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 2wgg_1_H DATA FIRST_RESID 2 DATA SEQUENCE SQPSTANGGF PSVVVTAVTA TTSISPDIES TWKGLLAGES GIHALEDEFV DATA SEQUENCE TKWDLAVKIG GHLKDPVDSH MGRLDMRRMS YVQRMGKLLG GQLWESAGSP DATA SEQUENCE EVDPDRFAVV VGTGLGGAER IVESYDLMNA GGPRKVSPLA VQMIMPNGAA DATA SEQUENCE AVIGLQLGAR AGVMTPVSAQ SSGSEAIAHA WRQIVMGDAD VAVCGGVEGP DATA SEQUENCE IEALPIAAFS MMRAMSTRND EPERASRPFD KDRDGFVFGE AGALMLIETE DATA SEQUENCE EHAKARGAKP LARLLGAGIT SDAFHMVAPA ADGVRAGRAM TRSLELAGLS DATA SEQUENCE PADIDHVNAH GTATPIGDAA EANAIRVAGC DQAAVYAPKS ALGHSIGAVG DATA SEQUENCE ALESVLTVLT LRDGVIPPTL NYETPDPEID LDVVAGEPRY GDYRYAVNNS DATA SEQUENCE FGFGGHNVAL AFGRY 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.578 174.600 -0.036 0.000 1.055 2 S CA 0.000 58.184 58.200 -0.027 0.000 1.107 2 S CB 0.000 63.180 63.200 -0.033 0.000 0.593 3 Q N 1.786 121.561 119.800 -0.041 0.000 2.353 3 Q HA 0.516 4.856 4.340 -0.000 0.000 0.268 3 Q C -2.580 173.353 176.000 -0.112 0.000 1.045 3 Q CA -2.062 53.708 55.803 -0.055 0.000 0.811 3 Q CB 1.886 30.617 28.738 -0.012 0.000 1.305 3 Q HN 0.483 nan 8.270 nan 0.000 0.447 4 P HA 0.011 nan 4.420 nan 0.000 0.268 4 P C -0.882 176.150 177.300 -0.447 0.000 1.205 4 P CA 0.061 62.887 63.100 -0.457 0.000 0.771 4 P CB 1.000 32.214 31.700 -0.809 0.000 0.858 5 S N 0.043 115.575 115.700 -0.281 0.000 2.618 5 S HA 0.336 4.806 4.470 -0.000 0.000 0.277 5 S C 1.036 175.750 174.600 0.190 0.000 1.138 5 S CA -0.508 57.743 58.200 0.086 0.000 0.844 5 S CB 0.912 64.181 63.200 0.115 0.000 1.127 5 S HN 0.318 nan 8.310 nan 0.000 0.474 6 T N 1.671 116.488 114.554 0.439 0.000 2.737 6 T HA -0.108 4.242 4.350 -0.000 0.000 0.269 6 T C 2.132 176.933 174.700 0.169 0.000 1.040 6 T CA 1.999 64.297 62.100 0.330 0.000 1.142 6 T CB -0.902 68.156 68.868 0.316 0.000 0.861 6 T HN 0.889 nan 8.240 nan 0.000 0.456 7 A N 2.993 125.882 122.820 0.115 0.000 1.877 7 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 7 A C 1.953 179.564 177.584 0.044 0.000 1.186 7 A CA 1.921 53.995 52.037 0.063 0.000 0.620 7 A CB -0.682 18.332 19.000 0.024 0.000 0.822 7 A HN 0.689 nan 8.150 nan 0.000 0.443 8 N N -1.260 117.454 118.700 0.023 0.000 2.370 8 N HA 0.303 5.043 4.740 -0.000 0.000 0.198 8 N C 0.912 176.415 175.510 -0.012 0.000 1.156 8 N CA 1.052 54.100 53.050 -0.004 0.000 0.839 8 N CB -0.225 38.246 38.487 -0.027 0.000 0.989 8 N HN 0.774 nan 8.380 nan 0.000 0.468 9 G N -1.299 107.509 108.800 0.014 0.000 2.189 9 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.267 9 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.267 9 G C 1.054 175.932 174.900 -0.037 0.000 0.975 9 G CA 0.331 45.440 45.100 0.015 0.000 0.644 9 G HN 0.679 nan 8.290 nan 0.000 0.537 10 G N -0.671 108.050 108.800 -0.132 0.000 2.448 10 G HA2 0.241 4.201 3.960 -0.000 0.000 0.219 10 G HA3 0.241 4.201 3.960 -0.000 0.000 0.219 10 G C 0.462 175.129 174.900 -0.389 0.000 1.127 10 G CA 0.974 45.888 45.100 -0.309 0.000 0.766 10 G HN 0.482 nan 8.290 nan 0.000 0.552 11 F N 1.001 120.963 119.950 0.020 0.000 2.508 11 F HA 0.459 4.986 4.527 -0.000 0.000 0.325 11 F C -1.894 173.913 175.800 0.012 0.000 1.090 11 F CA -3.252 54.741 58.000 -0.011 0.000 0.945 11 F CB 1.703 40.712 39.000 0.015 0.000 1.156 11 F HN -0.204 nan 8.300 nan 0.000 0.463 12 P HA -0.017 nan 4.420 nan 0.000 0.268 12 P C -0.287 177.107 177.300 0.156 0.000 1.208 12 P CA -0.123 63.049 63.100 0.120 0.000 0.777 12 P CB 0.846 32.583 31.700 0.062 0.000 0.875 13 S N 0.894 116.682 115.700 0.146 0.000 2.533 13 S HA 0.228 4.698 4.470 -0.000 0.000 0.282 13 S C -0.271 174.423 174.600 0.156 0.000 1.304 13 S CA -0.454 57.846 58.200 0.168 0.000 1.063 13 S CB -0.413 62.880 63.200 0.154 0.000 0.881 13 S HN 0.214 nan 8.310 nan 0.000 0.493 14 V N 6.622 126.651 119.914 0.192 0.000 2.444 14 V HA 0.537 4.657 4.120 -0.000 0.000 0.294 14 V C -0.080 176.112 176.094 0.164 0.000 1.022 14 V CA -0.732 61.675 62.300 0.178 0.000 0.850 14 V CB 1.482 33.469 31.823 0.273 0.000 0.992 14 V HN 0.821 nan 8.190 nan 0.000 0.426 15 V N 3.015 122.998 119.914 0.114 0.000 2.815 15 V HA 0.753 4.873 4.120 -0.000 0.000 0.314 15 V C -0.315 175.817 176.094 0.064 0.000 1.064 15 V CA -0.879 61.469 62.300 0.080 0.000 0.952 15 V CB 1.993 33.804 31.823 -0.021 0.000 1.020 15 V HN 0.445 nan 8.190 nan 0.000 0.439 16 V N 3.649 123.601 119.914 0.064 0.000 2.385 16 V HA 0.327 4.447 4.120 -0.000 0.000 0.269 16 V C 1.378 177.456 176.094 -0.027 0.000 1.043 16 V CA 0.650 62.980 62.300 0.051 0.000 0.906 16 V CB 0.739 32.612 31.823 0.082 0.000 0.995 16 V HN 1.174 nan 8.190 nan 0.000 0.467 17 T N 0.954 115.488 114.554 -0.033 0.000 3.022 17 T HA 0.607 4.957 4.350 -0.000 0.000 0.250 17 T C 0.412 175.068 174.700 -0.073 0.000 1.060 17 T CA 0.478 62.533 62.100 -0.074 0.000 1.013 17 T CB 0.568 69.389 68.868 -0.079 0.000 0.982 17 T HN 0.977 nan 8.240 nan 0.000 0.508 18 A N 0.939 123.731 122.820 -0.046 0.000 2.594 18 A HA 0.678 4.998 4.320 -0.000 0.000 0.296 18 A C -1.201 176.370 177.584 -0.022 0.000 1.056 18 A CA -0.686 51.325 52.037 -0.042 0.000 0.693 18 A CB 1.368 20.341 19.000 -0.044 0.000 1.278 18 A HN 0.947 nan 8.150 nan 0.000 0.408 19 V N -1.405 118.490 119.914 -0.032 0.000 2.876 19 V HA 0.983 5.103 4.120 -0.000 0.000 0.312 19 V C -0.466 175.619 176.094 -0.014 0.000 1.085 19 V CA -0.212 62.069 62.300 -0.031 0.000 0.945 19 V CB 1.458 33.233 31.823 -0.079 0.000 1.017 19 V HN 1.467 nan 8.190 nan 0.000 0.428 20 T N 2.137 116.691 114.554 -0.000 0.000 2.933 20 T HA 0.879 5.229 4.350 -0.000 0.000 0.305 20 T C -0.847 173.856 174.700 0.004 0.000 1.092 20 T CA 0.315 62.420 62.100 0.007 0.000 1.008 20 T CB 1.518 70.401 68.868 0.024 0.000 1.102 20 T HN 2.119 nan 8.240 nan 0.000 0.469 21 A N 2.311 125.134 122.820 0.006 0.000 2.555 21 A HA 0.682 5.002 4.320 -0.000 0.000 0.297 21 A C -0.536 177.057 177.584 0.015 0.000 1.060 21 A CA -0.632 51.412 52.037 0.012 0.000 0.710 21 A CB 1.891 20.900 19.000 0.015 0.000 1.282 21 A HN 0.745 nan 8.150 nan 0.000 0.399 22 T N 0.839 115.402 114.554 0.015 0.000 2.855 22 T HA 0.795 5.145 4.350 -0.000 0.000 0.281 22 T C -0.330 174.399 174.700 0.048 0.000 1.007 22 T CA 0.076 62.188 62.100 0.020 0.000 1.009 22 T CB 1.112 69.977 68.868 -0.005 0.000 0.983 22 T HN 0.864 nan 8.240 nan 0.000 0.455 23 T N 1.175 115.767 114.554 0.063 0.000 2.816 23 T HA 0.353 4.703 4.350 -0.000 0.000 0.299 23 T C 1.288 176.046 174.700 0.096 0.000 1.230 23 T CA -0.147 62.000 62.100 0.078 0.000 1.007 23 T CB 1.474 70.389 68.868 0.078 0.000 1.289 23 T HN 0.660 nan 8.240 nan 0.000 0.508 24 S N 0.484 116.246 115.700 0.104 0.000 2.474 24 S HA 0.015 4.485 4.470 -0.000 0.000 0.235 24 S C 1.715 176.386 174.600 0.120 0.000 0.997 24 S CA 0.816 59.093 58.200 0.128 0.000 0.949 24 S CB -0.500 62.774 63.200 0.123 0.000 0.766 24 S HN 0.617 nan 8.310 nan 0.000 0.517 25 I N 0.188 120.817 120.570 0.098 0.000 2.628 25 I HA 0.170 4.340 4.170 -0.000 0.000 0.255 25 I C 1.118 177.280 176.117 0.076 0.000 1.119 25 I CA 0.504 61.855 61.300 0.085 0.000 1.448 25 I CB 0.280 38.329 38.000 0.081 0.000 1.133 25 I HN 0.372 nan 8.210 nan 0.000 0.438 26 S N -0.671 115.075 115.700 0.076 0.000 2.565 26 S HA 0.311 4.781 4.470 -0.000 0.000 0.274 26 S C -2.393 172.242 174.600 0.059 0.000 1.144 26 S CA -0.898 57.342 58.200 0.067 0.000 0.849 26 S CB 1.733 64.973 63.200 0.067 0.000 1.103 26 S HN -0.174 nan 8.310 nan 0.000 0.455 27 P HA 0.165 nan 4.420 nan 0.000 0.245 27 P C -0.337 176.975 177.300 0.019 0.000 1.212 27 P CA 0.475 63.586 63.100 0.019 0.000 0.774 27 P CB -0.278 31.424 31.700 0.002 0.000 0.999 28 D N 0.049 120.473 120.400 0.040 0.000 2.349 28 D HA 0.110 4.750 4.640 -0.000 0.000 0.232 28 D C 1.044 177.380 176.300 0.060 0.000 1.071 28 D CA -0.735 53.291 54.000 0.044 0.000 0.832 28 D CB 0.614 41.444 40.800 0.050 0.000 1.086 28 D HN -0.293 nan 8.370 nan 0.000 0.504 29 I N 3.656 124.254 120.570 0.048 0.000 2.194 29 I HA -0.230 3.940 4.170 -0.000 0.000 0.246 29 I C 1.613 177.795 176.117 0.108 0.000 1.093 29 I CA 1.731 63.066 61.300 0.058 0.000 1.355 29 I CB -0.016 37.990 38.000 0.009 0.000 1.046 29 I HN 0.472 nan 8.210 nan 0.000 0.413 30 E N 0.024 120.281 120.200 0.095 0.000 2.153 30 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 30 E C 2.366 179.077 176.600 0.186 0.000 0.988 30 E CA 1.339 57.831 56.400 0.154 0.000 0.811 30 E CB -0.363 29.398 29.700 0.102 0.000 0.746 30 E HN 0.496 nan 8.360 nan 0.000 0.466 31 S N 0.167 115.942 115.700 0.125 0.000 2.377 31 S HA -0.061 4.409 4.470 -0.000 0.000 0.223 31 S C 2.069 176.732 174.600 0.105 0.000 1.030 31 S CA 1.117 59.376 58.200 0.098 0.000 0.970 31 S CB -0.139 63.104 63.200 0.071 0.000 0.830 31 S HN 0.270 nan 8.310 nan 0.000 0.473 32 T N 1.437 116.065 114.554 0.125 0.000 2.684 32 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 32 T C 1.336 176.151 174.700 0.192 0.000 1.036 32 T CA 1.210 63.392 62.100 0.138 0.000 1.148 32 T CB -0.345 68.608 68.868 0.142 0.000 0.863 32 T HN 0.605 nan 8.240 nan 0.000 0.436 33 W N 2.169 123.474 121.300 0.009 0.000 2.354 33 W HA -0.167 4.493 4.660 -0.000 0.000 0.315 33 W C 2.012 178.524 176.519 -0.012 0.000 1.206 33 W CA 1.190 58.532 57.345 -0.006 0.000 1.290 33 W CB -0.133 29.318 29.460 -0.015 0.000 1.152 33 W HN 0.263 nan 8.180 nan 0.000 0.489 34 K N -0.175 120.214 120.400 -0.018 0.000 2.063 34 K HA -0.153 4.166 4.320 -0.000 0.000 0.208 34 K C 2.291 178.808 176.600 -0.138 0.000 1.048 34 K CA 1.554 57.759 56.287 -0.137 0.000 0.928 34 K CB -0.972 31.516 32.500 -0.020 0.000 0.713 34 K HN 0.241 nan 8.250 nan 0.000 0.442 35 G N 1.717 110.486 108.800 -0.052 0.000 2.418 35 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 35 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 35 G C 1.523 176.382 174.900 -0.067 0.000 1.158 35 G CA 0.587 45.667 45.100 -0.033 0.000 0.771 35 G HN 0.087 nan 8.290 nan 0.000 0.545 36 L N -0.182 120.987 121.223 -0.090 0.000 2.046 36 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 36 L C 2.902 179.626 176.870 -0.243 0.000 1.077 36 L CA 0.635 55.409 54.840 -0.110 0.000 0.747 36 L CB -0.413 41.608 42.059 -0.064 0.000 0.896 36 L HN 0.186 nan 8.230 nan 0.000 0.432 37 L N -0.378 120.592 121.223 -0.421 0.000 2.141 37 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 37 L C 2.731 179.458 176.870 -0.238 0.000 1.094 37 L CA 0.928 55.502 54.840 -0.443 0.000 0.763 37 L CB -0.630 41.073 42.059 -0.593 0.000 0.908 37 L HN 0.219 nan 8.230 nan 0.000 0.437 38 A N -0.317 122.403 122.820 -0.168 0.000 2.121 38 A HA 0.134 4.454 4.320 -0.000 0.000 0.218 38 A C 1.785 179.332 177.584 -0.062 0.000 1.154 38 A CA 0.998 52.981 52.037 -0.091 0.000 0.679 38 A CB -0.574 18.389 19.000 -0.062 0.000 0.795 38 A HN 0.546 nan 8.150 nan 0.000 0.458 39 G N -0.591 108.169 108.800 -0.067 0.000 2.132 39 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.228 39 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.228 39 G C -0.250 174.650 174.900 -0.000 0.000 1.000 39 G CA 0.208 45.293 45.100 -0.026 0.000 0.693 39 G HN 0.656 nan 8.290 nan 0.000 0.515 40 E N 0.322 120.521 120.200 -0.001 0.000 2.373 40 E HA 0.510 4.859 4.350 -0.000 0.000 0.263 40 E C 0.278 176.901 176.600 0.037 0.000 1.073 40 E CA 0.198 56.610 56.400 0.019 0.000 0.894 40 E CB 1.294 31.005 29.700 0.018 0.000 1.008 40 E HN 0.174 nan 8.360 nan 0.000 0.420 41 S N 0.242 115.970 115.700 0.045 0.000 2.509 41 S HA 0.439 4.909 4.470 -0.000 0.000 0.297 41 S C 0.741 175.384 174.600 0.072 0.000 1.118 41 S CA -0.425 57.808 58.200 0.055 0.000 1.074 41 S CB 1.330 64.560 63.200 0.049 0.000 1.038 41 S HN 0.617 nan 8.310 nan 0.000 0.498 42 G N 3.130 111.977 108.800 0.078 0.000 2.939 42 G HA2 0.169 4.129 3.960 -0.000 0.000 0.210 42 G HA3 0.169 4.129 3.960 -0.000 0.000 0.210 42 G C 0.286 175.264 174.900 0.130 0.000 1.160 42 G CA -0.006 45.159 45.100 0.109 0.000 0.770 42 G HN 0.597 nan 8.290 nan 0.000 0.543 43 I N 2.120 122.728 120.570 0.063 0.000 2.395 43 I HA 0.351 4.521 4.170 -0.000 0.000 0.289 43 I C 0.344 176.479 176.117 0.030 0.000 1.023 43 I CA -0.938 60.346 61.300 -0.026 0.000 1.350 43 I CB 0.239 38.214 38.000 -0.041 0.000 1.409 43 I HN 0.406 nan 8.210 nan 0.000 0.507 44 H N 3.156 122.229 119.070 0.005 0.000 2.960 44 H HA 0.857 5.413 4.556 -0.000 0.000 0.303 44 H C -0.542 174.787 175.328 0.002 0.000 1.412 44 H CA -1.213 54.841 56.048 0.010 0.000 1.227 44 H CB 0.763 30.540 29.762 0.025 0.000 1.912 44 H HN 0.587 nan 8.280 nan 0.000 0.583 45 A N 1.138 124.058 122.820 0.168 0.000 2.401 45 A HA 0.369 4.689 4.320 -0.000 0.000 0.259 45 A C -0.095 177.596 177.584 0.179 0.000 1.103 45 A CA -0.669 51.429 52.037 0.102 0.000 0.789 45 A CB -0.326 18.725 19.000 0.085 0.000 1.035 45 A HN 0.574 nan 8.150 nan 0.000 0.491 46 L N 2.455 123.720 121.223 0.070 0.000 2.410 46 L HA 0.137 4.477 4.340 -0.000 0.000 0.273 46 L C 0.944 177.843 176.870 0.047 0.000 1.144 46 L CA -0.208 54.680 54.840 0.080 0.000 0.863 46 L CB 0.454 42.528 42.059 0.026 0.000 1.140 46 L HN 0.811 nan 8.230 nan 0.000 0.463 47 E N 1.073 121.310 120.200 0.062 0.000 2.340 47 E HA 0.014 4.364 4.350 -0.000 0.000 0.198 47 E C -0.189 176.348 176.600 -0.106 0.000 0.961 47 E CA 0.108 56.505 56.400 -0.004 0.000 0.905 47 E CB 0.121 29.833 29.700 0.020 0.000 0.884 47 E HN 0.713 nan 8.360 nan 0.000 0.491 48 D N 2.675 122.946 120.400 -0.216 0.000 2.772 48 D HA -0.099 4.541 4.640 -0.000 0.000 0.227 48 D C 0.754 176.827 176.300 -0.378 0.000 1.114 48 D CA 0.411 54.154 54.000 -0.429 0.000 0.832 48 D CB 0.497 40.664 40.800 -1.055 0.000 1.154 48 D HN -0.177 nan 8.370 nan 0.000 0.514 49 E N 1.715 121.818 120.200 -0.161 0.000 2.461 49 E HA -0.070 4.280 4.350 -0.000 0.000 0.196 49 E C 1.024 177.650 176.600 0.043 0.000 1.129 49 E CA 0.011 56.377 56.400 -0.056 0.000 0.902 49 E CB -0.165 29.519 29.700 -0.026 0.000 0.963 49 E HN 0.608 nan 8.360 nan 0.000 0.503 50 F N -2.591 117.453 119.950 0.157 0.000 2.710 50 F HA 0.072 4.598 4.527 -0.000 0.000 0.298 50 F C 1.584 177.605 175.800 0.368 0.000 1.137 50 F CA -0.102 58.079 58.000 0.303 0.000 1.444 50 F CB -0.882 38.452 39.000 0.557 0.000 1.111 50 F HN -0.178 nan 8.300 nan 0.000 0.580 51 V N 1.281 121.403 119.914 0.346 0.000 2.323 51 V HA -0.228 3.892 4.120 -0.000 0.000 0.244 51 V C 2.748 178.968 176.094 0.212 0.000 1.041 51 V CA 2.542 65.031 62.300 0.316 0.000 1.025 51 V CB -0.957 30.943 31.823 0.129 0.000 0.656 51 V HN 0.605 nan 8.190 nan 0.000 0.451 52 T N -1.999 112.619 114.554 0.106 0.000 2.812 52 T HA -0.217 4.133 4.350 -0.000 0.000 0.264 52 T C 1.921 176.629 174.700 0.013 0.000 1.042 52 T CA 1.414 63.545 62.100 0.052 0.000 1.140 52 T CB -0.311 68.564 68.868 0.012 0.000 0.870 52 T HN 0.325 nan 8.240 nan 0.000 0.445 53 K N 0.228 120.598 120.400 -0.050 0.000 2.074 53 K HA -0.137 4.182 4.320 -0.000 0.000 0.209 53 K C 1.243 177.634 176.600 -0.348 0.000 1.048 53 K CA 1.767 57.876 56.287 -0.297 0.000 0.926 53 K CB -0.222 31.968 32.500 -0.517 0.000 0.713 53 K HN 0.649 nan 8.250 nan 0.000 0.444 54 W N 0.745 122.117 121.300 0.119 0.000 3.132 54 W HA 0.170 4.830 4.660 -0.000 0.000 0.364 54 W C -0.390 176.175 176.519 0.075 0.000 1.129 54 W CA -0.711 56.687 57.345 0.088 0.000 1.815 54 W CB 0.017 29.526 29.460 0.082 0.000 1.099 54 W HN 0.159 nan 8.180 nan 0.000 0.605 55 D N 1.860 122.395 120.400 0.224 0.000 2.980 55 D HA -0.198 4.442 4.640 -0.000 0.000 0.218 55 D C -0.429 175.976 176.300 0.176 0.000 1.225 55 D CA 0.654 54.749 54.000 0.158 0.000 0.804 55 D CB -0.530 40.332 40.800 0.103 0.000 0.906 55 D HN 0.111 nan 8.370 nan 0.000 0.396 56 L N 1.213 122.558 121.223 0.204 0.000 2.326 56 L HA 0.473 4.813 4.340 -0.000 0.000 0.278 56 L C 1.871 178.803 176.870 0.103 0.000 1.092 56 L CA -0.274 54.667 54.840 0.168 0.000 0.810 56 L CB 1.251 43.444 42.059 0.223 0.000 1.153 56 L HN 0.359 nan 8.230 nan 0.000 0.439 57 A N 3.623 126.482 122.820 0.065 0.000 1.972 57 A HA -0.007 4.313 4.320 -0.000 0.000 0.219 57 A C 0.843 178.436 177.584 0.015 0.000 1.169 57 A CA 0.855 52.910 52.037 0.030 0.000 0.635 57 A CB -0.114 18.890 19.000 0.008 0.000 0.810 57 A HN 0.407 nan 8.150 nan 0.000 0.446 58 V N 0.595 120.520 119.914 0.018 0.000 2.370 58 V HA 0.247 4.367 4.120 -0.000 0.000 0.279 58 V C 0.200 176.326 176.094 0.053 0.000 1.029 58 V CA -0.273 62.025 62.300 -0.005 0.000 0.870 58 V CB 1.213 33.002 31.823 -0.057 0.000 0.984 58 V HN 0.449 nan 8.190 nan 0.000 0.451 59 K N 5.811 126.230 120.400 0.031 0.000 2.676 59 K HA 0.457 4.777 4.320 -0.000 0.000 0.205 59 K C -0.324 176.285 176.600 0.015 0.000 1.084 59 K CA -0.057 56.260 56.287 0.051 0.000 1.057 59 K CB 0.540 33.067 32.500 0.046 0.000 0.791 59 K HN 0.743 nan 8.250 nan 0.000 0.484 60 I N -3.631 116.928 120.570 -0.018 0.000 3.074 60 I HA 0.869 5.039 4.170 -0.000 0.000 0.310 60 I C -0.315 175.729 176.117 -0.121 0.000 1.153 60 I CA -1.098 60.156 61.300 -0.076 0.000 0.993 60 I CB 2.462 40.419 38.000 -0.073 0.000 1.237 60 I HN 0.039 nan 8.210 nan 0.000 0.443 61 G N 1.014 109.668 108.800 -0.244 0.000 2.350 61 G HA2 0.460 4.420 3.960 -0.000 0.000 0.304 61 G HA3 0.460 4.420 3.960 -0.000 0.000 0.304 61 G C -1.304 173.241 174.900 -0.591 0.000 1.421 61 G CA -0.303 44.630 45.100 -0.277 0.000 0.934 61 G HN 1.094 nan 8.290 nan 0.000 0.632 62 G N 0.241 108.832 108.800 -0.349 0.000 2.588 62 G HA2 0.591 4.551 3.960 -0.000 0.000 0.312 62 G HA3 0.591 4.551 3.960 -0.000 0.000 0.312 62 G C -0.287 174.587 174.900 -0.042 0.000 1.257 62 G CA -0.521 44.441 45.100 -0.230 0.000 0.994 62 G HN 0.636 nan 8.290 nan 0.000 0.498 63 H N 1.540 120.771 119.070 0.268 0.000 2.679 63 H HA 0.127 4.683 4.556 -0.000 0.000 0.369 63 H C 0.901 176.343 175.328 0.190 0.000 1.178 63 H CA -0.030 56.151 56.048 0.222 0.000 1.419 63 H CB 1.314 31.223 29.762 0.245 0.000 1.458 63 H HN 0.260 nan 8.280 nan 0.000 0.605 64 L N 2.225 123.613 121.223 0.275 0.000 2.540 64 L HA -0.116 4.224 4.340 -0.000 0.000 0.276 64 L C 1.831 178.801 176.870 0.166 0.000 1.212 64 L CA -0.040 54.911 54.840 0.186 0.000 0.893 64 L CB 0.352 42.507 42.059 0.160 0.000 1.138 64 L HN 0.578 nan 8.230 nan 0.000 0.491 65 K N 2.532 123.010 120.400 0.129 0.000 2.034 65 K HA -0.214 4.106 4.320 -0.000 0.000 0.214 65 K C 0.385 177.037 176.600 0.086 0.000 1.051 65 K CA 1.716 58.061 56.287 0.097 0.000 0.931 65 K CB -0.068 32.480 32.500 0.080 0.000 0.715 65 K HN 0.615 nan 8.250 nan 0.000 0.446 66 D N 0.117 120.568 120.400 0.086 0.000 2.453 66 D HA 0.289 4.929 4.640 -0.000 0.000 0.238 66 D C -2.668 173.689 176.300 0.096 0.000 1.088 66 D CA -2.729 51.325 54.000 0.091 0.000 0.854 66 D CB 1.124 41.980 40.800 0.093 0.000 1.076 66 D HN -0.045 nan 8.370 nan 0.000 0.533 67 P HA -0.036 nan 4.420 nan 0.000 0.265 67 P C 1.188 178.560 177.300 0.121 0.000 1.193 67 P CA -0.400 62.776 63.100 0.126 0.000 0.765 67 P CB 1.032 32.797 31.700 0.109 0.000 0.823 68 V N 2.304 122.278 119.914 0.100 0.000 2.324 68 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 68 V C 1.332 177.461 176.094 0.058 0.000 1.060 68 V CA 2.102 64.401 62.300 -0.001 0.000 1.042 68 V CB -0.802 30.900 31.823 -0.202 0.000 0.650 68 V HN 0.572 nan 8.190 nan 0.000 0.450 69 D N -0.253 120.205 120.400 0.097 0.000 2.349 69 D HA -0.016 4.623 4.640 -0.000 0.000 0.224 69 D C 2.161 178.517 176.300 0.094 0.000 1.029 69 D CA 1.057 55.111 54.000 0.091 0.000 0.879 69 D CB 0.039 40.903 40.800 0.107 0.000 0.906 69 D HN 0.630 nan 8.370 nan 0.000 0.528 70 S N -0.883 114.890 115.700 0.121 0.000 2.522 70 S HA -0.087 4.383 4.470 -0.000 0.000 0.227 70 S C 1.413 176.049 174.600 0.061 0.000 0.986 70 S CA 0.558 58.813 58.200 0.092 0.000 0.929 70 S CB -0.186 63.075 63.200 0.102 0.000 0.769 70 S HN 0.249 nan 8.310 nan 0.000 0.529 71 H N -0.042 119.034 119.070 0.011 0.000 2.648 71 H HA 0.439 4.995 4.556 -0.000 0.000 0.265 71 H C 0.139 175.466 175.328 -0.002 0.000 0.961 71 H CA 0.158 56.209 56.048 0.005 0.000 1.185 71 H CB 0.247 30.009 29.762 0.001 0.000 1.449 71 H HN 0.292 nan 8.280 nan 0.000 0.523 72 M N 0.999 120.656 119.600 0.094 0.000 2.157 72 M HA 0.286 4.766 4.480 -0.000 0.000 0.354 72 M C 0.852 177.169 176.300 0.027 0.000 1.170 72 M CA -0.410 54.919 55.300 0.049 0.000 1.060 72 M CB 1.062 33.681 32.600 0.032 0.000 1.615 72 M HN 0.218 nan 8.290 nan 0.000 0.460 73 G N 2.680 111.491 108.800 0.018 0.000 2.667 73 G HA2 0.198 4.158 3.960 -0.000 0.000 0.250 73 G HA3 0.198 4.158 3.960 -0.000 0.000 0.250 73 G C 0.768 175.677 174.900 0.014 0.000 1.212 73 G CA -0.507 44.600 45.100 0.011 0.000 0.874 73 G HN 0.813 nan 8.290 nan 0.000 0.561 74 R N 0.044 120.552 120.500 0.013 0.000 2.237 74 R HA 0.008 4.348 4.340 -0.000 0.000 0.219 74 R C 2.282 178.590 176.300 0.014 0.000 1.080 74 R CA 0.143 56.253 56.100 0.016 0.000 0.995 74 R CB -0.244 30.064 30.300 0.014 0.000 0.875 74 R HN 0.445 nan 8.270 nan 0.000 0.462 75 L N 1.173 122.402 121.223 0.010 0.000 2.017 75 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 75 L C 1.220 178.095 176.870 0.008 0.000 1.073 75 L CA 1.744 56.589 54.840 0.008 0.000 0.745 75 L CB -0.252 41.810 42.059 0.005 0.000 0.894 75 L HN 0.182 nan 8.230 nan 0.000 0.432 76 D N -0.489 119.916 120.400 0.008 0.000 2.178 76 D HA -0.160 4.480 4.640 -0.000 0.000 0.202 76 D C 2.245 178.552 176.300 0.011 0.000 0.974 76 D CA 0.931 54.934 54.000 0.004 0.000 0.841 76 D CB 0.002 40.801 40.800 -0.001 0.000 0.953 76 D HN 0.281 nan 8.370 nan 0.000 0.478 77 M N -0.036 119.575 119.600 0.019 0.000 2.460 77 M HA -0.040 4.440 4.480 -0.000 0.000 0.263 77 M C 1.526 177.845 176.300 0.031 0.000 1.071 77 M CA 0.974 56.293 55.300 0.031 0.000 1.096 77 M CB -0.315 32.306 32.600 0.035 0.000 1.408 77 M HN 0.009 nan 8.290 nan 0.000 0.463 78 R N -0.146 120.367 120.500 0.022 0.000 2.335 78 R HA 0.103 4.443 4.340 -0.000 0.000 0.210 78 R C 1.806 178.117 176.300 0.017 0.000 0.892 78 R CA 0.238 56.350 56.100 0.021 0.000 1.048 78 R CB 0.535 30.845 30.300 0.017 0.000 1.067 78 R HN 0.436 nan 8.270 nan 0.000 0.524 79 R N -1.025 119.483 120.500 0.013 0.000 2.469 79 R HA 0.327 4.667 4.340 -0.000 0.000 0.250 79 R C 0.334 176.637 176.300 0.005 0.000 0.909 79 R CA 0.049 56.154 56.100 0.008 0.000 1.050 79 R CB 0.599 30.901 30.300 0.003 0.000 1.256 79 R HN -0.093 nan 8.270 nan 0.000 0.550 80 M N 1.394 120.999 119.600 0.008 0.000 2.591 80 M HA 0.358 4.838 4.480 -0.000 0.000 0.306 80 M C -0.530 175.782 176.300 0.021 0.000 1.190 80 M CA -1.164 54.138 55.300 0.004 0.000 0.889 80 M CB 2.571 35.164 32.600 -0.012 0.000 1.728 80 M HN 0.177 nan 8.290 nan 0.000 0.458 81 S N 0.210 115.926 115.700 0.026 0.000 2.624 81 S HA 0.164 4.634 4.470 -0.000 0.000 0.263 81 S C 0.754 175.401 174.600 0.078 0.000 1.287 81 S CA -0.458 57.778 58.200 0.060 0.000 0.990 81 S CB 0.595 63.828 63.200 0.056 0.000 0.950 81 S HN 0.768 nan 8.310 nan 0.000 0.561 82 Y N 1.679 121.981 120.300 0.004 0.000 2.102 82 Y HA -0.243 4.306 4.550 -0.000 0.000 0.280 82 Y C 2.295 178.195 175.900 0.001 0.000 1.178 82 Y CA 2.613 60.716 58.100 0.005 0.000 1.146 82 Y CB -0.834 37.629 38.460 0.004 0.000 0.968 82 Y HN 0.540 nan 8.280 nan 0.000 0.504 83 V N -1.567 118.418 119.914 0.118 0.000 2.515 83 V HA -0.261 3.858 4.120 -0.000 0.000 0.250 83 V C 1.895 177.955 176.094 -0.056 0.000 1.058 83 V CA 1.957 64.274 62.300 0.028 0.000 1.064 83 V CB -1.067 30.800 31.823 0.073 0.000 0.675 83 V HN 0.488 nan 8.190 nan 0.000 0.461 84 Q N 0.369 120.145 119.800 -0.040 0.000 2.084 84 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 84 Q C 2.556 178.502 176.000 -0.090 0.000 0.978 84 Q CA 1.973 57.744 55.803 -0.053 0.000 0.844 84 Q CB -0.273 28.446 28.738 -0.032 0.000 0.898 84 Q HN 0.625 nan 8.270 nan 0.000 0.426 85 R N 0.327 120.750 120.500 -0.127 0.000 2.073 85 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 85 R C 2.322 178.499 176.300 -0.204 0.000 1.134 85 R CA 1.512 57.518 56.100 -0.157 0.000 0.952 85 R CB -0.395 29.799 30.300 -0.175 0.000 0.850 85 R HN 0.337 nan 8.270 nan 0.000 0.433 86 M N 0.288 119.696 119.600 -0.320 0.000 2.108 86 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 86 M C 2.092 178.314 176.300 -0.129 0.000 1.066 86 M CA 2.204 57.349 55.300 -0.257 0.000 1.107 86 M CB -0.392 32.035 32.600 -0.287 0.000 1.356 86 M HN 0.258 nan 8.290 nan 0.000 0.406 87 G N 0.328 109.068 108.800 -0.100 0.000 2.421 87 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.216 87 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.216 87 G C 1.534 176.401 174.900 -0.054 0.000 1.171 87 G CA 1.186 46.249 45.100 -0.061 0.000 0.775 87 G HN 0.546 nan 8.290 nan 0.000 0.543 88 K N -0.252 120.111 120.400 -0.062 0.000 2.063 88 K HA -0.063 4.257 4.320 -0.000 0.000 0.208 88 K C 2.435 179.014 176.600 -0.035 0.000 1.048 88 K CA 1.280 57.538 56.287 -0.048 0.000 0.928 88 K CB -0.264 32.208 32.500 -0.046 0.000 0.713 88 K HN 0.262 nan 8.250 nan 0.000 0.442 89 L N 1.481 122.674 121.223 -0.050 0.000 1.994 89 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 89 L C 2.059 178.911 176.870 -0.030 0.000 1.071 89 L CA 1.592 56.405 54.840 -0.045 0.000 0.745 89 L CB -0.370 41.633 42.059 -0.093 0.000 0.892 89 L HN 0.216 nan 8.230 nan 0.000 0.431 90 L N -0.834 120.368 121.223 -0.034 0.000 2.141 90 L HA -0.066 4.274 4.340 -0.000 0.000 0.209 90 L C 2.510 179.397 176.870 0.029 0.000 1.094 90 L CA 1.033 55.868 54.840 -0.008 0.000 0.763 90 L CB -1.302 40.751 42.059 -0.010 0.000 0.908 90 L HN 0.461 nan 8.230 nan 0.000 0.437 91 G N -0.215 108.597 108.800 0.021 0.000 2.418 91 G HA2 -0.172 3.787 3.960 -0.000 0.000 0.217 91 G HA3 -0.172 3.787 3.960 -0.000 0.000 0.217 91 G C 1.594 176.545 174.900 0.085 0.000 1.158 91 G CA 0.727 45.852 45.100 0.043 0.000 0.771 91 G HN 0.470 nan 8.290 nan 0.000 0.545 92 G N 0.067 108.905 108.800 0.062 0.000 2.394 92 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.215 92 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.215 92 G C 1.784 176.765 174.900 0.135 0.000 1.165 92 G CA 0.930 46.091 45.100 0.101 0.000 0.784 92 G HN 0.494 nan 8.290 nan 0.000 0.535 93 Q N -0.602 119.251 119.800 0.088 0.000 2.084 93 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 93 Q C 2.476 178.534 176.000 0.096 0.000 0.978 93 Q CA 1.108 56.955 55.803 0.075 0.000 0.844 93 Q CB -0.261 28.497 28.738 0.032 0.000 0.898 93 Q HN 0.414 nan 8.270 nan 0.000 0.426 94 L N 0.037 121.333 121.223 0.121 0.000 2.017 94 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 94 L C 1.920 178.912 176.870 0.204 0.000 1.073 94 L CA 1.769 56.695 54.840 0.143 0.000 0.745 94 L CB -0.628 41.530 42.059 0.166 0.000 0.894 94 L HN 0.393 nan 8.230 nan 0.000 0.432 95 W N 0.741 122.048 121.300 0.012 0.000 2.338 95 W HA -0.296 4.364 4.660 -0.000 0.000 0.304 95 W C 2.323 178.840 176.519 -0.004 0.000 1.212 95 W CA 1.594 58.941 57.345 0.004 0.000 1.264 95 W CB 0.081 29.553 29.460 0.020 0.000 1.142 95 W HN 0.526 nan 8.180 nan 0.000 0.512 96 E N -0.241 120.050 120.200 0.151 0.000 2.106 96 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 96 E C 1.831 178.416 176.600 -0.025 0.000 0.984 96 E CA 1.933 58.358 56.400 0.042 0.000 0.806 96 E CB -1.143 28.599 29.700 0.070 0.000 0.750 96 E HN -0.140 nan 8.360 nan 0.000 0.458 97 S N 0.264 115.958 115.700 -0.010 0.000 2.423 97 S HA 0.040 4.510 4.470 -0.000 0.000 0.231 97 S C 1.906 176.453 174.600 -0.088 0.000 1.014 97 S CA 0.818 58.997 58.200 -0.035 0.000 0.965 97 S CB -0.247 62.946 63.200 -0.012 0.000 0.785 97 S HN 0.542 nan 8.310 nan 0.000 0.495 98 A N 0.303 123.034 122.820 -0.148 0.000 2.208 98 A HA 0.486 4.806 4.320 -0.000 0.000 0.209 98 A C 1.556 178.961 177.584 -0.299 0.000 1.161 98 A CA 0.748 52.636 52.037 -0.249 0.000 0.782 98 A CB -0.601 18.164 19.000 -0.391 0.000 0.816 98 A HN 0.853 nan 8.150 nan 0.000 0.477 99 G N -1.365 107.288 108.800 -0.245 0.000 2.130 99 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.216 99 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.216 99 G C 0.405 175.145 174.900 -0.265 0.000 0.999 99 G CA 0.289 45.265 45.100 -0.206 0.000 0.686 99 G HN 1.291 nan 8.290 nan 0.000 0.515 100 S N -0.252 115.211 115.700 -0.395 0.000 3.628 100 S HA -0.145 4.325 4.470 -0.000 0.000 0.373 100 S C -1.109 173.210 174.600 -0.468 0.000 0.968 100 S CA 0.921 58.853 58.200 -0.447 0.000 1.215 100 S CB -0.983 62.174 63.200 -0.072 0.000 0.912 100 S HN 1.023 nan 8.310 nan 0.000 0.495 101 P HA 0.162 nan 4.420 nan 0.000 0.269 101 P C -0.180 177.030 177.300 -0.149 0.000 1.209 101 P CA 0.184 63.023 63.100 -0.435 0.000 0.776 101 P CB 0.539 31.909 31.700 -0.551 0.000 0.876 102 E N 1.589 121.764 120.200 -0.041 0.000 2.014 102 E HA 0.251 4.601 4.350 -0.000 0.000 0.275 102 E C 0.208 176.845 176.600 0.062 0.000 0.997 102 E CA -0.570 55.870 56.400 0.066 0.000 0.804 102 E CB 1.064 30.790 29.700 0.043 0.000 1.090 102 E HN 0.274 nan 8.360 nan 0.000 0.401 103 V N -0.382 119.609 119.914 0.129 0.000 2.975 103 V HA 0.395 4.515 4.120 -0.000 0.000 0.318 103 V C 0.265 176.448 176.094 0.148 0.000 1.077 103 V CA -1.168 61.211 62.300 0.131 0.000 1.000 103 V CB 1.909 33.780 31.823 0.079 0.000 1.066 103 V HN 0.302 nan 8.190 nan 0.000 0.452 104 D N 2.822 123.320 120.400 0.162 0.000 2.382 104 D HA 0.262 4.902 4.640 -0.000 0.000 0.259 104 D C -1.623 174.792 176.300 0.191 0.000 1.224 104 D CA -1.720 52.369 54.000 0.147 0.000 0.894 104 D CB 1.660 42.539 40.800 0.131 0.000 1.127 104 D HN 0.405 nan 8.370 nan 0.000 0.487 105 P HA -0.089 nan 4.420 nan 0.000 0.216 105 P C 0.388 177.787 177.300 0.166 0.000 1.150 105 P CA 0.869 64.099 63.100 0.216 0.000 0.837 105 P CB 0.290 32.068 31.700 0.130 0.000 0.786 106 D N -1.311 119.156 120.400 0.113 0.000 2.349 106 D HA -0.004 4.636 4.640 -0.000 0.000 0.224 106 D C 1.257 177.604 176.300 0.079 0.000 1.029 106 D CA 0.499 54.542 54.000 0.073 0.000 0.879 106 D CB -0.067 40.762 40.800 0.050 0.000 0.906 106 D HN 0.108 nan 8.370 nan 0.000 0.528 107 R N 0.068 120.642 120.500 0.123 0.000 2.543 107 R HA 0.146 4.486 4.340 -0.000 0.000 0.323 107 R C -0.337 176.068 176.300 0.174 0.000 1.002 107 R CA -0.448 55.720 56.100 0.112 0.000 1.106 107 R CB 0.135 30.496 30.300 0.103 0.000 1.280 107 R HN 0.018 nan 8.270 nan 0.000 0.549 108 F N 1.512 121.465 119.950 0.005 0.000 2.375 108 F HA 0.670 5.196 4.527 -0.000 0.000 0.361 108 F C -0.776 175.015 175.800 -0.015 0.000 1.117 108 F CA -2.303 55.700 58.000 0.005 0.000 1.037 108 F CB 0.983 40.007 39.000 0.040 0.000 1.192 108 F HN -0.011 nan 8.300 nan 0.000 0.452 109 A N 5.112 127.954 122.820 0.037 0.000 2.330 109 A HA 0.849 5.169 4.320 -0.000 0.000 0.329 109 A C -1.534 175.908 177.584 -0.236 0.000 1.135 109 A CA -0.677 51.267 52.037 -0.155 0.000 0.817 109 A CB 1.563 20.544 19.000 -0.032 0.000 1.269 109 A HN 0.538 nan 8.150 nan 0.000 0.469 110 V N 1.445 121.214 119.914 -0.243 0.000 2.487 110 V HA 0.509 4.629 4.120 -0.000 0.000 0.298 110 V C -0.832 175.215 176.094 -0.079 0.000 1.028 110 V CA -0.396 61.807 62.300 -0.161 0.000 0.860 110 V CB 1.683 33.365 31.823 -0.235 0.000 0.991 110 V HN 0.656 nan 8.190 nan 0.000 0.427 111 V N 5.545 125.448 119.914 -0.018 0.000 2.409 111 V HA 0.572 4.692 4.120 -0.000 0.000 0.290 111 V C -0.596 175.506 176.094 0.013 0.000 1.017 111 V CA -0.513 61.787 62.300 0.001 0.000 0.841 111 V CB 1.764 33.614 31.823 0.045 0.000 1.003 111 V HN 0.569 nan 8.190 nan 0.000 0.426 112 V N 3.760 123.672 119.914 -0.004 0.000 2.569 112 V HA 0.777 4.896 4.120 -0.000 0.000 0.301 112 V C 0.603 176.695 176.094 -0.002 0.000 1.044 112 V CA -0.261 62.040 62.300 0.001 0.000 0.874 112 V CB 2.010 33.826 31.823 -0.011 0.000 1.002 112 V HN 0.894 nan 8.190 nan 0.000 0.424 113 G N 1.924 110.729 108.800 0.008 0.000 2.462 113 G HA2 0.703 4.663 3.960 -0.000 0.000 0.319 113 G HA3 0.703 4.663 3.960 -0.000 0.000 0.319 113 G C -0.552 174.350 174.900 0.004 0.000 1.171 113 G CA -0.368 44.734 45.100 0.003 0.000 0.920 113 G HN 0.715 nan 8.290 nan 0.000 0.499 114 T N -1.808 112.747 114.554 0.002 0.000 2.840 114 T HA 0.502 4.852 4.350 -0.000 0.000 0.317 114 T C 1.218 175.923 174.700 0.009 0.000 1.401 114 T CA 0.506 62.611 62.100 0.009 0.000 1.028 114 T CB 1.238 70.114 68.868 0.013 0.000 1.317 114 T HN 0.770 nan 8.240 nan 0.000 0.495 115 G N 1.129 109.939 108.800 0.016 0.000 2.394 115 G HA2 0.109 4.068 3.960 -0.000 0.000 0.215 115 G HA3 0.109 4.068 3.960 -0.000 0.000 0.215 115 G C 1.002 175.921 174.900 0.031 0.000 1.165 115 G CA 1.205 46.320 45.100 0.026 0.000 0.784 115 G HN 0.492 nan 8.290 nan 0.000 0.535 116 L N -1.674 119.563 121.223 0.024 0.000 2.658 116 L HA 0.578 4.917 4.340 -0.000 0.000 0.201 116 L C 1.134 178.011 176.870 0.011 0.000 1.050 116 L CA 1.938 56.789 54.840 0.018 0.000 0.893 116 L CB 0.295 42.364 42.059 0.018 0.000 1.503 116 L HN 0.630 nan 8.230 nan 0.000 0.485 117 G N -0.922 107.887 108.800 0.015 0.000 2.337 117 G HA2 0.062 4.022 3.960 -0.000 0.000 0.197 117 G HA3 0.062 4.022 3.960 -0.000 0.000 0.197 117 G C 0.175 175.090 174.900 0.025 0.000 1.238 117 G CA -0.320 44.790 45.100 0.016 0.000 1.119 117 G HN 0.708 nan 8.290 nan 0.000 0.514 118 G N 0.436 109.249 108.800 0.023 0.000 3.401 118 G HA2 0.596 4.556 3.960 -0.000 0.000 0.251 118 G HA3 0.596 4.556 3.960 -0.000 0.000 0.251 118 G C 1.206 176.118 174.900 0.021 0.000 0.960 118 G CA 1.416 46.535 45.100 0.032 0.000 1.900 118 G HN 1.758 nan 8.290 nan 0.000 0.645 119 A N 1.206 124.032 122.820 0.009 0.000 2.015 119 A HA -0.039 4.281 4.320 -0.000 0.000 0.219 119 A C 2.262 179.841 177.584 -0.008 0.000 1.163 119 A CA 1.522 53.554 52.037 -0.008 0.000 0.646 119 A CB -0.048 18.940 19.000 -0.021 0.000 0.806 119 A HN 0.546 nan 8.150 nan 0.000 0.448 120 E N 0.228 120.427 120.200 -0.001 0.000 2.204 120 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 120 E C 1.495 178.110 176.600 0.025 0.000 0.990 120 E CA 0.942 57.345 56.400 0.005 0.000 0.821 120 E CB -0.408 29.296 29.700 0.008 0.000 0.750 120 E HN 0.425 nan 8.360 nan 0.000 0.477 121 R N 0.565 121.082 120.500 0.029 0.000 2.153 121 R HA 0.171 4.511 4.340 -0.000 0.000 0.218 121 R C 2.542 178.865 176.300 0.037 0.000 1.072 121 R CA 0.551 56.672 56.100 0.035 0.000 0.990 121 R CB -0.645 29.674 30.300 0.032 0.000 0.889 121 R HN 0.347 nan 8.270 nan 0.000 0.452 122 I N 0.826 121.411 120.570 0.024 0.000 2.142 122 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 122 I C 2.424 178.573 176.117 0.052 0.000 1.078 122 I CA 1.647 62.961 61.300 0.023 0.000 1.343 122 I CB -0.554 37.437 38.000 -0.015 0.000 1.046 122 I HN -0.029 nan 8.210 nan 0.000 0.405 123 V N -1.248 118.687 119.914 0.035 0.000 2.515 123 V HA -0.233 3.887 4.120 -0.000 0.000 0.250 123 V C 2.226 178.406 176.094 0.143 0.000 1.058 123 V CA 1.912 64.262 62.300 0.083 0.000 1.064 123 V CB -0.739 31.103 31.823 0.032 0.000 0.675 123 V HN 0.514 nan 8.190 nan 0.000 0.461 124 E N 0.877 121.131 120.200 0.091 0.000 2.051 124 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 124 E C 2.311 178.962 176.600 0.084 0.000 0.991 124 E CA 1.741 58.189 56.400 0.079 0.000 0.799 124 E CB -0.178 29.556 29.700 0.057 0.000 0.748 124 E HN 0.698 nan 8.360 nan 0.000 0.449 125 S N -0.161 115.591 115.700 0.087 0.000 2.368 125 S HA -0.181 4.289 4.470 -0.000 0.000 0.225 125 S C 1.570 176.235 174.600 0.108 0.000 1.030 125 S CA 1.240 59.487 58.200 0.079 0.000 0.999 125 S CB -0.526 62.716 63.200 0.070 0.000 0.844 125 S HN 0.435 nan 8.310 nan 0.000 0.459 126 Y N 2.626 122.929 120.300 0.006 0.000 2.053 126 Y HA -0.278 4.272 4.550 -0.000 0.000 0.277 126 Y C 2.133 178.039 175.900 0.009 0.000 1.159 126 Y CA 2.031 60.135 58.100 0.006 0.000 1.125 126 Y CB -0.323 38.140 38.460 0.004 0.000 0.969 126 Y HN 0.184 nan 8.280 nan 0.000 0.492 127 D N 0.166 120.572 120.400 0.009 0.000 2.104 127 D HA -0.186 4.453 4.640 -0.000 0.000 0.194 127 D C 2.167 178.422 176.300 -0.075 0.000 0.994 127 D CA 1.277 55.230 54.000 -0.079 0.000 0.830 127 D CB -0.428 40.390 40.800 0.031 0.000 0.959 127 D HN 0.281 nan 8.370 nan 0.000 0.452 128 L N 0.627 121.838 121.223 -0.020 0.000 2.012 128 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 128 L C 2.499 179.346 176.870 -0.037 0.000 1.073 128 L CA 1.368 56.197 54.840 -0.017 0.000 0.748 128 L CB -0.960 41.102 42.059 0.006 0.000 0.891 128 L HN 0.103 nan 8.230 nan 0.000 0.431 129 M N -1.023 118.550 119.600 -0.045 0.000 2.132 129 M HA -0.216 4.264 4.480 -0.000 0.000 0.263 129 M C 1.914 178.157 176.300 -0.095 0.000 1.065 129 M CA 1.485 56.752 55.300 -0.054 0.000 1.122 129 M CB -0.163 32.417 32.600 -0.034 0.000 1.365 129 M HN 0.279 nan 8.290 nan 0.000 0.411 130 N N 0.749 119.344 118.700 -0.175 0.000 2.205 130 N HA -0.112 4.628 4.740 -0.000 0.000 0.186 130 N C 1.507 176.948 175.510 -0.115 0.000 1.015 130 N CA 1.727 54.660 53.050 -0.196 0.000 0.862 130 N CB -0.347 37.935 38.487 -0.343 0.000 0.986 130 N HN 0.486 nan 8.380 nan 0.000 0.429 131 A N -0.751 122.016 122.820 -0.088 0.000 1.984 131 A HA 0.326 4.646 4.320 -0.000 0.000 0.214 131 A C 1.806 179.368 177.584 -0.037 0.000 1.173 131 A CA 1.285 53.290 52.037 -0.054 0.000 0.673 131 A CB -0.031 18.945 19.000 -0.040 0.000 0.830 131 A HN 0.331 nan 8.150 nan 0.000 0.453 132 G N -2.059 106.720 108.800 -0.035 0.000 4.000 132 G HA2 0.513 4.473 3.960 -0.000 0.000 0.260 132 G HA3 0.513 4.473 3.960 -0.000 0.000 0.260 132 G C 0.720 175.608 174.900 -0.020 0.000 1.047 132 G CA 0.606 45.693 45.100 -0.023 0.000 0.860 132 G HN 1.580 nan 8.290 nan 0.000 0.464 133 G N 0.796 109.579 108.800 -0.027 0.000 2.760 133 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.246 133 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.246 133 G C -1.323 173.569 174.900 -0.014 0.000 1.359 133 G CA -0.086 45.002 45.100 -0.021 0.000 0.861 133 G HN 0.109 nan 8.290 nan 0.000 0.541 134 P HA 0.024 nan 4.420 nan 0.000 0.233 134 P C 1.313 178.613 177.300 -0.000 0.000 1.167 134 P CA 0.813 63.912 63.100 -0.002 0.000 0.770 134 P CB 0.098 31.798 31.700 -0.000 0.000 0.837 135 R N -0.239 120.260 120.500 -0.002 0.000 2.310 135 R HA 0.097 4.436 4.340 -0.000 0.000 0.202 135 R C 1.207 177.507 176.300 0.000 0.000 0.933 135 R CA 0.323 56.423 56.100 -0.000 0.000 1.054 135 R CB 0.003 30.302 30.300 -0.001 0.000 0.985 135 R HN 0.002 nan 8.270 nan 0.000 0.489 136 K N 0.154 120.553 120.400 -0.001 0.000 2.426 136 K HA 0.111 4.430 4.320 -0.000 0.000 0.193 136 K C 0.158 176.762 176.600 0.006 0.000 1.028 136 K CA 0.213 56.500 56.287 0.001 0.000 1.047 136 K CB 0.533 33.031 32.500 -0.004 0.000 0.821 136 K HN -0.124 nan 8.250 nan 0.000 0.513 137 V N 1.224 121.142 119.914 0.007 0.000 2.498 137 V HA 0.155 4.275 4.120 -0.000 0.000 0.279 137 V C 0.424 176.525 176.094 0.012 0.000 1.048 137 V CA -0.763 61.545 62.300 0.013 0.000 0.967 137 V CB 1.441 33.273 31.823 0.015 0.000 0.988 137 V HN 0.116 nan 8.190 nan 0.000 0.473 138 S N 5.430 121.139 115.700 0.014 0.000 2.580 138 S HA 0.276 4.746 4.470 -0.000 0.000 0.274 138 S C -1.350 173.256 174.600 0.009 0.000 1.329 138 S CA -1.020 57.187 58.200 0.011 0.000 1.036 138 S CB 1.075 64.283 63.200 0.013 0.000 0.919 138 S HN 0.636 nan 8.310 nan 0.000 0.515 139 P HA 0.032 nan 4.420 nan 0.000 0.226 139 P C 0.481 177.783 177.300 0.004 0.000 1.146 139 P CA 0.945 64.047 63.100 0.004 0.000 0.773 139 P CB 0.037 31.738 31.700 0.003 0.000 0.772 140 L N -2.568 118.659 121.223 0.005 0.000 2.693 140 L HA 0.269 4.609 4.340 -0.000 0.000 0.235 140 L C 2.115 178.989 176.870 0.007 0.000 1.127 140 L CA 0.076 54.918 54.840 0.004 0.000 0.914 140 L CB -0.453 41.609 42.059 0.005 0.000 1.193 140 L HN -0.102 nan 8.230 nan 0.000 0.502 141 A N 0.463 123.289 122.820 0.010 0.000 1.908 141 A HA -0.149 4.170 4.320 -0.000 0.000 0.218 141 A C 2.247 179.837 177.584 0.011 0.000 1.181 141 A CA 1.900 53.946 52.037 0.014 0.000 0.627 141 A CB -0.554 18.457 19.000 0.019 0.000 0.818 141 A HN 0.173 nan 8.150 nan 0.000 0.445 142 V N 1.229 121.147 119.914 0.007 0.000 2.307 142 V HA -0.305 3.815 4.120 -0.000 0.000 0.245 142 V C 2.737 178.830 176.094 -0.001 0.000 1.045 142 V CA 2.096 64.398 62.300 0.003 0.000 1.024 142 V CB -1.104 30.720 31.823 0.000 0.000 0.651 142 V HN 0.894 nan 8.190 nan 0.000 0.449 143 Q N -0.493 119.305 119.800 -0.003 0.000 2.364 143 Q HA -0.138 4.202 4.340 -0.000 0.000 0.207 143 Q C 1.975 177.971 176.000 -0.006 0.000 0.970 143 Q CA 1.596 57.394 55.803 -0.008 0.000 0.888 143 Q CB -0.294 28.438 28.738 -0.011 0.000 0.951 143 Q HN 0.552 nan 8.270 nan 0.000 0.469 144 M N -0.080 119.520 119.600 0.001 0.000 2.447 144 M HA 0.088 4.568 4.480 -0.000 0.000 0.266 144 M C 1.945 178.251 176.300 0.010 0.000 1.120 144 M CA 0.771 56.075 55.300 0.007 0.000 1.166 144 M CB 0.153 32.761 32.600 0.014 0.000 1.349 144 M HN 0.176 nan 8.290 nan 0.000 0.463 145 I N 0.838 121.413 120.570 0.008 0.000 2.277 145 I HA -0.123 4.047 4.170 -0.000 0.000 0.243 145 I C 1.330 177.447 176.117 0.002 0.000 1.094 145 I CA 0.123 61.427 61.300 0.008 0.000 1.393 145 I CB -0.172 37.833 38.000 0.008 0.000 1.078 145 I HN 0.325 nan 8.210 nan 0.000 0.417 146 M N 1.977 121.575 119.600 -0.003 0.000 2.274 146 M HA -0.002 4.478 4.480 -0.000 0.000 0.377 146 M C -1.939 174.356 176.300 -0.009 0.000 1.428 146 M CA -0.666 54.629 55.300 -0.008 0.000 0.907 146 M CB -0.542 32.050 32.600 -0.013 0.000 1.974 146 M HN -0.202 nan 8.290 nan 0.000 0.479 147 P HA -0.178 nan 4.420 nan 0.000 0.219 147 P C 0.680 177.970 177.300 -0.017 0.000 1.146 147 P CA 1.564 64.658 63.100 -0.010 0.000 0.808 147 P CB -0.288 31.405 31.700 -0.011 0.000 0.779 148 N N -0.840 117.846 118.700 -0.024 0.000 2.521 148 N HA -0.016 4.724 4.740 -0.000 0.000 0.188 148 N C 1.737 177.227 175.510 -0.033 0.000 1.146 148 N CA 0.918 53.949 53.050 -0.032 0.000 0.893 148 N CB -1.224 37.239 38.487 -0.040 0.000 0.975 148 N HN 0.083 nan 8.380 nan 0.000 0.451 149 G N 1.130 109.915 108.800 -0.024 0.000 2.476 149 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.218 149 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.218 149 G C 1.669 176.550 174.900 -0.031 0.000 1.164 149 G CA 1.401 46.486 45.100 -0.025 0.000 0.768 149 G HN 0.537 nan 8.290 nan 0.000 0.560 150 A N 1.141 123.945 122.820 -0.027 0.000 1.873 150 A HA 0.292 4.612 4.320 -0.000 0.000 0.215 150 A C 2.852 180.409 177.584 -0.046 0.000 1.186 150 A CA 2.331 54.347 52.037 -0.034 0.000 0.616 150 A CB -0.895 18.092 19.000 -0.023 0.000 0.823 150 A HN 0.862 nan 8.150 nan 0.000 0.442 151 A N -0.159 122.633 122.820 -0.047 0.000 1.933 151 A HA 0.137 4.456 4.320 -0.000 0.000 0.218 151 A C 2.486 180.019 177.584 -0.084 0.000 1.175 151 A CA 2.164 54.163 52.037 -0.063 0.000 0.628 151 A CB -0.973 17.990 19.000 -0.060 0.000 0.814 151 A HN 1.058 nan 8.150 nan 0.000 0.444 152 A N -0.633 122.143 122.820 -0.073 0.000 1.898 152 A HA 0.029 4.349 4.320 -0.000 0.000 0.216 152 A C 2.232 179.766 177.584 -0.083 0.000 1.181 152 A CA 1.672 53.661 52.037 -0.080 0.000 0.620 152 A CB -0.920 18.043 19.000 -0.062 0.000 0.819 152 A HN 0.363 nan 8.150 nan 0.000 0.442 153 V N 0.424 120.296 119.914 -0.069 0.000 2.255 153 V HA -0.314 3.806 4.120 -0.000 0.000 0.247 153 V C 2.450 178.491 176.094 -0.088 0.000 1.051 153 V CA 2.282 64.541 62.300 -0.068 0.000 1.018 153 V CB -0.736 31.054 31.823 -0.055 0.000 0.641 153 V HN 0.599 nan 8.190 nan 0.000 0.445 154 I N 0.669 121.183 120.570 -0.093 0.000 2.163 154 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 154 I C 2.599 178.609 176.117 -0.178 0.000 1.085 154 I CA 1.820 63.050 61.300 -0.116 0.000 1.347 154 I CB -1.026 36.919 38.000 -0.092 0.000 1.044 154 I HN 0.410 nan 8.210 nan 0.000 0.408 155 G N 0.866 109.546 108.800 -0.199 0.000 2.432 155 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 155 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 155 G C 1.636 176.402 174.900 -0.223 0.000 1.135 155 G CA 0.497 45.431 45.100 -0.278 0.000 0.767 155 G HN 0.249 nan 8.290 nan 0.000 0.550 156 L N 0.276 121.407 121.223 -0.153 0.000 2.109 156 L HA 0.091 4.431 4.340 -0.000 0.000 0.207 156 L C 2.754 179.557 176.870 -0.112 0.000 1.086 156 L CA 2.126 56.897 54.840 -0.115 0.000 0.760 156 L CB -0.542 41.467 42.059 -0.084 0.000 0.910 156 L HN 0.413 nan 8.230 nan 0.000 0.437 157 Q N -0.749 118.977 119.800 -0.124 0.000 2.079 157 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 157 Q C 1.821 177.719 176.000 -0.170 0.000 0.974 157 Q CA 1.941 57.671 55.803 -0.121 0.000 0.840 157 Q CB -0.063 28.607 28.738 -0.113 0.000 0.898 157 Q HN 0.598 nan 8.270 nan 0.000 0.430 158 L N -1.431 119.650 121.223 -0.236 0.000 2.590 158 L HA 0.333 4.673 4.340 -0.000 0.000 0.227 158 L C 0.977 177.764 176.870 -0.138 0.000 1.099 158 L CA 0.356 54.981 54.840 -0.358 0.000 0.872 158 L CB 0.612 42.356 42.059 -0.525 0.000 1.088 158 L HN 0.481 nan 8.230 nan 0.000 0.479 159 G N 1.124 109.847 108.800 -0.129 0.000 2.203 159 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.231 159 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.231 159 G C 0.207 175.063 174.900 -0.073 0.000 1.058 159 G CA -0.084 44.985 45.100 -0.052 0.000 0.781 159 G HN 0.416 nan 8.290 nan 0.000 0.496 160 A N -0.015 122.574 122.820 -0.385 0.000 2.396 160 A HA 0.709 5.029 4.320 -0.000 0.000 0.279 160 A C 1.170 178.583 177.584 -0.285 0.000 1.165 160 A CA 0.181 51.830 52.037 -0.646 0.000 0.824 160 A CB 0.204 18.518 19.000 -1.143 0.000 1.100 160 A HN 0.529 nan 8.150 nan 0.000 0.516 161 R N 2.425 122.842 120.500 -0.138 0.000 2.508 161 R HA 0.208 4.548 4.340 -0.000 0.000 0.300 161 R C 0.910 177.177 176.300 -0.056 0.000 0.970 161 R CA 0.631 56.685 56.100 -0.076 0.000 1.102 161 R CB 0.779 31.064 30.300 -0.024 0.000 1.246 161 R HN 0.690 nan 8.270 nan 0.000 0.539 162 A N 1.148 123.929 122.820 -0.066 0.000 2.462 162 A HA 0.472 4.792 4.320 -0.000 0.000 0.261 162 A C 0.429 177.974 177.584 -0.065 0.000 1.323 162 A CA 0.210 52.224 52.037 -0.038 0.000 0.913 162 A CB 0.309 19.313 19.000 0.007 0.000 1.028 162 A HN 0.294 nan 8.150 nan 0.000 0.511 163 G N -1.367 107.375 108.800 -0.096 0.000 2.931 163 G HA2 0.262 4.222 3.960 -0.000 0.000 0.675 163 G HA3 0.262 4.222 3.960 -0.000 0.000 0.675 163 G C -1.171 173.653 174.900 -0.127 0.000 1.339 163 G CA -0.385 44.658 45.100 -0.094 0.000 0.866 163 G HN 0.801 nan 8.290 nan 0.000 0.616 164 V N 4.278 124.123 119.914 -0.115 0.000 2.443 164 V HA 0.790 4.910 4.120 -0.000 0.000 0.293 164 V C 0.329 176.367 176.094 -0.094 0.000 1.021 164 V CA -0.574 61.653 62.300 -0.122 0.000 0.848 164 V CB 1.724 33.467 31.823 -0.133 0.000 0.998 164 V HN 0.924 nan 8.190 nan 0.000 0.424 165 M N 3.675 123.223 119.600 -0.085 0.000 2.395 165 M HA 0.572 5.052 4.480 -0.000 0.000 0.307 165 M C -1.029 175.229 176.300 -0.069 0.000 1.091 165 M CA -0.194 55.056 55.300 -0.084 0.000 0.919 165 M CB 2.462 35.005 32.600 -0.096 0.000 1.662 165 M HN 0.603 nan 8.290 nan 0.000 0.440 166 T N 5.366 119.877 114.554 -0.072 0.000 2.977 166 T HA 0.474 4.824 4.350 -0.000 0.000 0.346 166 T C -2.608 172.053 174.700 -0.066 0.000 1.140 166 T CA -0.969 61.098 62.100 -0.054 0.000 1.040 166 T CB 0.708 69.549 68.868 -0.045 0.000 1.046 166 T HN 0.431 nan 8.240 nan 0.000 0.494 167 P HA 0.360 nan 4.420 nan 0.000 0.286 167 P C -0.466 176.808 177.300 -0.043 0.000 1.269 167 P CA -0.560 62.507 63.100 -0.057 0.000 0.787 167 P CB 0.923 32.641 31.700 0.030 0.000 0.920 168 V N 0.796 120.673 119.914 -0.063 0.000 2.347 168 V HA 0.658 4.778 4.120 -0.000 0.000 0.280 168 V C 0.391 176.400 176.094 -0.142 0.000 1.021 168 V CA -0.405 61.857 62.300 -0.064 0.000 0.847 168 V CB 1.007 32.811 31.823 -0.033 0.000 0.990 168 V HN 0.610 nan 8.190 nan 0.000 0.444 169 S N 2.803 118.409 115.700 -0.157 0.000 2.941 169 S HA 0.749 5.219 4.470 -0.000 0.000 0.248 169 S C 0.652 175.233 174.600 -0.031 0.000 0.962 169 S CA 0.428 58.436 58.200 -0.321 0.000 1.092 169 S CB 0.333 63.238 63.200 -0.491 0.000 1.113 169 S HN 2.538 nan 8.310 nan 0.000 0.512 170 A N 2.317 125.155 122.820 0.029 0.000 5.295 170 A HA -0.391 3.929 4.320 -0.000 0.000 0.313 170 A C 1.321 178.910 177.584 0.008 0.000 1.912 170 A CA 1.828 53.897 52.037 0.053 0.000 0.714 170 A CB -1.878 17.192 19.000 0.117 0.000 1.319 170 A HN 0.617 nan 8.150 nan 0.000 0.375 171 Q N 0.628 120.416 119.800 -0.020 0.000 2.488 171 Q HA 0.141 4.481 4.340 -0.000 0.000 0.211 171 Q C 1.947 177.972 176.000 0.042 0.000 0.967 171 Q CA 1.502 57.326 55.803 0.035 0.000 0.926 171 Q CB -0.117 28.674 28.738 0.088 0.000 0.992 171 Q HN 1.025 nan 8.270 nan 0.000 0.506 172 S N -1.995 113.689 115.700 -0.026 0.000 2.556 172 S HA 0.136 4.606 4.470 -0.000 0.000 0.216 172 S C 1.521 176.084 174.600 -0.061 0.000 0.970 172 S CA -0.047 58.098 58.200 -0.092 0.000 0.912 172 S CB 0.254 63.377 63.200 -0.128 0.000 0.790 172 S HN 0.103 nan 8.310 nan 0.000 0.504 173 S N 2.046 117.727 115.700 -0.032 0.000 2.400 173 S HA -0.024 4.446 4.470 -0.000 0.000 0.232 173 S C 2.040 176.636 174.600 -0.007 0.000 1.025 173 S CA 1.373 59.559 58.200 -0.025 0.000 0.993 173 S CB -0.915 62.277 63.200 -0.014 0.000 0.808 173 S HN 0.759 nan 8.310 nan 0.000 0.478 174 G N 0.961 109.759 108.800 -0.002 0.000 2.403 174 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.216 174 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.216 174 G C 1.534 176.437 174.900 0.005 0.000 1.154 174 G CA 0.877 45.982 45.100 0.009 0.000 0.784 174 G HN 0.531 nan 8.290 nan 0.000 0.538 175 S N -0.076 115.611 115.700 -0.021 0.000 2.387 175 S HA -0.024 4.446 4.470 -0.000 0.000 0.226 175 S C 2.051 176.617 174.600 -0.056 0.000 1.026 175 S CA 1.024 59.201 58.200 -0.038 0.000 0.972 175 S CB -0.057 63.088 63.200 -0.091 0.000 0.814 175 S HN 0.581 nan 8.310 nan 0.000 0.477 176 E N 1.244 121.411 120.200 -0.055 0.000 2.110 176 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 176 E C 2.146 178.769 176.600 0.038 0.000 0.988 176 E CA 0.863 57.230 56.400 -0.054 0.000 0.804 176 E CB -0.180 29.515 29.700 -0.009 0.000 0.745 176 E HN 0.471 nan 8.360 nan 0.000 0.458 177 A N 1.177 124.038 122.820 0.070 0.000 1.865 177 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 177 A C 2.134 179.770 177.584 0.087 0.000 1.191 177 A CA 1.550 53.645 52.037 0.097 0.000 0.623 177 A CB -0.718 18.315 19.000 0.055 0.000 0.826 177 A HN 0.307 nan 8.150 nan 0.000 0.444 178 I N -0.222 120.381 120.570 0.054 0.000 2.226 178 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 178 I C 2.972 179.111 176.117 0.036 0.000 1.100 178 I CA 1.019 62.356 61.300 0.060 0.000 1.374 178 I CB -0.398 37.647 38.000 0.073 0.000 1.057 178 I HN 0.372 nan 8.210 nan 0.000 0.413 179 A N 0.396 123.186 122.820 -0.049 0.000 1.865 179 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 179 A C 2.238 179.815 177.584 -0.013 0.000 1.191 179 A CA 1.771 53.744 52.037 -0.107 0.000 0.623 179 A CB -0.991 17.852 19.000 -0.262 0.000 0.826 179 A HN 0.430 nan 8.150 nan 0.000 0.444 180 H N -0.566 118.540 119.070 0.061 0.000 2.423 180 H HA 0.017 4.573 4.556 -0.000 0.000 0.297 180 H C 2.521 177.874 175.328 0.041 0.000 1.075 180 H CA 1.269 57.344 56.048 0.044 0.000 1.342 180 H CB -0.459 29.308 29.762 0.008 0.000 1.395 180 H HN 0.543 nan 8.280 nan 0.000 0.530 181 A N 0.764 123.684 122.820 0.168 0.000 1.902 181 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 181 A C 2.371 180.024 177.584 0.115 0.000 1.181 181 A CA 1.351 53.458 52.037 0.118 0.000 0.623 181 A CB -1.119 17.949 19.000 0.114 0.000 0.818 181 A HN 0.574 nan 8.150 nan 0.000 0.443 182 W N 0.867 122.132 121.300 -0.059 0.000 2.358 182 W HA -0.184 4.476 4.660 -0.000 0.000 0.303 182 W C 2.284 178.727 176.519 -0.127 0.000 1.208 182 W CA 1.974 59.254 57.345 -0.107 0.000 1.274 182 W CB -0.160 29.198 29.460 -0.171 0.000 1.138 182 W HN 0.243 nan 8.180 nan 0.000 0.515 183 R N -0.249 120.193 120.500 -0.097 0.000 2.081 183 R HA -0.226 4.114 4.340 -0.000 0.000 0.235 183 R C 2.190 178.338 176.300 -0.253 0.000 1.131 183 R CA 1.829 57.745 56.100 -0.308 0.000 0.960 183 R CB -0.768 29.508 30.300 -0.039 0.000 0.856 183 R HN 0.208 nan 8.270 nan 0.000 0.436 184 Q N 0.986 120.721 119.800 -0.108 0.000 2.124 184 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 184 Q C 1.779 177.709 176.000 -0.116 0.000 0.977 184 Q CA 1.528 57.285 55.803 -0.078 0.000 0.850 184 Q CB -0.038 28.686 28.738 -0.023 0.000 0.901 184 Q HN 0.358 nan 8.270 nan 0.000 0.429 185 I N -0.522 119.953 120.570 -0.159 0.000 2.235 185 I HA -0.189 3.981 4.170 -0.000 0.000 0.241 185 I C 2.113 178.096 176.117 -0.223 0.000 1.085 185 I CA 1.033 62.239 61.300 -0.155 0.000 1.378 185 I CB -0.382 37.547 38.000 -0.119 0.000 1.076 185 I HN 0.205 nan 8.210 nan 0.000 0.415 186 V N -1.607 118.041 119.914 -0.445 0.000 2.594 186 V HA -0.225 3.895 4.120 -0.000 0.000 0.253 186 V C 2.120 178.095 176.094 -0.199 0.000 1.069 186 V CA 1.556 63.599 62.300 -0.430 0.000 1.082 186 V CB -0.763 30.456 31.823 -1.007 0.000 0.680 186 V HN 0.379 nan 8.190 nan 0.000 0.469 187 M N 0.556 120.032 119.600 -0.206 0.000 2.595 187 M HA 0.280 4.760 4.480 -0.000 0.000 0.248 187 M C 1.601 177.869 176.300 -0.054 0.000 1.119 187 M CA 1.094 56.339 55.300 -0.091 0.000 1.079 187 M CB 0.143 32.690 32.600 -0.088 0.000 1.472 187 M HN 0.733 nan 8.290 nan 0.000 0.501 188 G N 0.481 109.244 108.800 -0.062 0.000 2.131 188 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.223 188 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.223 188 G C 0.266 175.152 174.900 -0.023 0.000 0.990 188 G CA 0.232 45.313 45.100 -0.031 0.000 0.671 188 G HN 0.453 nan 8.290 nan 0.000 0.521 189 D N 0.048 120.428 120.400 -0.034 0.000 2.271 189 D HA 0.390 5.029 4.640 -0.000 0.000 0.206 189 D C 1.375 177.669 176.300 -0.009 0.000 0.967 189 D CA 1.390 55.377 54.000 -0.022 0.000 0.867 189 D CB 0.528 41.311 40.800 -0.030 0.000 0.960 189 D HN 0.818 nan 8.370 nan 0.000 0.509 190 A N 0.157 122.969 122.820 -0.014 0.000 2.566 190 A HA 0.439 4.759 4.320 -0.000 0.000 0.292 190 A C -0.612 176.966 177.584 -0.010 0.000 1.112 190 A CA -0.597 51.445 52.037 0.007 0.000 0.707 190 A CB 1.656 20.670 19.000 0.023 0.000 1.302 190 A HN -0.222 nan 8.150 nan 0.000 0.409 191 D N -0.689 119.699 120.400 -0.020 0.000 2.479 191 D HA 0.244 4.884 4.640 -0.000 0.000 0.221 191 D C -0.270 175.904 176.300 -0.210 0.000 1.104 191 D CA 0.750 54.703 54.000 -0.078 0.000 0.849 191 D CB 1.497 42.281 40.800 -0.027 0.000 1.072 191 D HN 0.347 nan 8.370 nan 0.000 0.502 192 V N 0.199 120.021 119.914 -0.153 0.000 2.808 192 V HA 0.765 4.885 4.120 -0.000 0.000 0.308 192 V C -1.885 174.305 176.094 0.160 0.000 1.099 192 V CA -0.617 61.601 62.300 -0.136 0.000 0.920 192 V CB 1.943 33.529 31.823 -0.396 0.000 1.014 192 V HN 0.082 nan 8.190 nan 0.000 0.425 193 A N 5.207 128.140 122.820 0.187 0.000 2.488 193 A HA 0.803 5.123 4.320 -0.000 0.000 0.298 193 A C -1.284 176.479 177.584 0.298 0.000 1.044 193 A CA -0.498 51.707 52.037 0.281 0.000 0.693 193 A CB 2.015 21.102 19.000 0.145 0.000 1.272 193 A HN 1.140 nan 8.150 nan 0.000 0.402 194 V N 1.624 121.760 119.914 0.371 0.000 2.461 194 V HA 0.493 4.613 4.120 -0.000 0.000 0.275 194 V C 0.199 176.369 176.094 0.127 0.000 1.047 194 V CA -0.000 62.452 62.300 0.254 0.000 0.955 194 V CB 0.224 32.210 31.823 0.271 0.000 0.988 194 V HN 1.346 nan 8.190 nan 0.000 0.471 195 C N 2.698 122.064 119.300 0.110 0.000 3.082 195 C HA 1.069 5.529 4.460 -0.000 0.000 0.324 195 C C 0.230 175.261 174.990 0.069 0.000 1.210 195 C CA -0.011 59.054 59.018 0.080 0.000 1.366 195 C CB 1.009 28.804 27.740 0.092 0.000 1.756 195 C HN 1.370 nan 8.230 nan 0.000 0.485 196 G N 0.365 109.195 108.800 0.051 0.000 2.441 196 G HA2 0.708 4.668 3.960 -0.000 0.000 0.222 196 G HA3 0.708 4.668 3.960 -0.000 0.000 0.222 196 G C -0.613 174.304 174.900 0.029 0.000 1.254 196 G CA 0.354 45.479 45.100 0.041 0.000 0.959 196 G HN 2.324 nan 8.290 nan 0.000 0.474 197 G N -1.200 107.614 108.800 0.024 0.000 2.742 197 G HA2 0.836 4.796 3.960 -0.000 0.000 0.296 197 G HA3 0.836 4.796 3.960 -0.000 0.000 0.296 197 G C -0.878 174.034 174.900 0.021 0.000 1.436 197 G CA 0.545 45.657 45.100 0.020 0.000 0.928 197 G HN 1.924 nan 8.290 nan 0.000 0.520 198 V N -1.789 118.138 119.914 0.022 0.000 3.074 198 V HA 1.023 5.143 4.120 -0.000 0.000 0.314 198 V C -0.853 175.269 176.094 0.046 0.000 1.117 198 V CA -1.175 61.144 62.300 0.031 0.000 1.014 198 V CB 2.055 33.887 31.823 0.015 0.000 1.057 198 V HN 0.909 nan 8.190 nan 0.000 0.438 199 E N 0.117 120.365 120.200 0.080 0.000 2.407 199 E HA 0.665 5.015 4.350 -0.000 0.000 0.279 199 E C -0.108 176.580 176.600 0.147 0.000 1.012 199 E CA 0.238 56.682 56.400 0.074 0.000 0.800 199 E CB 1.819 31.534 29.700 0.026 0.000 1.276 199 E HN 1.257 nan 8.360 nan 0.000 0.452 200 G N 1.770 110.603 108.800 0.054 0.000 2.651 200 G HA2 0.468 4.428 3.960 -0.000 0.000 0.260 200 G HA3 0.468 4.428 3.960 -0.000 0.000 0.260 200 G C -2.106 172.637 174.900 -0.261 0.000 1.216 200 G CA -0.847 44.200 45.100 -0.088 0.000 0.913 200 G HN 0.443 nan 8.290 nan 0.000 0.535 201 P HA 0.243 nan 4.420 nan 0.000 0.276 201 P C 0.064 177.217 177.300 -0.245 0.000 1.261 201 P CA -0.485 62.413 63.100 -0.336 0.000 0.800 201 P CB 0.983 32.425 31.700 -0.429 0.000 1.066 202 I N 1.013 121.517 120.570 -0.111 0.000 2.668 202 I HA 0.036 4.206 4.170 -0.000 0.000 0.285 202 I C 1.184 177.308 176.117 0.012 0.000 1.168 202 I CA 1.032 62.268 61.300 -0.106 0.000 1.424 202 I CB -0.170 37.855 38.000 0.043 0.000 1.377 202 I HN 0.242 nan 8.210 nan 0.000 0.560 203 E N 3.601 123.696 120.200 -0.175 0.000 2.429 203 E HA 0.456 4.806 4.350 -0.000 0.000 0.276 203 E C 0.293 176.534 176.600 -0.599 0.000 0.953 203 E CA -0.543 55.642 56.400 -0.357 0.000 0.787 203 E CB 1.999 31.539 29.700 -0.266 0.000 1.307 203 E HN 0.521 nan 8.360 nan 0.000 0.458 204 A N 1.259 123.465 122.820 -1.023 0.000 1.908 204 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 204 A C 1.860 179.072 177.584 -0.621 0.000 1.181 204 A CA 1.637 53.068 52.037 -1.010 0.000 0.627 204 A CB -0.392 17.715 19.000 -1.488 0.000 0.818 204 A HN 0.422 nan 8.150 nan 0.000 0.445 205 L N 0.331 121.236 121.223 -0.531 0.000 2.027 205 L HA 0.002 4.342 4.340 -0.000 0.000 0.206 205 L C -0.767 176.019 176.870 -0.141 0.000 1.074 205 L CA 2.135 56.769 54.840 -0.342 0.000 0.745 205 L CB -1.351 40.530 42.059 -0.295 0.000 0.898 205 L HN 0.145 nan 8.230 nan 0.000 0.433 206 P HA -0.139 nan 4.420 nan 0.000 0.216 206 P C 2.112 179.662 177.300 0.417 0.000 1.150 206 P CA 1.612 64.821 63.100 0.181 0.000 0.837 206 P CB 0.008 31.747 31.700 0.066 0.000 0.786 207 I N -0.813 119.920 120.570 0.271 0.000 2.226 207 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 207 I C 2.312 178.507 176.117 0.129 0.000 1.100 207 I CA 1.387 62.856 61.300 0.281 0.000 1.374 207 I CB -0.696 37.399 38.000 0.157 0.000 1.057 207 I HN -0.087 nan 8.210 nan 0.000 0.413 208 A N 0.709 123.536 122.820 0.012 0.000 1.858 208 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 208 A C 2.553 180.140 177.584 0.005 0.000 1.190 208 A CA 1.934 53.956 52.037 -0.025 0.000 0.617 208 A CB -1.018 17.914 19.000 -0.114 0.000 0.827 208 A HN 0.416 nan 8.150 nan 0.000 0.443 209 A N -1.114 121.706 122.820 0.001 0.000 1.865 209 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 209 A C 1.994 179.550 177.584 -0.046 0.000 1.191 209 A CA 1.752 53.755 52.037 -0.055 0.000 0.623 209 A CB -0.852 18.073 19.000 -0.124 0.000 0.826 209 A HN 0.486 nan 8.150 nan 0.000 0.444 210 F N 1.042 121.053 119.950 0.102 0.000 2.259 210 F HA -0.122 4.404 4.527 -0.000 0.000 0.298 210 F C 2.865 178.666 175.800 0.003 0.000 1.088 210 F CA 1.557 59.633 58.000 0.127 0.000 1.358 210 F CB -0.152 38.979 39.000 0.218 0.000 1.040 210 F HN 0.341 nan 8.300 nan 0.000 0.505 211 S N -1.027 114.738 115.700 0.108 0.000 2.461 211 S HA -0.105 4.365 4.470 -0.000 0.000 0.228 211 S C 1.872 176.476 174.600 0.007 0.000 1.005 211 S CA 0.485 58.688 58.200 0.005 0.000 0.942 211 S CB -0.303 62.878 63.200 -0.032 0.000 0.776 211 S HN 0.138 nan 8.310 nan 0.000 0.514 212 M N 1.349 120.955 119.600 0.010 0.000 2.460 212 M HA 0.225 4.705 4.480 -0.000 0.000 0.263 212 M C 1.723 178.018 176.300 -0.009 0.000 1.071 212 M CA 0.985 56.281 55.300 -0.008 0.000 1.096 212 M CB -1.286 31.300 32.600 -0.024 0.000 1.408 212 M HN 0.439 nan 8.290 nan 0.000 0.463 213 M N -0.868 118.739 119.600 0.012 0.000 2.561 213 M HA 0.079 4.559 4.480 -0.000 0.000 0.238 213 M C -0.055 176.264 176.300 0.031 0.000 1.131 213 M CA 0.147 55.457 55.300 0.017 0.000 1.046 213 M CB 0.030 32.663 32.600 0.055 0.000 1.532 213 M HN 0.147 nan 8.290 nan 0.000 0.497 214 R N 0.020 120.530 120.500 0.018 0.000 3.267 214 R HA -0.195 4.144 4.340 -0.000 0.000 0.254 214 R C 0.446 176.748 176.300 0.002 0.000 0.993 214 R CA 0.294 56.390 56.100 -0.007 0.000 0.670 214 R CB -2.305 27.988 30.300 -0.011 0.000 1.125 214 R HN 0.545 nan 8.270 nan 0.000 0.434 215 A N -0.162 122.664 122.820 0.009 0.000 2.324 215 A HA 0.298 4.618 4.320 -0.000 0.000 0.220 215 A C 0.743 178.188 177.584 -0.233 0.000 1.209 215 A CA 0.068 52.141 52.037 0.060 0.000 0.918 215 A CB 0.511 19.740 19.000 0.382 0.000 0.959 215 A HN 0.241 nan 8.150 nan 0.000 0.507 216 M N 0.231 119.578 119.600 -0.422 0.000 2.472 216 M HA 0.345 4.825 4.480 -0.000 0.000 0.331 216 M C 0.199 176.276 176.300 -0.372 0.000 1.170 216 M CA -0.435 54.441 55.300 -0.707 0.000 1.009 216 M CB 1.780 33.901 32.600 -0.798 0.000 1.672 216 M HN 0.125 nan 8.290 nan 0.000 0.453 217 S N 0.685 116.179 115.700 -0.343 0.000 2.549 217 S HA 0.147 4.617 4.470 -0.000 0.000 0.283 217 S C 0.752 175.258 174.600 -0.158 0.000 1.320 217 S CA -0.292 57.792 58.200 -0.193 0.000 1.058 217 S CB 0.257 63.367 63.200 -0.150 0.000 0.882 217 S HN 0.797 nan 8.310 nan 0.000 0.498 218 T N 2.190 116.682 114.554 -0.103 0.000 3.215 218 T HA 0.306 4.656 4.350 -0.000 0.000 0.271 218 T C 0.504 175.175 174.700 -0.048 0.000 1.012 218 T CA -0.442 61.615 62.100 -0.072 0.000 0.899 218 T CB -0.219 68.616 68.868 -0.056 0.000 1.089 218 T HN 0.583 nan 8.240 nan 0.000 0.552 219 R N 1.768 122.237 120.500 -0.051 0.000 4.154 219 R HA 0.244 4.584 4.340 -0.000 0.000 0.186 219 R C 0.474 176.758 176.300 -0.027 0.000 1.750 219 R CA -0.055 56.025 56.100 -0.034 0.000 1.431 219 R CB -0.718 29.563 30.300 -0.032 0.000 1.383 219 R HN 0.522 nan 8.270 nan 0.000 0.788 220 N N 0.269 118.957 118.700 -0.021 0.000 2.396 220 N HA -0.155 4.585 4.740 -0.000 0.000 0.180 220 N C 0.785 176.294 175.510 -0.001 0.000 1.028 220 N CA 0.951 53.994 53.050 -0.011 0.000 0.893 220 N CB 0.201 38.686 38.487 -0.002 0.000 0.967 220 N HN 0.520 nan 8.380 nan 0.000 0.440 221 D N 0.890 121.289 120.400 -0.001 0.000 2.234 221 D HA -0.103 4.537 4.640 -0.000 0.000 0.205 221 D C -0.004 176.299 176.300 0.006 0.000 0.962 221 D CA 0.941 54.943 54.000 0.004 0.000 0.855 221 D CB -0.138 40.663 40.800 0.002 0.000 0.951 221 D HN 0.320 nan 8.370 nan 0.000 0.500 222 E N 0.754 120.955 120.200 0.002 0.000 3.037 222 E HA 0.213 4.563 4.350 -0.000 0.000 0.220 222 E C -2.146 174.456 176.600 0.003 0.000 1.142 222 E CA -1.745 54.659 56.400 0.006 0.000 0.888 222 E CB 1.907 31.609 29.700 0.004 0.000 1.329 222 E HN -0.027 nan 8.360 nan 0.000 0.409 223 P HA -0.248 nan 4.420 nan 0.000 0.215 223 P C 0.865 178.165 177.300 -0.000 0.000 1.157 223 P CA 1.359 64.457 63.100 -0.003 0.000 0.874 223 P CB 0.255 31.962 31.700 0.012 0.000 0.790 224 E N -0.698 119.513 120.200 0.017 0.000 2.333 224 E HA -0.156 4.194 4.350 -0.000 0.000 0.198 224 E C 1.642 178.252 176.600 0.016 0.000 1.007 224 E CA 0.686 57.098 56.400 0.021 0.000 0.845 224 E CB -0.332 29.387 29.700 0.032 0.000 0.766 224 E HN 0.384 nan 8.360 nan 0.000 0.507 225 R N -0.183 120.323 120.500 0.010 0.000 2.362 225 R HA 0.233 4.573 4.340 -0.000 0.000 0.227 225 R C 1.904 178.203 176.300 -0.001 0.000 0.905 225 R CA 0.369 56.475 56.100 0.009 0.000 1.067 225 R CB 0.380 30.685 30.300 0.008 0.000 1.078 225 R HN 0.030 nan 8.270 nan 0.000 0.516 226 A N 1.120 123.933 122.820 -0.012 0.000 1.854 226 A HA -0.053 4.267 4.320 -0.000 0.000 0.214 226 A C 1.400 178.966 177.584 -0.030 0.000 1.192 226 A CA 0.882 52.902 52.037 -0.029 0.000 0.611 226 A CB -0.138 18.834 19.000 -0.045 0.000 0.832 226 A HN 0.179 nan 8.150 nan 0.000 0.442 227 S N 0.668 116.354 115.700 -0.023 0.000 2.423 227 S HA 0.298 4.768 4.470 -0.000 0.000 0.302 227 S C 0.141 174.736 174.600 -0.007 0.000 1.143 227 S CA -0.458 57.728 58.200 -0.022 0.000 1.080 227 S CB -0.461 62.728 63.200 -0.019 0.000 1.081 227 S HN 0.379 nan 8.310 nan 0.000 0.522 228 R N 4.556 125.050 120.500 -0.010 0.000 3.026 228 R HA 0.259 4.599 4.340 -0.000 0.000 0.317 228 R C -2.806 173.503 176.300 0.015 0.000 1.278 228 R CA -1.803 54.311 56.100 0.023 0.000 1.407 228 R CB 0.580 30.893 30.300 0.021 0.000 1.368 228 R HN 0.411 nan 8.270 nan 0.000 0.612 229 P HA -0.042 nan 4.420 nan 0.000 0.265 229 P C -0.056 177.248 177.300 0.006 0.000 1.193 229 P CA 0.284 63.270 63.100 -0.191 0.000 0.765 229 P CB 0.180 31.732 31.700 -0.246 0.000 0.823 230 F N -1.277 118.740 119.950 0.111 0.000 2.890 230 F HA -0.277 4.250 4.527 -0.000 0.000 0.346 230 F C 0.783 176.740 175.800 0.262 0.000 0.660 230 F CA 1.315 59.427 58.000 0.186 0.000 1.091 230 F CB -2.402 36.709 39.000 0.185 0.000 1.535 230 F HN 0.280 nan 8.300 nan 0.000 0.314 231 D N 0.639 121.215 120.400 0.294 0.000 2.341 231 D HA 0.214 4.854 4.640 -0.000 0.000 0.245 231 D C 1.192 177.515 176.300 0.038 0.000 1.106 231 D CA 0.022 54.083 54.000 0.102 0.000 0.905 231 D CB 0.991 41.833 40.800 0.071 0.000 1.202 231 D HN 0.187 nan 8.370 nan 0.000 0.426 232 K N 1.583 121.973 120.400 -0.017 0.000 2.152 232 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 232 K C 0.000 176.595 176.600 -0.009 0.000 1.048 232 K CA 1.217 57.498 56.287 -0.010 0.000 0.933 232 K CB 0.174 32.655 32.500 -0.032 0.000 0.721 232 K HN 0.472 nan 8.250 nan 0.000 0.447 233 D N 1.171 121.562 120.400 -0.015 0.000 2.427 233 D HA -0.000 4.640 4.640 -0.000 0.000 0.224 233 D C -0.274 176.018 176.300 -0.014 0.000 1.157 233 D CA -0.041 53.950 54.000 -0.015 0.000 0.828 233 D CB 0.165 40.954 40.800 -0.019 0.000 0.974 233 D HN 0.357 nan 8.370 nan 0.000 0.498 234 R N 1.362 121.856 120.500 -0.011 0.000 2.594 234 R HA 0.172 4.512 4.340 -0.000 0.000 0.272 234 R C -0.082 176.202 176.300 -0.027 0.000 1.074 234 R CA 0.046 56.134 56.100 -0.020 0.000 1.105 234 R CB 0.474 30.758 30.300 -0.026 0.000 1.008 234 R HN -0.195 nan 8.270 nan 0.000 0.472 235 D N 0.903 121.280 120.400 -0.038 0.000 2.837 235 D HA 0.231 4.871 4.640 -0.000 0.000 0.340 235 D C 0.180 176.439 176.300 -0.068 0.000 1.451 235 D CA 0.005 53.978 54.000 -0.046 0.000 0.798 235 D CB 0.417 41.188 40.800 -0.048 0.000 1.169 235 D HN 0.920 nan 8.370 nan 0.000 0.449 236 G N 0.504 109.271 108.800 -0.055 0.000 2.479 236 G HA2 0.135 4.095 3.960 -0.000 0.000 0.686 236 G HA3 0.135 4.095 3.960 -0.000 0.000 0.686 236 G C -0.479 174.378 174.900 -0.073 0.000 1.295 236 G CA -0.675 44.387 45.100 -0.065 0.000 0.922 236 G HN 0.370 nan 8.290 nan 0.000 0.582 237 F N -0.761 119.123 119.950 -0.110 0.000 2.378 237 F HA 0.809 5.336 4.527 -0.000 0.000 0.319 237 F C 0.242 175.919 175.800 -0.206 0.000 1.155 237 F CA -1.259 56.658 58.000 -0.139 0.000 1.157 237 F CB 1.290 40.237 39.000 -0.088 0.000 1.252 237 F HN 0.449 nan 8.300 nan 0.000 0.550 238 V N 3.095 123.028 119.914 0.032 0.000 2.487 238 V HA 0.241 4.361 4.120 -0.000 0.000 0.298 238 V C -0.579 175.597 176.094 0.135 0.000 1.028 238 V CA -0.806 61.450 62.300 -0.073 0.000 0.860 238 V CB 1.143 32.939 31.823 -0.045 0.000 0.991 238 V HN 0.625 nan 8.190 nan 0.000 0.427 239 F N 3.037 123.031 119.950 0.073 0.000 2.608 239 F HA 0.480 5.007 4.527 -0.000 0.000 0.380 239 F C 1.122 176.914 175.800 -0.014 0.000 1.083 239 F CA 0.145 58.175 58.000 0.050 0.000 1.266 239 F CB 0.573 39.562 39.000 -0.019 0.000 1.076 239 F HN 0.539 nan 8.300 nan 0.000 0.574 240 G N 3.990 112.928 108.800 0.229 0.000 2.723 240 G HA2 0.438 4.398 3.960 -0.000 0.000 0.295 240 G HA3 0.438 4.398 3.960 -0.000 0.000 0.295 240 G C -1.073 173.878 174.900 0.085 0.000 1.464 240 G CA -0.768 44.392 45.100 0.101 0.000 1.012 240 G HN 0.521 nan 8.290 nan 0.000 0.522 241 E N 0.226 120.465 120.200 0.066 0.000 2.390 241 E HA 0.542 4.892 4.350 -0.000 0.000 0.261 241 E C 0.245 176.895 176.600 0.084 0.000 1.076 241 E CA 0.274 56.717 56.400 0.071 0.000 0.905 241 E CB 1.475 31.238 29.700 0.105 0.000 0.984 241 E HN 0.817 nan 8.360 nan 0.000 0.427 242 A N 1.062 123.930 122.820 0.081 0.000 2.581 242 A HA 0.635 4.955 4.320 -0.000 0.000 0.294 242 A C -0.956 176.667 177.584 0.064 0.000 1.035 242 A CA -0.198 51.880 52.037 0.069 0.000 0.684 242 A CB 1.600 20.634 19.000 0.057 0.000 1.282 242 A HN 0.625 nan 8.150 nan 0.000 0.417 243 G N -0.587 108.242 108.800 0.048 0.000 2.719 243 G HA2 0.949 4.909 3.960 -0.000 0.000 0.298 243 G HA3 0.949 4.909 3.960 -0.000 0.000 0.298 243 G C -0.769 174.144 174.900 0.022 0.000 1.411 243 G CA 0.329 45.449 45.100 0.033 0.000 0.991 243 G HN 2.191 nan 8.290 nan 0.000 0.509 244 A N 1.332 124.163 122.820 0.019 0.000 2.517 244 A HA 0.857 5.177 4.320 -0.000 0.000 0.297 244 A C -1.193 176.404 177.584 0.021 0.000 1.050 244 A CA -0.501 51.545 52.037 0.016 0.000 0.694 244 A CB 1.252 20.259 19.000 0.011 0.000 1.277 244 A HN 0.832 nan 8.150 nan 0.000 0.400 245 L N 1.986 123.223 121.223 0.025 0.000 2.350 245 L HA 0.854 5.194 4.340 -0.000 0.000 0.260 245 L C -0.197 176.699 176.870 0.044 0.000 1.015 245 L CA -0.755 54.110 54.840 0.042 0.000 0.821 245 L CB 2.366 44.459 42.059 0.056 0.000 1.370 245 L HN 0.969 nan 8.230 nan 0.000 0.416 246 M N 1.205 120.843 119.600 0.064 0.000 2.593 246 M HA 0.672 5.152 4.480 -0.000 0.000 0.290 246 M C -1.852 174.508 176.300 0.101 0.000 1.244 246 M CA -0.844 54.495 55.300 0.064 0.000 0.857 246 M CB 2.645 35.276 32.600 0.052 0.000 1.738 246 M HN 0.345 nan 8.290 nan 0.000 0.461 247 L N 3.852 125.128 121.223 0.088 0.000 2.287 247 L HA 0.730 5.070 4.340 -0.000 0.000 0.287 247 L C -1.003 175.912 176.870 0.075 0.000 1.022 247 L CA -0.614 54.288 54.840 0.104 0.000 0.814 247 L CB 1.293 43.396 42.059 0.074 0.000 1.217 247 L HN 0.808 nan 8.230 nan 0.000 0.420 248 I N 2.298 122.924 120.570 0.094 0.000 2.693 248 I HA 0.866 5.036 4.170 -0.000 0.000 0.303 248 I C -1.061 175.080 176.117 0.040 0.000 1.025 248 I CA -0.383 60.965 61.300 0.080 0.000 1.086 248 I CB 2.176 40.248 38.000 0.120 0.000 1.268 248 I HN 0.803 nan 8.210 nan 0.000 0.440 249 E N 2.115 122.330 120.200 0.024 0.000 2.416 249 E HA 0.289 4.639 4.350 -0.000 0.000 0.280 249 E C -1.131 175.484 176.600 0.026 0.000 1.055 249 E CA -1.001 55.380 56.400 -0.031 0.000 0.825 249 E CB 1.311 30.951 29.700 -0.100 0.000 1.312 249 E HN 0.763 nan 8.360 nan 0.000 0.452 250 T N -1.655 112.915 114.554 0.027 0.000 2.937 250 T HA -0.016 4.334 4.350 -0.000 0.000 0.316 250 T C 0.994 175.754 174.700 0.100 0.000 1.079 250 T CA 0.356 62.501 62.100 0.075 0.000 1.131 250 T CB 1.247 70.160 68.868 0.076 0.000 1.000 250 T HN 0.739 nan 8.240 nan 0.000 0.549 251 E N 0.924 121.185 120.200 0.102 0.000 2.118 251 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 251 E C 1.949 178.602 176.600 0.089 0.000 0.992 251 E CA 1.605 58.064 56.400 0.099 0.000 0.804 251 E CB -0.070 29.714 29.700 0.139 0.000 0.741 251 E HN 0.929 nan 8.360 nan 0.000 0.458 252 E N 0.019 120.274 120.200 0.092 0.000 2.033 252 E HA -0.309 4.041 4.350 -0.000 0.000 0.199 252 E C 2.209 178.850 176.600 0.069 0.000 1.011 252 E CA 1.528 57.972 56.400 0.073 0.000 0.815 252 E CB -0.350 29.393 29.700 0.073 0.000 0.755 252 E HN 0.419 nan 8.360 nan 0.000 0.451 253 H N -0.004 119.069 119.070 0.005 0.000 2.319 253 H HA -0.180 4.376 4.556 -0.000 0.000 0.297 253 H C 1.886 177.195 175.328 -0.032 0.000 1.097 253 H CA 2.030 58.071 56.048 -0.012 0.000 1.285 253 H CB -0.172 29.585 29.762 -0.009 0.000 1.368 253 H HN 0.328 nan 8.280 nan 0.000 0.495 254 A N 1.350 124.239 122.820 0.115 0.000 1.877 254 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 254 A C 2.459 180.022 177.584 -0.034 0.000 1.186 254 A CA 1.560 53.613 52.037 0.026 0.000 0.620 254 A CB -0.391 18.604 19.000 -0.009 0.000 0.822 254 A HN 0.211 nan 8.150 nan 0.000 0.443 255 K N 0.110 120.502 120.400 -0.014 0.000 2.009 255 K HA -0.115 4.204 4.320 -0.000 0.000 0.210 255 K C 2.214 178.788 176.600 -0.044 0.000 1.049 255 K CA 1.699 57.978 56.287 -0.014 0.000 0.929 255 K CB -0.933 31.578 32.500 0.018 0.000 0.714 255 K HN 0.385 nan 8.250 nan 0.000 0.440 256 A N 1.823 124.602 122.820 -0.068 0.000 1.948 256 A HA -0.213 4.106 4.320 -0.000 0.000 0.220 256 A C 1.960 179.472 177.584 -0.121 0.000 1.177 256 A CA 2.136 54.114 52.037 -0.098 0.000 0.636 256 A CB -0.490 18.429 19.000 -0.134 0.000 0.815 256 A HN 0.547 nan 8.150 nan 0.000 0.449 257 R N -1.275 119.136 120.500 -0.150 0.000 2.334 257 R HA 0.334 4.674 4.340 -0.000 0.000 0.220 257 R C 1.041 177.281 176.300 -0.100 0.000 0.917 257 R CA 0.735 56.752 56.100 -0.138 0.000 1.073 257 R CB -0.646 29.548 30.300 -0.177 0.000 1.056 257 R HN 0.795 nan 8.270 nan 0.000 0.506 258 G N 0.662 109.416 108.800 -0.078 0.000 2.179 258 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.257 258 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.257 258 G C 0.261 175.117 174.900 -0.072 0.000 1.010 258 G CA 0.216 45.279 45.100 -0.062 0.000 0.736 258 G HN 0.704 nan 8.290 nan 0.000 0.513 259 A N -0.313 122.456 122.820 -0.086 0.000 2.450 259 A HA 0.628 4.948 4.320 -0.000 0.000 0.255 259 A C 0.591 178.105 177.584 -0.117 0.000 1.096 259 A CA 0.690 52.666 52.037 -0.101 0.000 0.778 259 A CB 0.483 19.421 19.000 -0.103 0.000 1.031 259 A HN 1.017 nan 8.150 nan 0.000 0.494 260 K N 4.182 124.512 120.400 -0.118 0.000 2.262 260 K HA 0.494 4.814 4.320 -0.000 0.000 0.282 260 K C -2.807 173.657 176.600 -0.226 0.000 1.066 260 K CA -1.687 54.507 56.287 -0.154 0.000 0.901 260 K CB 0.543 32.997 32.500 -0.076 0.000 1.089 260 K HN 0.353 nan 8.250 nan 0.000 0.476 261 P HA 0.029 nan 4.420 nan 0.000 0.269 261 P C -0.031 177.113 177.300 -0.259 0.000 1.209 261 P CA -0.227 62.612 63.100 -0.435 0.000 0.776 261 P CB 0.616 31.786 31.700 -0.883 0.000 0.876 262 L N 0.413 121.558 121.223 -0.130 0.000 2.416 262 L HA 0.455 4.795 4.340 -0.000 0.000 0.216 262 L C 0.981 177.847 176.870 -0.007 0.000 1.098 262 L CA 0.422 55.222 54.840 -0.066 0.000 0.840 262 L CB -0.384 41.620 42.059 -0.092 0.000 0.981 262 L HN 0.428 nan 8.230 nan 0.000 0.462 263 A N 0.056 122.895 122.820 0.032 0.000 2.483 263 A HA 0.639 4.958 4.320 -0.000 0.000 0.294 263 A C -1.225 176.476 177.584 0.196 0.000 1.077 263 A CA -0.726 51.391 52.037 0.133 0.000 0.633 263 A CB 1.049 20.101 19.000 0.087 0.000 1.318 263 A HN 0.061 nan 8.150 nan 0.000 0.455 264 R N -0.342 120.315 120.500 0.262 0.000 2.445 264 R HA 0.574 4.914 4.340 -0.000 0.000 0.308 264 R C -1.396 175.034 176.300 0.216 0.000 0.961 264 R CA -0.744 55.501 56.100 0.242 0.000 0.862 264 R CB 1.825 32.269 30.300 0.241 0.000 1.144 264 R HN 0.524 nan 8.270 nan 0.000 0.447 265 L N 4.984 126.265 121.223 0.098 0.000 2.264 265 L HA 0.267 4.607 4.340 -0.000 0.000 0.287 265 L C -0.115 176.605 176.870 -0.250 0.000 1.039 265 L CA 0.285 54.985 54.840 -0.233 0.000 0.829 265 L CB 0.878 42.822 42.059 -0.191 0.000 1.211 265 L HN 0.755 nan 8.230 nan 0.000 0.427 266 L N 4.498 125.482 121.223 -0.398 0.000 2.515 266 L HA 0.583 4.923 4.340 -0.000 0.000 0.223 266 L C 0.941 177.500 176.870 -0.518 0.000 1.079 266 L CA 0.360 55.058 54.840 -0.237 0.000 0.857 266 L CB 0.016 42.015 42.059 -0.099 0.000 1.050 266 L HN 0.778 nan 8.230 nan 0.000 0.476 267 G N -0.371 107.789 108.800 -1.068 0.000 2.368 267 G HA2 0.629 4.589 3.960 -0.000 0.000 0.293 267 G HA3 0.629 4.589 3.960 -0.000 0.000 0.293 267 G C -2.211 171.953 174.900 -1.227 0.000 1.467 267 G CA 0.075 44.324 45.100 -1.419 0.000 0.804 267 G HN 0.030 nan 8.290 nan 0.000 0.535 268 A N -0.956 121.254 122.820 -1.016 0.000 2.488 268 A HA 0.934 5.254 4.320 -0.000 0.000 0.295 268 A C -0.178 177.230 177.584 -0.294 0.000 1.045 268 A CA 0.131 51.821 52.037 -0.578 0.000 0.703 268 A CB 1.777 20.482 19.000 -0.492 0.000 1.271 268 A HN 2.191 nan 8.150 nan 0.000 0.400 269 G N 0.790 109.462 108.800 -0.214 0.000 2.566 269 G HA2 0.630 4.590 3.960 -0.000 0.000 0.311 269 G HA3 0.630 4.590 3.960 -0.000 0.000 0.311 269 G C -1.042 173.798 174.900 -0.101 0.000 1.322 269 G CA -0.465 44.565 45.100 -0.117 0.000 0.969 269 G HN 0.678 nan 8.290 nan 0.000 0.490 270 I N 2.171 122.706 120.570 -0.058 0.000 2.447 270 I HA 0.466 4.636 4.170 -0.000 0.000 0.287 270 I C 0.343 176.474 176.117 0.024 0.000 1.023 270 I CA -0.635 60.647 61.300 -0.030 0.000 1.083 270 I CB 2.404 40.376 38.000 -0.047 0.000 1.245 270 I HN 0.655 nan 8.210 nan 0.000 0.434 271 T N 1.572 116.157 114.554 0.052 0.000 2.742 271 T HA 0.815 5.165 4.350 -0.000 0.000 0.282 271 T C -0.324 174.438 174.700 0.105 0.000 1.025 271 T CA -0.725 61.418 62.100 0.072 0.000 1.020 271 T CB 1.990 70.896 68.868 0.064 0.000 1.317 271 T HN 0.547 nan 8.240 nan 0.000 0.538 272 S N -0.697 115.059 115.700 0.093 0.000 2.595 272 S HA 0.547 5.017 4.470 -0.000 0.000 0.281 272 S C -0.427 174.215 174.600 0.071 0.000 1.117 272 S CA -0.795 57.457 58.200 0.087 0.000 0.873 272 S CB 1.823 65.070 63.200 0.078 0.000 1.108 272 S HN 0.626 nan 8.310 nan 0.000 0.477 273 D N 1.042 121.483 120.400 0.069 0.000 2.271 273 D HA 0.253 4.892 4.640 -0.000 0.000 0.206 273 D C 1.259 177.629 176.300 0.117 0.000 0.967 273 D CA 1.276 55.330 54.000 0.090 0.000 0.867 273 D CB -0.493 40.383 40.800 0.127 0.000 0.960 273 D HN 1.061 nan 8.370 nan 0.000 0.509 274 A N -0.004 122.869 122.820 0.088 0.000 2.311 274 A HA -0.253 4.066 4.320 -0.000 0.000 0.284 274 A C 0.657 178.332 177.584 0.151 0.000 1.409 274 A CA 0.952 53.037 52.037 0.080 0.000 0.764 274 A CB -2.004 17.030 19.000 0.057 0.000 1.095 274 A HN 0.404 nan 8.150 nan 0.000 0.369 275 F N -0.714 119.240 119.950 0.007 0.000 2.423 275 F HA 0.401 4.928 4.527 -0.000 0.000 0.269 275 F C 0.732 176.578 175.800 0.077 0.000 0.880 275 F CA 1.090 59.111 58.000 0.034 0.000 1.134 275 F CB 0.552 39.573 39.000 0.036 0.000 1.143 275 F HN 0.572 nan 8.300 nan 0.000 0.802 276 H N 0.522 119.462 119.070 -0.216 0.000 3.046 276 H HA 0.312 4.868 4.556 -0.000 0.000 0.361 276 H C 0.548 175.810 175.328 -0.110 0.000 1.235 276 H CA -0.453 55.408 56.048 -0.312 0.000 1.146 276 H CB 1.989 31.492 29.762 -0.432 0.000 1.859 276 H HN 0.047 nan 8.280 nan 0.000 0.548 277 M N 2.445 121.902 119.600 -0.238 0.000 2.213 277 M HA -0.087 4.392 4.480 -0.000 0.000 0.263 277 M C 1.464 177.759 176.300 -0.010 0.000 1.062 277 M CA 1.441 56.675 55.300 -0.110 0.000 1.105 277 M CB -0.308 32.176 32.600 -0.193 0.000 1.385 277 M HN 0.466 nan 8.290 nan 0.000 0.417 278 V N -3.967 116.001 119.914 0.090 0.000 3.261 278 V HA 0.691 4.811 4.120 -0.000 0.000 0.330 278 V C -0.022 176.042 176.094 -0.050 0.000 1.461 278 V CA -0.277 61.865 62.300 -0.262 0.000 1.127 278 V CB -0.394 30.991 31.823 -0.730 0.000 1.044 278 V HN 0.143 nan 8.190 nan 0.000 0.499 279 A N 1.538 124.431 122.820 0.121 0.000 2.398 279 A HA 0.944 5.264 4.320 -0.000 0.000 0.301 279 A C -3.185 174.561 177.584 0.269 0.000 1.041 279 A CA -1.662 50.437 52.037 0.104 0.000 0.711 279 A CB 1.696 20.628 19.000 -0.113 0.000 1.240 279 A HN 0.176 nan 8.150 nan 0.000 0.420 280 P HA 0.348 nan 4.420 nan 0.000 0.271 280 P C 0.141 177.362 177.300 -0.132 0.000 1.218 280 P CA 0.115 63.242 63.100 0.044 0.000 0.780 280 P CB 0.939 32.589 31.700 -0.083 0.000 0.901 281 A N 2.887 125.485 122.820 -0.370 0.000 2.567 281 A HA 0.263 4.583 4.320 -0.000 0.000 0.240 281 A C 1.716 178.980 177.584 -0.533 0.000 1.053 281 A CA 0.435 51.910 52.037 -0.937 0.000 0.755 281 A CB -0.485 18.157 19.000 -0.596 0.000 0.978 281 A HN 0.622 nan 8.150 nan 0.000 0.507 282 A N 2.362 124.869 122.820 -0.522 0.000 2.019 282 A HA -0.111 4.209 4.320 -0.000 0.000 0.219 282 A C 1.540 179.006 177.584 -0.196 0.000 1.164 282 A CA 1.789 53.672 52.037 -0.256 0.000 0.644 282 A CB -0.473 18.422 19.000 -0.173 0.000 0.805 282 A HN 0.942 nan 8.150 nan 0.000 0.449 283 D N -1.437 118.831 120.400 -0.220 0.000 2.371 283 D HA 0.158 4.798 4.640 -0.000 0.000 0.221 283 D C 1.300 177.530 176.300 -0.117 0.000 0.986 283 D CA 0.936 54.852 54.000 -0.140 0.000 0.899 283 D CB -0.969 39.758 40.800 -0.122 0.000 0.902 283 D HN 0.690 nan 8.370 nan 0.000 0.530 284 G N -0.110 108.601 108.800 -0.148 0.000 2.200 284 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.267 284 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.267 284 G C 1.134 175.989 174.900 -0.074 0.000 0.993 284 G CA 0.743 45.769 45.100 -0.123 0.000 0.701 284 G HN 0.381 nan 8.290 nan 0.000 0.524 285 V N 0.197 120.069 119.914 -0.070 0.000 2.270 285 V HA -0.143 3.977 4.120 -0.000 0.000 0.245 285 V C 2.947 179.035 176.094 -0.009 0.000 1.043 285 V CA 2.429 64.709 62.300 -0.034 0.000 1.014 285 V CB -0.378 31.425 31.823 -0.034 0.000 0.645 285 V HN 0.421 nan 8.190 nan 0.000 0.447 286 R N 0.408 120.903 120.500 -0.008 0.000 2.075 286 R HA 0.015 4.355 4.340 -0.000 0.000 0.232 286 R C 2.398 178.734 176.300 0.060 0.000 1.126 286 R CA 1.512 57.628 56.100 0.026 0.000 0.963 286 R CB -1.501 28.819 30.300 0.033 0.000 0.858 286 R HN 0.510 nan 8.270 nan 0.000 0.435 287 A N 0.732 123.591 122.820 0.064 0.000 1.892 287 A HA -0.151 4.168 4.320 -0.000 0.000 0.218 287 A C 2.437 180.120 177.584 0.166 0.000 1.188 287 A CA 2.171 54.317 52.037 0.181 0.000 0.631 287 A CB -1.275 17.726 19.000 0.002 0.000 0.822 287 A HN 0.435 nan 8.150 nan 0.000 0.447 288 G N -0.836 108.008 108.800 0.073 0.000 2.422 288 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.218 288 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.218 288 G C 1.669 176.594 174.900 0.041 0.000 1.146 288 G CA 1.257 46.389 45.100 0.053 0.000 0.769 288 G HN 0.544 nan 8.290 nan 0.000 0.547 289 R N 1.168 121.689 120.500 0.036 0.000 2.148 289 R HA 0.180 4.520 4.340 -0.000 0.000 0.227 289 R C 2.636 178.950 176.300 0.023 0.000 1.103 289 R CA 1.563 57.678 56.100 0.026 0.000 0.983 289 R CB -0.727 29.588 30.300 0.025 0.000 0.874 289 R HN 0.225 nan 8.270 nan 0.000 0.451 290 A N 0.384 123.227 122.820 0.038 0.000 1.902 290 A HA -0.167 4.152 4.320 -0.000 0.000 0.217 290 A C 2.195 179.765 177.584 -0.023 0.000 1.181 290 A CA 1.815 53.858 52.037 0.011 0.000 0.623 290 A CB -0.459 18.557 19.000 0.027 0.000 0.818 290 A HN 0.410 nan 8.150 nan 0.000 0.443 291 M N -0.940 118.660 119.600 -0.001 0.000 2.099 291 M HA -0.119 4.361 4.480 -0.000 0.000 0.262 291 M C 2.265 178.543 176.300 -0.037 0.000 1.067 291 M CA 1.962 57.247 55.300 -0.025 0.000 1.124 291 M CB -0.827 31.776 32.600 0.006 0.000 1.353 291 M HN 0.415 nan 8.290 nan 0.000 0.410 292 T N -0.064 114.480 114.554 -0.017 0.000 2.684 292 T HA -0.184 4.165 4.350 -0.000 0.000 0.267 292 T C 1.812 176.496 174.700 -0.026 0.000 1.036 292 T CA 1.589 63.678 62.100 -0.019 0.000 1.148 292 T CB -0.338 68.527 68.868 -0.004 0.000 0.863 292 T HN 0.206 nan 8.240 nan 0.000 0.436 293 R N 1.899 122.385 120.500 -0.023 0.000 2.083 293 R HA -0.097 4.243 4.340 -0.000 0.000 0.237 293 R C 2.652 178.916 176.300 -0.059 0.000 1.137 293 R CA 2.244 58.331 56.100 -0.022 0.000 0.951 293 R CB -1.111 29.182 30.300 -0.013 0.000 0.851 293 R HN 0.495 nan 8.270 nan 0.000 0.434 294 S N 0.011 115.645 115.700 -0.111 0.000 2.383 294 S HA -0.134 4.336 4.470 -0.000 0.000 0.229 294 S C 2.066 176.566 174.600 -0.165 0.000 1.030 294 S CA 1.461 59.543 58.200 -0.196 0.000 1.002 294 S CB -0.535 62.523 63.200 -0.238 0.000 0.829 294 S HN 0.395 nan 8.310 nan 0.000 0.467 295 L N 0.915 122.073 121.223 -0.108 0.000 2.072 295 L HA -0.030 4.310 4.340 -0.000 0.000 0.205 295 L C 2.969 179.805 176.870 -0.057 0.000 1.079 295 L CA 1.564 56.348 54.840 -0.093 0.000 0.752 295 L CB -0.776 41.239 42.059 -0.073 0.000 0.906 295 L HN 0.402 nan 8.230 nan 0.000 0.436 296 E N 0.661 120.845 120.200 -0.026 0.000 2.033 296 E HA -0.250 4.100 4.350 -0.000 0.000 0.199 296 E C 2.296 178.936 176.600 0.067 0.000 1.011 296 E CA 1.389 57.799 56.400 0.016 0.000 0.815 296 E CB -0.262 29.456 29.700 0.030 0.000 0.755 296 E HN 0.431 nan 8.360 nan 0.000 0.451 297 L N 0.352 121.630 121.223 0.090 0.000 2.201 297 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 297 L C 2.471 179.465 176.870 0.207 0.000 1.105 297 L CA 0.795 55.781 54.840 0.244 0.000 0.775 297 L CB -0.358 41.825 42.059 0.208 0.000 0.913 297 L HN 0.140 nan 8.230 nan 0.000 0.440 298 A N -0.277 122.549 122.820 0.010 0.000 2.016 298 A HA 0.180 4.500 4.320 -0.000 0.000 0.217 298 A C 1.803 179.393 177.584 0.010 0.000 1.162 298 A CA 0.984 53.010 52.037 -0.018 0.000 0.662 298 A CB -0.485 18.433 19.000 -0.135 0.000 0.812 298 A HN 0.509 nan 8.150 nan 0.000 0.450 299 G N -1.439 107.361 108.800 0.001 0.000 2.171 299 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.238 299 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.238 299 G C -0.114 174.731 174.900 -0.092 0.000 1.039 299 G CA 0.331 45.417 45.100 -0.022 0.000 0.759 299 G HN 0.452 nan 8.290 nan 0.000 0.501 300 L N -0.019 121.125 121.223 -0.131 0.000 2.322 300 L HA 0.770 5.110 4.340 -0.000 0.000 0.269 300 L C 0.577 177.377 176.870 -0.117 0.000 1.012 300 L CA -0.984 53.737 54.840 -0.198 0.000 0.815 300 L CB 2.047 43.926 42.059 -0.301 0.000 1.295 300 L HN 0.142 nan 8.230 nan 0.000 0.438 301 S N 0.509 116.148 115.700 -0.102 0.000 2.638 301 S HA 0.368 4.838 4.470 -0.000 0.000 0.298 301 S C -1.893 172.681 174.600 -0.043 0.000 1.111 301 S CA -1.102 57.066 58.200 -0.054 0.000 1.027 301 S CB 1.914 65.095 63.200 -0.032 0.000 1.064 301 S HN 0.407 nan 8.310 nan 0.000 0.525 302 P HA -0.054 nan 4.420 nan 0.000 0.218 302 P C 1.031 178.337 177.300 0.011 0.000 1.148 302 P CA 0.953 64.048 63.100 -0.008 0.000 0.822 302 P CB -0.012 31.686 31.700 -0.003 0.000 0.784 303 A N -0.143 122.685 122.820 0.013 0.000 2.070 303 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 303 A C 1.766 179.386 177.584 0.060 0.000 1.159 303 A CA 1.693 53.750 52.037 0.033 0.000 0.656 303 A CB -1.112 17.904 19.000 0.027 0.000 0.800 303 A HN 0.105 nan 8.150 nan 0.000 0.453 304 D N -0.027 120.402 120.400 0.049 0.000 2.277 304 D HA -0.000 4.640 4.640 -0.000 0.000 0.208 304 D C 0.464 176.890 176.300 0.209 0.000 0.962 304 D CA 0.383 54.451 54.000 0.113 0.000 0.865 304 D CB -0.121 40.647 40.800 -0.052 0.000 0.939 304 D HN 0.284 nan 8.370 nan 0.000 0.510 305 I N 2.376 123.022 120.570 0.127 0.000 2.421 305 I HA -0.011 4.159 4.170 -0.000 0.000 0.291 305 I C 0.960 177.169 176.117 0.154 0.000 1.089 305 I CA 0.111 61.499 61.300 0.147 0.000 1.354 305 I CB 0.575 38.617 38.000 0.069 0.000 1.413 305 I HN -0.179 nan 8.210 nan 0.000 0.513 306 D N 3.641 124.169 120.400 0.213 0.000 2.327 306 D HA -0.030 4.610 4.640 -0.000 0.000 0.205 306 D C 0.488 176.915 176.300 0.211 0.000 0.989 306 D CA 1.065 55.210 54.000 0.242 0.000 0.873 306 D CB 0.389 41.404 40.800 0.357 0.000 0.955 306 D HN 0.583 nan 8.370 nan 0.000 0.515 307 H N -0.266 118.815 119.070 0.019 0.000 2.947 307 H HA 0.418 4.974 4.556 -0.000 0.000 0.354 307 H C -1.707 173.604 175.328 -0.028 0.000 1.085 307 H CA -0.628 55.363 56.048 -0.095 0.000 1.253 307 H CB 1.351 30.942 29.762 -0.286 0.000 1.757 307 H HN -0.367 nan 8.280 nan 0.000 0.523 308 V N 5.494 125.122 119.914 -0.478 0.000 2.409 308 V HA 0.244 4.364 4.120 -0.000 0.000 0.291 308 V C 0.051 175.779 176.094 -0.610 0.000 1.020 308 V CA -1.005 61.032 62.300 -0.438 0.000 0.848 308 V CB 1.341 33.067 31.823 -0.162 0.000 0.990 308 V HN 0.808 nan 8.190 nan 0.000 0.430 309 N N 4.173 122.579 118.700 -0.489 0.000 2.521 309 N HA 0.369 5.109 4.740 -0.000 0.000 0.236 309 N C -0.047 175.427 175.510 -0.060 0.000 1.067 309 N CA -0.150 52.790 53.050 -0.182 0.000 0.939 309 N CB 1.561 40.022 38.487 -0.044 0.000 1.201 309 N HN 0.818 nan 8.380 nan 0.000 0.511 310 A N 2.757 125.582 122.820 0.008 0.000 2.388 310 A HA 0.101 4.421 4.320 -0.000 0.000 0.257 310 A C 1.156 178.813 177.584 0.121 0.000 1.095 310 A CA -0.243 51.879 52.037 0.141 0.000 0.791 310 A CB 0.262 19.448 19.000 0.310 0.000 1.029 310 A HN 0.882 nan 8.150 nan 0.000 0.489 311 H N 2.378 121.507 119.070 0.097 0.000 2.387 311 H HA 0.023 4.579 4.556 -0.000 0.000 0.299 311 H C 1.610 176.905 175.328 -0.055 0.000 1.090 311 H CA 1.591 57.653 56.048 0.024 0.000 1.332 311 H CB -0.391 29.501 29.762 0.216 0.000 1.386 311 H HN 1.150 nan 8.280 nan 0.000 0.516 312 G N 0.714 109.489 108.800 -0.042 0.000 2.142 312 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.255 312 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.255 312 G C 1.102 175.762 174.900 -0.399 0.000 0.803 312 G CA 0.918 45.819 45.100 -0.331 0.000 1.195 312 G HN 0.742 nan 8.290 nan 0.000 0.366 313 T N -1.740 112.594 114.554 -0.366 0.000 3.055 313 T HA 0.383 4.733 4.350 -0.000 0.000 0.265 313 T C 1.952 176.585 174.700 -0.112 0.000 1.111 313 T CA 1.444 63.383 62.100 -0.268 0.000 1.118 313 T CB 0.022 68.817 68.868 -0.120 0.000 0.909 313 T HN 2.335 nan 8.240 nan 0.000 0.501 314 A N 0.817 123.526 122.820 -0.186 0.000 3.080 314 A HA -0.133 4.187 4.320 -0.000 0.000 0.254 314 A C 0.837 178.388 177.584 -0.054 0.000 1.277 314 A CA 0.972 52.931 52.037 -0.130 0.000 1.065 314 A CB -2.928 16.025 19.000 -0.078 0.000 1.160 314 A HN 1.339 nan 8.150 nan 0.000 0.886 315 T N -2.882 111.664 114.554 -0.013 0.000 2.907 315 T HA 0.542 4.892 4.350 -0.000 0.000 0.298 315 T C -1.051 173.640 174.700 -0.015 0.000 1.017 315 T CA -1.006 61.111 62.100 0.029 0.000 1.118 315 T CB 1.252 70.189 68.868 0.116 0.000 0.948 315 T HN 0.044 nan 8.240 nan 0.000 0.531 316 P HA -0.077 nan 4.420 nan 0.000 0.215 316 P C 1.602 178.899 177.300 -0.005 0.000 1.157 316 P CA 0.388 63.483 63.100 -0.008 0.000 0.868 316 P CB -0.040 31.659 31.700 -0.002 0.000 0.788 317 I N -0.252 120.321 120.570 0.006 0.000 2.142 317 I HA -0.121 4.049 4.170 -0.000 0.000 0.240 317 I C 2.160 178.273 176.117 -0.007 0.000 1.078 317 I CA 2.178 63.480 61.300 0.004 0.000 1.343 317 I CB -1.374 36.636 38.000 0.017 0.000 1.046 317 I HN -0.107 nan 8.210 nan 0.000 0.405 318 G N -0.174 108.631 108.800 0.008 0.000 2.459 318 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.217 318 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.217 318 G C 1.355 176.222 174.900 -0.055 0.000 1.183 318 G CA 1.152 46.249 45.100 -0.006 0.000 0.776 318 G HN 0.435 nan 8.290 nan 0.000 0.552 319 D N 1.004 121.339 120.400 -0.109 0.000 2.149 319 D HA -0.043 4.597 4.640 -0.000 0.000 0.198 319 D C 2.762 179.108 176.300 0.077 0.000 0.990 319 D CA 1.296 55.188 54.000 -0.181 0.000 0.839 319 D CB -0.509 40.017 40.800 -0.457 0.000 0.948 319 D HN 0.331 nan 8.370 nan 0.000 0.460 320 A N 0.989 123.833 122.820 0.040 0.000 1.873 320 A HA -0.008 4.311 4.320 -0.000 0.000 0.215 320 A C 2.332 179.925 177.584 0.015 0.000 1.186 320 A CA 2.235 54.306 52.037 0.056 0.000 0.616 320 A CB -0.897 18.117 19.000 0.024 0.000 0.823 320 A HN 0.229 nan 8.150 nan 0.000 0.442 321 A N -0.340 122.454 122.820 -0.044 0.000 1.908 321 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 321 A C 2.050 179.558 177.584 -0.126 0.000 1.181 321 A CA 2.014 53.983 52.037 -0.113 0.000 0.627 321 A CB -0.593 18.306 19.000 -0.169 0.000 0.818 321 A HN 0.693 nan 8.150 nan 0.000 0.445 322 E N -0.340 119.803 120.200 -0.095 0.000 2.072 322 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 322 E C 2.148 178.801 176.600 0.088 0.000 0.985 322 E CA 0.913 57.290 56.400 -0.039 0.000 0.801 322 E CB -0.268 29.494 29.700 0.104 0.000 0.750 322 E HN 0.538 nan 8.360 nan 0.000 0.452 323 A N 1.490 124.404 122.820 0.158 0.000 1.883 323 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 323 A C 1.997 179.595 177.584 0.023 0.000 1.186 323 A CA 1.751 53.840 52.037 0.087 0.000 0.624 323 A CB -0.735 18.333 19.000 0.113 0.000 0.822 323 A HN 0.284 nan 8.150 nan 0.000 0.444 324 N N 0.309 119.012 118.700 0.006 0.000 2.104 324 N HA -0.149 4.591 4.740 -0.000 0.000 0.190 324 N C 1.958 177.454 175.510 -0.023 0.000 1.024 324 N CA 1.586 54.624 53.050 -0.020 0.000 0.853 324 N CB -0.584 37.877 38.487 -0.044 0.000 1.008 324 N HN 0.483 nan 8.380 nan 0.000 0.424 325 A N 1.489 124.290 122.820 -0.032 0.000 1.883 325 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 325 A C 2.356 179.954 177.584 0.024 0.000 1.186 325 A CA 1.166 53.197 52.037 -0.010 0.000 0.624 325 A CB -0.791 18.198 19.000 -0.019 0.000 0.822 325 A HN 0.249 nan 8.150 nan 0.000 0.444 326 I N -1.191 119.398 120.570 0.032 0.000 2.208 326 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 326 I C 2.791 178.909 176.117 0.002 0.000 1.097 326 I CA 1.492 62.804 61.300 0.020 0.000 1.363 326 I CB -0.385 37.617 38.000 0.002 0.000 1.051 326 I HN 0.293 nan 8.210 nan 0.000 0.413 327 R N 0.326 120.823 120.500 -0.004 0.000 2.083 327 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 327 R C 2.376 178.674 176.300 -0.004 0.000 1.137 327 R CA 1.512 57.608 56.100 -0.006 0.000 0.951 327 R CB -0.408 29.887 30.300 -0.008 0.000 0.851 327 R HN 0.207 nan 8.270 nan 0.000 0.434 328 V N 0.723 120.635 119.914 -0.004 0.000 2.287 328 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 328 V C 2.300 178.394 176.094 0.001 0.000 1.053 328 V CA 2.042 64.340 62.300 -0.003 0.000 1.027 328 V CB -0.642 31.177 31.823 -0.007 0.000 0.646 328 V HN 0.450 nan 8.190 nan 0.000 0.447 329 A N -0.810 122.014 122.820 0.006 0.000 2.119 329 A HA 0.268 4.588 4.320 -0.000 0.000 0.217 329 A C 2.001 179.585 177.584 0.001 0.000 1.153 329 A CA 1.317 53.358 52.037 0.006 0.000 0.692 329 A CB -0.583 18.424 19.000 0.012 0.000 0.799 329 A HN 1.361 nan 8.150 nan 0.000 0.458 330 G N -3.116 105.684 108.800 0.001 0.000 2.132 330 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.234 330 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.234 330 G C 0.408 175.309 174.900 0.003 0.000 0.989 330 G CA 0.182 45.283 45.100 0.001 0.000 0.676 330 G HN 0.650 nan 8.290 nan 0.000 0.522 331 C N 1.500 120.800 119.300 0.001 0.000 2.778 331 C HA 0.278 4.738 4.460 -0.000 0.000 0.294 331 C C 1.882 176.868 174.990 -0.007 0.000 1.331 331 C CA 0.086 59.105 59.018 0.001 0.000 1.741 331 C CB -0.479 27.259 27.740 -0.002 0.000 2.106 331 C HN 0.678 nan 8.230 nan 0.000 0.603 332 D N 0.146 120.540 120.400 -0.010 0.000 2.363 332 D HA -0.119 4.521 4.640 -0.000 0.000 0.220 332 D C 1.606 177.897 176.300 -0.016 0.000 0.994 332 D CA 0.661 54.647 54.000 -0.022 0.000 0.890 332 D CB -0.158 40.629 40.800 -0.022 0.000 0.906 332 D HN 0.460 nan 8.370 nan 0.000 0.530 333 Q N 0.265 120.066 119.800 0.002 0.000 2.432 333 Q HA 0.184 4.524 4.340 -0.000 0.000 0.205 333 Q C 0.728 176.745 176.000 0.028 0.000 0.945 333 Q CA 0.096 55.908 55.803 0.015 0.000 0.924 333 Q CB 0.492 29.245 28.738 0.025 0.000 1.016 333 Q HN 0.343 nan 8.270 nan 0.000 0.503 334 A N 0.940 123.774 122.820 0.022 0.000 2.371 334 A HA 0.514 4.834 4.320 -0.000 0.000 0.257 334 A C -0.050 177.553 177.584 0.032 0.000 1.089 334 A CA -0.038 52.025 52.037 0.043 0.000 0.794 334 A CB 0.368 19.385 19.000 0.028 0.000 1.029 334 A HN 0.243 nan 8.150 nan 0.000 0.488 335 A N 1.620 124.485 122.820 0.074 0.000 2.492 335 A HA 0.494 4.814 4.320 -0.000 0.000 0.254 335 A C -0.015 177.630 177.584 0.101 0.000 1.091 335 A CA -0.079 51.995 52.037 0.062 0.000 0.768 335 A CB -0.284 18.751 19.000 0.057 0.000 1.028 335 A HN 0.981 nan 8.150 nan 0.000 0.498 336 V N 3.723 123.646 119.914 0.015 0.000 2.435 336 V HA 0.374 4.494 4.120 -0.000 0.000 0.290 336 V C -0.650 175.511 176.094 0.112 0.000 1.030 336 V CA -0.398 61.898 62.300 -0.007 0.000 0.881 336 V CB 1.251 32.954 31.823 -0.199 0.000 0.983 336 V HN 0.787 nan 8.190 nan 0.000 0.445 337 Y N 3.767 124.107 120.300 0.066 0.000 2.409 337 Y HA 0.751 5.300 4.550 -0.000 0.000 0.343 337 Y C -0.105 175.849 175.900 0.090 0.000 0.973 337 Y CA -1.640 56.510 58.100 0.084 0.000 1.064 337 Y CB 1.895 40.465 38.460 0.183 0.000 1.207 337 Y HN 0.641 nan 8.280 nan 0.000 0.452 338 A N 8.793 131.455 122.820 -0.263 0.000 2.536 338 A HA 0.462 4.782 4.320 -0.000 0.000 0.329 338 A C -2.300 174.905 177.584 -0.633 0.000 1.321 338 A CA -1.576 50.281 52.037 -0.300 0.000 0.804 338 A CB 0.333 19.359 19.000 0.043 0.000 1.126 338 A HN 0.623 nan 8.150 nan 0.000 0.480 339 P HA -0.161 nan 4.420 nan 0.000 0.225 339 P C 0.994 178.129 177.300 -0.275 0.000 1.148 339 P CA 1.099 63.786 63.100 -0.689 0.000 0.779 339 P CB 0.245 31.698 31.700 -0.411 0.000 0.780 340 K N 0.431 120.673 120.400 -0.264 0.000 2.283 340 K HA -0.076 4.244 4.320 -0.000 0.000 0.202 340 K C 2.341 178.878 176.600 -0.104 0.000 1.048 340 K CA 1.506 57.681 56.287 -0.186 0.000 0.948 340 K CB -0.395 31.945 32.500 -0.266 0.000 0.742 340 K HN 0.238 nan 8.250 nan 0.000 0.458 341 S N 0.663 116.303 115.700 -0.099 0.000 2.392 341 S HA -0.219 4.251 4.470 -0.000 0.000 0.232 341 S C 2.019 176.623 174.600 0.007 0.000 1.041 341 S CA 1.346 59.530 58.200 -0.026 0.000 1.026 341 S CB -0.169 63.038 63.200 0.010 0.000 0.845 341 S HN 0.335 nan 8.310 nan 0.000 0.465 342 A N 0.084 122.911 122.820 0.012 0.000 2.127 342 A HA 0.603 4.923 4.320 -0.000 0.000 0.204 342 A C 1.890 179.497 177.584 0.039 0.000 1.243 342 A CA -0.003 52.061 52.037 0.044 0.000 0.887 342 A CB 0.045 19.095 19.000 0.084 0.000 0.933 342 A HN 0.444 nan 8.150 nan 0.000 0.479 343 L N -0.911 120.326 121.223 0.022 0.000 2.731 343 L HA 0.369 4.709 4.340 -0.000 0.000 0.240 343 L C 1.299 178.185 176.870 0.027 0.000 1.120 343 L CA 0.379 55.239 54.840 0.033 0.000 0.913 343 L CB 0.187 42.269 42.059 0.039 0.000 1.213 343 L HN 0.569 nan 8.230 nan 0.000 0.515 344 G N 0.240 109.046 108.800 0.010 0.000 2.752 344 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.234 344 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.234 344 G C -0.694 174.239 174.900 0.056 0.000 1.367 344 G CA -0.469 44.658 45.100 0.046 0.000 0.879 344 G HN 0.269 nan 8.290 nan 0.000 0.563 345 H N 0.692 119.786 119.070 0.039 0.000 2.541 345 H HA 0.609 5.165 4.556 -0.000 0.000 0.316 345 H C 1.206 176.554 175.328 0.034 0.000 1.043 345 H CA -0.069 55.956 56.048 -0.038 0.000 1.232 345 H CB 1.034 30.690 29.762 -0.176 0.000 1.406 345 H HN 0.723 nan 8.280 nan 0.000 0.469 346 S N 5.511 121.375 115.700 0.273 0.000 2.574 346 S HA 0.153 4.622 4.470 -0.000 0.000 0.242 346 S C 1.305 175.959 174.600 0.090 0.000 0.982 346 S CA -0.390 57.888 58.200 0.129 0.000 0.977 346 S CB -0.084 63.162 63.200 0.076 0.000 0.814 346 S HN 0.568 nan 8.310 nan 0.000 0.464 347 I N 1.497 122.147 120.570 0.133 0.000 4.904 347 I HA -0.366 3.803 4.170 -0.000 0.000 0.038 347 I C 2.170 178.317 176.117 0.050 0.000 0.635 347 I CA 1.931 63.205 61.300 -0.044 0.000 0.226 347 I CB -2.254 35.657 38.000 -0.147 0.000 0.330 347 I HN 0.433 nan 8.210 nan 0.000 0.150 348 G N 0.153 108.962 108.800 0.016 0.000 2.471 348 G HA2 0.124 4.084 3.960 -0.000 0.000 0.219 348 G HA3 0.124 4.084 3.960 -0.000 0.000 0.219 348 G C 1.431 176.348 174.900 0.029 0.000 1.125 348 G CA 1.625 46.738 45.100 0.022 0.000 0.775 348 G HN 1.012 nan 8.290 nan 0.000 0.548 349 A N -0.370 122.473 122.820 0.037 0.000 2.147 349 A HA 0.394 4.714 4.320 -0.000 0.000 0.211 349 A C 2.320 179.925 177.584 0.035 0.000 1.160 349 A CA 0.909 52.968 52.037 0.036 0.000 0.781 349 A CB -0.152 18.872 19.000 0.041 0.000 0.842 349 A HN 0.232 nan 8.150 nan 0.000 0.475 350 V N 0.105 120.049 119.914 0.050 0.000 2.358 350 V HA -0.115 4.005 4.120 -0.000 0.000 0.246 350 V C 2.527 178.625 176.094 0.006 0.000 1.047 350 V CA 2.269 64.583 62.300 0.024 0.000 1.035 350 V CB -0.771 31.052 31.823 0.000 0.000 0.658 350 V HN 0.529 nan 8.190 nan 0.000 0.452 351 G N -0.783 108.029 108.800 0.019 0.000 2.475 351 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 351 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 351 G C 1.698 176.599 174.900 0.002 0.000 1.125 351 G CA 1.144 46.243 45.100 -0.003 0.000 0.755 351 G HN 0.700 nan 8.290 nan 0.000 0.565 352 A N 0.339 123.165 122.820 0.011 0.000 1.872 352 A HA 0.185 4.505 4.320 -0.000 0.000 0.214 352 A C 2.324 179.908 177.584 0.000 0.000 1.187 352 A CA 1.514 53.561 52.037 0.016 0.000 0.614 352 A CB -0.448 18.565 19.000 0.022 0.000 0.826 352 A HN 0.463 nan 8.150 nan 0.000 0.442 353 L N 0.371 121.595 121.223 0.002 0.000 2.012 353 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 353 L C 2.071 178.931 176.870 -0.017 0.000 1.073 353 L CA 2.656 57.495 54.840 -0.002 0.000 0.748 353 L CB -0.694 41.372 42.059 0.012 0.000 0.891 353 L HN 0.527 nan 8.230 nan 0.000 0.431 354 E N -1.045 119.143 120.200 -0.019 0.000 2.204 354 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 354 E C 2.122 178.688 176.600 -0.057 0.000 0.989 354 E CA 1.055 57.441 56.400 -0.023 0.000 0.824 354 E CB -0.051 29.629 29.700 -0.032 0.000 0.756 354 E HN 0.513 nan 8.360 nan 0.000 0.477 355 S N 0.322 115.984 115.700 -0.062 0.000 2.368 355 S HA -0.120 4.349 4.470 -0.000 0.000 0.225 355 S C 2.149 176.555 174.600 -0.324 0.000 1.030 355 S CA 0.799 58.913 58.200 -0.143 0.000 0.999 355 S CB -0.056 63.170 63.200 0.043 0.000 0.844 355 S HN 0.076 nan 8.310 nan 0.000 0.459 356 V N 2.086 121.885 119.914 -0.192 0.000 2.427 356 V HA -0.105 4.015 4.120 -0.000 0.000 0.248 356 V C 2.082 178.003 176.094 -0.289 0.000 1.051 356 V CA 1.332 63.499 62.300 -0.222 0.000 1.048 356 V CB -0.666 31.082 31.823 -0.124 0.000 0.666 356 V HN 0.426 nan 8.190 nan 0.000 0.456 357 L N -0.454 120.653 121.223 -0.193 0.000 2.093 357 L HA -0.129 4.210 4.340 -0.000 0.000 0.208 357 L C 2.596 179.326 176.870 -0.234 0.000 1.085 357 L CA 1.673 56.409 54.840 -0.173 0.000 0.755 357 L CB -0.941 41.189 42.059 0.120 0.000 0.904 357 L HN 0.350 nan 8.230 nan 0.000 0.435 358 T N -0.425 114.004 114.554 -0.208 0.000 2.746 358 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 358 T C 2.056 176.540 174.700 -0.359 0.000 1.039 358 T CA 1.194 63.171 62.100 -0.205 0.000 1.142 358 T CB -0.218 68.489 68.868 -0.269 0.000 0.866 358 T HN 0.040 nan 8.240 nan 0.000 0.444 359 V N 1.815 121.392 119.914 -0.561 0.000 2.255 359 V HA -0.170 3.950 4.120 -0.000 0.000 0.247 359 V C 2.533 178.404 176.094 -0.372 0.000 1.051 359 V CA 1.646 63.670 62.300 -0.461 0.000 1.018 359 V CB -0.751 30.806 31.823 -0.443 0.000 0.641 359 V HN 0.455 nan 8.190 nan 0.000 0.445 360 L N -0.563 120.329 121.223 -0.552 0.000 2.083 360 L HA -0.191 4.149 4.340 -0.000 0.000 0.209 360 L C 2.624 179.128 176.870 -0.610 0.000 1.083 360 L CA 1.960 56.302 54.840 -0.830 0.000 0.752 360 L CB -1.150 39.901 42.059 -1.680 0.000 0.899 360 L HN 0.368 nan 8.230 nan 0.000 0.433 361 T N 0.510 114.807 114.554 -0.429 0.000 2.684 361 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 361 T C 1.986 176.695 174.700 0.015 0.000 1.036 361 T CA 1.398 63.461 62.100 -0.061 0.000 1.148 361 T CB -0.247 68.533 68.868 -0.147 0.000 0.863 361 T HN 0.196 nan 8.240 nan 0.000 0.436 362 L N 0.221 121.427 121.223 -0.029 0.000 2.056 362 L HA -0.020 4.320 4.340 -0.000 0.000 0.207 362 L C 2.855 179.747 176.870 0.036 0.000 1.078 362 L CA 1.199 56.067 54.840 0.047 0.000 0.749 362 L CB -0.480 41.603 42.059 0.040 0.000 0.901 362 L HN 0.140 nan 8.230 nan 0.000 0.433 363 R N 0.294 120.781 120.500 -0.022 0.000 2.080 363 R HA -0.190 4.149 4.340 -0.000 0.000 0.236 363 R C 1.398 177.726 176.300 0.047 0.000 1.137 363 R CA 2.115 58.213 56.100 -0.004 0.000 0.943 363 R CB -0.081 30.178 30.300 -0.068 0.000 0.846 363 R HN 0.294 nan 8.270 nan 0.000 0.431 364 D N -1.461 118.988 120.400 0.083 0.000 2.350 364 D HA 0.113 4.753 4.640 -0.000 0.000 0.213 364 D C 0.620 177.031 176.300 0.185 0.000 1.031 364 D CA 0.945 55.049 54.000 0.173 0.000 0.861 364 D CB 0.611 41.611 40.800 0.332 0.000 0.926 364 D HN 0.539 nan 8.370 nan 0.000 0.520 365 G N 0.939 109.842 108.800 0.171 0.000 2.221 365 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.265 365 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.265 365 G C 0.028 175.035 174.900 0.178 0.000 1.041 365 G CA 0.625 45.811 45.100 0.144 0.000 0.807 365 G HN 0.436 nan 8.290 nan 0.000 0.502 366 V N -0.388 119.666 119.914 0.234 0.000 2.969 366 V HA 0.726 4.845 4.120 -0.000 0.000 0.304 366 V C -0.741 175.304 176.094 -0.082 0.000 1.192 366 V CA -1.172 61.118 62.300 -0.016 0.000 0.962 366 V CB 1.929 33.473 31.823 -0.465 0.000 1.045 366 V HN 0.375 nan 8.190 nan 0.000 0.428 367 I N 7.621 128.026 120.570 -0.275 0.000 2.378 367 I HA 0.492 4.661 4.170 -0.000 0.000 0.291 367 I C -2.310 173.456 176.117 -0.584 0.000 0.992 367 I CA -2.152 58.856 61.300 -0.487 0.000 1.154 367 I CB 2.354 40.018 38.000 -0.560 0.000 1.315 367 I HN 0.497 nan 8.210 nan 0.000 0.448 368 P HA 0.125 nan 4.420 nan 0.000 0.271 368 P C -2.545 174.449 177.300 -0.511 0.000 1.233 368 P CA -1.142 61.523 63.100 -0.725 0.000 0.789 368 P CB -0.250 30.988 31.700 -0.768 0.000 0.951 369 P HA 0.051 nan 4.420 nan 0.000 0.275 369 P C -0.628 176.762 177.300 0.150 0.000 1.227 369 P CA 0.133 63.207 63.100 -0.042 0.000 0.781 369 P CB 0.092 31.778 31.700 -0.023 0.000 0.906 370 T N 4.425 119.102 114.554 0.204 0.000 2.743 370 T HA 0.184 4.534 4.350 -0.000 0.000 0.290 370 T C 0.765 175.562 174.700 0.162 0.000 0.908 370 T CA -0.145 62.085 62.100 0.218 0.000 1.092 370 T CB -0.531 68.402 68.868 0.108 0.000 0.882 370 T HN 0.199 nan 8.240 nan 0.000 0.531 371 L N 4.122 125.429 121.223 0.140 0.000 2.483 371 L HA 0.074 4.414 4.340 -0.000 0.000 0.275 371 L C 1.087 178.031 176.870 0.123 0.000 1.220 371 L CA -0.228 54.678 54.840 0.110 0.000 0.833 371 L CB 0.078 42.184 42.059 0.079 0.000 1.102 371 L HN 0.744 nan 8.230 nan 0.000 0.490 372 N N -0.041 118.725 118.700 0.110 0.000 2.936 372 N HA -0.294 4.446 4.740 -0.000 0.000 0.236 372 N C -0.349 175.247 175.510 0.144 0.000 0.930 372 N CA 0.935 54.044 53.050 0.099 0.000 0.966 372 N CB -1.379 37.149 38.487 0.067 0.000 1.090 372 N HN 0.586 nan 8.380 nan 0.000 0.592 373 Y N 2.172 122.504 120.300 0.054 0.000 2.613 373 Y HA 0.207 4.757 4.550 -0.000 0.000 0.354 373 Y C 1.359 177.288 175.900 0.048 0.000 1.063 373 Y CA 0.491 58.630 58.100 0.065 0.000 1.384 373 Y CB 0.118 38.631 38.460 0.089 0.000 1.199 373 Y HN 0.065 nan 8.280 nan 0.000 0.517 374 E N 1.548 121.653 120.200 -0.159 0.000 2.399 374 E HA 0.141 4.491 4.350 -0.000 0.000 0.206 374 E C -0.338 176.143 176.600 -0.197 0.000 0.812 374 E CA 0.270 56.598 56.400 -0.120 0.000 1.138 374 E CB 0.864 30.537 29.700 -0.045 0.000 1.140 374 E HN 0.341 nan 8.360 nan 0.000 0.536 375 T N 3.370 117.774 114.554 -0.250 0.000 2.892 375 T HA 0.326 4.676 4.350 -0.000 0.000 0.311 375 T C -2.778 171.734 174.700 -0.314 0.000 1.033 375 T CA -1.531 60.435 62.100 -0.225 0.000 0.991 375 T CB 1.801 70.599 68.868 -0.117 0.000 0.981 375 T HN -0.157 nan 8.240 nan 0.000 0.457 376 P HA 0.110 nan 4.420 nan 0.000 0.268 376 P C -0.333 176.927 177.300 -0.067 0.000 1.205 376 P CA -0.371 62.568 63.100 -0.268 0.000 0.771 376 P CB 0.513 32.135 31.700 -0.130 0.000 0.858 377 D N 4.372 124.789 120.400 0.029 0.000 2.317 377 D HA 0.055 4.695 4.640 -0.000 0.000 0.252 377 D C -1.192 175.139 176.300 0.052 0.000 1.174 377 D CA -2.111 51.919 54.000 0.050 0.000 0.866 377 D CB 0.780 41.641 40.800 0.101 0.000 1.127 377 D HN 0.185 nan 8.370 nan 0.000 0.467 378 P HA -0.159 nan 4.420 nan 0.000 0.217 378 P C 0.763 178.082 177.300 0.032 0.000 1.148 378 P CA 0.963 64.078 63.100 0.025 0.000 0.828 378 P CB 0.580 32.289 31.700 0.014 0.000 0.783 379 E N -0.671 119.552 120.200 0.039 0.000 2.285 379 E HA 0.026 4.376 4.350 -0.000 0.000 0.194 379 E C 0.967 177.599 176.600 0.053 0.000 0.997 379 E CA 0.390 56.813 56.400 0.038 0.000 0.845 379 E CB -0.014 29.706 29.700 0.034 0.000 0.782 379 E HN 0.300 nan 8.360 nan 0.000 0.491 380 I N 1.997 122.617 120.570 0.082 0.000 2.325 380 I HA 0.123 4.292 4.170 -0.000 0.000 0.291 380 I C 0.097 176.251 176.117 0.063 0.000 1.019 380 I CA -0.233 61.127 61.300 0.099 0.000 1.302 380 I CB 0.791 38.912 38.000 0.202 0.000 1.401 380 I HN -0.231 nan 8.210 nan 0.000 0.485 381 D N 8.042 128.456 120.400 0.024 0.000 2.517 381 D HA 0.489 5.129 4.640 -0.000 0.000 0.301 381 D C -0.755 175.530 176.300 -0.024 0.000 1.202 381 D CA -0.084 53.923 54.000 0.012 0.000 0.910 381 D CB 0.253 41.060 40.800 0.011 0.000 1.021 381 D HN 0.361 nan 8.370 nan 0.000 0.499 382 L N 0.524 121.715 121.223 -0.054 0.000 2.371 382 L HA 0.376 4.716 4.340 -0.000 0.000 0.262 382 L C 0.013 176.816 176.870 -0.112 0.000 1.006 382 L CA -1.070 53.690 54.840 -0.133 0.000 0.818 382 L CB 2.273 44.140 42.059 -0.320 0.000 1.354 382 L HN -0.105 nan 8.230 nan 0.000 0.415 383 D N 1.778 122.112 120.400 -0.109 0.000 2.558 383 D HA 0.183 4.823 4.640 -0.000 0.000 0.221 383 D C -0.632 175.585 176.300 -0.139 0.000 1.143 383 D CA -0.109 53.846 54.000 -0.075 0.000 1.010 383 D CB 0.293 41.076 40.800 -0.029 0.000 1.068 383 D HN 0.042 nan 8.370 nan 0.000 0.511 384 V N 3.445 123.211 119.914 -0.248 0.000 2.455 384 V HA 0.083 4.203 4.120 -0.000 0.000 0.273 384 V C 0.706 176.639 176.094 -0.268 0.000 1.045 384 V CA -0.759 61.297 62.300 -0.407 0.000 0.976 384 V CB 1.383 32.621 31.823 -0.974 0.000 0.993 384 V HN 0.163 nan 8.190 nan 0.000 0.475 385 V N 5.398 125.236 119.914 -0.127 0.000 2.521 385 V HA 0.583 4.703 4.120 -0.000 0.000 0.286 385 V C 0.575 176.647 176.094 -0.036 0.000 1.034 385 V CA 0.568 62.834 62.300 -0.056 0.000 1.045 385 V CB 0.628 32.420 31.823 -0.051 0.000 0.974 385 V HN 1.095 nan 8.190 nan 0.000 0.480 386 A N 3.584 126.410 122.820 0.011 0.000 2.612 386 A HA 0.822 5.142 4.320 -0.000 0.000 0.293 386 A C 0.722 178.348 177.584 0.070 0.000 1.075 386 A CA 0.188 52.270 52.037 0.075 0.000 0.680 386 A CB 1.356 20.477 19.000 0.200 0.000 1.279 386 A HN 1.798 nan 8.150 nan 0.000 0.411 387 G N -0.003 108.839 108.800 0.070 0.000 3.909 387 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.218 387 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.218 387 G C 0.226 175.137 174.900 0.018 0.000 1.404 387 G CA 0.813 45.942 45.100 0.048 0.000 0.905 387 G HN 1.046 nan 8.290 nan 0.000 0.589 388 E N 1.207 121.409 120.200 0.004 0.000 2.317 388 E HA 0.517 4.866 4.350 -0.000 0.000 0.270 388 E C -2.732 173.827 176.600 -0.069 0.000 0.885 388 E CA -2.207 54.182 56.400 -0.017 0.000 0.760 388 E CB 2.750 32.458 29.700 0.014 0.000 1.227 388 E HN 0.128 nan 8.360 nan 0.000 0.434 389 P HA -0.055 nan 4.420 nan 0.000 0.265 389 P C -0.992 176.163 177.300 -0.241 0.000 1.187 389 P CA 0.408 63.342 63.100 -0.276 0.000 0.766 389 P CB 0.363 31.832 31.700 -0.386 0.000 0.820 390 R N 3.548 123.894 120.500 -0.257 0.000 2.288 390 R HA 0.277 4.617 4.340 -0.000 0.000 0.326 390 R C -0.739 175.491 176.300 -0.117 0.000 0.959 390 R CA -0.636 55.402 56.100 -0.103 0.000 0.834 390 R CB 0.152 30.455 30.300 0.006 0.000 1.157 390 R HN 0.391 nan 8.270 nan 0.000 0.470 391 Y N 2.162 122.472 120.300 0.015 0.000 2.377 391 Y HA 0.442 4.991 4.550 -0.000 0.000 0.330 391 Y C 1.151 176.968 175.900 -0.139 0.000 1.108 391 Y CA 0.858 58.940 58.100 -0.029 0.000 1.308 391 Y CB 1.714 40.144 38.460 -0.050 0.000 1.216 391 Y HN 0.759 nan 8.280 nan 0.000 0.518 392 G N 1.511 110.119 108.800 -0.321 0.000 2.623 392 G HA2 0.239 4.199 3.960 -0.000 0.000 0.290 392 G HA3 0.239 4.199 3.960 -0.000 0.000 0.290 392 G C -1.839 172.451 174.900 -1.017 0.000 1.437 392 G CA -0.951 43.694 45.100 -0.759 0.000 0.798 392 G HN 0.390 nan 8.290 nan 0.000 0.488 393 D N 0.289 120.303 120.400 -0.644 0.000 2.619 393 D HA 0.310 4.950 4.640 -0.000 0.000 0.224 393 D C -0.568 175.553 176.300 -0.298 0.000 1.133 393 D CA -0.267 53.511 54.000 -0.371 0.000 1.017 393 D CB -0.409 40.283 40.800 -0.179 0.000 1.077 393 D HN 0.188 nan 8.370 nan 0.000 0.503 394 Y N 1.252 121.541 120.300 -0.018 0.000 2.486 394 Y HA 0.289 4.838 4.550 -0.000 0.000 0.348 394 Y C 1.674 177.531 175.900 -0.071 0.000 1.000 394 Y CA -0.542 57.548 58.100 -0.015 0.000 1.253 394 Y CB 0.702 39.156 38.460 -0.010 0.000 1.140 394 Y HN 0.128 nan 8.280 nan 0.000 0.526 395 R N 1.751 122.251 120.500 -0.000 0.000 2.123 395 R HA 0.149 4.489 4.340 -0.000 0.000 0.209 395 R C -0.709 175.271 176.300 -0.532 0.000 1.078 395 R CA 0.589 56.488 56.100 -0.336 0.000 1.028 395 R CB 0.322 30.337 30.300 -0.474 0.000 0.939 395 R HN 0.483 nan 8.270 nan 0.000 0.463 396 Y N -0.593 119.790 120.300 0.138 0.000 2.512 396 Y HA 0.675 5.225 4.550 -0.000 0.000 0.348 396 Y C -0.536 175.442 175.900 0.131 0.000 0.990 396 Y CA -1.369 56.803 58.100 0.119 0.000 1.033 396 Y CB 2.226 40.732 38.460 0.075 0.000 1.259 396 Y HN -0.033 nan 8.280 nan 0.000 0.461 397 A N 1.292 124.281 122.820 0.281 0.000 2.520 397 A HA 0.796 5.115 4.320 -0.000 0.000 0.298 397 A C -1.940 175.717 177.584 0.122 0.000 1.051 397 A CA -0.736 51.408 52.037 0.177 0.000 0.690 397 A CB 1.176 20.308 19.000 0.220 0.000 1.281 397 A HN 0.476 nan 8.150 nan 0.000 0.402 398 V N 2.164 122.082 119.914 0.005 0.000 2.435 398 V HA 0.389 4.509 4.120 -0.000 0.000 0.290 398 V C -0.060 176.009 176.094 -0.043 0.000 1.030 398 V CA -0.690 61.603 62.300 -0.013 0.000 0.881 398 V CB 1.554 33.351 31.823 -0.043 0.000 0.983 398 V HN 0.881 nan 8.190 nan 0.000 0.445 399 N N 4.343 123.057 118.700 0.024 0.000 2.437 399 N HA 0.305 5.045 4.740 -0.000 0.000 0.259 399 N C -0.605 174.854 175.510 -0.085 0.000 0.983 399 N CA -0.276 52.771 53.050 -0.004 0.000 0.937 399 N CB 0.693 39.240 38.487 0.100 0.000 1.122 399 N HN 0.626 nan 8.380 nan 0.000 0.499 400 N N 1.382 120.008 118.700 -0.123 0.000 2.473 400 N HA 0.449 5.189 4.740 -0.000 0.000 0.291 400 N C -1.199 174.066 175.510 -0.408 0.000 1.083 400 N CA -0.255 52.610 53.050 -0.308 0.000 0.951 400 N CB 1.480 39.873 38.487 -0.156 0.000 1.164 400 N HN 0.419 nan 8.380 nan 0.000 0.480 401 S N 0.915 116.141 115.700 -0.789 0.000 2.540 401 S HA 0.697 5.167 4.470 -0.000 0.000 0.275 401 S C -1.271 172.562 174.600 -1.279 0.000 1.123 401 S CA -0.615 57.086 58.200 -0.832 0.000 0.907 401 S CB 0.977 63.946 63.200 -0.385 0.000 1.081 401 S HN 0.345 nan 8.310 nan 0.000 0.476 402 F N 0.228 119.649 119.950 -0.880 0.000 2.613 402 F HA 0.863 5.390 4.527 -0.000 0.000 0.314 402 F C 0.610 176.245 175.800 -0.275 0.000 1.075 402 F CA -0.659 57.096 58.000 -0.408 0.000 0.945 402 F CB 2.270 41.128 39.000 -0.237 0.000 1.310 402 F HN 0.778 nan 8.300 nan 0.000 0.467 403 G N 0.534 109.440 108.800 0.177 0.000 2.706 403 G HA2 0.561 4.521 3.960 -0.000 0.000 0.297 403 G HA3 0.561 4.521 3.960 -0.000 0.000 0.297 403 G C -1.598 173.500 174.900 0.329 0.000 1.403 403 G CA -0.758 44.451 45.100 0.183 0.000 0.954 403 G HN 0.252 nan 8.290 nan 0.000 0.500 404 F N 0.770 120.837 119.950 0.196 0.000 2.637 404 F HA 0.321 4.848 4.527 -0.000 0.000 0.372 404 F C 1.747 177.604 175.800 0.095 0.000 1.107 404 F CA 1.406 59.491 58.000 0.141 0.000 1.325 404 F CB 0.569 39.652 39.000 0.139 0.000 1.016 404 F HN 1.213 nan 8.300 nan 0.000 0.593 405 G N 0.615 109.503 108.800 0.147 0.000 2.259 405 G HA2 0.092 4.052 3.960 -0.000 0.000 0.217 405 G HA3 0.092 4.052 3.960 -0.000 0.000 0.217 405 G C 0.846 175.520 174.900 -0.377 0.000 1.001 405 G CA 0.203 45.209 45.100 -0.156 0.000 0.627 405 G HN 1.959 nan 8.290 nan 0.000 0.501 406 G N -0.195 108.472 108.800 -0.221 0.000 2.141 406 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.195 406 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.195 406 G C -0.110 174.726 174.900 -0.108 0.000 1.012 406 G CA 0.456 45.502 45.100 -0.089 0.000 0.696 406 G HN 1.332 nan 8.290 nan 0.000 0.508 407 H N 0.871 120.035 119.070 0.158 0.000 2.620 407 H HA 0.386 4.942 4.556 -0.000 0.000 0.313 407 H C -0.032 175.381 175.328 0.142 0.000 1.075 407 H CA -0.233 55.884 56.048 0.116 0.000 1.397 407 H CB 0.778 30.585 29.762 0.075 0.000 1.446 407 H HN 0.283 nan 8.280 nan 0.000 0.493 408 N N 2.785 121.620 118.700 0.225 0.000 2.372 408 N HA 0.282 5.022 4.740 -0.000 0.000 0.285 408 N C -0.766 174.725 175.510 -0.032 0.000 1.008 408 N CA -0.514 52.637 53.050 0.168 0.000 0.880 408 N CB 2.928 41.584 38.487 0.281 0.000 1.239 408 N HN 0.207 nan 8.380 nan 0.000 0.484 409 V N 0.613 120.382 119.914 -0.242 0.000 2.577 409 V HA 0.780 4.900 4.120 -0.000 0.000 0.303 409 V C -0.463 175.451 176.094 -0.300 0.000 1.042 409 V CA -0.890 61.270 62.300 -0.232 0.000 0.872 409 V CB 1.580 33.277 31.823 -0.211 0.000 0.998 409 V HN 0.808 nan 8.190 nan 0.000 0.423 410 A N 5.742 128.432 122.820 -0.217 0.000 2.356 410 A HA 0.942 5.262 4.320 -0.000 0.000 0.310 410 A C -1.141 176.305 177.584 -0.230 0.000 1.075 410 A CA -0.528 51.388 52.037 -0.202 0.000 0.746 410 A CB 1.218 20.133 19.000 -0.142 0.000 1.221 410 A HN 0.791 nan 8.150 nan 0.000 0.443 411 L N 1.969 123.062 121.223 -0.217 0.000 2.341 411 L HA 0.694 5.034 4.340 -0.000 0.000 0.278 411 L C 0.350 177.023 176.870 -0.327 0.000 1.005 411 L CA -0.663 53.970 54.840 -0.346 0.000 0.818 411 L CB 2.041 43.927 42.059 -0.289 0.000 1.259 411 L HN 0.796 nan 8.230 nan 0.000 0.418 412 A N 3.691 126.226 122.820 -0.476 0.000 2.260 412 A HA 0.752 5.072 4.320 -0.000 0.000 0.314 412 A C -1.041 176.287 177.584 -0.425 0.000 1.257 412 A CA -0.194 51.656 52.037 -0.313 0.000 0.871 412 A CB 0.115 18.954 19.000 -0.268 0.000 1.166 412 A HN 0.495 nan 8.150 nan 0.000 0.522 413 F N 1.264 121.195 119.950 -0.032 0.000 2.507 413 F HA 0.682 5.208 4.527 -0.000 0.000 0.327 413 F C 0.906 176.780 175.800 0.123 0.000 1.068 413 F CA -0.141 57.869 58.000 0.016 0.000 0.965 413 F CB 2.602 41.603 39.000 0.002 0.000 1.192 413 F HN 0.671 nan 8.300 nan 0.000 0.476 414 G N 1.267 110.265 108.800 0.331 0.000 2.524 414 G HA2 0.510 4.470 3.960 -0.000 0.000 0.310 414 G HA3 0.510 4.470 3.960 -0.000 0.000 0.310 414 G C -1.594 173.397 174.900 0.152 0.000 1.279 414 G CA -1.067 44.186 45.100 0.256 0.000 0.974 414 G HN 0.667 nan 8.290 nan 0.000 0.484 415 R N 0.748 121.255 120.500 0.011 0.000 2.491 415 R HA 0.282 4.622 4.340 -0.000 0.000 0.283 415 R C -0.730 175.610 176.300 0.067 0.000 1.072 415 R CA -0.406 55.712 56.100 0.030 0.000 1.048 415 R CB 0.362 30.637 30.300 -0.042 0.000 0.983 415 R HN 0.599 nan 8.270 nan 0.000 0.450 416 Y N 0.000 120.305 120.300 0.009 0.000 2.660 416 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 416 Y CA 0.000 58.109 58.100 0.016 0.000 1.940 416 Y CB 0.000 38.476 38.460 0.026 0.000 1.050 416 Y HN 0.000 nan 8.280 nan 0.000 0.758