.173 142 Y HN -0.016 nan 8.280 nan 0.000 0.639 143 P HA -0.223 nan 4.420 nan 0.000 0.216 143 P C 1.310 178.821 177.300 0.352 0.000 1.150 143 P CA 2.041 65.299 63.100 0.263 0.000 0.843 143 P CB 0.427 32.192 31.700 0.109 0.000 0.787 144 A N -1.351 121.632 122.820 0.271 0.000 2.278 144 A HA 0.461 4.781 4.320 -0.000 0.000 0.212 144 A C 1.064 178.736 177.584 0.146 0.000 1.213 144 A CA 0.061 52.210 52.037 0.186 0.000 0.840 144 A CB -1.005 18.068 19.000 0.122 0.000 0.866 144 A HN 0.211 nan 8.150 nan 0.000 0.489 145 A N 0.820 123.763 122.820 0.205 0.000 2.498 145 A HA 0.481 4.801 4.320 -0.000 0.000 0.239 145 A C 0.799 178.314 177.584 -0.115 0.000 1.068 145 A CA 0.785 52.828 52.037 0.010 0.000 0.766 145 A CB -0.260 18.767 19.000 0.045 0.000 1.003 145 A HN 0.807 nan 8.150 nan 0.000 0.497 146 T N -0.975 113.482 114.554 -0.163 0.000 2.932 146 T HA 0.481 4.831 4.350 -0.000 0.000 0.289 146 T C 1.008 175.590 174.700 -0.197 0.000 1.039 146 T CA -0.123 61.886 62.100 -0.151 0.000 1.024 146 T CB 1.104 69.915 68.868 -0.096 0.000 1.090 146 T HN 1.428 nan 8.240 nan 0.000 0.496 147 V N -0.900 118.917 119.914 -0.161 0.000 2.515 147 V HA -0.015 4.105 4.120 -0.000 0.000 0.250 147 V C 2.369 178.372 176.094 -0.150 0.000 1.058 147 V CA 1.896 64.100 62.300 -0.159 0.000 1.064 147 V CB -1.301 30.451 31.823 -0.118 0.000 0.675 147 V HN 0.920 nan 8.190 nan 0.000 0.461 148 E N 1.023 121.148 120.200 -0.124 0.000 2.118 148 E HA -0.232 4.117 4.350 -0.000 0.000 0.195 148 E C 2.283 178.802 176.600 -0.134 0.000 0.992 148 E CA 1.917 58.250 56.400 -0.112 0.000 0.804 148 E CB -0.459 29.190 29.700 -0.085 0.000 0.741 148 E HN 0.809 nan 8.360 nan 0.000 0.458 149 Q N -0.583 119.122 119.800 -0.159 0.000 2.084 149 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 149 Q C 2.220 178.097 176.000 -0.206 0.000 0.978 149 Q CA 1.463 57.158 55.803 -0.179 0.000 0.844 149 Q CB -0.234 28.374 28.738 -0.216 0.000 0.898 149 Q HN 0.358 nan 8.270 nan 0.000 0.426 150 A N 1.117 123.794 122.820 -0.238 0.000 1.898 150 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 150 A C 2.052 179.514 177.584 -0.204 0.000 1.181 150 A CA 1.400 53.296 52.037 -0.235 0.000 0.620 150 A CB -0.409 18.449 19.000 -0.238 0.000 0.819 150 A HN 0.145 nan 8.150 nan 0.000 0.442 151 R N -0.288 120.102 120.500 -0.184 0.000 2.083 151 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 151 R C 2.206 178.396 176.300 -0.183 0.000 1.137 151 R CA 1.956 57.949 56.100 -0.178 0.000 0.951 151 R CB -0.285 29.931 30.300 -0.138 0.000 0.851 151 R HN 0.723 nan 8.270 nan 0.000 0.434 152 E N -0.609 119.499 120.200 -0.153 0.000 2.051 152 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 152 E C 2.107 178.619 176.600 -0.146 0.000 0.991 152 E CA 0.694 57.014 56.400 -0.132 0.000 0.799 152 E CB 0.068 29.703 29.700 -0.107 0.000 0.748 152 E HN 0.110 nan 8.360 nan 0.000 0.449 153 R N 0.800 121.207 120.500 -0.156 0.000 2.091 153 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 153 R C 2.394 178.584 176.300 -0.183 0.000 1.136 153 R CA 0.775 56.788 56.100 -0.144 0.000 0.959 153 R CB -0.952 29.262 30.300 -0.144 0.000 0.856 153 R HN 0.297 nan 8.270 nan 0.000 0.437 154 L N 1.082 122.142 121.223 -0.272 0.000 1.970 154 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 154 L C 2.211 178.687 176.870 -0.657 0.000 1.071 154 L CA 1.778 56.326 54.840 -0.487 0.000 0.751 154 L CB -0.417 41.291 42.059 -0.585 0.000 0.889 154 L HN 0.234 nan 8.230 nan 0.000 0.432 155 Q N -0.357 119.160 119.800 -0.470 0.000 2.181 155 Q HA -0.288 4.052 4.340 -0.000 0.000 0.205 155 Q C 1.878 177.828 176.000 -0.083 0.000 0.980 155 Q CA 1.673 57.311 55.803 -0.274 0.000 0.862 155 Q CB -0.310 28.352 28.738 -0.126 0.000 0.905 155 Q HN 0.607 nan 8.270 nan 0.000 0.429 156 E N 0.912 121.061 120.200 -0.085 0.000 2.085 156 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 156 E C 1.669 178.317 176.600 0.080 0.000 0.994 156 E CA 1.176 57.575 56.400 -0.002 0.000 0.801 156 E CB 0.181 29.861 29.700 -0.032 0.000 0.743 156 E HN 0.250 nan 8.360 nan 0.000 0.453 157 K N -0.544 119.891 120.400 0.058 0.000 2.155 157 K HA -0.073 4.247 4.320 -0.000 0.000 0.203 157 K C 1.957 178.819 176.600 0.437 0.000 1.052 157 K CA 0.705 57.114 56.287 0.203 0.000 0.948 157 K CB -0.067 32.533 32.500 0.165 0.000 0.728 157 K HN 0.129 nan 8.250 nan 0.000 0.448 158 F N 2.405 122.446 119.950 0.151 0.000 2.134 158 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 158 F C 1.891 177.737 175.800 0.078 0.000 1.097 158 F CA 1.017 59.086 58.000 0.116 0.000 1.264 158 F CB -0.814 38.218 39.000 0.053 0.000 1.001 158 F HN 0.046 nan 8.300 nan 0.000 0.479 159 D N -0.962 119.600 120.400 0.270 0.000 2.104 159 D HA -0.256 4.384 4.640 -0.000 0.000 0.194 159 D C 2.078 178.454 176.300 0.126 0.000 0.994 159 D CA 1.242 55.328 54.000 0.143 0.000 0.830 159 D CB -0.834 40.030 40.800 0.106 0.000 0.959 159 D HN 0.420 nan 8.370 nan 0.000 0.452 160 W N 1.426 122.750 121.300 0.041 0.000 2.333 160 W HA -0.225 4.435 4.660 -0.000 0.000 0.316 160 W C 2.188 178.699 176.519 -0.013 0.000 1.215 160 W CA 1.194 58.546 57.345 0.012 0.000 1.278 160 W CB -0.601 28.872 29.460 0.021 0.000 1.154 160 W HN -0.009 nan 8.180 nan 0.000 0.486 161 L N 1.500 122.860 121.223 0.227 0.000 2.042 161 L HA -0.144 4.196 4.340 -0.000 0.000 0.210 161 L C 2.613 179.312 176.870 -0.284 0.000 1.076 161 L CA 2.137 56.936 54.840 -0.068 0.000 0.749 161 L CB -1.037 41.118 42.059 0.161 0.000 0.893 161 L HN 0.039 nan 8.230 nan 0.000 0.432 162 R N -0.971 119.421 120.500 -0.179 0.000 2.092 162 R HA -0.108 4.232 4.340 -0.000 0.000 0.231 162 R C 2.367 178.532 176.300 -0.224 0.000 1.119 162 R CA 1.458 57.443 56.100 -0.192 0.000 0.970 162 R CB -0.045 30.186 30.300 -0.115 0.000 0.864 162 R HN 0.413 nan 8.270 nan 0.000 0.440 163 R N -0.584 119.758 120.500 -0.263 0.000 2.075 163 R HA -0.092 4.247 4.340 -0.000 0.000 0.226 163 R C 2.127 178.210 176.300 -0.362 0.000 1.114 163 R CA 1.215 57.153 56.100 -0.270 0.000 0.972 163 R CB -0.141 30.013 30.300 -0.244 0.000 0.869 163 R HN 0.097 nan 8.270 nan 0.000 0.437 164 E N 1.377 121.222 120.200 -0.592 0.000 2.046 164 E HA 0.001 4.351 4.350 -0.000 0.000 0.190 164 E C -0.071 176.270 176.600 -0.431 0.000 0.982 164 E CA 1.024 57.042 56.400 -0.636 0.000 0.800 164 E CB 0.031 29.001 29.700 -1.216 0.000 0.756 164 E HN 0.293 nan 8.360 nan 0.000 0.449 165 A N 0.390 122.960 122.820 -0.418 0.000 2.304 165 A HA 0.552 4.872 4.320 -0.000 0.000 0.301 165 A C 0.223 177.675 177.584 -0.219 0.000 1.132 165 A CA -0.040 51.814 52.037 -0.305 0.000 0.819 165 A CB 0.607 19.389 19.000 -0.362 0.000 1.094 165 A HN 0.333 nan 8.150 nan 0.000 0.492 166 S N 0.942 116.550 115.700 -0.153 0.000 2.624 166 S HA 0.484 4.954 4.470 -0.000 0.000 0.263 166 S C 1.264 175.805 174.600 -0.099 0.000 1.287 166 S CA -0.074 58.061 58.200 -0.108 0.000 0.990 166 S CB 1.113 64.273 63.200 -0.066 0.000 0.950 166 S HN 1.606 nan 8.310 nan 0.000 0.561 167 A N 0.483 123.258 122.820 -0.076 0.000 1.933 167 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 167 A C 2.151 179.714 177.584 -0.035 0.000 1.175 167 A CA 1.536 53.535 52.037 -0.063 0.000 0.628 167 A CB -1.008 17.963 19.000 -0.048 0.000 0.814 167 A HN 0.955 nan 8.150 nan 0.000 0.444 168 E N 0.352 120.543 120.200 -0.015 0.000 2.077 168 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 168 E C 1.838 178.472 176.600 0.057 0.000 0.989 168 E CA 1.590 58.004 56.400 0.024 0.000 0.800 168 E CB -0.204 29.514 29.700 0.029 0.000 0.746 168 E HN 0.766 nan 8.360 nan 0.000 0.452 169 E N 0.475 120.698 120.200 0.038 0.000 2.051 169 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 169 E C 2.441 178.989 176.600 -0.086 0.000 0.991 169 E CA 1.033 57.474 56.400 0.068 0.000 0.799 169 E CB -0.158 29.547 29.700 0.008 0.000 0.748 169 E HN 0.275 nan 8.360 nan 0.000 0.449 170 L N 0.708 121.862 121.223 -0.115 0.000 2.127 170 L HA -0.184 4.156 4.340 -0.000 0.000 0.211 170 L C 2.553 179.416 176.870 -0.011 0.000 1.089 170 L CA 0.842 55.620 54.840 -0.103 0.000 0.757 170 L CB -0.510 41.456 42.059 -0.155 0.000 0.899 170 L HN 0.150 nan 8.230 nan 0.000 0.434 171 A N -0.010 122.816 122.820 0.010 0.000 2.019 171 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 171 A C 2.127 179.768 177.584 0.095 0.000 1.164 171 A CA 1.689 53.755 52.037 0.048 0.000 0.644 171 A CB -0.669 18.360 19.000 0.047 0.000 0.805 171 A HN 0.459 nan 8.150 nan 0.000 0.449 172 G N -2.652 106.222 108.800 0.122 0.000 3.324 172 G HA2 0.337 4.297 3.960 -0.000 0.000 0.251 172 G HA3 0.337 4.297 3.960 -0.000 0.000 0.251 172 G C -0.077 174.923 174.900 0.166 0.000 1.072 172 G CA -0.235 44.990 45.100 0.208 0.000 0.787 172 G HN 0.272 nan 8.290 nan 0.000 0.537 173 F N 3.328 123.144 119.950 -0.224 0.000 2.462 173 F HA 0.449 4.976 4.527 -0.000 0.000 0.354 173 F C 0.043 175.920 175.800 0.128 0.000 1.192 173 F CA -1.552 56.285 58.000 -0.271 0.000 1.173 173 F CB 0.461 39.203 39.000 -0.430 0.000 1.402 173 F HN -0.255 nan 8.300 nan 0.000 0.595 174 K N 6.621 127.059 120.400 0.064 0.000 2.276 174 K HA 0.321 4.641 4.320 -0.000 0.000 0.285 174 K C -0.507 176.056 176.600 -0.061 0.000 1.062 174 K CA -0.391 55.922 56.287 0.043 0.000 0.918 174 K CB 1.353 33.904 32.500 0.084 0.000 1.055 174 K HN 0.636 nan 8.250 nan 0.000 0.477 175 M N 2.164 121.707 119.600 -0.094 0.000 2.464 175 M HA 0.553 5.033 4.480 -0.000 0.000 0.308 175 M C -1.627 174.594 176.300 -0.133 0.000 1.127 175 M CA -0.466 54.720 55.300 -0.190 0.000 0.913 175 M CB 2.227 34.551 32.600 -0.459 0.000 1.689 175 M HN 0.669 nan 8.290 nan 0.000 0.445 176 A N 2.505 125.221 122.820 -0.173 0.000 2.469 176 A HA 0.702 5.022 4.320 -0.000 0.000 0.299 176 A C -1.733 175.791 177.584 -0.101 0.000 1.098 176 A CA -0.688 51.231 52.037 -0.196 0.000 0.737 176 A CB 1.254 20.055 19.000 -0.332 0.000 1.312 176 A HN 0.795 nan 8.150 nan 0.000 0.414 177 D N 0.012 120.514 120.400 0.170 0.000 2.280 177 D HA 0.562 5.202 4.640 -0.000 0.000 0.236 177 D C -0.903 175.642 176.300 0.409 0.000 1.082 177 D CA -0.063 54.132 54.000 0.324 0.000 0.834 177 D CB 0.325 41.404 40.800 0.465 0.000 1.100 177 D HN 0.164 nan 8.370 nan 0.000 0.486 178 F N 2.194 122.248 119.950 0.172 0.000 2.764 178 F HA 0.373 4.900 4.527 -0.000 0.000 0.310 178 F C 1.683 177.526 175.800 0.072 0.000 1.124 178 F CA -0.848 57.205 58.000 0.088 0.000 1.252 178 F CB 0.843 39.850 39.000 0.011 0.000 1.010 178 F HN 0.563 nan 8.300 nan 0.000 0.518 179 G N -0.316 108.622 108.800 0.230 0.000 3.262 179 G HA2 0.006 3.966 3.960 -0.000 0.000 0.228 179 G HA3 0.006 3.966 3.960 -0.000 0.000 0.228 179 G C 1.317 176.139 174.900 -0.131 0.000 1.197 179 G CA 0.534 45.649 45.100 0.024 0.000 0.819 179 G HN 0.218 nan 8.290 nan 0.000 0.531 180 T N 1.507 116.097 114.554 0.060 0.000 2.607 180 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 180 T C 2.571 177.352 174.700 0.136 0.000 1.049 180 T CA 1.570 63.779 62.100 0.182 0.000 1.162 180 T CB -0.176 68.905 68.868 0.354 0.000 0.863 180 T HN 0.630 nan 8.240 nan 0.000 0.424 181 R N 1.499 122.082 120.500 0.138 0.000 2.139 181 R HA -0.083 4.257 4.340 -0.000 0.000 0.243 181 R C 1.552 177.910 176.300 0.096 0.000 1.145 181 R CA 1.471 57.648 56.100 0.128 0.000 0.976 181 R CB -0.280 30.100 30.300 0.134 0.000 0.866 181 R HN 0.319 nan 8.270 nan 0.000 0.449 182 R N 1.342 121.879 120.500 0.062 0.000 2.629 182 R HA 0.178 4.518 4.340 -0.000 0.000 0.386 182 R C -0.294 176.031 176.300 0.041 0.000 1.071 182 R CA -0.447 55.683 56.100 0.050 0.000 1.104 182 R CB 0.631 30.950 30.300 0.031 0.000 1.370 182 R HN 0.296 nan 8.270 nan 0.000 0.574 183 R N -0.159 120.359 120.500 0.031 0.000 2.756 183 R HA -0.038 4.302 4.340 -0.000 0.000 0.264 183 R C 0.377 176.746 176.300 0.115 0.000 1.026 183 R CA -0.031 56.093 56.100 0.040 0.000 1.121 183 R CB 0.280 30.586 30.300 0.010 0.000 0.999 183 R HN 0.019 nan 8.270 nan 0.000 0.449 184 F N 1.360 121.318 119.950 0.013 0.000 2.146 184 F HA -0.105 4.422 4.527 -0.000 0.000 0.298 184 F C 0.407 176.273 175.800 0.111 0.000 1.096 184 F CA 1.653 59.678 58.000 0.043 0.000 1.275 184 F CB 0.245 39.231 39.000 -0.023 0.000 1.008 184 F HN 0.821 nan 8.300 nan 0.000 0.480 185 S N -3.062 112.748 115.700 0.183 0.000 2.611 185 S HA 0.125 4.595 4.470 -0.000 0.000 0.270 185 S C 0.008 174.733 174.600 0.207 0.000 1.131 185 S CA -0.331 57.971 58.200 0.170 0.000 0.826 185 S CB 0.070 63.385 63.200 0.192 0.000 1.095 185 S HN 0.230 nan 8.310 nan 0.000 0.461 186 Y N 1.652 122.043 120.300 0.151 0.000 2.181 186 Y HA 0.000 4.550 4.550 -0.000 0.000 0.288 186 Y C 2.501 178.487 175.900 0.144 0.000 1.146 186 Y CA 2.194 60.390 58.100 0.160 0.000 1.164 186 Y CB -0.363 38.157 38.460 0.101 0.000 0.982 186 Y HN 0.812 nan 8.280 nan 0.000 0.515 187 R N -0.255 120.163 120.500 -0.137 0.000 2.083 187 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 187 R C 2.224 178.402 176.300 -0.204 0.000 1.137 187 R CA 1.921 57.894 56.100 -0.213 0.000 0.951 187 R CB -0.805 29.471 30.300 -0.039 0.000 0.851 187 R HN 0.344 nan 8.270 nan 0.000 0.434 188 V N -0.332 119.535 119.914 -0.079 0.000 2.427 188 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 188 V C 2.128 178.207 176.094 -0.026 0.000 1.051 188 V CA 2.190 64.458 62.300 -0.054 0.000 1.048 188 V CB -0.608 31.230 31.823 0.025 0.000 0.666 188 V HN 0.527 nan 8.190 nan 0.000 0.456 189 H N -0.314 118.676 119.070 -0.133 0.000 2.353 189 H HA -0.211 4.345 4.556 -0.000 0.000 0.300 189 H C 2.474 177.695 175.328 -0.178 0.000 1.090 189 H CA 1.720 57.708 56.048 -0.099 0.000 1.327 189 H CB 0.309 30.061 29.762 -0.017 0.000 1.383 189 H HN 0.541 nan 8.280 nan 0.000 0.508 190 E N 0.225 120.228 120.200 -0.327 0.000 2.051 190 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 190 E C 2.319 178.810 176.600 -0.182 0.000 0.991 190 E CA 0.872 57.062 56.400 -0.351 0.000 0.799 190 E CB -0.134 29.244 29.700 -0.538 0.000 0.748 190 E HN 0.556 nan 8.360 nan 0.000 0.449 191 A N 0.503 123.224 122.820 -0.165 0.000 1.933 191 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 191 A C 2.388 179.890 177.584 -0.137 0.000 1.175 191 A CA 1.366 53.323 52.037 -0.133 0.000 0.628 191 A CB -0.580 18.340 19.000 -0.133 0.000 0.814 191 A HN 0.234 nan 8.150 nan 0.000 0.444 192 V N -0.463 119.377 119.914 -0.122 0.000 2.307 192 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 192 V C 2.568 178.539 176.094 -0.205 0.000 1.045 192 V CA 1.960 64.157 62.300 -0.172 0.000 1.024 192 V CB -0.596 31.160 31.823 -0.112 0.000 0.651 192 V HN 0.374 nan 8.190 nan 0.000 0.449 193 V N -0.542 119.309 119.914 -0.104 0.000 2.427 193 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 193 V C 2.643 178.649 176.094 -0.148 0.000 1.051 193 V CA 2.166 64.397 62.300 -0.115 0.000 1.048 193 V CB -0.578 31.258 31.823 0.021 0.000 0.666 193 V HN 0.611 nan 8.190 nan 0.000 0.456 194 S N 0.594 116.230 115.700 -0.107 0.000 2.359 194 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 194 S C 2.106 176.654 174.600 -0.086 0.000 1.035 194 S CA 1.916 60.068 58.200 -0.079 0.000 1.018 194 S CB -0.645 62.511 63.200 -0.073 0.000 0.876 194 S HN 0.629 nan 8.310 nan 0.000 0.448 195 G N 1.417 110.152 108.800 -0.110 0.000 2.421 195 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.216 195 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.216 195 G C 1.454 176.380 174.900 0.042 0.000 1.171 195 G CA 0.895 45.972 45.100 -0.038 0.000 0.775 195 G HN 0.515 nan 8.290 nan 0.000 0.543 196 L N 0.210 121.310 121.223 -0.205 0.000 2.042 196 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 196 L C 2.839 179.383 176.870 -0.543 0.000 1.076 196 L CA 1.715 56.204 54.840 -0.585 0.000 0.749 196 L CB -0.269 40.857 42.059 -1.555 0.000 0.893 196 L HN 0.240 nan 8.230 nan 0.000 0.432 197 K N -0.279 119.925 120.400 -0.326 0.000 2.097 197 K HA -0.162 4.158 4.320 -0.000 0.000 0.205 197 K C 1.890 178.516 176.600 0.044 0.000 1.050 197 K CA 1.166 57.472 56.287 0.032 0.000 0.938 197 K CB 0.179 32.742 32.500 0.105 0.000 0.718 197 K HN 0.265 nan 8.250 nan 0.000 0.442 198 E N 0.059 120.267 120.200 0.013 0.000 2.190 198 E HA -0.092 4.258 4.350 -0.000 0.000 0.191 198 E C 0.611 177.235 176.600 0.041 0.000 0.978 198 E CA 0.949 57.368 56.400 0.032 0.000 0.839 198 E CB 0.231 29.946 29.700 0.026 0.000 0.787 198 E HN 0.305 nan 8.360 nan 0.000 0.473 199 D N -1.145 119.293 120.400 0.064 0.000 2.538 199 D HA 0.022 4.662 4.640 -0.000 0.000 0.241 199 D C -0.737 175.426 176.300 -0.229 0.000 1.297 199 D CA -0.407 53.620 54.000 0.045 0.000 0.804 199 D CB 0.151 41.086 40.800 0.226 0.000 1.122 199 D HN -0.129 nan 8.370 nan 0.000 0.519 200 F N 1.552 121.180 119.950 -0.537 0.000 2.571 200 F HA 0.221 4.748 4.527 -0.000 0.000 0.384 200 F C -1.494 174.019 175.800 -0.479 0.000 1.058 200 F CA -1.643 55.810 58.000 -0.911 0.000 1.200 200 F CB 1.097 39.753 39.000 -0.573 0.000 1.077 200 F HN -0.086 nan 8.300 nan 0.000 0.558 201 P HA -0.024 nan 4.420 nan 0.000 0.219 201 P C 0.762 177.651 177.300 -0.684 0.000 1.146 201 P CA 1.307 63.979 63.100 -0.713 0.000 0.808 201 P CB 0.048 31.407 31.700 -0.569 0.000 0.779 202 G N -1.228 106.823 108.800 -1.249 0.000 2.714 202 G HA2 0.225 4.185 3.960 -0.000 0.000 0.197 202 G HA3 0.225 4.185 3.960 -0.000 0.000 0.197 202 G C -0.812 174.138 174.900 0.083 0.000 1.449 202 G CA -0.284 44.577 45.100 -0.399 0.000 1.065 202 G HN 0.079 nan 8.290 nan 0.000 0.575 203 C N 0.078 119.590 119.300 0.353 0.000 2.225 203 C HA 0.413 4.873 4.460 -0.000 0.000 0.323 203 C C -0.427 174.788 174.990 0.376 0.000 1.164 203 C CA -0.833 58.367 59.018 0.304 0.000 1.565 203 C CB -1.167 26.673 27.740 0.168 0.000 2.124 203 C HN 0.412 nan 8.230 nan 0.000 0.461 204 F N 4.584 124.659 119.950 0.207 0.000 2.438 204 F HA 0.340 4.867 4.527 -0.000 0.000 0.360 204 F C 1.156 176.952 175.800 -0.008 0.000 1.118 204 F CA -0.499 57.490 58.000 -0.018 0.000 1.164 204 F CB 0.918 39.893 39.000 -0.042 0.000 1.131 204 F HN 0.515 nan 8.300 nan 0.000 0.527 205 V N 3.634 123.298 119.914 -0.417 0.000 3.235 205 V HA 0.615 4.735 4.120 -0.000 0.000 0.259 205 V C 0.930 176.705 176.094 -0.531 0.000 1.133 205 V CA 0.870 62.957 62.300 -0.356 0.000 1.128 205 V CB -0.820 30.902 31.823 -0.168 0.000 0.757 205 V HN 1.126 nan 8.190 nan 0.000 0.469 206 G N -0.827 107.342 108.800 -1.052 0.000 2.350 206 G HA2 0.373 4.333 3.960 -0.000 0.000 0.282 206 G HA3 0.373 4.333 3.960 -0.000 0.000 0.282 206 G C -0.767 173.863 174.900 -0.449 0.000 1.314 206 G CA 0.065 44.735 45.100 -0.716 0.000 0.915 206 G HN 0.653 nan 8.290 nan 0.000 0.499 207 T N -1.737 112.775 114.554 -0.070 0.000 2.903 207 T HA 0.615 4.965 4.350 -0.000 0.000 0.299 207 T C 1.504 176.333 174.700 0.214 0.000 1.093 207 T CA 0.969 63.169 62.100 0.166 0.000 1.002 207 T CB 1.457 70.468 68.868 0.238 0.000 1.127 207 T HN 1.818 nan 8.240 nan 0.000 0.488 208 S N 2.619 118.519 115.700 0.334 0.000 2.496 208 S HA 0.071 4.541 4.470 -0.000 0.000 0.224 208 S C 0.826 175.594 174.600 0.280 0.000 0.996 208 S CA -0.067 58.300 58.200 0.277 0.000 0.927 208 S CB -0.325 62.975 63.200 0.167 0.000 0.774 208 S HN 0.701 nan 8.310 nan 0.000 0.524 209 N N 1.896 120.764 118.700 0.280 0.000 2.420 209 N HA 0.109 4.849 4.740 -0.000 0.000 0.262 209 N C 1.001 176.616 175.510 0.173 0.000 1.144 209 N CA 0.035 53.237 53.050 0.254 0.000 0.952 209 N CB 1.443 40.070 38.487 0.234 0.000 1.081 209 N HN 0.077 nan 8.380 nan 0.000 0.480 210 V N 3.808 123.845 119.914 0.206 0.000 2.358 210 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 210 V C 2.291 178.405 176.094 0.034 0.000 1.047 210 V CA 1.484 63.877 62.300 0.154 0.000 1.035 210 V CB -1.031 30.952 31.823 0.267 0.000 0.658 210 V HN 0.793 nan 8.190 nan 0.000 0.452 211 H N 0.296 119.364 119.070 -0.003 0.000 2.321 211 H HA -0.131 4.425 4.556 -0.000 0.000 0.300 211 H C 2.218 177.492 175.328 -0.090 0.000 1.087 211 H CA 2.001 58.004 56.048 -0.075 0.000 1.319 211 H CB 0.013 29.756 29.762 -0.031 0.000 1.379 211 H HN 0.361 nan 8.280 nan 0.000 0.501 212 L N 0.401 121.497 121.223 -0.212 0.000 2.141 212 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 212 L C 3.132 179.890 176.870 -0.186 0.000 1.094 212 L CA 0.746 55.440 54.840 -0.243 0.000 0.763 212 L CB -0.486 41.498 42.059 -0.124 0.000 0.908 212 L HN 0.318 nan 8.230 nan 0.000 0.437 213 A N 0.305 123.047 122.820 -0.129 0.000 1.902 213 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 213 A C 2.444 179.913 177.584 -0.191 0.000 1.181 213 A CA 1.791 53.777 52.037 -0.085 0.000 0.623 213 A CB -0.493 18.502 19.000 -0.008 0.000 0.818 213 A HN 0.354 nan 8.150 nan 0.000 0.443 214 R N -0.273 119.925 120.500 -0.503 0.000 2.062 214 R HA -0.096 4.243 4.340 -0.000 0.000 0.229 214 R C 2.301 178.355 176.300 -0.410 0.000 1.128 214 R CA 1.737 57.352 56.100 -0.809 0.000 0.960 214 R CB -0.289 29.162 30.300 -1.415 0.000 0.855 214 R HN 0.490 nan 8.270 nan 0.000 0.432 215 K N 0.371 120.526 120.400 -0.408 0.000 2.057 215 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 215 K C 1.378 177.882 176.600 -0.161 0.000 1.049 215 K CA 1.346 57.459 56.287 -0.289 0.000 0.931 215 K CB 0.043 32.297 32.500 -0.410 0.000 0.714 215 K HN 0.261 nan 8.250 nan 0.000 0.440 216 L N 0.879 122.021 121.223 -0.135 0.000 2.741 216 L HA 0.089 4.429 4.340 -0.000 0.000 0.237 216 L C -0.292 176.567 176.870 -0.018 0.000 1.178 216 L CA -0.283 54.525 54.840 -0.053 0.000 0.973 216 L CB 0.045 42.090 42.059 -0.023 0.000 1.255 216 L HN 0.244 nan 8.230 nan 0.000 0.498 217 D N 1.611 121.990 120.400 -0.035 0.000 2.803 217 D HA -0.209 4.431 4.640 -0.000 0.000 0.233 217 D C -0.784 175.532 176.300 0.026 0.000 1.182 217 D CA 0.849 54.855 54.000 0.010 0.000 0.726 217 D CB -0.793 40.019 40.800 0.019 0.000 0.987 217 D HN 0.206 nan 8.370 nan 0.000 0.412 218 L N 0.115 121.350 121.223 0.020 0.000 2.309 218 L HA 0.466 4.806 4.340 -0.000 0.000 0.261 218 L C 0.695 177.563 176.870 -0.003 0.000 1.021 218 L CA -1.284 53.559 54.840 0.005 0.000 0.823 218 L CB 1.611 43.676 42.059 0.012 0.000 1.366 218 L HN -0.034 nan 8.230 nan 0.000 0.423 219 K N 3.219 123.590 120.400 -0.048 0.000 2.297 219 K HA 0.284 4.604 4.320 -0.000 0.000 0.286 219 K C -2.361 174.194 176.600 -0.076 0.000 1.053 219 K CA -1.403 54.852 56.287 -0.053 0.000 0.940 219 K CB 0.949 33.417 32.500 -0.055 0.000 1.019 219 K HN 0.189 nan 8.250 nan 0.000 0.475 220 P HA 0.121 nan 4.420 nan 0.000 0.281 220 P C -1.036 176.189 177.300 -0.126 0.000 1.252 220 P CA -0.097 62.856 63.100 -0.245 0.000 0.778 220 P CB 0.760 32.056 31.700 -0.675 0.000 0.895 221 L N 2.712 124.000 121.223 0.109 0.000 2.342 221 L HA 0.909 5.249 4.340 -0.000 0.000 0.271 221 L C 0.637 177.697 176.870 0.316 0.000 1.008 221 L CA -0.598 54.389 54.840 0.245 0.000 0.818 221 L CB 2.361 44.558 42.059 0.230 0.000 1.296 221 L HN 0.523 nan 8.230 nan 0.000 0.427 222 G N -0.046 108.914 108.800 0.267 0.000 2.717 222 G HA2 0.459 4.419 3.960 -0.000 0.000 0.300 222 G HA3 0.459 4.419 3.960 -0.000 0.000 0.300 222 G C -0.582 174.345 174.900 0.044 0.000 1.424 222 G CA 0.109 45.261 45.100 0.088 0.000 1.033 222 G HN 0.655 nan 8.290 nan 0.000 0.577 223 T N -0.258 114.247 114.554 -0.080 0.000 3.160 223 T HA 0.717 5.067 4.350 -0.000 0.000 0.251 223 T C 0.904 175.567 174.700 -0.062 0.000 1.088 223 T CA -0.349 61.725 62.100 -0.044 0.000 1.119 223 T CB 0.438 69.240 68.868 -0.109 0.000 2.590 223 T HN 0.657 nan 8.240 nan 0.000 0.482 224 M N 1.044 120.524 119.600 -0.200 0.000 2.472 224 M HA 0.666 5.146 4.480 -0.000 0.000 0.331 224 M C -1.052 175.151 176.300 -0.162 0.000 1.170 224 M CA -0.938 54.094 55.300 -0.447 0.000 1.009 224 M CB 1.570 33.817 32.600 -0.589 0.000 1.672 224 M HN 0.844 nan 8.290 nan 0.000 0.453 225 A N 1.956 124.672 122.820 -0.174 0.000 2.325 225 A HA 0.383 4.703 4.320 -0.000 0.000 0.333 225 A C -0.059 177.549 177.584 0.041 0.000 1.155 225 A CA -0.498 51.545 52.037 0.010 0.000 0.814 225 A CB 0.353 19.267 19.000 -0.143 0.000 1.206 225 A HN 1.101 nan 8.150 nan 0.000 0.482 226 H N 0.454 119.580 119.070 0.093 0.000 2.352 226 H HA -0.192 4.364 4.556 -0.000 0.000 0.299 226 H C 2.027 177.421 175.328 0.110 0.000 1.097 226 H CA 2.576 58.661 56.048 0.063 0.000 1.311 226 H CB 0.195 29.981 29.762 0.040 0.000 1.377 226 H HN 0.921 nan 8.280 nan 0.000 0.504 227 E N 0.334 120.722 120.200 0.313 0.000 2.160 227 E HA -0.255 4.095 4.350 -0.000 0.000 0.195 227 E C 2.015 178.819 176.600 0.341 0.000 0.991 227 E CA 1.093 57.654 56.400 0.268 0.000 0.810 227 E CB -0.637 29.348 29.700 0.474 0.000 0.742 227 E HN 0.692 nan 8.360 nan 0.000 0.466 228 W N 1.815 123.271 121.300 0.260 0.000 2.381 228 W HA -0.129 4.531 4.660 -0.000 0.000 0.301 228 W C 1.659 178.367 176.519 0.314 0.000 1.205 228 W CA 1.008 58.582 57.345 0.382 0.000 1.285 228 W CB -0.090 29.491 29.460 0.202 0.000 1.133 228 W HN 0.117 nan 8.180 nan 0.000 0.521 229 L N 0.347 121.696 121.223 0.209 0.000 2.109 229 L HA -0.233 4.107 4.340 -0.000 0.000 0.207 229 L C 2.741 179.621 176.870 0.017 0.000 1.086 229 L CA 1.320 56.191 54.840 0.051 0.000 0.760 229 L CB -0.783 41.293 42.059 0.029 0.000 0.910 229 L HN -0.088 nan 8.230 nan 0.000 0.437 230 M N -0.614 118.991 119.600 0.009 0.000 2.099 230 M HA -0.164 4.316 4.480 -0.000 0.000 0.262 230 M C 2.546 178.746 176.300 -0.167 0.000 1.067 230 M CA 1.841 57.104 55.300 -0.062 0.000 1.124 230 M CB -0.521 32.022 32.600 -0.095 0.000 1.353 230 M HN 0.298 nan 8.290 nan 0.000 0.410 231 A N -0.516 122.128 122.820 -0.294 0.000 1.940 231 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 231 A C 1.790 179.067 177.584 -0.512 0.000 1.176 231 A CA 1.523 53.215 52.037 -0.575 0.000 0.631 231 A CB -1.257 17.109 19.000 -1.057 0.000 0.814 231 A HN 0.537 nan 8.150 nan 0.000 0.446 232 H N -0.653 118.181 119.070 -0.394 0.000 2.561 232 H HA -0.034 4.522 4.556 -0.000 0.000 0.278 232 H C 1.600 176.844 175.328 -0.141 0.000 1.014 232 H CA 1.216 57.082 56.048 -0.303 0.000 1.211 232 H CB 0.074 29.681 29.762 -0.259 0.000 1.365 232 H HN 0.699 nan 8.280 nan 0.000 0.594 233 Q N -0.177 119.609 119.800 -0.023 0.000 2.436 233 Q HA -0.066 4.274 4.340 -0.000 0.000 0.209 233 Q C 1.277 177.295 176.000 0.030 0.000 0.965 233 Q CA 0.718 56.571 55.803 0.082 0.000 0.910 233 Q CB 0.481 29.325 28.738 0.178 0.000 0.980 233 Q HN 0.366 nan 8.270 nan 0.000 0.491 234 Q N -1.340 118.396 119.800 -0.107 0.000 2.143 234 Q HA 0.157 4.497 4.340 -0.000 0.000 0.242 234 Q C 1.496 177.407 176.000 -0.148 0.000 0.790 234 Q CA 0.056 55.789 55.803 -0.116 0.000 0.954 234 Q CB 0.711 29.361 28.738 -0.147 0.000 1.155 234 Q HN 0.335 nan 8.270 nan 0.000 0.474 235 L N -0.462 120.610 121.223 -0.251 0.000 2.362 235 L HA -0.048 4.292 4.340 -0.000 0.000 0.219 235 L C 1.418 178.228 176.870 -0.099 0.000 1.134 235 L CA 1.558 56.222 54.840 -0.293 0.000 0.807 235 L CB 0.058 41.692 42.059 -0.708 0.000 0.927 235 L HN 0.421 nan 8.230 nan 0.000 0.447 236 G N -1.649 107.130 108.800 -0.034 0.000 4.018 236 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.195 236 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.195 236 G C -1.984 172.950 174.900 0.057 0.000 1.019 236 G CA -0.264 44.856 45.100 0.034 0.000 0.871 236 G HN 0.191 nan 8.290 nan 0.000 0.339 237 P HA 0.422 nan 4.420 nan 0.000 0.276 237 P C -0.219 177.130 177.300 0.083 0.000 1.252 237 P CA -0.445 62.711 63.100 0.092 0.000 0.802 237 P CB 1.043 32.820 31.700 0.128 0.000 1.035 238 R N 0.558 121.102 120.500 0.073 0.000 2.698 238 R HA -0.032 4.308 4.340 -0.000 0.000 0.266 238 R C 1.421 177.776 176.300 0.092 0.000 1.026 238 R CA -0.428 55.716 56.100 0.073 0.000 1.102 238 R CB 0.041 30.368 30.300 0.044 0.000 0.978 238 R HN 0.377 nan 8.270 nan 0.000 0.436 239 L N 5.075 126.374 121.223 0.128 0.000 2.013 239 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 239 L C 1.931 178.853 176.870 0.088 0.000 1.073 239 L CA 1.733 56.671 54.840 0.164 0.000 0.753 239 L CB -0.606 41.582 42.059 0.214 0.000 0.890 239 L HN 0.846 nan 8.230 nan 0.000 0.432 240 I N -0.498 119.984 120.570 -0.147 0.000 2.567 240 I HA -0.225 3.945 4.170 -0.000 0.000 0.257 240 I C 1.407 177.399 176.117 -0.208 0.000 1.184 240 I CA 1.431 62.431 61.300 -0.499 0.000 1.451 240 I CB -0.584 37.134 38.000 -0.470 0.000 1.089 240 I HN 0.351 nan 8.210 nan 0.000 0.441 241 D N -1.032 119.364 120.400 -0.007 0.000 2.369 241 D HA 0.047 4.687 4.640 -0.000 0.000 0.211 241 D C 2.297 178.687 176.300 0.151 0.000 1.077 241 D CA 0.900 54.945 54.000 0.075 0.000 0.842 241 D CB 0.147 40.984 40.800 0.062 0.000 0.947 241 D HN 0.436 nan 8.370 nan 0.000 0.509 242 S N 0.765 116.582 115.700 0.195 0.000 2.359 242 S HA -0.308 4.162 4.470 -0.000 0.000 0.224 242 S C 1.986 176.672 174.600 0.143 0.000 1.035 242 S CA 1.282 59.595 58.200 0.189 0.000 1.018 242 S CB -0.365 62.959 63.200 0.207 0.000 0.876 242 S HN 0.258 nan 8.310 nan 0.000 0.448 243 Q N 0.958 120.866 119.800 0.181 0.000 2.079 243 Q HA -0.057 4.283 4.340 -0.000 0.000 0.200 243 Q C 2.146 178.166 176.000 0.033 0.000 0.974 243 Q CA 1.688 57.540 55.803 0.081 0.000 0.840 243 Q CB -0.333 28.459 28.738 0.089 0.000 0.898 243 Q HN 0.627 nan 8.270 nan 0.000 0.430 244 S N 0.234 115.994 115.700 0.100 0.000 2.383 244 S HA -0.077 4.393 4.470 -0.000 0.000 0.227 244 S C 1.923 176.659 174.600 0.226 0.000 1.026 244 S CA 0.830 59.119 58.200 0.147 0.000 0.981 244 S CB -0.262 63.126 63.200 0.315 0.000 0.818 244 S HN 0.577 nan 8.310 nan 0.000 0.472 245 A N 1.553 124.471 122.820 0.163 0.000 1.930 245 A HA 0.147 4.467 4.320 -0.000 0.000 0.217 245 A C 2.315 179.897 177.584 -0.002 0.000 1.175 245 A CA 1.588 53.723 52.037 0.163 0.000 0.627 245 A CB -0.964 18.149 19.000 0.187 0.000 0.815 245 A HN 0.496 nan 8.150 nan 0.000 0.443 246 A N 0.050 122.706 122.820 -0.273 0.000 1.858 246 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 246 A C 2.159 179.854 177.584 0.185 0.000 1.190 246 A CA 1.512 53.182 52.037 -0.611 0.000 0.617 246 A CB -0.700 18.015 19.000 -0.475 0.000 0.827 246 A HN 0.467 nan 8.150 nan 0.000 0.443 247 L N -0.706 120.622 121.223 0.175 0.000 2.042 247 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 247 L C 2.406 179.659 176.870 0.638 0.000 1.076 247 L CA 1.930 56.978 54.840 0.347 0.000 0.749 247 L CB -0.725 41.203 42.059 -0.218 0.000 0.893 247 L HN 0.481 nan 8.230 nan 0.000 0.432 248 D N -0.705 120.054 120.400 0.598 0.000 2.117 248 D HA -0.240 4.400 4.640 -0.000 0.000 0.197 248 D C 2.314 178.920 176.300 0.510 0.000 0.987 248 D CA 1.346 55.737 54.000 0.652 0.000 0.829 248 D CB -0.047 41.069 40.800 0.527 0.000 0.961 248 D HN 0.349 nan 8.370 nan 0.000 0.460 249 C N 0.073 119.680 119.300 0.511 0.000 2.435 249 C HA -0.055 4.405 4.460 -0.000 0.000 0.279 249 C C 2.378 177.724 174.990 0.593 0.000 1.321 249 C CA 0.342 59.688 59.018 0.547 0.000 1.752 249 C CB -1.808 26.365 27.740 0.722 0.000 1.959 249 C HN 0.588 nan 8.230 nan 0.000 0.500 250 W N 0.746 122.358 121.300 0.521 0.000 2.379 250 W HA -0.071 4.589 4.660 -0.000 0.000 0.307 250 W C 2.037 178.672 176.519 0.193 0.000 1.200 250 W CA 1.795 59.321 57.345 0.301 0.000 1.297 250 W CB -0.498 29.155 29.460 0.323 0.000 1.140 250 W HN 0.165 nan 8.180 nan 0.000 0.507 251 V N 1.108 121.224 119.914 0.337 0.000 2.490 251 V HA -0.254 3.866 4.120 -0.000 0.000 0.250 251 V C 2.451 178.546 176.094 0.001 0.000 1.061 251 V CA 2.029 64.372 62.300 0.072 0.000 1.064 251 V CB -0.913 30.976 31.823 0.110 0.000 0.670 251 V HN 0.142 nan 8.190 nan 0.000 0.461 252 R N -0.242 120.306 120.500 0.079 0.000 2.153 252 R HA -0.144 4.196 4.340 -0.000 0.000 0.218 252 R C 2.290 178.522 176.300 -0.113 0.000 1.072 252 R CA 1.237 57.349 56.100 0.019 0.000 0.990 252 R CB 0.044 30.400 30.300 0.093 0.000 0.889 252 R HN 0.561 nan 8.270 nan 0.000 0.452 253 E N -0.614 119.454 120.200 -0.220 0.000 2.051 253 E HA -0.149 4.201 4.350 -0.000 0.000 0.189 253 E C 0.628 176.781 176.600 -0.745 0.000 0.979 253 E CA 1.429 57.528 56.400 -0.502 0.000 0.803 253 E CB -0.050 29.230 29.700 -0.699 0.000 0.761 253 E HN 0.347 nan 8.360 nan 0.000 0.451 254 Y N 0.526 120.563 120.300 -0.438 0.000 2.458 254 Y HA 0.338 4.888 4.550 -0.000 0.000 0.256 254 Y C -0.059 175.663 175.900 -0.296 0.000 1.159 254 Y CA -0.050 57.789 58.100 -0.434 0.000 1.261 254 Y CB 0.504 38.547 38.460 -0.694 0.000 1.119 254 Y HN -0.135 nan 8.280 nan 0.000 0.524 255 R N 0.558 120.974 120.500 -0.140 0.000 3.225 255 R HA -0.239 4.101 4.340 -0.000 0.000 0.245 255 R C 1.228 177.460 176.300 -0.112 0.000 0.928 255 R CA 0.926 56.962 56.100 -0.105 0.000 0.632 255 R CB -2.323 27.927 30.300 -0.082 0.000 1.038 255 R HN 0.766 nan 8.270 nan 0.000 0.461 256 G N -1.612 107.096 108.800 -0.152 0.000 2.254 256 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.225 256 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.225 256 G C 0.311 175.114 174.900 -0.161 0.000 1.003 256 G CA 0.091 45.091 45.100 -0.166 0.000 0.622 256 G HN 0.270 nan 8.290 nan 0.000 0.507 257 L N 1.265 122.386 121.223 -0.170 0.000 2.456 257 L HA 0.585 4.925 4.340 -0.000 0.000 0.257 257 L C 1.663 178.369 176.870 -0.274 0.000 1.162 257 L CA -0.512 54.183 54.840 -0.242 0.000 0.808 257 L CB 0.641 42.486 42.059 -0.356 0.000 1.136 257 L HN 0.302 nan 8.230 nan 0.000 0.466 258 L N 1.194 122.244 121.223 -0.288 0.000 3.678 258 L HA -0.208 4.132 4.340 -0.000 0.000 0.425 258 L C 0.791 177.769 176.870 0.179 0.000 1.240 258 L CA 0.354 55.115 54.840 -0.131 0.000 0.876 258 L CB -1.833 40.013 42.059 -0.355 0.000 1.766 258 L HN 0.944 nan 8.230 nan 0.000 0.917 259 G N 0.998 109.861 108.800 0.105 0.000 3.581 259 G HA2 0.459 4.419 3.960 -0.000 0.000 0.255 259 G HA3 0.459 4.419 3.960 -0.000 0.000 0.255 259 G C 0.295 175.473 174.900 0.463 0.000 1.121 259 G CA -0.187 45.039 45.100 0.210 0.000 1.739 259 G HN 0.255 nan 8.290 nan 0.000 0.646 260 I N 1.381 122.186 120.570 0.392 0.000 2.410 260 I HA 0.499 4.669 4.170 -0.000 0.000 0.286 260 I C 0.164 176.341 176.117 0.100 0.000 1.009 260 I CA -1.316 60.129 61.300 0.242 0.000 1.111 260 I CB 1.207 39.267 38.000 0.102 0.000 1.262 260 I HN 0.175 nan 8.210 nan 0.000 0.443 261 A N 7.343 130.125 122.820 -0.062 0.000 2.324 261 A HA 0.787 5.107 4.320 -0.000 0.000 0.330 261 A C -0.392 176.928 177.584 -0.440 0.000 1.165 261 A CA -0.564 51.256 52.037 -0.362 0.000 0.813 261 A CB 1.025 19.598 19.000 -0.711 0.000 1.197 261 A HN 0.688 nan 8.150 nan 0.000 0.484 262 L N 1.217 122.143 121.223 -0.496 0.000 2.395 262 L HA 0.360 4.700 4.340 -0.000 0.000 0.269 262 L C 1.596 177.965 176.870 -0.835 0.000 1.133 262 L CA 0.281 54.784 54.840 -0.562 0.000 0.812 262 L CB 1.569 43.258 42.059 -0.617 0.000 1.125 262 L HN 0.993 nan 8.230 nan 0.000 0.452 263 T N -4.251 109.832 114.554 -0.786 0.000 3.040 263 T HA 0.054 4.404 4.350 -0.000 0.000 0.266 263 T C 0.464 174.890 174.700 -0.456 0.000 1.005 263 T CA -0.031 61.394 62.100 -1.125 0.000 0.906 263 T CB -0.010 68.366 68.868 -0.820 0.000 1.082 263 T HN 0.656 nan 8.240 nan 0.000 0.531 264 D N 0.041 120.275 120.400 -0.275 0.000 2.559 264 D HA 0.196 4.836 4.640 -0.000 0.000 0.234 264 D C 1.456 177.736 176.300 -0.033 0.000 1.226 264 D CA -0.575 53.361 54.000 -0.107 0.000 0.830 264 D CB -0.669 40.084 40.800 -0.078 0.000 1.028 264 D HN 0.314 nan 8.370 nan 0.000 0.492 265 C N 0.005 119.271 119.300 -0.056 0.000 2.429 265 C HA -0.061 4.399 4.460 -0.000 0.000 0.277 265 C C 1.834 176.761 174.990 -0.104 0.000 1.262 265 C CA 0.549 59.572 59.018 0.008 0.000 1.733 265 C CB -0.650 27.071 27.740 -0.032 0.000 2.010 265 C HN 0.407 nan 8.230 nan 0.000 0.483 266 I N -0.053 120.404 120.570 -0.189 0.000 4.518 266 I HA 0.244 4.414 4.170 -0.000 0.000 0.231 266 I C 1.076 177.103 176.117 -0.151 0.000 1.003 266 I CA 1.709 62.841 61.300 -0.279 0.000 1.610 266 I CB -1.435 36.218 38.000 -0.577 0.000 1.481 266 I HN 0.406 nan 8.210 nan 0.000 0.462 267 T N -3.160 111.329 114.554 -0.108 0.000 2.889 267 T HA 0.314 4.664 4.350 -0.000 0.000 0.315 267 T C 0.421 175.131 174.700 0.016 0.000 1.291 267 T CA -0.404 61.675 62.100 -0.033 0.000 1.028 267 T CB 1.814 70.671 68.868 -0.018 0.000 1.235 267 T HN 0.105 nan 8.240 nan 0.000 0.491 268 T N 1.175 115.761 114.554 0.054 0.000 2.720 268 T HA -0.114 4.236 4.350 -0.000 0.000 0.268 268 T C 1.453 176.194 174.700 0.069 0.000 1.037 268 T CA 1.789 63.941 62.100 0.087 0.000 1.144 268 T CB -0.525 68.451 68.868 0.179 0.000 0.864 268 T HN 0.714 nan 8.240 nan 0.000 0.444 269 D N 1.345 121.770 120.400 0.042 0.000 2.123 269 D HA -0.081 4.559 4.640 -0.000 0.000 0.196 269 D C 2.379 178.696 176.300 0.028 0.000 0.992 269 D CA 1.372 55.383 54.000 0.017 0.000 0.833 269 D CB -0.368 40.443 40.800 0.018 0.000 0.954 269 D HN 0.432 nan 8.370 nan 0.000 0.455 270 A N 0.613 123.467 122.820 0.057 0.000 1.873 270 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 270 A C 2.122 179.767 177.584 0.101 0.000 1.186 270 A CA 0.981 53.079 52.037 0.102 0.000 0.616 270 A CB -1.035 18.040 19.000 0.124 0.000 0.823 270 A HN 0.228 nan 8.150 nan 0.000 0.442 271 F N 0.343 120.249 119.950 -0.074 0.000 2.065 271 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 271 F C 1.839 177.561 175.800 -0.130 0.000 1.112 271 F CA 1.732 59.661 58.000 -0.118 0.000 1.212 271 F CB -0.210 38.668 39.000 -0.203 0.000 0.975 271 F HN 0.144 nan 8.300 nan 0.000 0.476 272 L N 0.747 121.923 121.223 -0.078 0.000 2.083 272 L HA -0.152 4.188 4.340 -0.000 0.000 0.209 272 L C 2.457 179.151 176.870 -0.294 0.000 1.083 272 L CA 1.510 56.125 54.840 -0.375 0.000 0.752 272 L CB -1.309 40.483 42.059 -0.445 0.000 0.899 272 L HN 0.157 nan 8.230 nan 0.000 0.433 273 R N -0.386 120.048 120.500 -0.110 0.000 2.159 273 R HA -0.143 4.197 4.340 -0.000 0.000 0.237 273 R C 0.818 177.128 176.300 0.018 0.000 1.131 273 R CA 1.306 57.397 56.100 -0.015 0.000 0.982 273 R CB -0.171 30.134 30.300 0.008 0.000 0.868 273 R HN 0.425 nan 8.270 nan 0.000 0.453 274 D N -0.833 119.555 120.400 -0.020 0.000 2.398 274 D HA -0.014 4.626 4.640 -0.000 0.000 0.210 274 D C -0.346 176.026 176.300 0.121 0.000 1.094 274 D CA 0.056 54.082 54.000 0.043 0.000 0.839 274 D CB 0.142 40.969 40.800 0.046 0.000 0.963 274 D HN -0.008 nan 8.370 nan 0.000 0.506 275 F N 3.943 123.781 119.950 -0.186 0.000 2.661 275 F HA 0.093 4.620 4.527 -0.000 0.000 0.356 275 F C 0.605 176.561 175.800 0.260 0.000 1.244 275 F CA -1.454 56.497 58.000 -0.081 0.000 1.290 275 F CB -0.542 38.252 39.000 -0.343 0.000 1.677 275 F HN -0.170 nan 8.300 nan 0.000 0.649 276 D N 1.531 122.032 120.400 0.167 0.000 2.393 276 D HA -0.083 4.557 4.640 -0.000 0.000 0.246 276 D C 1.588 177.844 176.300 -0.073 0.000 1.275 276 D CA -0.427 53.603 54.000 0.050 0.000 0.979 276 D CB 0.394 41.207 40.800 0.021 0.000 1.101 276 D HN 0.351 nan 8.370 nan 0.000 0.505 277 L N 0.011 121.203 121.223 -0.052 0.000 2.043 277 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 277 L C 2.330 179.171 176.870 -0.048 0.000 1.075 277 L CA 1.668 56.474 54.840 -0.057 0.000 0.752 277 L CB -1.244 40.798 42.059 -0.029 0.000 0.891 277 L HN 0.610 nan 8.230 nan 0.000 0.432 278 Y N -0.801 119.389 120.300 -0.183 0.000 2.053 278 Y HA -0.350 4.200 4.550 -0.000 0.000 0.277 278 Y C 2.176 177.989 175.900 -0.145 0.000 1.159 278 Y CA 2.283 60.252 58.100 -0.219 0.000 1.125 278 Y CB -0.548 37.682 38.460 -0.384 0.000 0.969 278 Y HN 0.199 nan 8.280 nan 0.000 0.492 279 F N -0.065 119.902 119.950 0.028 0.000 2.206 279 F HA -0.033 4.494 4.527 -0.000 0.000 0.298 279 F C 2.607 178.242 175.800 -0.274 0.000 1.090 279 F CA 0.984 58.971 58.000 -0.021 0.000 1.323 279 F CB -1.380 37.632 39.000 0.021 0.000 1.028 279 F HN 0.176 nan 8.300 nan 0.000 0.492 280 A N -0.266 122.251 122.820 -0.505 0.000 1.972 280 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 280 A C 2.261 179.894 177.584 0.082 0.000 1.169 280 A CA 1.465 53.291 52.037 -0.351 0.000 0.635 280 A CB -0.536 18.330 19.000 -0.223 0.000 0.810 280 A HN 0.316 nan 8.150 nan 0.000 0.446 281 K N -0.571 119.825 120.400 -0.007 0.000 2.031 281 K HA 0.084 4.404 4.320 -0.000 0.000 0.205 281 K C 1.869 178.462 176.600 -0.012 0.000 1.049 281 K CA 1.078 57.358 56.287 -0.011 0.000 0.939 281 K CB -0.296 32.162 32.500 -0.070 0.000 0.717 281 K HN 0.431 nan 8.250 nan 0.000 0.438 282 L N 0.117 121.301 121.223 -0.066 0.000 2.017 282 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 282 L C 0.717 177.521 176.870 -0.109 0.000 1.073 282 L CA 0.752 55.505 54.840 -0.146 0.000 0.745 282 L CB -0.221 41.669 42.059 -0.281 0.000 0.894 282 L HN 0.014 nan 8.230 nan 0.000 0.432 283 F N 0.546 120.611 119.950 0.191 0.000 2.443 283 F HA -0.016 4.511 4.527 -0.000 0.000 0.353 283 F C 1.426 177.361 175.800 0.224 0.000 1.101 283 F CA -0.077 58.084 58.000 0.268 0.000 1.226 283 F CB 0.416 39.690 39.000 0.456 0.000 1.140 283 F HN -0.022 nan 8.300 nan 0.000 0.557 284 D N 1.405 121.991 120.400 0.310 0.000 2.323 284 D HA 0.187 4.826 4.640 -0.000 0.000 0.209 284 D C 1.018 177.454 176.300 0.228 0.000 0.973 284 D CA 0.756 54.874 54.000 0.197 0.000 0.874 284 D CB 0.404 41.274 40.800 0.117 0.000 0.930 284 D HN 0.670 nan 8.370 nan 0.000 0.521 285 G N -0.631 108.371 108.800 0.336 0.000 2.340 285 G HA2 0.481 4.440 3.960 -0.000 0.000 0.299 285 G HA3 0.481 4.440 3.960 -0.000 0.000 0.299 285 G C -1.943 173.096 174.900 0.231 0.000 1.291 285 G CA -0.842 44.427 45.100 0.282 0.000 0.841 285 G HN 0.036 nan 8.290 nan 0.000 0.500 286 L N -0.538 120.770 121.223 0.143 0.000 2.350 286 L HA 0.783 5.123 4.340 -0.000 0.000 0.260 286 L C -0.051 176.873 176.870 0.091 0.000 1.015 286 L CA -1.021 53.847 54.840 0.046 0.000 0.821 286 L CB 2.639 44.689 42.059 -0.015 0.000 1.370 286 L HN 0.664 nan 8.230 nan 0.000 0.416 287 R N 0.587 121.057 120.500 -0.049 0.000 2.445 287 R HA 0.352 4.692 4.340 -0.000 0.000 0.308 287 R C -0.929 175.082 176.300 -0.481 0.000 0.961 287 R CA -0.528 55.446 56.100 -0.210 0.000 0.862 287 R CB 1.077 31.248 30.300 -0.214 0.000 1.144 287 R HN 0.656 nan 8.270 nan 0.000 0.447 288 H N 2.926 121.378 119.070 -1.030 0.000 2.517 288 H HA 0.141 4.697 4.556 -0.000 0.000 0.317 288 H C -0.933 174.004 175.328 -0.651 0.000 1.080 288 H CA 0.023 55.183 56.048 -1.481 0.000 1.301 288 H CB 1.711 30.333 29.762 -1.900 0.000 1.425 288 H HN 0.810 nan 8.280 nan 0.000 0.471 289 D N 2.688 122.489 120.400 -0.999 0.000 2.525 289 D HA 0.065 4.705 4.640 -0.000 0.000 0.231 289 D C -0.788 175.173 176.300 -0.564 0.000 1.216 289 D CA 0.071 53.713 54.000 -0.597 0.000 0.813 289 D CB 0.678 41.357 40.800 -0.203 0.000 1.108 289 D HN 0.556 nan 8.370 nan 0.000 0.524 290 S N -1.530 113.708 115.700 -0.770 0.000 2.567 290 S HA 0.680 5.150 4.470 -0.000 0.000 0.270 290 S C 0.215 174.726 174.600 -0.148 0.000 1.152 290 S CA -0.291 57.695 58.200 -0.355 0.000 0.835 290 S CB 1.345 64.431 63.200 -0.189 0.000 1.115 290 S HN 0.549 nan 8.310 nan 0.000 0.459 291 G N 1.220 110.036 108.800 0.025 0.000 2.828 291 G HA2 0.028 3.988 3.960 -0.000 0.000 0.463 291 G HA3 0.028 3.988 3.960 -0.000 0.000 0.463 291 G C -0.662 174.407 174.900 0.281 0.000 1.394 291 G CA -0.010 45.179 45.100 0.147 0.000 0.862 291 G HN 1.384 nan 8.290 nan 0.000 0.540 292 D N 1.005 121.527 120.400 0.204 0.000 2.450 292 D HA 0.346 4.986 4.640 -0.000 0.000 0.247 292 D C 0.266 176.648 176.300 0.137 0.000 1.162 292 D CA -0.457 53.640 54.000 0.162 0.000 0.879 292 D CB 1.004 41.874 40.800 0.116 0.000 1.163 292 D HN 0.164 nan 8.370 nan 0.000 0.472 293 P HA -0.148 nan 4.420 nan 0.000 0.218 293 P C 1.430 178.802 177.300 0.119 0.000 1.149 293 P CA 0.997 63.921 63.100 -0.294 0.000 0.817 293 P CB 0.234 31.818 31.700 -0.193 0.000 0.785 294 L N -1.612 119.666 121.223 0.093 0.000 2.131 294 L HA -0.072 4.268 4.340 -0.000 0.000 0.206 294 L C 2.578 179.532 176.870 0.140 0.000 1.087 294 L CA 0.600 55.511 54.840 0.118 0.000 0.767 294 L CB -0.928 41.166 42.059 0.059 0.000 0.917 294 L HN -0.080 nan 8.230 nan 0.000 0.441 295 L N -0.960 120.346 121.223 0.139 0.000 2.093 295 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 295 L C 2.204 179.175 176.870 0.167 0.000 1.085 295 L CA 1.708 56.624 54.840 0.127 0.000 0.755 295 L CB -0.887 41.243 42.059 0.118 0.000 0.904 295 L HN 0.355 nan 8.230 nan 0.000 0.435 296 W N 0.238 121.554 121.300 0.026 0.000 2.379 296 W HA -0.182 4.478 4.660 -0.000 0.000 0.307 296 W C 2.442 178.979 176.519 0.030 0.000 1.200 296 W CA 2.147 59.508 57.345 0.028 0.000 1.297 296 W CB -0.303 29.182 29.460 0.041 0.000 1.140 296 W HN 0.131 nan 8.180 nan 0.000 0.507 297 A N 0.526 123.479 122.820 0.221 0.000 1.908 297 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 297 A C 1.887 179.415 177.584 -0.093 0.000 1.181 297 A CA 2.068 54.115 52.037 0.016 0.000 0.627 297 A CB -0.925 18.281 19.000 0.342 0.000 0.818 297 A HN 0.349 nan 8.150 nan 0.000 0.445 298 E N 0.248 120.444 120.200 -0.006 0.000 2.085 298 E HA -0.190 4.160 4.350 -0.000 0.000 0.194 298 E C 1.965 178.529 176.600 -0.060 0.000 0.994 298 E CA 1.438 57.832 56.400 -0.010 0.000 0.801 298 E CB -0.363 29.351 29.700 0.022 0.000 0.743 298 E HN 0.692 nan 8.360 nan 0.000 0.453 299 K N 0.075 120.406 120.400 -0.115 0.000 2.032 299 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 299 K C 2.379 178.859 176.600 -0.199 0.000 1.048 299 K CA 1.997 58.199 56.287 -0.141 0.000 0.927 299 K CB -0.413 31.983 32.500 -0.174 0.000 0.712 299 K HN 0.275 nan 8.250 nan 0.000 0.441 300 T N -0.198 114.123 114.554 -0.389 0.000 2.821 300 T HA -0.093 4.256 4.350 -0.000 0.000 0.267 300 T C 1.979 176.593 174.700 -0.144 0.000 1.046 300 T CA 0.988 62.843 62.100 -0.408 0.000 1.139 300 T CB -0.357 68.099 68.868 -0.687 0.000 0.871 300 T HN 0.100 nan 8.240 nan 0.000 0.454 301 I N 1.714 122.268 120.570 -0.027 0.000 2.252 301 I HA -0.032 4.138 4.170 -0.000 0.000 0.245 301 I C 3.212 179.395 176.117 0.109 0.000 1.102 301 I CA 1.116 62.490 61.300 0.123 0.000 1.385 301 I CB -0.556 37.493 38.000 0.082 0.000 1.064 301 I HN 0.365 nan 8.210 nan 0.000 0.414 302 A N -0.140 122.711 122.820 0.051 0.000 1.969 302 A HA -0.288 4.032 4.320 -0.000 0.000 0.218 302 A C 2.143 179.770 177.584 0.072 0.000 1.169 302 A CA 1.896 53.965 52.037 0.054 0.000 0.635 302 A CB -0.869 18.152 19.000 0.036 0.000 0.810 302 A HN 0.502 nan 8.150 nan 0.000 0.445 303 H N -2.056 116.984 119.070 -0.050 0.000 2.363 303 H HA -0.106 4.450 4.556 -0.000 0.000 0.301 303 H C 1.682 177.004 175.328 -0.010 0.000 1.074 303 H CA 1.895 57.905 56.048 -0.062 0.000 1.354 303 H CB -0.273 29.407 29.762 -0.137 0.000 1.397 303 H HN 0.490 nan 8.280 nan 0.000 0.516 304 Y N 0.231 120.565 120.300 0.056 0.000 2.224 304 Y HA -0.167 4.383 4.550 -0.000 0.000 0.289 304 Y C 2.519 178.393 175.900 -0.044 0.000 1.146 304 Y CA 1.218 59.321 58.100 0.006 0.000 1.182 304 Y CB -0.530 37.968 38.460 0.064 0.000 0.983 304 Y HN 0.209 nan 8.280 nan 0.000 0.524 305 L N 0.334 121.638 121.223 0.134 0.000 2.017 305 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 305 L C 2.497 179.373 176.870 0.010 0.000 1.073 305 L CA 1.970 56.849 54.840 0.064 0.000 0.745 305 L CB -0.669 41.424 42.059 0.056 0.000 0.894 305 L HN 0.235 nan 8.230 nan 0.000 0.432 306 K N 0.591 120.975 120.400 -0.027 0.000 2.280 306 K HA -0.156 4.163 4.320 -0.000 0.000 0.202 306 K C 1.711 178.260 176.600 -0.084 0.000 1.047 306 K CA 1.382 57.638 56.287 -0.052 0.000 0.942 306 K CB -0.224 32.244 32.500 -0.054 0.000 0.739 306 K HN 0.352 nan 8.250 nan 0.000 0.457 307 L N 0.525 121.674 121.223 -0.123 0.000 2.591 307 L HA 0.168 4.508 4.340 -0.000 0.000 0.228 307 L C 0.890 177.742 176.870 -0.031 0.000 1.133 307 L CA 0.450 55.227 54.840 -0.105 0.000 0.880 307 L CB -0.055 41.912 42.059 -0.153 0.000 1.033 307 L HN 0.643 nan 8.230 nan 0.000 0.450 308 G N 1.169 109.964 108.800 -0.008 0.000 2.147 308 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.244 308 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.244 308 G C 0.115 175.024 174.900 0.016 0.000 1.005 308 G CA -0.119 44.983 45.100 0.004 0.000 0.713 308 G HN 0.301 nan 8.290 nan 0.000 0.515 309 I N 0.693 121.291 120.570 0.047 0.000 2.359 309 I HA 0.240 4.410 4.170 -0.000 0.000 0.294 309 I C -0.071 176.049 176.117 0.005 0.000 0.987 309 I CA -0.831 60.491 61.300 0.036 0.000 1.225 309 I CB 1.393 39.455 38.000 0.103 0.000 1.366 309 I HN 0.005 nan 8.210 nan 0.000 0.466 310 D N 8.836 129.214 120.400 -0.038 0.000 2.346 310 D HA 0.110 4.749 4.640 -0.000 0.000 0.260 310 D C -1.694 174.539 176.300 -0.112 0.000 1.252 310 D CA -1.937 52.036 54.000 -0.045 0.000 0.895 310 D CB 1.530 42.308 40.800 -0.036 0.000 1.097 310 D HN 0.199 nan 8.370 nan 0.000 0.489 311 P HA -0.118 nan 4.420 nan 0.000 0.217 311 P C 1.515 178.747 177.300 -0.115 0.000 1.148 311 P CA 0.796 63.816 63.100 -0.134 0.000 0.828 311 P CB 0.201 31.911 31.700 0.018 0.000 0.783 312 L N -1.205 119.983 121.223 -0.058 0.000 2.549 312 L HA -0.068 4.272 4.340 -0.000 0.000 0.229 312 L C 1.757 178.602 176.870 -0.043 0.000 1.158 312 L CA 1.534 56.356 54.840 -0.031 0.000 0.842 312 L CB -1.030 41.023 42.059 -0.009 0.000 0.952 312 L HN 0.173 nan 8.230 nan 0.000 0.452 313 T N -4.988 109.515 114.554 -0.086 0.000 3.069 313 T HA 0.150 4.500 4.350 -0.000 0.000 0.252 313 T C 0.727 175.368 174.700 -0.098 0.000 1.053 313 T CA -0.313 61.742 62.100 -0.075 0.000 0.964 313 T CB 0.332 69.155 68.868 -0.075 0.000 1.005 313 T HN -0.114 nan 8.240 nan 0.000 0.532 314 K N 1.400 121.708 120.400 -0.154 0.000 2.295 314 K HA 0.686 5.006 4.320 -0.000 0.000 0.239 314 K C -0.672 175.910 176.600 -0.029 0.000 0.991 314 K CA -0.545 55.656 56.287 -0.143 0.000 0.845 314 K CB 1.847 34.079 32.500 -0.448 0.000 1.197 314 K HN 0.060 nan 8.250 nan 0.000 0.441 315 T N 1.036 115.615 114.554 0.041 0.000 2.876 315 T HA 0.562 4.912 4.350 -0.000 0.000 0.289 315 T C -0.300 174.449 174.700 0.082 0.000 1.014 315 T CA -0.710 61.429 62.100 0.065 0.000 0.986 315 T CB 1.172 70.076 68.868 0.061 0.000 1.021 315 T HN 0.215 nan 8.240 nan 0.000 0.458 316 L N 2.491 123.749 121.223 0.058 0.000 2.313 316 L HA 0.657 4.997 4.340 -0.000 0.000 0.283 316 L C -0.748 176.010 176.870 -0.187 0.000 1.013 316 L CA -1.139 53.692 54.840 -0.015 0.000 0.816 316 L CB 1.822 43.890 42.059 0.015 0.000 1.236 316 L HN 0.342 nan 8.230 nan 0.000 0.419 317 V N 3.602 123.367 119.914 -0.248 0.000 2.357 317 V HA 0.389 4.509 4.120 -0.000 0.000 0.284 317 V C -0.469 175.390 176.094 -0.393 0.000 1.018 317 V CA -0.358 61.804 62.300 -0.229 0.000 0.841 317 V CB 1.272 33.063 31.823 -0.053 0.000 0.991 317 V HN 0.368 nan 8.190 nan 0.000 0.437 318 F N 3.197 123.088 119.950 -0.098 0.000 2.415 318 F HA 0.537 5.064 4.527 -0.000 0.000 0.348 318 F C 0.864 176.723 175.800 0.099 0.000 1.119 318 F CA -0.278 57.738 58.000 0.027 0.000 1.069 318 F CB 2.072 41.151 39.000 0.133 0.000 1.124 318 F HN 0.520 nan 8.300 nan 0.000 0.472 319 S N -0.223 115.612 115.700 0.225 0.000 3.022 319 S HA 0.103 4.573 4.470 -0.000 0.000 0.247 319 S C -0.981 173.691 174.600 0.119 0.000 0.845 319 S CA -0.738 57.580 58.200 0.197 0.000 1.104 319 S CB -0.361 63.036 63.200 0.328 0.000 1.228 319 S HN 0.509 nan 8.310 nan 0.000 0.532 320 D N 2.207 122.666 120.400 0.098 0.000 2.499 320 D HA 0.497 5.137 4.640 -0.000 0.000 0.225 320 D C 1.169 177.512 176.300 0.073 0.000 1.124 320 D CA 0.794 54.805 54.000 0.019 0.000 0.938 320 D CB 0.177 40.905 40.800 -0.121 0.000 1.014 320 D HN 0.634 nan 8.370 nan 0.000 0.517 321 G N 3.435 112.282 108.800 0.079 0.000 2.356 321 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.296 321 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.296 321 G C 0.222 175.216 174.900 0.156 0.000 1.022 321 G CA 0.412 45.587 45.100 0.125 0.000 0.961 321 G HN 0.509 nan 8.290 nan 0.000 0.510 322 L N 0.099 121.380 121.223 0.096 0.000 2.421 322 L HA 0.657 4.997 4.340 -0.000 0.000 0.263 322 L C 0.529 177.305 176.870 -0.157 0.000 1.122 322 L CA -0.682 54.150 54.840 -0.013 0.000 0.804 322 L CB 0.839 42.911 42.059 0.022 0.000 1.150 322 L HN 0.476 nan 8.230 nan 0.000 0.457 323 D N 0.035 120.254 120.400 -0.301 0.000 2.566 323 D HA 0.223 4.863 4.640 -0.000 0.000 0.254 323 D C 0.597 176.763 176.300 -0.223 0.000 1.090 323 D CA -0.744 53.021 54.000 -0.392 0.000 1.034 323 D CB 0.979 41.400 40.800 -0.632 0.000 1.434 323 D HN 0.069 nan 8.370 nan 0.000 0.509 324 L N -0.353 120.792 121.223 -0.129 0.000 2.012 324 L HA -0.041 4.299 4.340 -0.000 0.000 0.210 324 L C -0.620 176.233 176.870 -0.028 0.000 1.073 324 L CA 1.955 56.831 54.840 0.060 0.000 0.748 324 L CB -2.682 39.529 42.059 0.254 0.000 0.891 324 L HN 0.424 nan 8.230 nan 0.000 0.431 325 P HA -0.136 nan 4.420 nan 0.000 0.215 325 P C 1.807 179.051 177.300 -0.094 0.000 1.153 325 P CA 1.399 64.344 63.100 -0.259 0.000 0.853 325 P CB -0.041 31.358 31.700 -0.501 0.000 0.788 326 R N -0.687 119.733 120.500 -0.135 0.000 2.090 326 R HA 0.021 4.361 4.340 -0.000 0.000 0.228 326 R C 2.271 178.523 176.300 -0.081 0.000 1.110 326 R CA 1.371 57.417 56.100 -0.089 0.000 0.973 326 R CB -0.986 29.259 30.300 -0.093 0.000 0.869 326 R HN 0.140 nan 8.270 nan 0.000 0.440 327 A N 1.372 124.130 122.820 -0.104 0.000 1.902 327 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 327 A C 2.074 179.478 177.584 -0.300 0.000 1.181 327 A CA 1.029 52.905 52.037 -0.268 0.000 0.623 327 A CB -0.436 18.408 19.000 -0.260 0.000 0.818 327 A HN 0.206 nan 8.150 nan 0.000 0.443 328 L N -0.157 120.974 121.223 -0.152 0.000 2.083 328 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 328 L C 2.198 179.026 176.870 -0.069 0.000 1.083 328 L CA 2.062 56.735 54.840 -0.278 0.000 0.752 328 L CB -0.510 41.402 42.059 -0.245 0.000 0.899 328 L HN 0.341 nan 8.230 nan 0.000 0.433 329 K N -0.492 119.889 120.400 -0.033 0.000 2.032 329 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 329 K C 2.075 178.678 176.600 0.004 0.000 1.048 329 K CA 2.004 58.287 56.287 -0.006 0.000 0.927 329 K CB -0.340 32.153 32.500 -0.012 0.000 0.712 329 K HN 0.346 nan 8.250 nan 0.000 0.441 330 I N 0.094 120.657 120.570 -0.011 0.000 2.163 330 I HA -0.325 3.844 4.170 -0.000 0.000 0.243 330 I C 2.419 178.621 176.117 0.142 0.000 1.085 330 I CA 1.342 62.629 61.300 -0.023 0.000 1.347 330 I CB -0.399 37.505 38.000 -0.161 0.000 1.044 330 I HN 0.174 nan 8.210 nan 0.000 0.408 331 Y N 2.011 122.430 120.300 0.197 0.000 2.128 331 Y HA -0.277 4.273 4.550 -0.000 0.000 0.284 331 Y C 2.721 178.710 175.900 0.147 0.000 1.154 331 Y CA 1.647 59.953 58.100 0.343 0.000 1.149 331 Y CB -0.327 38.329 38.460 0.328 0.000 0.976 331 Y HN -0.044 nan 8.280 nan 0.000 0.505 332 R N -0.183 120.330 120.500 0.021 0.000 2.096 332 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 332 R C 2.490 178.731 176.300 -0.098 0.000 1.127 332 R CA 1.174 57.223 56.100 -0.085 0.000 0.968 332 R CB -0.556 29.745 30.300 0.001 0.000 0.861 332 R HN 0.466 nan 8.270 nan 0.000 0.440 333 A N 0.478 123.271 122.820 -0.045 0.000 1.968 333 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 333 A C 1.899 179.466 177.584 -0.029 0.000 1.169 333 A CA 1.013 53.033 52.037 -0.029 0.000 0.638 333 A CB -0.089 18.907 19.000 -0.007 0.000 0.812 333 A HN 0.192 nan 8.150 nan 0.000 0.446 334 L N -0.434 120.769 121.223 -0.033 0.000 2.609 334 L HA 0.089 4.429 4.340 -0.000 0.000 0.230 334 L C 0.474 177.312 176.870 -0.054 0.000 1.087 334 L CA -0.295 54.546 54.840 0.002 0.000 0.874 334 L CB -0.329 41.792 42.059 0.103 0.000 1.114 334 L HN 0.458 nan 8.230 nan 0.000 0.488 335 Q N 1.279 120.946 119.800 -0.220 0.000 2.286 335 Q HA 0.342 4.682 4.340 -0.000 0.000 0.290 335 Q C 0.958 176.889 176.000 -0.115 0.000 1.049 335 Q CA 0.935 56.578 55.803 -0.267 0.000 0.923 335 Q CB 0.341 28.659 28.738 -0.700 0.000 1.183 335 Q HN 0.312 nan 8.270 nan 0.000 0.383 336 G N 2.677 111.453 108.800 -0.040 0.000 2.254 336 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.225 336 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.225 336 G C 1.031 175.934 174.900 0.004 0.000 1.003 336 G CA 0.214 45.307 45.100 -0.012 0.000 0.622 336 G HN 0.566 nan 8.290 nan 0.000 0.507 337 R N -0.494 120.012 120.500 0.010 0.000 2.146 337 R HA 0.650 4.990 4.340 -0.000 0.000 0.206 337 R C 0.960 177.283 176.300 0.038 0.000 1.049 337 R CA 1.075 57.191 56.100 0.025 0.000 1.029 337 R CB 0.832 31.151 30.300 0.032 0.000 0.949 337 R HN 0.508 nan 8.270 nan 0.000 0.471 338 I N 0.314 120.915 120.570 0.052 0.000 2.908 338 I HA 0.183 4.353 4.170 -0.000 0.000 0.300 338 I C -1.694 174.474 176.117 0.084 0.000 1.385 338 I CA -0.966 60.371 61.300 0.060 0.000 1.004 338 I CB 2.483 40.535 38.000 0.087 0.000 1.309 338 I HN -0.010 nan 8.210 nan 0.000 0.449 339 N N 4.237 122.982 118.700 0.074 0.000 2.518 339 N HA 0.501 5.241 4.740 -0.000 0.000 0.266 339 N C -1.081 174.506 175.510 0.129 0.000 1.196 339 N CA -0.161 52.950 53.050 0.101 0.000 0.947 339 N CB 1.340 39.872 38.487 0.075 0.000 1.098 339 N HN 0.399 nan 8.380 nan 0.000 0.450 340 V N -1.493 118.520 119.914 0.165 0.000 3.049 340 V HA 0.924 5.043 4.120 -0.000 0.000 0.309 340 V C -0.470 175.627 176.094 0.005 0.000 1.148 340 V CA -0.895 61.478 62.300 0.122 0.000 0.990 340 V CB 1.707 33.672 31.823 0.236 0.000 1.039 340 V HN 0.782 nan 8.190 nan 0.000 0.430 341 S N 1.898 117.443 115.700 -0.258 0.000 2.607 341 S HA 0.937 5.407 4.470 -0.000 0.000 0.273 341 S C -1.352 172.898 174.600 -0.584 0.000 1.148 341 S CA -0.679 57.370 58.200 -0.251 0.000 0.833 341 S CB 1.937 65.106 63.200 -0.051 0.000 1.130 341 S HN 0.959 nan 8.310 nan 0.000 0.470 342 F N -0.435 119.512 119.950 -0.004 0.000 2.620 342 F HA 0.865 5.392 4.527 -0.000 0.000 0.320 342 F C 0.633 176.270 175.800 -0.271 0.000 1.069 342 F CA -0.540 57.436 58.000 -0.041 0.000 0.953 342 F CB 2.360 41.314 39.000 -0.077 0.000 1.322 342 F HN 1.034 nan 8.300 nan 0.000 0.479 343 G N 1.398 110.099 108.800 -0.164 0.000 2.707 343 G HA2 0.706 4.666 3.960 -0.000 0.000 0.299 343 G HA3 0.706 4.666 3.960 -0.000 0.000 0.299 343 G C -1.713 172.960 174.900 -0.378 0.000 1.442 343 G CA -0.505 44.136 45.100 -0.764 0.000 1.009 343 G HN 0.551 nan 8.290 nan 0.000 0.515 344 I N 2.084 122.425 120.570 -0.381 0.000 2.433 344 I HA 0.524 4.694 4.170 -0.000 0.000 0.292 344 I C 1.057 177.088 176.117 -0.144 0.000 1.001 344 I CA -0.592 60.492 61.300 -0.361 0.000 1.119 344 I CB 2.411 39.807 38.000 -1.006 0.000 1.289 344 I HN 0.620 nan 8.210 nan 0.000 0.438 345 G N 1.813 110.592 108.800 -0.035 0.000 2.754 345 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.210 345 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.210 345 G C 1.075 175.985 174.900 0.017 0.000 2.092 345 G CA 0.666 45.803 45.100 0.061 0.000 0.766 345 G HN 0.475 nan 8.290 nan 0.000 0.745 346 T N -0.025 114.506 114.554 -0.038 0.000 2.778 346 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 346 T C 2.000 176.617 174.700 -0.138 0.000 1.050 346 T CA 1.805 63.844 62.100 -0.101 0.000 1.137 346 T CB -0.487 68.278 68.868 -0.171 0.000 0.860 346 T HN 0.340 nan 8.240 nan 0.000 0.468 347 H N -1.001 118.038 119.070 -0.050 0.000 2.545 347 H HA 0.067 4.623 4.556 -0.000 0.000 0.282 347 H C 1.751 177.106 175.328 0.044 0.000 1.020 347 H CA 0.783 56.793 56.048 -0.063 0.000 1.243 347 H CB -0.156 29.514 29.762 -0.153 0.000 1.377 347 H HN 0.525 nan 8.280 nan 0.000 0.581 348 F N 0.170 120.146 119.950 0.044 0.000 2.298 348 F HA -0.093 4.434 4.527 -0.000 0.000 0.282 348 F C 2.612 178.384 175.800 -0.046 0.000 1.045 348 F CA 0.876 58.876 58.000 0.000 0.000 1.280 348 F CB 0.216 39.218 39.000 0.003 0.000 1.114 348 F HN 0.073 nan 8.300 nan 0.000 0.546 349 T N -3.360 111.286 114.554 0.154 0.000 3.160 349 T HA -0.079 4.271 4.350 -0.000 0.000 0.257 349 T C 0.465 175.188 174.700 0.038 0.000 1.147 349 T CA 0.262 62.372 62.100 0.016 0.000 1.064 349 T CB -0.652 68.115 68.868 -0.168 0.000 0.949 349 T HN 0.247 nan 8.240 nan 0.000 0.526 350 C N 2.293 121.614 119.300 0.035 0.000 3.482 350 C HA 0.465 4.925 4.460 -0.000 0.000 0.208 350 C C -1.181 173.795 174.990 -0.023 0.000 1.306 350 C CA -0.814 58.236 59.018 0.054 0.000 1.254 350 C CB -0.866 26.927 27.740 0.089 0.000 1.832 350 C HN 0.463 nan 8.230 nan 0.000 0.554 351 D N 3.044 123.402 120.400 -0.070 0.000 2.400 351 D HA 0.398 5.038 4.640 -0.000 0.000 0.272 351 D C -0.703 175.487 176.300 -0.184 0.000 1.220 351 D CA -0.025 53.923 54.000 -0.087 0.000 0.897 351 D CB 0.402 41.195 40.800 -0.012 0.000 1.134 351 D HN 0.365 nan 8.370 nan 0.000 0.507 352 L N 3.586 124.646 121.223 -0.273 0.000 2.346 352 L HA 0.528 4.868 4.340 -0.000 0.000 0.276 352 L C -2.098 174.601 176.870 -0.284 0.000 1.006 352 L CA -1.833 52.782 54.840 -0.376 0.000 0.817 352 L CB 2.005 43.651 42.059 -0.688 0.000 1.272 352 L HN 0.192 nan 8.230 nan 0.000 0.421 353 P HA 0.060 nan 4.420 nan 0.000 0.264 353 P C 0.723 177.919 177.300 -0.173 0.000 1.193 353 P CA 0.613 63.617 63.100 -0.160 0.000 0.763 353 P CB 0.873 32.498 31.700 -0.126 0.000 0.810 354 G N 1.655 110.383 108.800 -0.120 0.000 2.162 354 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.260 354 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.260 354 G C -0.056 174.749 174.900 -0.158 0.000 0.976 354 G CA 0.002 45.051 45.100 -0.085 0.000 0.655 354 G HN 0.565 nan 8.290 nan 0.000 0.533 355 V N 0.517 120.260 119.914 -0.285 0.000 2.398 355 V HA 0.562 4.682 4.120 -0.000 0.000 0.286 355 V C 0.249 176.289 176.094 -0.090 0.000 1.026 355 V CA -0.605 61.444 62.300 -0.417 0.000 0.868 355 V CB 1.852 33.309 31.823 -0.610 0.000 0.982 355 V HN 0.373 nan 8.190 nan 0.000 0.443 356 E N 6.180 126.430 120.200 0.084 0.000 2.092 356 E HA 0.423 4.773 4.350 -0.000 0.000 0.271 356 E C -2.503 174.176 176.600 0.132 0.000 0.919 356 E CA -1.906 54.556 56.400 0.103 0.000 0.760 356 E CB 1.492 31.272 29.700 0.133 0.000 1.106 356 E HN 0.482 nan 8.360 nan 0.000 0.408 357 P HA -0.069 nan 4.420 nan 0.000 0.266 357 P C -0.304 177.043 177.300 0.077 0.000 1.193 357 P CA 0.497 63.641 63.100 0.073 0.000 0.770 357 P CB 0.479 32.177 31.700 -0.004 0.000 0.836 358 M N 2.058 121.707 119.600 0.082 0.000 2.240 358 M HA 0.039 4.519 4.480 -0.000 0.000 0.333 358 M C 0.720 177.051 176.300 0.051 0.000 1.110 358 M CA 0.689 56.035 55.300 0.077 0.000 1.173 358 M CB 0.141 32.789 32.600 0.080 0.000 1.458 358 M HN 0.353 nan 8.290 nan 0.000 0.458 359 N N 3.669 122.398 118.700 0.047 0.000 2.898 359 N HA 0.471 5.210 4.740 -0.000 0.000 0.245 359 N C -1.467 174.036 175.510 -0.011 0.000 1.185 359 N CA -0.318 52.741 53.050 0.016 0.000 0.879 359 N CB 0.516 39.012 38.487 0.015 0.000 1.157 359 N HN 0.546 nan 8.380 nan 0.000 0.503 360 I N -0.579 119.977 120.570 -0.023 0.000 2.934 360 I HA 0.803 4.973 4.170 -0.000 0.000 0.306 360 I C -1.147 174.896 176.117 -0.123 0.000 1.110 360 I CA -0.994 60.226 61.300 -0.133 0.000 1.019 360 I CB 1.977 39.980 38.000 0.005 0.000 1.227 360 I HN 0.023 nan 8.210 nan 0.000 0.434 361 V N 3.283 123.044 119.914 -0.254 0.000 3.258 361 V HA 0.580 4.700 4.120 -0.000 0.000 0.299 361 V C -1.721 174.336 176.094 -0.063 0.000 1.376 361 V CA -0.425 61.823 62.300 -0.087 0.000 1.063 361 V CB 2.661 34.453 31.823 -0.051 0.000 1.103 361 V HN 0.623 nan 8.190 nan 0.000 0.451 362 V N 4.515 124.501 119.914 0.120 0.000 2.385 362 V HA 0.432 4.552 4.120 -0.000 0.000 0.277 362 V C -0.293 176.069 176.094 0.448 0.000 1.012 362 V CA -0.667 61.792 62.300 0.266 0.000 0.832 362 V CB 1.438 33.400 31.823 0.232 0.000 1.028 362 V HN 0.905 nan 8.190 nan 0.000 0.436 363 K N 4.297 124.909 120.400 0.354 0.000 2.156 363 K HA 0.707 5.027 4.320 -0.000 0.000 0.271 363 K C -0.164 176.472 176.600 0.060 0.000 0.995 363 K CA -0.754 55.684 56.287 0.252 0.000 0.890 363 K CB 2.238 34.772 32.500 0.055 0.000 1.073 363 K HN 0.570 nan 8.250 nan 0.000 0.454 364 M N 3.532 122.824 119.600 -0.513 0.000 2.217 364 M HA -0.036 4.444 4.480 -0.000 0.000 0.352 364 M C 0.240 176.202 176.300 -0.564 0.000 1.376 364 M CA 0.361 54.939 55.300 -1.203 0.000 1.107 364 M CB 0.806 32.549 32.600 -1.430 0.000 1.723 364 M HN 1.006 nan 8.290 nan 0.000 0.461 365 S N 3.316 118.731 115.700 -0.475 0.000 2.514 365 S HA 0.554 5.024 4.470 -0.000 0.000 0.223 365 S C 0.369 174.778 174.600 -0.318 0.000 1.046 365 S CA 0.057 58.083 58.200 -0.291 0.000 0.914 365 S CB 0.353 63.449 63.200 -0.174 0.000 0.807 365 S HN 0.840 nan 8.310 nan 0.000 0.497 366 A N -0.226 122.361 122.820 -0.388 0.000 2.609 366 A HA 0.734 5.054 4.320 -0.000 0.000 0.291 366 A C -1.447 175.893 177.584 -0.407 0.000 1.096 366 A CA -0.588 51.233 52.037 -0.360 0.000 0.684 366 A CB 1.348 20.179 19.000 -0.281 0.000 1.282 366 A HN 0.703 nan 8.150 nan 0.000 0.412 367 C N 1.296 120.380 119.300 -0.360 0.000 2.516 367 C HA 0.670 5.130 4.460 -0.000 0.000 0.338 367 C C -0.240 174.604 174.990 -0.243 0.000 1.132 367 C CA -0.287 58.508 59.018 -0.372 0.000 1.310 367 C CB 0.069 27.527 27.740 -0.470 0.000 1.898 367 C HN 1.057 nan 8.230 nan 0.000 0.452 368 N N 3.445 122.026 118.700 -0.198 0.000 2.727 368 N HA -0.183 4.556 4.740 -0.000 0.000 0.249 368 N C 0.919 176.317 175.510 -0.186 0.000 1.048 368 N CA 2.183 55.160 53.050 -0.122 0.000 0.714 368 N CB -1.283 37.171 38.487 -0.055 0.000 0.959 368 N HN 2.013 nan 8.380 nan 0.000 0.544 369 G N -1.482 107.149 108.800 -0.282 0.000 2.162 369 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.260 369 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.260 369 G C -0.204 174.236 174.900 -0.766 0.000 0.976 369 G CA 0.802 45.622 45.100 -0.467 0.000 0.655 369 G HN 0.741 nan 8.290 nan 0.000 0.533 370 H N -0.113 118.835 119.070 -0.203 0.000 2.821 370 H HA 0.449 5.005 4.556 -0.000 0.000 0.373 370 H C -2.506 172.597 175.328 -0.376 0.000 1.165 370 H CA -1.401 54.493 56.048 -0.256 0.000 1.154 370 H CB 2.288 31.915 29.762 -0.226 0.000 1.765 370 H HN 0.132 nan 8.280 nan 0.000 0.549 371 P HA 0.078 nan 4.420 nan 0.000 0.271 371 P C -0.353 176.402 177.300 -0.909 0.000 1.218 371 P CA -0.111 62.615 63.100 -0.623 0.000 0.780 371 P CB 1.241 32.551 31.700 -0.650 0.000 0.901 372 V N -1.583 118.006 119.914 -0.541 0.000 3.078 372 V HA 0.996 5.116 4.120 -0.000 0.000 0.311 372 V C -0.965 175.107 176.094 -0.037 0.000 1.138 372 V CA -1.223 60.924 62.300 -0.256 0.000 1.007 372 V CB 1.513 33.182 31.823 -0.257 0.000 1.045 372 V HN 0.875 nan 8.190 nan 0.000 0.432 373 A N 1.818 124.722 122.820 0.139 0.000 2.610 373 A HA 0.860 5.180 4.320 -0.000 0.000 0.291 373 A C -1.200 176.397 177.584 0.021 0.000 1.086 373 A CA -0.748 51.340 52.037 0.085 0.000 0.677 373 A CB 2.051 21.166 19.000 0.193 0.000 1.278 373 A HN 1.151 nan 8.150 nan 0.000 0.414 374 K N 1.087 121.470 120.400 -0.029 0.000 2.270 374 K HA 0.717 5.037 4.320 -0.000 0.000 0.255 374 K C -0.409 176.150 176.600 -0.068 0.000 0.936 374 K CA -0.678 55.572 56.287 -0.063 0.000 0.809 374 K CB 1.141 33.569 32.500 -0.120 0.000 1.131 374 K HN 0.619 nan 8.250 nan 0.000 0.427 375 I N 1.435 121.957 120.570 -0.081 0.000 2.900 375 I HA -0.042 4.128 4.170 -0.000 0.000 0.251 375 I C 0.232 176.305 176.117 -0.074 0.000 1.102 375 I CA 0.472 61.727 61.300 -0.075 0.000 1.457 375 I CB 0.093 38.039 38.000 -0.091 0.000 1.285 375 I HN 0.978 nan 8.210 nan 0.000 0.459 376 S N 1.201 116.855 115.700 -0.076 0.000 3.914 376 S HA -0.208 4.262 4.470 -0.000 0.000 0.674 376 S C -0.020 174.553 174.600 -0.046 0.000 1.528 376 S CA 0.352 58.511 58.200 -0.067 0.000 1.636 376 S CB -0.963 62.180 63.200 -0.095 0.000 0.356 376 S HN 0.413 nan 8.310 nan 0.000 1.280 377 D N 0.991 121.370 120.400 -0.035 0.000 2.328 377 D HA 0.199 4.839 4.640 -0.000 0.000 0.226 377 D C 0.382 176.684 176.300 0.002 0.000 1.066 377 D CA 0.813 54.814 54.000 0.002 0.000 0.861 377 D CB -0.104 40.724 40.800 0.047 0.000 0.912 377 D HN 0.593 nan 8.370 nan 0.000 0.521 378 T N 1.654 116.196 114.554 -0.021 0.000 2.744 378 T HA 0.469 4.819 4.350 -0.000 0.000 0.291 378 T C -0.930 173.762 174.700 -0.014 0.000 0.957 378 T CA -0.948 61.143 62.100 -0.015 0.000 1.002 378 T CB 1.800 70.649 68.868 -0.031 0.000 0.919 378 T HN 0.093 nan 8.240 nan 0.000 0.468 388 D N -0.867 119.600 120.400 0.112 0.000 2.264 388 D HA -0.035 4.605 4.640 -0.000 0.000 0.208 388 D C 1.530 177.960 176.300 0.216 0.000 0.966 388 D CA 0.805 54.870 54.000 0.109 0.000 0.864 388 D CB 0.032 40.861 40.800 0.048 0.000 0.933 388 D HN 0.160 nan 8.370 nan 0.000 0.499 389 F N 1.837 121.845 119.950 0.097 0.000 2.039 389 F HA -0.112 4.414 4.527 -0.000 0.000 0.294 389 F C 2.250 178.150 175.800 0.167 0.000 1.130 389 F CA 1.074 59.151 58.000 0.127 0.000 1.189 389 F CB -0.486 38.555 39.000 0.070 0.000 0.983 389 F HN -0.205 nan 8.300 nan 0.000 0.471 390 I N -0.117 120.508 120.570 0.093 0.000 2.399 390 I HA -0.361 3.809 4.170 -0.000 0.000 0.254 390 I C 2.621 178.727 176.117 -0.018 0.000 1.146 390 I CA 1.637 62.920 61.300 -0.027 0.000 1.412 390 I CB -0.754 37.299 38.000 0.087 0.000 1.076 390 I HN 0.370 nan 8.210 nan 0.000 0.432 391 H N 0.074 119.142 119.070 -0.003 0.000 2.333 391 H HA -0.229 4.327 4.556 -0.000 0.000 0.302 391 H C 2.142 177.501 175.328 0.052 0.000 1.075 391 H CA 1.803 57.867 56.048 0.026 0.000 1.348 391 H CB -0.197 29.592 29.762 0.045 0.000 1.393 391 H HN 0.360 nan 8.280 nan 0.000 0.509 392 Y N 0.844 121.190 120.300 0.076 0.000 2.242 392 Y HA -0.137 4.413 4.550 -0.000 0.000 0.291 392 Y C 2.531 178.388 175.900 -0.072 0.000 1.137 392 Y CA 1.168 59.286 58.100 0.030 0.000 1.181 392 Y CB -0.459 38.009 38.460 0.014 0.000 0.989 392 Y HN 0.211 nan 8.280 nan 0.000 0.527 393 L N 0.948 122.028 121.223 -0.238 0.000 1.989 393 L HA -0.210 4.130 4.340 -0.000 0.000 0.211 393 L C 2.179 178.991 176.870 -0.096 0.000 1.071 393 L CA 2.016 56.692 54.840 -0.273 0.000 0.749 393 L CB -0.777 40.985 42.059 -0.496 0.000 0.890 393 L HN 0.090 nan 8.230 nan 0.000 0.431 394 K N -1.497 118.828 120.400 -0.126 0.000 2.097 394 K HA -0.228 4.092 4.320 -0.000 0.000 0.206 394 K C 2.223 178.758 176.600 -0.108 0.000 1.049 394 K CA 1.397 57.630 56.287 -0.090 0.000 0.933 394 K CB -0.497 31.932 32.500 -0.118 0.000 0.717 394 K HN 0.565 nan 8.250 nan 0.000 0.442 395 H N 1.035 119.943 119.070 -0.269 0.000 2.293 395 H HA -0.118 4.438 4.556 -0.000 0.000 0.300 395 H C 2.016 177.177 175.328 -0.279 0.000 1.082 395 H CA 2.165 58.048 56.048 -0.275 0.000 1.308 395 H CB 0.037 29.628 29.762 -0.285 0.000 1.375 395 H HN 0.086 nan 8.280 nan 0.000 0.495 396 V N -1.463 118.164 119.914 -0.478 0.000 2.594 396 V HA -0.157 3.963 4.120 -0.000 0.000 0.253 396 V C 1.837 177.607 176.094 -0.539 0.000 1.069 396 V CA 1.598 63.553 62.300 -0.575 0.000 1.082 396 V CB -1.249 30.177 31.823 -0.662 0.000 0.680 396 V HN 0.175 nan 8.190 nan 0.000 0.469 397 F N 1.094 120.880 119.950 -0.274 0.000 2.693 397 F HA 0.405 4.932 4.527 -0.000 0.000 0.303 397 F C 1.074 176.767 175.800 -0.178 0.000 1.097 397 F CA -0.240 57.648 58.000 -0.187 0.000 1.330 397 F CB -0.409 38.506 39.000 -0.141 0.000 1.067 397 F HN 0.237 nan 8.300 nan 0.000 0.565 398 Q N 0.947 120.672 119.800 -0.124 0.000 2.453 398 Q HA -0.146 4.194 4.340 -0.000 0.000 0.350 398 Q C 0.164 176.133 176.000 -0.051 0.000 1.447 398 Q CA 0.318 56.044 55.803 -0.129 0.000 0.968 398 Q CB -1.852 26.817 28.738 -0.115 0.000 1.175 398 Q HN 0.424 nan 8.270 nan 0.000 0.354 399 V N 0.000 119.881 119.914 -0.054 0.000 2.409 399 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 399 V CA 0.000 62.276 62.300 -0.039 0.000 1.235 399 V CB 0.000 31.801 31.823 -0.037 0.000 1.184 399 V HN 0.000 nan 8.190 nan 0.000 0.556