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 2ws3_1_I DATA FIRST_RESID 1 DATA SEQUENCE MKLPVREFDA VVIGAGGAGM RAALQISQSG QTCALLSKVF PTRSHTVSAQ DATA SEQUENCE GGITVALGNT HEDNWEWHMY DTVKGSDYIG DQDAIEYMCK TGPEAILELE DATA SEQUENCE HMGLPFSRLD DGRIYQRPFG GQSKNFGGEQ AARTAAAADR TGHALLHTLY DATA SEQUENCE QQNLKNHTTI FSEWYALDLV KNQDGAVVGC TALCIETGEV VYFKARATVL DATA SEQUENCE ATGGAGRIYQ STTNAHINTG DGVGMAIRAG VPVQDMEMWQ FHPTGIAGAG DATA SEQUENCE VLVTEGCRGE GGYLLNKHGE RFMERYAPNA KDLAGRDVVA RSIMIEIREG DATA SEQUENCE RGCDGPWGPH AKLKLDHLGK EVLESRLPGI LELSRTFAHV DPVKEPIPVI DATA SEQUENCE PTCHYMMGGI PTKVTGQALT VNEKGEDVVV PGLFAVGEIA CVSVHGANRL DATA SEQUENCE GGNSLLDLVV FGRAAGLHLQ ESIAEQGALR DASESDVEAS LDRLNRWNNN DATA SEQUENCE RNGEDPVAIR KALQECMQHN FSVFREGDAM AKGLEQLKVI RERLKNARLD DATA SEQUENCE DTSSEFNTQR VECLELDNLM ETAYATAVSA NFRTESRGAH SRFDFPDRDD DATA SEQUENCE ENWLCHSLYL PESESMTRRS VNMEPKLRPA FPPKIRTY 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.318 176.300 0.031 0.000 1.140 1 M CA 0.000 55.324 55.300 0.039 0.000 0.988 1 M CB 0.000 32.636 32.600 0.060 0.000 1.302 2 K N 1.463 121.880 120.400 0.028 0.000 2.440 2 K HA 0.425 4.745 4.320 -0.000 0.000 0.206 2 K C -0.801 175.818 176.600 0.032 0.000 1.025 2 K CA -0.030 56.272 56.287 0.025 0.000 1.135 2 K CB 0.563 33.074 32.500 0.018 0.000 0.856 2 K HN 0.563 nan 8.250 nan 0.000 0.502 3 L N 1.105 122.354 121.223 0.044 0.000 2.354 3 L HA 0.467 4.807 4.340 -0.000 0.000 0.269 3 L C -2.457 174.443 176.870 0.050 0.000 1.005 3 L CA -2.199 52.674 54.840 0.055 0.000 0.819 3 L CB 1.727 43.831 42.059 0.075 0.000 1.311 3 L HN -0.098 nan 8.230 nan 0.000 0.423 4 P HA 0.189 nan 4.420 nan 0.000 0.268 4 P C -1.254 176.018 177.300 -0.047 0.000 1.204 4 P CA -0.139 62.959 63.100 -0.005 0.000 0.768 4 P CB 0.605 32.305 31.700 -0.000 0.000 0.842 5 V N 5.523 125.384 119.914 -0.089 0.000 2.357 5 V HA 0.357 4.477 4.120 -0.000 0.000 0.284 5 V C 0.459 176.385 176.094 -0.281 0.000 1.018 5 V CA -0.497 61.689 62.300 -0.190 0.000 0.841 5 V CB 1.082 32.819 31.823 -0.144 0.000 0.991 5 V HN 0.432 nan 8.190 nan 0.000 0.437 6 R N 3.371 123.626 120.500 -0.408 0.000 2.288 6 R HA 0.462 4.802 4.340 -0.000 0.000 0.326 6 R C -0.368 175.722 176.300 -0.350 0.000 0.959 6 R CA -0.475 55.396 56.100 -0.381 0.000 0.834 6 R CB 2.016 32.064 30.300 -0.420 0.000 1.157 6 R HN 0.781 nan 8.270 nan 0.000 0.470 7 E N 3.433 123.347 120.200 -0.476 0.000 2.216 7 E HA 0.386 4.736 4.350 -0.000 0.000 0.279 7 E C -1.161 175.027 176.600 -0.686 0.000 0.997 7 E CA -0.369 55.792 56.400 -0.398 0.000 0.817 7 E CB 0.722 30.247 29.700 -0.292 0.000 1.096 7 E HN 0.290 nan 8.360 nan 0.000 0.393 8 F N 1.425 121.348 119.950 -0.045 0.000 2.664 8 F HA 0.232 4.759 4.527 -0.000 0.000 0.317 8 F C 0.834 176.619 175.800 -0.024 0.000 1.108 8 F CA -0.866 57.125 58.000 -0.015 0.000 0.957 8 F CB 1.508 40.514 39.000 0.010 0.000 1.365 8 F HN 0.418 nan 8.300 nan 0.000 0.475 9 D N 0.633 121.140 120.400 0.178 0.000 2.149 9 D HA 0.131 4.771 4.640 -0.000 0.000 0.201 9 D C 0.262 176.600 176.300 0.063 0.000 0.972 9 D CA 1.216 55.265 54.000 0.082 0.000 0.835 9 D CB 0.181 41.010 40.800 0.047 0.000 0.966 9 D HN 0.406 nan 8.370 nan 0.000 0.476 10 A N 0.137 122.997 122.820 0.067 0.000 2.422 10 A HA 0.547 4.867 4.320 -0.000 0.000 0.302 10 A C -1.032 176.518 177.584 -0.056 0.000 1.041 10 A CA -0.553 51.472 52.037 -0.021 0.000 0.708 10 A CB 2.089 21.029 19.000 -0.100 0.000 1.257 10 A HN -0.101 nan 8.150 nan 0.000 0.414 11 V N 2.683 122.547 119.914 -0.085 0.000 2.357 11 V HA 0.360 4.480 4.120 -0.000 0.000 0.284 11 V C -0.368 175.618 176.094 -0.181 0.000 1.018 11 V CA -0.507 61.677 62.300 -0.194 0.000 0.841 11 V CB 1.430 33.158 31.823 -0.157 0.000 0.991 11 V HN 0.638 nan 8.190 nan 0.000 0.437 12 V N 6.891 126.677 119.914 -0.215 0.000 2.334 12 V HA 0.378 4.498 4.120 -0.000 0.000 0.267 12 V C 0.214 176.197 176.094 -0.186 0.000 1.040 12 V CA -0.257 61.945 62.300 -0.163 0.000 0.866 12 V CB 1.172 32.913 31.823 -0.135 0.000 1.019 12 V HN 0.690 nan 8.190 nan 0.000 0.468 13 I N 5.417 125.894 120.570 -0.155 0.000 2.311 13 I HA 0.581 4.751 4.170 -0.000 0.000 0.297 13 I C 0.893 176.939 176.117 -0.118 0.000 1.131 13 I CA 0.458 61.660 61.300 -0.163 0.000 1.289 13 I CB 0.294 38.208 38.000 -0.144 0.000 1.446 13 I HN 0.832 nan 8.210 nan 0.000 0.524 14 G N 4.494 113.225 108.800 -0.114 0.000 2.957 14 G HA2 0.215 4.175 3.960 -0.000 0.000 0.636 14 G HA3 0.215 4.175 3.960 -0.000 0.000 0.636 14 G C -0.551 174.305 174.900 -0.074 0.000 1.401 14 G CA -0.403 44.649 45.100 -0.080 0.000 0.941 14 G HN 0.751 nan 8.290 nan 0.000 0.610 15 A N 1.492 124.268 122.820 -0.073 0.000 3.106 15 A HA 0.799 5.119 4.320 -0.000 0.000 0.306 15 A C 1.229 178.764 177.584 -0.081 0.000 1.192 15 A CA 0.951 52.938 52.037 -0.083 0.000 0.994 15 A CB -0.161 18.773 19.000 -0.110 0.000 1.107 15 A HN 2.002 nan 8.150 nan 0.000 0.585 16 G N -0.723 108.047 108.800 -0.050 0.000 2.510 16 G HA2 0.422 4.382 3.960 -0.000 0.000 0.280 16 G HA3 0.422 4.382 3.960 -0.000 0.000 0.280 16 G C 1.159 176.043 174.900 -0.028 0.000 1.386 16 G CA 0.096 45.176 45.100 -0.034 0.000 1.047 16 G HN 0.573 nan 8.290 nan 0.000 0.527 17 G N -0.120 108.674 108.800 -0.011 0.000 2.529 17 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.219 17 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.219 17 G C 1.926 176.832 174.900 0.011 0.000 1.177 17 G CA 2.138 47.238 45.100 -0.001 0.000 0.773 17 G HN 0.964 nan 8.290 nan 0.000 0.573 18 A N 0.543 123.380 122.820 0.029 0.000 1.930 18 A HA 0.289 4.609 4.320 -0.000 0.000 0.215 18 A C 2.726 180.319 177.584 0.016 0.000 1.176 18 A CA 1.826 53.888 52.037 0.043 0.000 0.632 18 A CB -1.002 18.043 19.000 0.075 0.000 0.819 18 A HN 0.582 nan 8.150 nan 0.000 0.445 19 G N -0.265 108.532 108.800 -0.006 0.000 2.476 19 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.218 19 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.218 19 G C 1.610 176.487 174.900 -0.039 0.000 1.164 19 G CA 1.325 46.407 45.100 -0.031 0.000 0.768 19 G HN 0.443 nan 8.290 nan 0.000 0.560 20 M N -0.452 119.126 119.600 -0.037 0.000 2.394 20 M HA 0.076 4.556 4.480 -0.000 0.000 0.264 20 M C 2.534 178.813 176.300 -0.036 0.000 1.073 20 M CA 0.879 56.155 55.300 -0.041 0.000 1.111 20 M CB -0.032 32.546 32.600 -0.038 0.000 1.401 20 M HN 0.165 nan 8.290 nan 0.000 0.448 21 R N 0.881 121.368 120.500 -0.021 0.000 2.093 21 R HA 0.070 4.410 4.340 -0.000 0.000 0.224 21 R C 2.021 178.310 176.300 -0.018 0.000 1.101 21 R CA 1.591 57.682 56.100 -0.016 0.000 0.979 21 R CB -0.457 29.844 30.300 0.001 0.000 0.877 21 R HN 0.266 nan 8.270 nan 0.000 0.441 22 A N 0.370 123.181 122.820 -0.016 0.000 1.873 22 A HA 0.034 4.354 4.320 -0.000 0.000 0.215 22 A C 2.354 179.907 177.584 -0.051 0.000 1.186 22 A CA 1.543 53.564 52.037 -0.026 0.000 0.616 22 A CB -1.109 17.877 19.000 -0.023 0.000 0.823 22 A HN 0.439 nan 8.150 nan 0.000 0.442 23 A N -0.432 122.352 122.820 -0.060 0.000 1.883 23 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 23 A C 2.137 179.683 177.584 -0.062 0.000 1.186 23 A CA 1.837 53.830 52.037 -0.073 0.000 0.624 23 A CB -0.751 18.200 19.000 -0.081 0.000 0.822 23 A HN 0.664 nan 8.150 nan 0.000 0.444 24 L N -0.695 120.494 121.223 -0.056 0.000 2.079 24 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 24 L C 2.471 179.314 176.870 -0.044 0.000 1.081 24 L CA 2.660 57.468 54.840 -0.053 0.000 0.752 24 L CB -0.529 41.498 42.059 -0.053 0.000 0.896 24 L HN 0.530 nan 8.230 nan 0.000 0.433 25 Q N -0.554 119.221 119.800 -0.041 0.000 2.163 25 Q HA -0.047 4.293 4.340 -0.000 0.000 0.198 25 Q C 2.096 178.070 176.000 -0.044 0.000 0.954 25 Q CA 1.624 57.405 55.803 -0.038 0.000 0.851 25 Q CB -0.248 28.472 28.738 -0.030 0.000 0.928 25 Q HN 0.619 nan 8.270 nan 0.000 0.459 26 I N -0.219 120.319 120.570 -0.054 0.000 2.286 26 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 26 I C 2.338 178.430 176.117 -0.042 0.000 1.115 26 I CA 1.302 62.565 61.300 -0.060 0.000 1.392 26 I CB -0.350 37.602 38.000 -0.080 0.000 1.065 26 I HN 0.184 nan 8.210 nan 0.000 0.418 27 S N -0.027 115.650 115.700 -0.037 0.000 2.371 27 S HA -0.184 4.286 4.470 -0.000 0.000 0.224 27 S C 1.951 176.540 174.600 -0.017 0.000 1.029 27 S CA 1.275 59.462 58.200 -0.022 0.000 0.978 27 S CB -0.064 63.120 63.200 -0.026 0.000 0.833 27 S HN 0.420 nan 8.310 nan 0.000 0.466 28 Q N 0.277 120.062 119.800 -0.024 0.000 2.435 28 Q HA 0.180 4.520 4.340 -0.000 0.000 0.207 28 Q C 1.202 177.188 176.000 -0.022 0.000 0.956 28 Q CA 0.560 56.351 55.803 -0.021 0.000 0.917 28 Q CB 0.151 28.874 28.738 -0.024 0.000 0.997 28 Q HN 0.334 nan 8.270 nan 0.000 0.497 29 S N -0.494 115.190 115.700 -0.027 0.000 2.660 29 S HA 0.171 4.641 4.470 -0.000 0.000 0.227 29 S C 0.859 175.447 174.600 -0.020 0.000 0.948 29 S CA 0.427 58.610 58.200 -0.028 0.000 0.948 29 S CB 0.429 63.605 63.200 -0.039 0.000 0.779 29 S HN 0.604 nan 8.310 nan 0.000 0.487 30 G N 1.622 110.415 108.800 -0.013 0.000 2.225 30 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.267 30 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.267 30 G C -0.235 174.665 174.900 -0.000 0.000 1.024 30 G CA 0.015 45.112 45.100 -0.005 0.000 0.784 30 G HN 0.524 nan 8.290 nan 0.000 0.507 31 Q N 0.228 120.028 119.800 -0.001 0.000 2.309 31 Q HA 0.572 4.912 4.340 -0.000 0.000 0.264 31 Q C 0.649 176.669 176.000 0.033 0.000 1.008 31 Q CA -0.138 55.670 55.803 0.009 0.000 0.853 31 Q CB 1.474 30.209 28.738 -0.006 0.000 1.314 31 Q HN 0.444 nan 8.270 nan 0.000 0.448 32 T N -1.534 113.061 114.554 0.067 0.000 2.916 32 T HA 0.314 4.663 4.350 -0.000 0.000 0.303 32 T C -0.153 174.654 174.700 0.178 0.000 1.025 32 T CA -0.627 61.561 62.100 0.147 0.000 1.142 32 T CB 0.509 69.487 68.868 0.182 0.000 0.947 32 T HN 0.650 nan 8.240 nan 0.000 0.544 33 C N 3.035 122.425 119.300 0.150 0.000 2.701 33 C HA 0.775 5.235 4.460 -0.000 0.000 0.336 33 C C -0.297 174.553 174.990 -0.233 0.000 1.123 33 C CA -0.383 58.618 59.018 -0.028 0.000 1.326 33 C CB 0.156 27.862 27.740 -0.057 0.000 1.833 33 C HN 1.327 nan 8.230 nan 0.000 0.473 34 A N 5.084 127.565 122.820 -0.565 0.000 2.288 34 A HA 0.720 5.040 4.320 -0.000 0.000 0.320 34 A C -1.024 176.328 177.584 -0.388 0.000 1.217 34 A CA -0.420 51.192 52.037 -0.708 0.000 0.840 34 A CB 0.837 18.981 19.000 -1.427 0.000 1.179 34 A HN 1.194 nan 8.150 nan 0.000 0.504 35 L N 3.790 124.886 121.223 -0.211 0.000 2.276 35 L HA 0.601 4.941 4.340 -0.000 0.000 0.286 35 L C -1.078 175.705 176.870 -0.144 0.000 1.024 35 L CA -0.279 54.457 54.840 -0.173 0.000 0.826 35 L CB 0.729 42.717 42.059 -0.118 0.000 1.211 35 L HN 0.591 nan 8.230 nan 0.000 0.422 36 L N 3.765 124.849 121.223 -0.232 0.000 2.360 36 L HA 0.748 5.088 4.340 -0.000 0.000 0.271 36 L C 0.144 176.962 176.870 -0.087 0.000 1.057 36 L CA 0.155 54.872 54.840 -0.204 0.000 0.803 36 L CB 1.772 43.599 42.059 -0.387 0.000 1.207 36 L HN 0.686 nan 8.230 nan 0.000 0.445 37 S N -0.323 115.386 115.700 0.014 0.000 2.563 37 S HA 0.296 4.766 4.470 -0.000 0.000 0.279 37 S C 0.240 174.903 174.600 0.104 0.000 1.155 37 S CA -0.707 57.507 58.200 0.023 0.000 0.928 37 S CB 0.944 64.135 63.200 -0.015 0.000 1.107 37 S HN 0.711 nan 8.310 nan 0.000 0.462 38 K N 2.124 122.576 120.400 0.087 0.000 2.366 38 K HA 0.136 4.456 4.320 -0.000 0.000 0.198 38 K C 0.789 177.469 176.600 0.134 0.000 1.044 38 K CA 0.905 57.279 56.287 0.145 0.000 0.973 38 K CB -0.285 32.341 32.500 0.209 0.000 0.767 38 K HN 0.438 nan 8.250 nan 0.000 0.475 39 V N -2.007 117.977 119.914 0.117 0.000 3.166 39 V HA 0.453 4.573 4.120 -0.000 0.000 0.317 39 V C -0.266 175.917 176.094 0.149 0.000 1.136 39 V CA -1.469 60.918 62.300 0.145 0.000 1.035 39 V CB 0.928 32.828 31.823 0.129 0.000 1.110 39 V HN 0.109 nan 8.190 nan 0.000 0.450 40 F N 3.423 123.388 119.950 0.026 0.000 2.578 40 F HA 0.365 4.892 4.527 -0.000 0.000 0.381 40 F C -1.456 174.266 175.800 -0.129 0.000 1.069 40 F CA -1.346 56.629 58.000 -0.043 0.000 1.231 40 F CB 0.901 39.866 39.000 -0.059 0.000 1.086 40 F HN 0.433 nan 8.300 nan 0.000 0.564 41 P HA -0.266 nan 4.420 nan 0.000 0.219 41 P C 1.320 178.289 177.300 -0.551 0.000 1.153 41 P CA 2.720 65.439 63.100 -0.635 0.000 0.865 41 P CB -0.262 30.992 31.700 -0.744 0.000 0.788 42 T N -4.342 109.788 114.554 -0.705 0.000 3.169 42 T HA 0.105 4.455 4.350 -0.000 0.000 0.250 42 T C 1.247 175.869 174.700 -0.130 0.000 1.111 42 T CA -0.042 61.787 62.100 -0.451 0.000 1.010 42 T CB -0.420 68.046 68.868 -0.671 0.000 0.984 42 T HN 0.035 nan 8.240 nan 0.000 0.537 43 R N 0.984 121.473 120.500 -0.018 0.000 2.362 43 R HA 0.323 4.663 4.340 -0.000 0.000 0.227 43 R C 0.493 176.830 176.300 0.062 0.000 0.905 43 R CA -0.096 56.050 56.100 0.077 0.000 1.067 43 R CB -0.092 30.291 30.300 0.139 0.000 1.078 43 R HN 0.327 nan 8.270 nan 0.000 0.516 44 S N 1.234 116.936 115.700 0.003 0.000 2.566 44 S HA -0.067 4.403 4.470 -0.000 0.000 0.280 44 S C 1.128 175.777 174.600 0.083 0.000 1.343 44 S CA -0.169 58.050 58.200 0.031 0.000 1.036 44 S CB 0.635 63.821 63.200 -0.023 0.000 0.866 44 S HN 0.366 nan 8.310 nan 0.000 0.526 45 H N 2.195 121.269 119.070 0.007 0.000 2.457 45 H HA -0.090 4.466 4.556 -0.000 0.000 0.297 45 H C 1.871 177.213 175.328 0.023 0.000 1.092 45 H CA 2.240 58.297 56.048 0.015 0.000 1.309 45 H CB -0.627 29.135 29.762 0.001 0.000 1.382 45 H HN 0.631 nan 8.280 nan 0.000 0.535 46 T N -0.621 113.906 114.554 -0.047 0.000 2.822 46 T HA -0.188 4.162 4.350 -0.000 0.000 0.270 46 T C 2.182 176.837 174.700 -0.073 0.000 1.064 46 T CA 1.197 63.251 62.100 -0.076 0.000 1.131 46 T CB -0.676 68.178 68.868 -0.023 0.000 0.858 46 T HN 0.260 nan 8.240 nan 0.000 0.483 47 V N 1.197 121.088 119.914 -0.039 0.000 2.594 47 V HA -0.144 3.976 4.120 -0.000 0.000 0.253 47 V C 2.132 178.256 176.094 0.051 0.000 1.069 47 V CA 1.935 64.265 62.300 0.050 0.000 1.082 47 V CB -0.430 31.454 31.823 0.102 0.000 0.680 47 V HN 0.463 nan 8.190 nan 0.000 0.469 48 S N 0.184 115.833 115.700 -0.086 0.000 2.528 48 S HA 0.355 4.825 4.470 -0.000 0.000 0.219 48 S C 0.954 175.499 174.600 -0.091 0.000 0.985 48 S CA 0.390 58.532 58.200 -0.097 0.000 0.914 48 S CB -0.114 62.974 63.200 -0.187 0.000 0.776 48 S HN 0.710 nan 8.310 nan 0.000 0.526 49 A N 1.409 124.170 122.820 -0.098 0.000 2.498 49 A HA 0.288 4.608 4.320 -0.000 0.000 0.239 49 A C 0.841 178.451 177.584 0.042 0.000 1.068 49 A CA 0.002 52.029 52.037 -0.017 0.000 0.766 49 A CB 0.324 19.319 19.000 -0.009 0.000 1.003 49 A HN 0.446 nan 8.150 nan 0.000 0.497 50 Q N 1.985 121.831 119.800 0.077 0.000 2.618 50 Q HA 0.121 4.461 4.340 -0.000 0.000 0.209 50 Q C 2.170 178.248 176.000 0.131 0.000 0.797 50 Q CA 0.468 56.327 55.803 0.094 0.000 0.888 50 Q CB -0.060 28.730 28.738 0.086 0.000 1.244 50 Q HN 0.874 nan 8.270 nan 0.000 0.626 51 G N 0.769 109.693 108.800 0.207 0.000 2.514 51 G HA2 0.102 4.062 3.960 -0.000 0.000 0.217 51 G HA3 0.102 4.062 3.960 -0.000 0.000 0.217 51 G C 0.642 175.556 174.900 0.024 0.000 1.198 51 G CA 1.129 46.403 45.100 0.290 0.000 0.780 51 G HN 0.552 nan 8.290 nan 0.000 0.565 52 G N -1.530 107.212 108.800 -0.097 0.000 2.350 52 G HA2 0.293 4.252 3.960 -0.000 0.000 0.282 52 G HA3 0.293 4.252 3.960 -0.000 0.000 0.282 52 G C -1.473 173.331 174.900 -0.161 0.000 1.314 52 G CA -0.510 44.529 45.100 -0.102 0.000 0.915 52 G HN 0.561 nan 8.290 nan 0.000 0.499 53 I N 1.177 121.683 120.570 -0.106 0.000 2.382 53 I HA 0.396 4.566 4.170 -0.000 0.000 0.286 53 I C 0.138 176.147 176.117 -0.181 0.000 1.002 53 I CA -0.642 60.601 61.300 -0.094 0.000 1.135 53 I CB 1.950 39.959 38.000 0.016 0.000 1.288 53 I HN 0.334 nan 8.210 nan 0.000 0.448 54 T N 5.957 120.393 114.554 -0.197 0.000 2.761 54 T HA 0.439 4.789 4.350 -0.000 0.000 0.296 54 T C -0.377 174.166 174.700 -0.261 0.000 0.934 54 T CA -0.221 61.724 62.100 -0.259 0.000 1.091 54 T CB 1.036 69.776 68.868 -0.213 0.000 0.896 54 T HN 0.421 nan 8.240 nan 0.000 0.515 55 V N 2.635 122.345 119.914 -0.340 0.000 2.915 55 V HA 0.580 4.700 4.120 -0.000 0.000 0.282 55 V C -0.760 175.205 176.094 -0.215 0.000 1.445 55 V CA -0.954 61.207 62.300 -0.232 0.000 0.953 55 V CB 1.589 33.337 31.823 -0.126 0.000 1.140 55 V HN 0.978 nan 8.190 nan 0.000 0.440 56 A N 6.738 129.498 122.820 -0.100 0.000 3.030 56 A HA 0.385 4.705 4.320 -0.000 0.000 0.273 56 A C 0.907 178.426 177.584 -0.109 0.000 1.841 56 A CA 0.141 52.131 52.037 -0.079 0.000 1.479 56 A CB -0.573 18.453 19.000 0.043 0.000 1.048 56 A HN 0.975 nan 8.150 nan 0.000 0.612 57 L N 1.275 122.396 121.223 -0.170 0.000 2.179 57 L HA 0.110 4.450 4.340 -0.000 0.000 0.208 57 L C 1.823 178.587 176.870 -0.177 0.000 1.096 57 L CA 0.797 55.532 54.840 -0.174 0.000 0.779 57 L CB -0.343 41.586 42.059 -0.217 0.000 0.922 57 L HN 0.809 nan 8.230 nan 0.000 0.443 58 G N 0.667 109.329 108.800 -0.231 0.000 2.272 58 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.280 58 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.280 58 G C 0.396 175.165 174.900 -0.217 0.000 1.067 58 G CA 0.501 45.444 45.100 -0.261 0.000 0.902 58 G HN 0.316 nan 8.290 nan 0.000 0.500 59 N N -0.450 118.113 118.700 -0.229 0.000 2.349 59 N HA 0.015 4.755 4.740 -0.000 0.000 0.180 59 N C 2.372 177.800 175.510 -0.137 0.000 1.024 59 N CA 1.563 54.518 53.050 -0.159 0.000 0.869 59 N CB -0.371 38.024 38.487 -0.152 0.000 1.022 59 N HN 0.357 nan 8.380 nan 0.000 0.433 60 T N 0.208 114.648 114.554 -0.191 0.000 2.821 60 T HA -0.059 4.291 4.350 -0.000 0.000 0.267 60 T C 0.185 174.894 174.700 0.014 0.000 1.046 60 T CA 1.336 63.381 62.100 -0.092 0.000 1.139 60 T CB -0.190 68.623 68.868 -0.092 0.000 0.871 60 T HN 0.596 nan 8.240 nan 0.000 0.454 61 H N -1.190 117.867 119.070 -0.021 0.000 3.017 61 H HA 0.657 5.213 4.556 -0.000 0.000 0.346 61 H C -0.961 174.378 175.328 0.019 0.000 1.286 61 H CA -1.174 54.881 56.048 0.011 0.000 1.120 61 H CB 0.678 30.458 29.762 0.031 0.000 1.860 61 H HN -0.031 nan 8.280 nan 0.000 0.542 62 E N 0.580 120.867 120.200 0.146 0.000 2.452 62 E HA 0.072 4.422 4.350 -0.000 0.000 0.261 62 E C -0.782 175.932 176.600 0.190 0.000 0.987 62 E CA 0.505 56.959 56.400 0.091 0.000 0.926 62 E CB 0.425 30.195 29.700 0.116 0.000 0.934 62 E HN 0.531 nan 8.360 nan 0.000 0.452 63 D N 2.112 122.470 120.400 -0.070 0.000 2.636 63 D HA 0.394 5.034 4.640 -0.000 0.000 0.275 63 D C -1.606 174.350 176.300 -0.574 0.000 1.130 63 D CA -0.618 53.295 54.000 -0.145 0.000 1.031 63 D CB 1.353 42.066 40.800 -0.145 0.000 1.451 63 D HN 0.371 nan 8.370 nan 0.000 0.505 64 N N 1.083 119.297 118.700 -0.810 0.000 2.455 64 N HA 0.053 4.793 4.740 -0.000 0.000 0.285 64 N C 0.907 176.119 175.510 -0.497 0.000 1.080 64 N CA -0.611 51.882 53.050 -0.927 0.000 0.932 64 N CB 0.888 38.257 38.487 -1.863 0.000 1.610 64 N HN 0.663 nan 8.380 nan 0.000 0.493 65 W N 3.845 125.005 121.300 -0.233 0.000 2.364 65 W HA -0.076 4.584 4.660 -0.000 0.000 0.281 65 W C 0.486 177.022 176.519 0.028 0.000 1.219 65 W CA 0.703 58.020 57.345 -0.045 0.000 1.220 65 W CB -0.242 29.192 29.460 -0.043 0.000 1.127 65 W HN 0.576 nan 8.180 nan 0.000 0.556 66 E N 0.206 119.890 120.200 -0.860 0.000 2.106 66 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 66 E C 2.014 178.619 176.600 0.008 0.000 0.984 66 E CA 1.741 57.794 56.400 -0.578 0.000 0.806 66 E CB -0.588 28.773 29.700 -0.565 0.000 0.750 66 E HN 0.206 nan 8.360 nan 0.000 0.458 67 W N 0.619 121.697 121.300 -0.371 0.000 2.338 67 W HA -0.157 4.503 4.660 0.000 0.000 0.304 67 W C 2.126 178.658 176.519 0.023 0.000 1.212 67 W CA 0.973 58.096 57.345 -0.369 0.000 1.264 67 W CB -1.394 27.846 29.460 -0.367 0.000 1.142 67 W HN 0.349 nan 8.180 nan 0.000 0.512 68 H N -0.655 118.540 119.070 0.210 0.000 2.389 68 H HA -0.128 4.428 4.556 -0.000 0.000 0.299 68 H C 2.295 177.732 175.328 0.183 0.000 1.081 68 H CA 1.455 57.613 56.048 0.183 0.000 1.345 68 H CB -0.106 29.752 29.762 0.160 0.000 1.393 68 H HN 0.004 nan 8.280 nan 0.000 0.520 69 M N 0.209 119.903 119.600 0.157 0.000 2.117 69 M HA -0.231 4.248 4.480 -0.000 0.000 0.262 69 M C 2.186 178.491 176.300 0.009 0.000 1.065 69 M CA 1.703 57.088 55.300 0.141 0.000 1.114 69 M CB -0.359 32.490 32.600 0.414 0.000 1.361 69 M HN 0.371 nan 8.290 nan 0.000 0.408 70 Y N 1.373 121.579 120.300 -0.157 0.000 2.097 70 Y HA -0.308 4.242 4.550 -0.000 0.000 0.282 70 Y C 1.831 177.550 175.900 -0.302 0.000 1.152 70 Y CA 2.270 60.014 58.100 -0.592 0.000 1.136 70 Y CB -0.542 37.787 38.460 -0.218 0.000 0.975 70 Y HN 0.322 nan 8.280 nan 0.000 0.498 71 D N -0.640 119.758 120.400 -0.003 0.000 2.149 71 D HA -0.167 4.473 4.640 -0.000 0.000 0.198 71 D C 2.080 178.319 176.300 -0.101 0.000 0.990 71 D CA 2.029 56.025 54.000 -0.008 0.000 0.839 71 D CB -0.382 40.541 40.800 0.205 0.000 0.948 71 D HN 0.437 nan 8.370 nan 0.000 0.460 72 T N 0.210 114.716 114.554 -0.080 0.000 2.812 72 T HA -0.043 4.307 4.350 -0.000 0.000 0.264 72 T C 2.304 176.901 174.700 -0.171 0.000 1.042 72 T CA 0.534 62.594 62.100 -0.068 0.000 1.140 72 T CB -0.232 68.602 68.868 -0.057 0.000 0.870 72 T HN -0.032 nan 8.240 nan 0.000 0.445 73 V N 1.716 121.462 119.914 -0.279 0.000 2.295 73 V HA -0.162 3.958 4.120 -0.000 0.000 0.246 73 V C 2.539 178.242 176.094 -0.652 0.000 1.049 73 V CA 1.608 63.703 62.300 -0.343 0.000 1.024 73 V CB -0.545 31.125 31.823 -0.256 0.000 0.648 73 V HN 0.415 nan 8.190 nan 0.000 0.447 74 K N 0.306 120.227 120.400 -0.798 0.000 2.009 74 K HA -0.170 4.150 4.320 -0.000 0.000 0.210 74 K C 2.247 178.581 176.600 -0.443 0.000 1.049 74 K CA 1.769 57.546 56.287 -0.851 0.000 0.929 74 K CB -0.816 31.230 32.500 -0.758 0.000 0.714 74 K HN 0.467 nan 8.250 nan 0.000 0.440 75 G N 0.715 109.389 108.800 -0.211 0.000 2.556 75 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.220 75 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.220 75 G C 1.443 176.324 174.900 -0.032 0.000 1.156 75 G CA 1.608 46.703 45.100 -0.008 0.000 0.766 75 G HN 0.541 nan 8.290 nan 0.000 0.583 76 S N -0.035 115.604 115.700 -0.100 0.000 2.595 76 S HA -0.024 4.446 4.470 -0.000 0.000 0.235 76 S C 1.083 175.661 174.600 -0.037 0.000 0.974 76 S CA 1.146 59.322 58.200 -0.039 0.000 0.942 76 S CB -0.186 62.991 63.200 -0.038 0.000 0.766 76 S HN 0.375 nan 8.310 nan 0.000 0.536 77 D N 0.526 120.865 120.400 -0.102 0.000 2.701 77 D HA -0.261 4.379 4.640 -0.000 0.000 0.235 77 D C -0.500 175.867 176.300 0.112 0.000 1.155 77 D CA 1.030 55.031 54.000 0.002 0.000 0.649 77 D CB -1.925 38.938 40.800 0.106 0.000 1.050 77 D HN 0.689 nan 8.370 nan 0.000 0.425 78 Y N -3.619 116.691 120.300 0.017 0.000 4.798 78 Y HA -0.344 4.206 4.550 -0.000 0.000 0.237 78 Y C 1.620 177.528 175.900 0.012 0.000 1.017 78 Y CA 1.231 59.343 58.100 0.020 0.000 2.010 78 Y CB -2.323 36.151 38.460 0.024 0.000 1.582 78 Y HN 0.505 nan 8.280 nan 0.000 0.621 79 I N -2.462 118.154 120.570 0.077 0.000 4.025 79 I HA 0.538 4.708 4.170 -0.000 0.000 0.336 79 I C 1.221 177.346 176.117 0.014 0.000 1.390 79 I CA 0.122 61.410 61.300 -0.020 0.000 1.099 79 I CB 0.392 38.353 38.000 -0.065 0.000 1.049 79 I HN 0.122 nan 8.210 nan 0.000 0.394 80 G N 1.665 110.505 108.800 0.066 0.000 2.364 80 G HA2 0.146 4.106 3.960 -0.000 0.000 0.267 80 G HA3 0.146 4.106 3.960 -0.000 0.000 0.267 80 G C -0.463 174.509 174.900 0.120 0.000 1.233 80 G CA -0.335 44.827 45.100 0.105 0.000 0.885 80 G HN 0.240 nan 8.290 nan 0.000 0.490 81 D N 2.334 122.836 120.400 0.169 0.000 2.451 81 D HA -0.034 4.606 4.640 -0.000 0.000 0.254 81 D C 1.251 177.622 176.300 0.118 0.000 1.204 81 D CA 0.630 54.719 54.000 0.147 0.000 0.896 81 D CB 1.556 42.427 40.800 0.118 0.000 1.136 81 D HN 0.524 nan 8.370 nan 0.000 0.499 82 Q N 1.290 121.171 119.800 0.136 0.000 2.245 82 Q HA -0.118 4.222 4.340 -0.000 0.000 0.201 82 Q C 1.557 177.662 176.000 0.174 0.000 0.955 82 Q CA 0.659 56.563 55.803 0.169 0.000 0.870 82 Q CB 0.282 29.143 28.738 0.206 0.000 0.945 82 Q HN 0.527 nan 8.270 nan 0.000 0.461 83 D N 0.584 121.068 120.400 0.139 0.000 2.144 83 D HA -0.177 4.463 4.640 -0.000 0.000 0.199 83 D C 1.617 178.013 176.300 0.160 0.000 0.984 83 D CA 1.495 55.574 54.000 0.131 0.000 0.834 83 D CB -0.252 40.597 40.800 0.083 0.000 0.955 83 D HN 0.178 nan 8.370 nan 0.000 0.465 84 A N 0.838 123.745 122.820 0.145 0.000 1.872 84 A HA 0.035 4.355 4.320 -0.000 0.000 0.214 84 A C 2.575 180.333 177.584 0.290 0.000 1.187 84 A CA 0.970 53.131 52.037 0.207 0.000 0.614 84 A CB -0.776 18.265 19.000 0.067 0.000 0.826 84 A HN 0.245 nan 8.150 nan 0.000 0.442 85 I N -0.384 120.299 120.570 0.189 0.000 2.361 85 I HA -0.241 3.929 4.170 -0.000 0.000 0.251 85 I C 2.547 178.766 176.117 0.170 0.000 1.133 85 I CA 1.598 62.988 61.300 0.151 0.000 1.413 85 I CB -0.220 37.839 38.000 0.098 0.000 1.073 85 I HN 0.537 nan 8.210 nan 0.000 0.424 86 E N 0.656 120.989 120.200 0.222 0.000 2.028 86 E HA -0.290 4.060 4.350 -0.000 0.000 0.191 86 E C 2.289 178.917 176.600 0.046 0.000 0.988 86 E CA 1.457 57.995 56.400 0.232 0.000 0.799 86 E CB -0.217 29.643 29.700 0.266 0.000 0.755 86 E HN 0.481 nan 8.360 nan 0.000 0.447 87 Y N 1.116 121.409 120.300 -0.012 0.000 2.128 87 Y HA -0.286 4.264 4.550 -0.000 0.000 0.284 87 Y C 2.437 178.241 175.900 -0.160 0.000 1.154 87 Y CA 2.431 60.481 58.100 -0.083 0.000 1.149 87 Y CB -0.315 38.154 38.460 0.015 0.000 0.976 87 Y HN 0.079 nan 8.280 nan 0.000 0.505 88 M N -0.986 118.610 119.600 -0.007 0.000 2.059 88 M HA -0.275 4.205 4.480 -0.000 0.000 0.259 88 M C 2.242 178.419 176.300 -0.206 0.000 1.072 88 M CA 2.441 57.632 55.300 -0.181 0.000 1.117 88 M CB -0.735 31.887 32.600 0.037 0.000 1.320 88 M HN 0.456 nan 8.290 nan 0.000 0.408 89 C N 0.398 119.626 119.300 -0.119 0.000 2.422 89 C HA -0.130 4.330 4.460 -0.000 0.000 0.279 89 C C 2.682 177.627 174.990 -0.075 0.000 1.305 89 C CA 1.374 60.355 59.018 -0.062 0.000 1.757 89 C CB -1.034 26.689 27.740 -0.028 0.000 1.962 89 C HN 0.609 nan 8.230 nan 0.000 0.499 90 K N 0.930 121.075 120.400 -0.425 0.000 2.044 90 K HA -0.070 4.250 4.320 -0.000 0.000 0.204 90 K C 1.871 178.121 176.600 -0.582 0.000 1.049 90 K CA 1.997 57.754 56.287 -0.883 0.000 0.945 90 K CB -0.648 30.988 32.500 -1.441 0.000 0.724 90 K HN 0.355 nan 8.250 nan 0.000 0.440 91 T N 0.238 114.443 114.554 -0.581 0.000 2.737 91 T HA -0.030 4.320 4.350 -0.000 0.000 0.265 91 T C 1.686 176.181 174.700 -0.342 0.000 1.038 91 T CA 1.235 63.018 62.100 -0.529 0.000 1.144 91 T CB -1.092 67.285 68.868 -0.818 0.000 0.866 91 T HN 0.507 nan 8.240 nan 0.000 0.434 92 G N 2.952 111.581 108.800 -0.284 0.000 2.913 92 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.269 92 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.269 92 G C -0.660 174.157 174.900 -0.138 0.000 1.091 92 G CA 1.762 46.769 45.100 -0.155 0.000 0.753 92 G HN 0.386 nan 8.290 nan 0.000 0.776 93 P HA -0.110 nan 4.420 nan 0.000 0.216 93 P C 1.751 178.970 177.300 -0.135 0.000 1.157 93 P CA 1.845 64.870 63.100 -0.124 0.000 0.880 93 P CB -0.129 31.506 31.700 -0.107 0.000 0.791 94 E N -0.450 119.665 120.200 -0.142 0.000 2.072 94 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 94 E C 1.916 178.441 176.600 -0.124 0.000 0.985 94 E CA 1.295 57.617 56.400 -0.130 0.000 0.801 94 E CB -0.494 29.131 29.700 -0.126 0.000 0.750 94 E HN 0.055 nan 8.360 nan 0.000 0.452 95 A N 1.144 123.884 122.820 -0.133 0.000 1.972 95 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 95 A C 2.045 179.583 177.584 -0.076 0.000 1.169 95 A CA 1.164 53.136 52.037 -0.109 0.000 0.635 95 A CB -0.315 18.605 19.000 -0.134 0.000 0.810 95 A HN 0.287 nan 8.150 nan 0.000 0.446 96 I N -0.439 120.085 120.570 -0.078 0.000 2.339 96 I HA -0.070 4.100 4.170 -0.000 0.000 0.245 96 I C 2.382 178.472 176.117 -0.045 0.000 1.096 96 I CA 0.685 61.966 61.300 -0.032 0.000 1.408 96 I CB -1.443 36.525 38.000 -0.053 0.000 1.092 96 I HN 0.255 nan 8.210 nan 0.000 0.423 97 L N 0.567 121.710 121.223 -0.133 0.000 2.129 97 L HA -0.252 4.087 4.340 -0.000 0.000 0.212 97 L C 2.491 179.161 176.870 -0.334 0.000 1.087 97 L CA 1.354 56.055 54.840 -0.231 0.000 0.757 97 L CB -0.468 41.436 42.059 -0.257 0.000 0.896 97 L HN 0.353 nan 8.230 nan 0.000 0.434 98 E N 0.413 120.499 120.200 -0.191 0.000 2.058 98 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 98 E C 2.324 178.899 176.600 -0.041 0.000 0.997 98 E CA 1.157 57.492 56.400 -0.110 0.000 0.801 98 E CB -0.033 29.637 29.700 -0.049 0.000 0.746 98 E HN 0.469 nan 8.360 nan 0.000 0.450 99 L N 0.817 122.037 121.223 -0.005 0.000 2.083 99 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 99 L C 2.730 179.635 176.870 0.060 0.000 1.083 99 L CA 0.981 55.840 54.840 0.032 0.000 0.752 99 L CB -0.524 41.572 42.059 0.062 0.000 0.899 99 L HN 0.176 nan 8.230 nan 0.000 0.433 100 E N 0.355 120.630 120.200 0.124 0.000 2.110 100 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 100 E C 1.985 178.673 176.600 0.146 0.000 0.988 100 E CA 1.466 57.974 56.400 0.180 0.000 0.804 100 E CB -0.072 29.744 29.700 0.193 0.000 0.745 100 E HN 0.655 nan 8.360 nan 0.000 0.458 101 H N -1.072 118.031 119.070 0.056 0.000 2.495 101 H HA 0.045 4.601 4.556 -0.000 0.000 0.287 101 H C 1.899 177.229 175.328 0.005 0.000 1.033 101 H CA 0.602 56.663 56.048 0.023 0.000 1.307 101 H CB 0.129 29.896 29.762 0.010 0.000 1.401 101 H HN 0.124 nan 8.280 nan 0.000 0.555 102 M N -0.575 119.090 119.600 0.109 0.000 2.619 102 M HA 0.067 4.547 4.480 -0.000 0.000 0.251 102 M C 1.334 177.642 176.300 0.013 0.000 1.106 102 M CA 0.862 56.185 55.300 0.038 0.000 1.086 102 M CB 0.889 33.493 32.600 0.007 0.000 1.465 102 M HN 0.531 nan 8.290 nan 0.000 0.506 103 G N 0.996 109.812 108.800 0.026 0.000 2.184 103 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.206 103 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.206 103 G C 0.021 174.895 174.900 -0.042 0.000 0.995 103 G CA -0.547 44.556 45.100 0.005 0.000 0.651 103 G HN 0.395 nan 8.290 nan 0.000 0.511 104 L N 2.749 123.913 121.223 -0.098 0.000 2.640 104 L HA 0.256 4.596 4.340 -0.000 0.000 0.280 104 L C -1.203 175.499 176.870 -0.280 0.000 1.229 104 L CA -0.549 54.136 54.840 -0.258 0.000 0.919 104 L CB 0.665 42.450 42.059 -0.458 0.000 1.168 104 L HN 0.025 nan 8.230 nan 0.000 0.496 105 P HA 0.114 nan 4.420 nan 0.000 0.219 105 P C -0.617 176.632 177.300 -0.084 0.000 1.832 105 P CA -0.312 62.723 63.100 -0.108 0.000 1.014 105 P CB -0.285 31.382 31.700 -0.055 0.000 1.939 106 F N 0.486 120.453 119.950 0.027 0.000 2.595 106 F HA 0.001 4.528 4.527 -0.000 0.000 0.359 106 F C 1.714 177.537 175.800 0.039 0.000 1.147 106 F CA 0.778 58.800 58.000 0.036 0.000 1.341 106 F CB -0.015 39.003 39.000 0.031 0.000 1.104 106 F HN 0.078 nan 8.300 nan 0.000 0.603 107 S N 3.002 118.870 115.700 0.279 0.000 2.596 107 S HA 0.437 4.907 4.470 -0.000 0.000 0.260 107 S C 0.117 174.820 174.600 0.172 0.000 1.336 107 S CA -0.675 57.608 58.200 0.139 0.000 0.993 107 S CB 0.526 63.736 63.200 0.016 0.000 0.923 107 S HN 0.330 nan 8.310 nan 0.000 0.567 108 R N 0.568 121.123 120.500 0.091 0.000 2.744 108 R HA 0.497 4.837 4.340 -0.000 0.000 0.279 108 R C -0.774 175.597 176.300 0.117 0.000 0.977 108 R CA -0.653 55.511 56.100 0.107 0.000 0.906 108 R CB 0.792 31.133 30.300 0.068 0.000 1.197 108 R HN 0.505 nan 8.270 nan 0.000 0.463 109 L N 1.318 122.618 121.223 0.129 0.000 2.456 109 L HA 0.159 4.499 4.340 -0.000 0.000 0.257 109 L C 1.128 178.037 176.870 0.065 0.000 1.162 109 L CA -0.458 54.450 54.840 0.114 0.000 0.808 109 L CB 0.517 42.627 42.059 0.085 0.000 1.136 109 L HN 0.474 nan 8.230 nan 0.000 0.466 110 D N 0.354 120.787 120.400 0.054 0.000 2.182 110 D HA -0.179 4.460 4.640 -0.000 0.000 0.201 110 D C 1.258 177.575 176.300 0.029 0.000 0.986 110 D CA 1.308 55.330 54.000 0.036 0.000 0.847 110 D CB -0.224 40.595 40.800 0.032 0.000 0.942 110 D HN 0.640 nan 8.370 nan 0.000 0.467 111 D N -1.165 119.252 120.400 0.029 0.000 2.349 111 D HA 0.107 4.747 4.640 -0.000 0.000 0.224 111 D C 1.546 177.859 176.300 0.022 0.000 1.029 111 D CA 0.824 54.837 54.000 0.022 0.000 0.879 111 D CB -0.012 40.798 40.800 0.017 0.000 0.906 111 D HN 0.238 nan 8.370 nan 0.000 0.528 112 G N -0.187 108.630 108.800 0.028 0.000 2.195 112 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.224 112 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.224 112 G C 0.370 175.289 174.900 0.032 0.000 0.990 112 G CA -0.185 44.934 45.100 0.031 0.000 0.639 112 G HN 0.435 nan 8.290 nan 0.000 0.514 113 R N -0.151 120.362 120.500 0.021 0.000 2.577 113 R HA 0.600 4.940 4.340 -0.000 0.000 0.269 113 R C 0.801 177.103 176.300 0.002 0.000 1.084 113 R CA -0.689 55.410 56.100 -0.002 0.000 1.163 113 R CB 0.727 31.011 30.300 -0.027 0.000 1.100 113 R HN 0.260 nan 8.270 nan 0.000 0.547 114 I N 2.185 122.719 120.570 -0.060 0.000 2.741 114 I HA -0.160 4.010 4.170 -0.000 0.000 0.288 114 I C 0.289 176.371 176.117 -0.058 0.000 1.192 114 I CA 0.358 61.592 61.300 -0.111 0.000 1.426 114 I CB -0.163 37.599 38.000 -0.396 0.000 1.367 114 I HN 0.428 nan 8.210 nan 0.000 0.563 115 Y N 7.535 127.787 120.300 -0.079 0.000 2.620 115 Y HA 0.078 4.628 4.550 -0.000 0.000 0.330 115 Y C -0.026 175.821 175.900 -0.087 0.000 1.186 115 Y CA 0.110 58.180 58.100 -0.050 0.000 1.467 115 Y CB 0.347 38.811 38.460 0.007 0.000 1.262 115 Y HN 0.504 nan 8.280 nan 0.000 0.550 116 Q N 6.557 125.928 119.800 -0.716 0.000 2.321 116 Q HA 0.391 4.731 4.340 -0.000 0.000 0.270 116 Q C -1.088 174.430 176.000 -0.804 0.000 1.032 116 Q CA -1.108 54.327 55.803 -0.613 0.000 0.784 116 Q CB 2.027 30.541 28.738 -0.375 0.000 1.264 116 Q HN 0.760 nan 8.270 nan 0.000 0.448 117 R N 1.158 121.350 120.500 -0.514 0.000 2.668 117 R HA 0.698 5.038 4.340 -0.000 0.000 0.279 117 R C -2.778 173.523 176.300 0.001 0.000 0.976 117 R CA -2.124 53.839 56.100 -0.228 0.000 0.978 117 R CB 0.640 30.981 30.300 0.069 0.000 1.133 117 R HN 0.186 nan 8.270 nan 0.000 0.484 118 P HA 0.142 nan 4.420 nan 0.000 0.269 118 P C -1.321 176.146 177.300 0.279 0.000 1.215 118 P CA 0.020 63.200 63.100 0.132 0.000 0.780 118 P CB 0.327 32.077 31.700 0.083 0.000 0.898 119 F N -0.529 119.412 119.950 -0.016 0.000 2.741 119 F HA 0.477 5.004 4.527 0.000 0.000 0.313 119 F C 0.223 176.000 175.800 -0.038 0.000 1.153 119 F CA -0.519 57.468 58.000 -0.022 0.000 0.931 119 F CB 1.153 40.140 39.000 -0.021 0.000 1.335 119 F HN 0.320 nan 8.300 nan 0.000 0.460 120 G N 0.868 109.619 108.800 -0.083 0.000 2.254 120 G HA2 0.409 4.369 3.960 -0.000 0.000 0.253 120 G HA3 0.409 4.369 3.960 -0.000 0.000 0.253 120 G C 0.639 175.528 174.900 -0.019 0.000 1.246 120 G CA 0.463 45.492 45.100 -0.119 0.000 0.946 120 G HN 1.719 nan 8.290 nan 0.000 0.474 121 G N 1.559 110.325 108.800 -0.057 0.000 2.326 121 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.286 121 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.286 121 G C 0.006 174.986 174.900 0.134 0.000 1.096 121 G CA 0.235 45.362 45.100 0.044 0.000 1.003 121 G HN 0.906 nan 8.290 nan 0.000 0.503 122 Q N -0.144 119.727 119.800 0.118 0.000 2.310 122 Q HA 0.638 4.978 4.340 -0.000 0.000 0.270 122 Q C -0.228 175.827 176.000 0.092 0.000 1.025 122 Q CA -0.181 55.696 55.803 0.125 0.000 0.772 122 Q CB 2.227 31.033 28.738 0.114 0.000 1.253 122 Q HN 0.807 nan 8.270 nan 0.000 0.450 123 S N 1.455 117.208 115.700 0.087 0.000 2.540 123 S HA 0.566 5.036 4.470 -0.000 0.000 0.275 123 S C -0.834 173.673 174.600 -0.156 0.000 1.123 123 S CA -1.130 57.056 58.200 -0.025 0.000 0.907 123 S CB 1.779 64.979 63.200 -0.001 0.000 1.081 123 S HN 0.423 nan 8.310 nan 0.000 0.476 124 K N 1.448 121.630 120.400 -0.364 0.000 2.168 124 K HA 0.372 4.692 4.320 -0.000 0.000 0.258 124 K C -0.212 175.630 176.600 -1.263 0.000 1.010 124 K CA -0.564 55.166 56.287 -0.928 0.000 0.929 124 K CB -0.058 31.974 32.500 -0.781 0.000 0.998 124 K HN 0.809 nan 8.250 nan 0.000 0.479 125 N N 0.797 118.068 118.700 -2.381 0.000 2.725 125 N HA -0.209 4.531 4.740 -0.000 0.000 0.251 125 N C -1.270 173.827 175.510 -0.688 0.000 1.031 125 N CA 0.525 52.777 53.050 -1.331 0.000 0.720 125 N CB -1.642 36.466 38.487 -0.633 0.000 0.930 125 N HN 0.580 nan 8.380 nan 0.000 0.543 126 F N -1.585 117.912 119.950 -0.755 0.000 2.688 126 F HA -0.168 4.359 4.527 -0.000 0.000 0.276 126 F C 1.456 176.663 175.800 -0.989 0.000 1.034 126 F CA 1.114 58.526 58.000 -0.979 0.000 0.991 126 F CB -1.760 36.826 39.000 -0.691 0.000 1.119 126 F HN 0.504 nan 8.300 nan 0.000 0.837 127 G N -0.852 107.710 108.800 -0.397 0.000 2.134 127 G HA2 0.120 4.080 3.960 -0.000 0.000 0.209 127 G HA3 0.120 4.080 3.960 -0.000 0.000 0.209 127 G C 0.729 175.588 174.900 -0.067 0.000 0.993 127 G CA -0.081 45.017 45.100 -0.003 0.000 0.669 127 G HN 1.347 nan 8.290 nan 0.000 0.519 128 G N -0.506 108.185 108.800 -0.182 0.000 2.975 128 G HA2 0.554 4.514 3.960 -0.000 0.000 0.159 128 G HA3 0.554 4.514 3.960 -0.000 0.000 0.159 128 G C 0.314 175.133 174.900 -0.136 0.000 1.525 128 G CA 0.394 45.392 45.100 -0.171 0.000 1.075 128 G HN 0.703 nan 8.290 nan 0.000 0.574 129 E N -0.118 119.980 120.200 -0.169 0.000 2.408 129 E HA 0.122 4.472 4.350 -0.000 0.000 0.259 129 E C -0.115 176.405 176.600 -0.134 0.000 1.110 129 E CA -0.319 56.000 56.400 -0.135 0.000 0.929 129 E CB 0.499 30.111 29.700 -0.146 0.000 0.971 129 E HN 0.248 nan 8.360 nan 0.000 0.438 130 Q N 1.579 121.324 119.800 -0.092 0.000 2.271 130 Q HA 0.240 4.580 4.340 -0.000 0.000 0.273 130 Q C -1.237 174.696 176.000 -0.111 0.000 1.051 130 Q CA 0.207 55.971 55.803 -0.064 0.000 0.901 130 Q CB 0.937 29.656 28.738 -0.031 0.000 1.174 130 Q HN 0.516 nan 8.270 nan 0.000 0.385 131 A N 3.373 126.154 122.820 -0.065 0.000 2.256 131 A HA 0.852 5.172 4.320 -0.000 0.000 0.318 131 A C -0.859 176.792 177.584 0.111 0.000 1.103 131 A CA -0.186 51.830 52.037 -0.035 0.000 0.860 131 A CB 1.113 20.189 19.000 0.126 0.000 1.182 131 A HN 0.934 nan 8.150 nan 0.000 0.501 132 A N 0.642 123.653 122.820 0.317 0.000 2.545 132 A HA 0.590 4.910 4.320 -0.000 0.000 0.300 132 A C 0.166 177.782 177.584 0.054 0.000 1.252 132 A CA -0.512 51.616 52.037 0.152 0.000 0.753 132 A CB 0.207 19.259 19.000 0.087 0.000 1.144 132 A HN 1.052 nan 8.150 nan 0.000 0.457 133 R N 0.615 121.095 120.500 -0.034 0.000 2.590 133 R HA 0.213 4.553 4.340 -0.000 0.000 0.410 133 R C -0.816 175.345 176.300 -0.232 0.000 1.010 133 R CA -0.082 55.919 56.100 -0.165 0.000 1.155 133 R CB 0.158 30.361 30.300 -0.161 0.000 1.455 133 R HN 0.309 nan 8.270 nan 0.000 0.567 134 T N 1.864 116.281 114.554 -0.228 0.000 2.794 134 T HA 0.461 4.811 4.350 -0.000 0.000 0.304 134 T C 0.112 174.654 174.700 -0.264 0.000 0.973 134 T CA -0.222 61.687 62.100 -0.317 0.000 0.972 134 T CB 1.064 69.605 68.868 -0.545 0.000 0.952 134 T HN 0.398 nan 8.240 nan 0.000 0.509 135 A N 3.260 125.933 122.820 -0.246 0.000 2.440 135 A HA 0.739 5.059 4.320 -0.000 0.000 0.251 135 A C 0.423 178.009 177.584 0.004 0.000 1.089 135 A CA -0.489 51.415 52.037 -0.222 0.000 0.779 135 A CB 0.117 18.863 19.000 -0.424 0.000 1.022 135 A HN 1.015 nan 8.150 nan 0.000 0.492 136 A N 1.023 123.960 122.820 0.195 0.000 2.606 136 A HA 0.788 5.108 4.320 -0.000 0.000 0.293 136 A C -0.406 177.419 177.584 0.400 0.000 1.082 136 A CA 0.035 52.261 52.037 0.315 0.000 0.685 136 A CB 1.184 20.337 19.000 0.255 0.000 1.284 136 A HN 2.308 nan 8.150 nan 0.000 0.408 137 A N 1.142 124.112 122.820 0.251 0.000 2.399 137 A HA 0.783 5.103 4.320 -0.000 0.000 0.327 137 A C 0.897 178.532 177.584 0.085 0.000 1.367 137 A CA 0.749 52.871 52.037 0.142 0.000 0.842 137 A CB -0.670 18.354 19.000 0.040 0.000 1.142 137 A HN 2.838 nan 8.150 nan 0.000 0.495 138 A N 2.478 125.329 122.820 0.052 0.000 5.324 138 A HA -0.284 4.036 4.320 -0.000 0.000 0.337 138 A C 0.887 178.511 177.584 0.068 0.000 1.730 138 A CA 1.988 54.036 52.037 0.018 0.000 0.711 138 A CB -1.340 17.656 19.000 -0.008 0.000 1.434 138 A HN 1.626 nan 8.150 nan 0.000 0.400 139 D N -0.651 119.779 120.400 0.051 0.000 2.696 139 D HA 0.332 4.972 4.640 -0.000 0.000 0.269 139 D C 0.480 176.813 176.300 0.055 0.000 1.319 139 D CA -0.025 54.019 54.000 0.074 0.000 0.826 139 D CB -0.211 40.630 40.800 0.069 0.000 1.086 139 D HN 0.575 nan 8.370 nan 0.000 0.481 140 R N -0.149 120.380 120.500 0.048 0.000 2.700 140 R HA 0.220 4.560 4.340 -0.000 0.000 0.377 140 R C 0.637 176.992 176.300 0.091 0.000 1.130 140 R CA -0.110 56.019 56.100 0.048 0.000 1.055 140 R CB 0.411 30.707 30.300 -0.007 0.000 1.387 140 R HN 0.001 nan 8.270 nan 0.000 0.580 141 T N -0.078 114.525 114.554 0.082 0.000 2.788 141 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 141 T C 1.971 176.702 174.700 0.053 0.000 1.044 141 T CA 1.788 63.928 62.100 0.067 0.000 1.139 141 T CB -0.040 68.880 68.868 0.088 0.000 0.867 141 T HN 0.546 nan 8.240 nan 0.000 0.454 142 G N 0.413 109.251 108.800 0.065 0.000 2.418 142 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 142 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 142 G C 1.220 176.166 174.900 0.076 0.000 1.158 142 G CA 1.245 46.373 45.100 0.047 0.000 0.771 142 G HN 0.623 nan 8.290 nan 0.000 0.545 143 H N 1.179 120.270 119.070 0.035 0.000 2.253 143 H HA 0.017 4.573 4.556 -0.000 0.000 0.296 143 H C 2.769 178.165 175.328 0.113 0.000 1.074 143 H CA 2.501 58.612 56.048 0.106 0.000 1.263 143 H CB -0.439 29.362 29.762 0.065 0.000 1.363 143 H HN 0.267 nan 8.280 nan 0.000 0.489 144 A N 0.674 123.559 122.820 0.108 0.000 1.896 144 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 144 A C 2.511 180.042 177.584 -0.089 0.000 1.206 144 A CA 2.156 54.179 52.037 -0.024 0.000 0.647 144 A CB -1.279 17.681 19.000 -0.065 0.000 0.828 144 A HN 0.549 nan 8.150 nan 0.000 0.455 145 L N -1.234 119.941 121.223 -0.081 0.000 2.017 145 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 145 L C 2.292 179.127 176.870 -0.058 0.000 1.073 145 L CA 2.180 56.972 54.840 -0.080 0.000 0.745 145 L CB -0.539 41.494 42.059 -0.044 0.000 0.894 145 L HN 0.337 nan 8.230 nan 0.000 0.432 146 L N -0.852 120.336 121.223 -0.058 0.000 2.027 146 L HA -0.213 4.127 4.340 -0.000 0.000 0.206 146 L C 2.629 179.424 176.870 -0.124 0.000 1.074 146 L CA 1.811 56.591 54.840 -0.100 0.000 0.745 146 L CB -0.940 41.037 42.059 -0.137 0.000 0.898 146 L HN 0.412 nan 8.230 nan 0.000 0.433 147 H N -1.462 117.513 119.070 -0.157 0.000 2.421 147 H HA -0.094 4.462 4.556 -0.000 0.000 0.298 147 H C 1.925 177.229 175.328 -0.040 0.000 1.087 147 H CA 1.777 57.760 56.048 -0.110 0.000 1.330 147 H CB -0.036 29.574 29.762 -0.253 0.000 1.388 147 H HN 0.388 nan 8.280 nan 0.000 0.526 148 T N 0.992 115.562 114.554 0.026 0.000 2.777 148 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 148 T C 2.370 177.057 174.700 -0.022 0.000 1.040 148 T CA 0.579 62.671 62.100 -0.013 0.000 1.141 148 T CB -0.158 68.673 68.868 -0.061 0.000 0.868 148 T HN 0.184 nan 8.240 nan 0.000 0.444 149 L N -0.401 120.807 121.223 -0.025 0.000 2.217 149 L HA 0.013 4.353 4.340 -0.000 0.000 0.211 149 L C 2.309 179.165 176.870 -0.023 0.000 1.107 149 L CA 0.959 55.780 54.840 -0.032 0.000 0.783 149 L CB -0.474 41.566 42.059 -0.032 0.000 0.919 149 L HN 0.229 nan 8.230 nan 0.000 0.442 150 Y N 1.169 121.385 120.300 -0.140 0.000 2.133 150 Y HA -0.285 4.265 4.550 0.000 0.000 0.287 150 Y C 2.633 178.469 175.900 -0.107 0.000 1.134 150 Y CA 1.579 59.583 58.100 -0.161 0.000 1.133 150 Y CB -0.390 37.934 38.460 -0.228 0.000 0.987 150 Y HN 0.159 nan 8.280 nan 0.000 0.502 151 Q N -0.476 119.238 119.800 -0.144 0.000 2.152 151 Q HA -0.277 4.063 4.340 -0.000 0.000 0.206 151 Q C 2.140 178.011 176.000 -0.215 0.000 0.985 151 Q CA 1.771 57.459 55.803 -0.192 0.000 0.863 151 Q CB -0.207 28.499 28.738 -0.053 0.000 0.904 151 Q HN 0.509 nan 8.270 nan 0.000 0.422 152 Q N 0.098 119.803 119.800 -0.158 0.000 2.172 152 Q HA -0.037 4.303 4.340 -0.000 0.000 0.200 152 Q C 1.586 177.478 176.000 -0.179 0.000 0.964 152 Q CA 0.842 56.561 55.803 -0.139 0.000 0.855 152 Q CB -0.145 28.540 28.738 -0.087 0.000 0.918 152 Q HN 0.456 nan 8.270 nan 0.000 0.444 153 N N 0.237 118.809 118.700 -0.215 0.000 2.396 153 N HA -0.020 4.720 4.740 -0.000 0.000 0.180 153 N C 1.854 177.175 175.510 -0.315 0.000 1.028 153 N CA 0.401 53.315 53.050 -0.226 0.000 0.893 153 N CB 0.207 38.585 38.487 -0.182 0.000 0.967 153 N HN 0.236 nan 8.380 nan 0.000 0.440 154 L N 1.185 122.147 121.223 -0.435 0.000 2.023 154 L HA -0.111 4.229 4.340 -0.000 0.000 0.205 154 L C 2.556 179.166 176.870 -0.434 0.000 1.073 154 L CA 1.018 55.599 54.840 -0.432 0.000 0.745 154 L CB -0.384 41.398 42.059 -0.460 0.000 0.900 154 L HN 0.077 nan 8.230 nan 0.000 0.435 155 K N 0.387 120.577 120.400 -0.351 0.000 2.127 155 K HA -0.268 4.052 4.320 -0.000 0.000 0.208 155 K C 1.694 178.032 176.600 -0.436 0.000 1.047 155 K CA 1.853 57.937 56.287 -0.338 0.000 0.927 155 K CB -0.141 32.244 32.500 -0.192 0.000 0.716 155 K HN 0.292 nan 8.250 nan 0.000 0.450 156 N N -0.384 118.123 118.700 -0.321 0.000 2.322 156 N HA -0.084 4.656 4.740 -0.000 0.000 0.194 156 N C -0.802 174.645 175.510 -0.105 0.000 1.126 156 N CA 0.105 53.048 53.050 -0.179 0.000 0.845 156 N CB 0.208 38.632 38.487 -0.104 0.000 0.976 156 N HN 0.276 nan 8.380 nan 0.000 0.475 157 H N -0.244 118.780 119.070 -0.077 0.000 2.692 157 H HA -0.118 4.438 4.556 -0.000 0.000 0.316 157 H C -0.513 174.777 175.328 -0.063 0.000 1.176 157 H CA 0.881 56.889 56.048 -0.066 0.000 1.142 157 H CB -2.332 27.404 29.762 -0.044 0.000 1.475 157 H HN 0.184 nan 8.280 nan 0.000 0.423 158 T N 1.315 115.850 114.554 -0.032 0.000 2.901 158 T HA 0.120 4.470 4.350 -0.000 0.000 0.301 158 T C 0.980 175.650 174.700 -0.050 0.000 1.012 158 T CA -0.004 62.071 62.100 -0.042 0.000 1.135 158 T CB 0.845 69.664 68.868 -0.081 0.000 0.936 158 T HN 0.227 nan 8.240 nan 0.000 0.539 159 T N 4.900 119.424 114.554 -0.049 0.000 2.750 159 T HA 0.251 4.601 4.350 -0.000 0.000 0.286 159 T C 0.363 174.945 174.700 -0.197 0.000 0.911 159 T CA 0.036 62.067 62.100 -0.117 0.000 1.130 159 T CB -0.597 68.255 68.868 -0.027 0.000 0.873 159 T HN 0.373 nan 8.240 nan 0.000 0.536 160 I N 3.630 124.060 120.570 -0.233 0.000 2.362 160 I HA 0.342 4.512 4.170 -0.000 0.000 0.289 160 I C -0.453 175.507 176.117 -0.262 0.000 0.994 160 I CA -0.787 60.415 61.300 -0.163 0.000 1.158 160 I CB 1.285 39.260 38.000 -0.043 0.000 1.315 160 I HN 0.528 nan 8.210 nan 0.000 0.451 161 F N 4.738 124.610 119.950 -0.130 0.000 2.395 161 F HA 0.201 4.728 4.527 -0.000 0.000 0.347 161 F C 1.125 177.011 175.800 0.144 0.000 1.157 161 F CA -0.338 57.594 58.000 -0.114 0.000 1.272 161 F CB 0.774 39.393 39.000 -0.635 0.000 1.607 161 F HN 0.393 nan 8.300 nan 0.000 0.571 162 S N 2.055 117.957 115.700 0.336 0.000 2.549 162 S HA 0.090 4.560 4.470 -0.000 0.000 0.283 162 S C 0.532 175.409 174.600 0.462 0.000 1.320 162 S CA -0.119 58.281 58.200 0.333 0.000 1.058 162 S CB 0.173 63.565 63.200 0.318 0.000 0.882 162 S HN 0.733 nan 8.310 nan 0.000 0.498 163 E N 1.755 122.158 120.200 0.338 0.000 2.246 163 E HA -0.193 4.157 4.350 -0.000 0.000 0.211 163 E C -1.657 175.049 176.600 0.177 0.000 1.278 163 E CA 0.697 57.238 56.400 0.235 0.000 0.694 163 E CB -1.218 28.603 29.700 0.202 0.000 1.166 163 E HN 0.597 nan 8.360 nan 0.000 0.370 164 W N 0.691 122.054 121.300 0.105 0.000 2.656 164 W HA 0.431 5.091 4.660 0.000 0.000 0.327 164 W C -0.223 176.343 176.519 0.079 0.000 1.041 164 W CA -0.707 56.701 57.345 0.105 0.000 1.229 164 W CB 0.842 30.365 29.460 0.105 0.000 1.397 164 W HN 0.190 nan 8.180 nan 0.000 0.479 165 Y N 3.208 123.597 120.300 0.148 0.000 2.385 165 Y HA 0.616 5.166 4.550 -0.000 0.000 0.341 165 Y C 0.372 176.337 175.900 0.108 0.000 0.965 165 Y CA -1.026 57.116 58.100 0.070 0.000 1.180 165 Y CB 0.428 38.874 38.460 -0.023 0.000 1.139 165 Y HN 0.519 nan 8.280 nan 0.000 0.502 166 A N 7.192 129.833 122.820 -0.298 0.000 2.491 166 A HA 0.212 4.532 4.320 -0.000 0.000 0.261 166 A C 0.316 177.751 177.584 -0.249 0.000 1.101 166 A CA -0.061 51.855 52.037 -0.202 0.000 0.772 166 A CB 0.045 18.910 19.000 -0.225 0.000 1.043 166 A HN 1.092 nan 8.150 nan 0.000 0.501 167 L N 1.659 122.899 121.223 0.029 0.000 2.056 167 L HA 0.200 4.540 4.340 -0.000 0.000 0.202 167 L C 0.502 177.404 176.870 0.054 0.000 1.086 167 L CA 0.779 55.688 54.840 0.114 0.000 0.758 167 L CB -0.085 42.073 42.059 0.166 0.000 0.912 167 L HN 0.619 nan 8.230 nan 0.000 0.446 168 D N -1.630 118.800 120.400 0.050 0.000 2.599 168 D HA 0.399 5.038 4.640 -0.000 0.000 0.252 168 D C -1.146 175.173 176.300 0.031 0.000 1.232 168 D CA -0.519 53.501 54.000 0.034 0.000 0.819 168 D CB 2.505 43.330 40.800 0.042 0.000 1.401 168 D HN -0.137 nan 8.370 nan 0.000 0.429 169 L N 0.904 122.139 121.223 0.021 0.000 2.397 169 L HA 0.303 4.643 4.340 -0.000 0.000 0.271 169 L C 0.084 176.960 176.870 0.010 0.000 1.148 169 L CA -0.605 54.252 54.840 0.027 0.000 0.825 169 L CB 0.869 42.941 42.059 0.021 0.000 1.117 169 L HN 0.017 nan 8.230 nan 0.000 0.456 170 V N 3.683 123.605 119.914 0.012 0.000 2.383 170 V HA 0.251 4.371 4.120 -0.000 0.000 0.275 170 V C 0.220 176.307 176.094 -0.010 0.000 1.036 170 V CA -0.669 61.601 62.300 -0.050 0.000 0.889 170 V CB 1.070 32.786 31.823 -0.179 0.000 0.985 170 V HN 0.636 nan 8.190 nan 0.000 0.459 171 K N 4.161 124.546 120.400 -0.025 0.000 2.159 171 K HA 0.391 4.711 4.320 -0.000 0.000 0.266 171 K C 0.034 176.627 176.600 -0.012 0.000 0.975 171 K CA -0.652 55.630 56.287 -0.008 0.000 0.865 171 K CB 1.426 33.918 32.500 -0.013 0.000 1.087 171 K HN 0.842 nan 8.250 nan 0.000 0.446 172 N N 1.167 119.871 118.700 0.007 0.000 2.374 172 N HA -0.091 4.649 4.740 -0.000 0.000 0.284 172 N C 0.571 176.081 175.510 -0.001 0.000 1.280 172 N CA -0.085 52.970 53.050 0.008 0.000 0.963 172 N CB 0.259 38.761 38.487 0.026 0.000 1.141 172 N HN 0.606 nan 8.380 nan 0.000 0.565 173 Q N -1.969 117.831 119.800 0.001 0.000 2.482 173 Q HA 0.038 4.378 4.340 -0.000 0.000 0.209 173 Q C -0.562 175.436 176.000 -0.004 0.000 0.961 173 Q CA 0.894 56.694 55.803 -0.004 0.000 0.945 173 Q CB -0.108 28.629 28.738 -0.003 0.000 1.012 173 Q HN 0.476 nan 8.270 nan 0.000 0.515 174 D N 0.293 120.692 120.400 -0.002 0.000 2.369 174 D HA 0.126 4.766 4.640 -0.000 0.000 0.211 174 D C 0.697 176.992 176.300 -0.009 0.000 1.077 174 D CA 0.733 54.730 54.000 -0.004 0.000 0.842 174 D CB 0.909 41.708 40.800 -0.001 0.000 0.947 174 D HN 0.499 nan 8.370 nan 0.000 0.509 175 G N 1.058 109.852 108.800 -0.010 0.000 2.136 175 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.242 175 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.242 175 G C 0.402 175.293 174.900 -0.014 0.000 0.989 175 G CA 0.173 45.264 45.100 -0.015 0.000 0.682 175 G HN 0.563 nan 8.290 nan 0.000 0.522 176 A N -0.365 122.453 122.820 -0.004 0.000 2.306 176 A HA 0.783 5.103 4.320 -0.000 0.000 0.314 176 A C 0.422 178.017 177.584 0.018 0.000 1.164 176 A CA -0.216 51.822 52.037 0.002 0.000 0.822 176 A CB 1.524 20.531 19.000 0.011 0.000 1.130 176 A HN 1.108 nan 8.150 nan 0.000 0.496 177 V N 2.939 122.867 119.914 0.022 0.000 2.455 177 V HA 0.261 4.381 4.120 -0.000 0.000 0.273 177 V C 0.560 176.706 176.094 0.086 0.000 1.045 177 V CA 0.287 62.615 62.300 0.046 0.000 0.976 177 V CB 0.997 32.844 31.823 0.040 0.000 0.993 177 V HN 0.936 nan 8.190 nan 0.000 0.475 178 V N 2.598 122.581 119.914 0.115 0.000 2.759 178 V HA 0.899 5.018 4.120 -0.000 0.000 0.342 178 V C 0.504 176.757 176.094 0.264 0.000 1.228 178 V CA 0.278 62.677 62.300 0.166 0.000 1.302 178 V CB -0.512 31.410 31.823 0.164 0.000 1.496 178 V HN 1.313 nan 8.190 nan 0.000 0.628 179 G N -0.051 108.884 108.800 0.226 0.000 2.384 179 G HA2 0.175 4.135 3.960 -0.000 0.000 0.204 179 G HA3 0.175 4.135 3.960 -0.000 0.000 0.204 179 G C -0.379 174.681 174.900 0.266 0.000 1.237 179 G CA 0.170 45.441 45.100 0.285 0.000 1.060 179 G HN 2.195 nan 8.290 nan 0.000 0.514 180 C N -2.000 117.506 119.300 0.343 0.000 3.241 180 C HA 0.901 5.361 4.460 -0.000 0.000 0.348 180 C C 0.264 175.450 174.990 0.327 0.000 1.180 180 C CA 0.346 59.500 59.018 0.227 0.000 1.273 180 C CB 1.095 28.905 27.740 0.116 0.000 1.620 180 C HN 2.292 nan 8.230 nan 0.000 0.510 181 T N 0.573 115.249 114.554 0.204 0.000 2.909 181 T HA 0.763 5.113 4.350 -0.000 0.000 0.289 181 T C -0.028 174.828 174.700 0.259 0.000 1.005 181 T CA 0.361 62.601 62.100 0.232 0.000 1.084 181 T CB 1.334 70.274 68.868 0.120 0.000 0.975 181 T HN 2.389 nan 8.240 nan 0.000 0.509 182 A N 2.292 125.329 122.820 0.362 0.000 2.515 182 A HA 0.697 5.017 4.320 -0.000 0.000 0.298 182 A C -1.132 176.719 177.584 0.445 0.000 1.059 182 A CA -1.024 51.259 52.037 0.411 0.000 0.698 182 A CB 1.630 20.943 19.000 0.522 0.000 1.289 182 A HN 1.075 nan 8.150 nan 0.000 0.404 183 L N 2.086 123.513 121.223 0.340 0.000 2.282 183 L HA 0.636 4.976 4.340 -0.000 0.000 0.288 183 L C -0.120 176.714 176.870 -0.061 0.000 1.033 183 L CA -0.396 54.531 54.840 0.146 0.000 0.807 183 L CB 1.064 43.175 42.059 0.085 0.000 1.209 183 L HN 0.836 nan 8.230 nan 0.000 0.423 184 C N 6.481 125.469 119.300 -0.521 0.000 2.540 184 C HA 0.276 4.736 4.460 -0.000 0.000 0.377 184 C C 1.825 176.470 174.990 -0.574 0.000 1.274 184 C CA -0.467 57.866 59.018 -1.143 0.000 1.718 184 C CB -1.484 25.264 27.740 -1.654 0.000 2.391 184 C HN 0.988 nan 8.230 nan 0.000 0.565 185 I N 3.558 123.835 120.570 -0.488 0.000 2.226 185 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 185 I C 2.509 178.369 176.117 -0.429 0.000 1.100 185 I CA 1.759 62.767 61.300 -0.488 0.000 1.374 185 I CB -0.476 37.147 38.000 -0.627 0.000 1.057 185 I HN 0.837 nan 8.210 nan 0.000 0.413 186 E N 0.863 120.932 120.200 -0.218 0.000 2.038 186 E HA -0.274 4.076 4.350 -0.000 0.000 0.195 186 E C 2.036 178.649 176.600 0.022 0.000 1.000 186 E CA 2.421 58.887 56.400 0.111 0.000 0.803 186 E CB 0.041 29.828 29.700 0.145 0.000 0.750 186 E HN 0.586 nan 8.360 nan 0.000 0.448 187 T N -4.540 109.958 114.554 -0.093 0.000 2.990 187 T HA 0.340 4.690 4.350 -0.000 0.000 0.250 187 T C 1.457 176.108 174.700 -0.080 0.000 1.041 187 T CA 0.654 62.719 62.100 -0.059 0.000 1.010 187 T CB 0.865 69.706 68.868 -0.044 0.000 1.003 187 T HN 0.392 nan 8.240 nan 0.000 0.499 188 G N 1.353 110.066 108.800 -0.146 0.000 2.199 188 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.254 188 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.254 188 G C -0.113 174.730 174.900 -0.095 0.000 0.982 188 G CA 0.217 45.247 45.100 -0.117 0.000 0.632 188 G HN 0.813 nan 8.290 nan 0.000 0.529 189 E N 0.289 120.424 120.200 -0.107 0.000 2.442 189 E HA 0.369 4.719 4.350 -0.000 0.000 0.262 189 E C -0.012 176.583 176.600 -0.009 0.000 1.004 189 E CA 0.017 56.394 56.400 -0.038 0.000 0.928 189 E CB 0.611 30.317 29.700 0.010 0.000 0.937 189 E HN 0.189 nan 8.360 nan 0.000 0.446 190 V N 4.889 124.845 119.914 0.070 0.000 2.495 190 V HA 0.435 4.555 4.120 -0.000 0.000 0.298 190 V C -0.275 175.918 176.094 0.165 0.000 1.031 190 V CA -0.653 61.727 62.300 0.134 0.000 0.871 190 V CB 1.783 33.664 31.823 0.097 0.000 0.988 190 V HN 0.466 nan 8.190 nan 0.000 0.432 191 V N 3.730 123.780 119.914 0.226 0.000 3.007 191 V HA 0.428 4.548 4.120 -0.000 0.000 0.311 191 V C -1.523 174.634 176.094 0.105 0.000 1.120 191 V CA -0.856 61.504 62.300 0.100 0.000 0.980 191 V CB 2.538 34.341 31.823 -0.032 0.000 1.033 191 V HN 0.746 nan 8.190 nan 0.000 0.429 192 Y N 3.468 123.693 120.300 -0.126 0.000 2.385 192 Y HA 0.565 5.115 4.550 -0.000 0.000 0.341 192 Y C -0.773 175.014 175.900 -0.188 0.000 0.965 192 Y CA -2.042 56.013 58.100 -0.075 0.000 1.180 192 Y CB 0.698 39.139 38.460 -0.031 0.000 1.139 192 Y HN 0.472 nan 8.280 nan 0.000 0.502 193 F N 6.339 126.317 119.950 0.047 0.000 2.462 193 F HA 0.260 4.787 4.527 -0.000 0.000 0.354 193 F C 0.722 176.369 175.800 -0.256 0.000 1.192 193 F CA -0.260 57.652 58.000 -0.147 0.000 1.173 193 F CB 0.326 39.236 39.000 -0.151 0.000 1.402 193 F HN 0.357 nan 8.300 nan 0.000 0.595 194 K N 2.950 123.036 120.400 -0.523 0.000 2.298 194 K HA 0.693 5.013 4.320 -0.000 0.000 0.280 194 K C -0.593 175.977 176.600 -0.050 0.000 1.032 194 K CA -0.170 55.824 56.287 -0.489 0.000 0.958 194 K CB 0.629 32.723 32.500 -0.676 0.000 0.978 194 K HN 0.684 nan 8.250 nan 0.000 0.472 195 A N 3.772 126.620 122.820 0.047 0.000 2.610 195 A HA 0.379 4.699 4.320 -0.000 0.000 0.291 195 A C -0.382 177.256 177.584 0.091 0.000 1.086 195 A CA -0.856 51.233 52.037 0.087 0.000 0.677 195 A CB 1.413 20.479 19.000 0.109 0.000 1.278 195 A HN 0.875 nan 8.150 nan 0.000 0.414 196 R N -0.057 120.493 120.500 0.083 0.000 2.254 196 R HA 0.441 4.781 4.340 -0.000 0.000 0.195 196 R C 0.456 176.843 176.300 0.146 0.000 0.957 196 R CA 1.234 57.392 56.100 0.096 0.000 1.024 196 R CB 0.519 30.862 30.300 0.072 0.000 0.952 196 R HN 0.825 nan 8.270 nan 0.000 0.484 197 A N 0.550 123.438 122.820 0.113 0.000 2.385 197 A HA 0.477 4.797 4.320 -0.000 0.000 0.290 197 A C -0.914 176.725 177.584 0.092 0.000 1.094 197 A CA -0.603 51.514 52.037 0.133 0.000 0.729 197 A CB 1.296 20.176 19.000 -0.201 0.000 1.194 197 A HN 0.010 nan 8.150 nan 0.000 0.442 198 T N 2.239 116.917 114.554 0.207 0.000 2.756 198 T HA 0.486 4.836 4.350 -0.000 0.000 0.290 198 T C -0.367 174.430 174.700 0.161 0.000 0.985 198 T CA -0.284 61.890 62.100 0.122 0.000 0.955 198 T CB 1.015 69.951 68.868 0.113 0.000 0.930 198 T HN 0.421 nan 8.240 nan 0.000 0.451 199 V N 5.401 125.343 119.914 0.047 0.000 2.347 199 V HA 0.355 4.475 4.120 -0.000 0.000 0.280 199 V C 0.047 176.150 176.094 0.014 0.000 1.021 199 V CA -0.800 61.533 62.300 0.055 0.000 0.847 199 V CB 1.148 32.944 31.823 -0.044 0.000 0.990 199 V HN 0.779 nan 8.190 nan 0.000 0.444 200 L N 4.671 125.916 121.223 0.036 0.000 2.278 200 L HA 0.633 4.973 4.340 -0.000 0.000 0.287 200 L C 0.590 177.455 176.870 -0.008 0.000 1.072 200 L CA -0.034 54.803 54.840 -0.005 0.000 0.819 200 L CB 1.240 43.297 42.059 -0.004 0.000 1.176 200 L HN 0.768 nan 8.230 nan 0.000 0.435 201 A N 1.463 124.265 122.820 -0.030 0.000 3.308 201 A HA 0.298 4.618 4.320 -0.000 0.000 0.275 201 A C 0.588 178.152 177.584 -0.033 0.000 0.950 201 A CA -0.260 51.764 52.037 -0.022 0.000 0.987 201 A CB -0.040 18.949 19.000 -0.019 0.000 1.146 201 A HN 0.690 nan 8.150 nan 0.000 0.488 202 T N -2.494 112.036 114.554 -0.039 0.000 3.186 202 T HA 0.481 4.831 4.350 -0.000 0.000 0.257 202 T C 1.164 175.842 174.700 -0.036 0.000 1.029 202 T CA 0.802 62.874 62.100 -0.046 0.000 0.916 202 T CB -0.340 68.491 68.868 -0.062 0.000 1.041 202 T HN 2.001 nan 8.240 nan 0.000 0.562 203 G N 0.784 109.565 108.800 -0.033 0.000 2.598 203 G HA2 0.076 4.036 3.960 -0.000 0.000 0.269 203 G HA3 0.076 4.036 3.960 -0.000 0.000 0.269 203 G C 0.367 175.215 174.900 -0.087 0.000 1.289 203 G CA -0.392 44.683 45.100 -0.041 0.000 0.926 203 G HN 1.004 nan 8.290 nan 0.000 0.567 204 G N -2.050 106.687 108.800 -0.106 0.000 2.509 204 G HA2 0.708 4.668 3.960 -0.000 0.000 0.269 204 G HA3 0.708 4.668 3.960 -0.000 0.000 0.269 204 G C 0.500 175.384 174.900 -0.027 0.000 1.416 204 G CA 0.811 45.827 45.100 -0.141 0.000 1.052 204 G HN 2.138 nan 8.290 nan 0.000 0.542 205 A N -1.357 121.524 122.820 0.103 0.000 2.709 205 A HA 0.541 4.861 4.320 -0.000 0.000 0.241 205 A C 1.521 179.234 177.584 0.216 0.000 0.879 205 A CA 0.868 53.023 52.037 0.196 0.000 1.120 205 A CB 0.035 19.215 19.000 0.300 0.000 1.226 205 A HN 1.253 nan 8.150 nan 0.000 0.468 206 G N 0.376 109.250 108.800 0.124 0.000 2.499 206 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.221 206 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.221 206 G C 1.280 176.182 174.900 0.002 0.000 1.109 206 G CA 0.560 45.687 45.100 0.045 0.000 0.749 206 G HN 0.381 nan 8.290 nan 0.000 0.568 207 R N 0.503 120.992 120.500 -0.019 0.000 2.323 207 R HA 0.075 4.415 4.340 -0.000 0.000 0.198 207 R C 2.285 178.559 176.300 -0.043 0.000 0.988 207 R CA 0.270 56.355 56.100 -0.026 0.000 1.041 207 R CB -0.570 29.717 30.300 -0.022 0.000 0.926 207 R HN 0.768 nan 8.270 nan 0.000 0.476 208 I N -3.502 117.010 120.570 -0.097 0.000 3.111 208 I HA -0.012 4.158 4.170 -0.000 0.000 0.272 208 I C 0.200 176.087 176.117 -0.384 0.000 1.268 208 I CA 0.471 61.624 61.300 -0.245 0.000 1.467 208 I CB -0.188 37.598 38.000 -0.357 0.000 1.087 208 I HN -0.209 nan 8.210 nan 0.000 0.467 209 Y N 0.815 121.001 120.300 -0.190 0.000 2.458 209 Y HA 0.310 4.860 4.550 -0.000 0.000 0.322 209 Y C 1.576 177.451 175.900 -0.043 0.000 1.259 209 Y CA -0.405 57.634 58.100 -0.101 0.000 1.302 209 Y CB 0.827 39.229 38.460 -0.097 0.000 1.314 209 Y HN -0.161 nan 8.280 nan 0.000 0.509 210 Q N 0.098 120.004 119.800 0.177 0.000 2.123 210 Q HA 0.004 4.344 4.340 -0.000 0.000 0.196 210 Q C 0.028 176.093 176.000 0.108 0.000 0.958 210 Q CA 0.644 56.515 55.803 0.113 0.000 0.841 210 Q CB 0.351 29.162 28.738 0.122 0.000 0.915 210 Q HN 0.484 nan 8.270 nan 0.000 0.455 211 S N -0.246 115.540 115.700 0.143 0.000 2.498 211 S HA 0.497 4.967 4.470 -0.000 0.000 0.317 211 S C -1.030 173.612 174.600 0.070 0.000 1.090 211 S CA -0.452 57.806 58.200 0.095 0.000 1.089 211 S CB 1.626 64.893 63.200 0.112 0.000 0.997 211 S HN 0.194 nan 8.310 nan 0.000 0.470 212 T N 1.677 116.237 114.554 0.010 0.000 2.932 212 T HA 0.411 4.761 4.350 -0.000 0.000 0.318 212 T C 1.087 175.766 174.700 -0.035 0.000 1.265 212 T CA 0.028 62.111 62.100 -0.027 0.000 1.036 212 T CB 1.306 70.146 68.868 -0.046 0.000 1.209 212 T HN 0.710 nan 8.240 nan 0.000 0.484 213 T N 0.938 115.498 114.554 0.010 0.000 3.072 213 T HA 0.139 4.489 4.350 -0.000 0.000 0.266 213 T C 0.687 175.408 174.700 0.035 0.000 1.127 213 T CA 0.281 62.409 62.100 0.047 0.000 1.107 213 T CB -0.596 68.391 68.868 0.198 0.000 0.910 213 T HN 0.604 nan 8.240 nan 0.000 0.513 214 N N 1.619 120.266 118.700 -0.087 0.000 2.525 214 N HA 0.470 5.210 4.740 -0.000 0.000 0.271 214 N C 0.151 175.468 175.510 -0.322 0.000 1.194 214 N CA -0.458 52.383 53.050 -0.348 0.000 0.964 214 N CB 0.743 39.020 38.487 -0.351 0.000 1.126 214 N HN 0.418 nan 8.380 nan 0.000 0.452 215 A N 1.396 123.956 122.820 -0.434 0.000 2.492 215 A HA -0.059 4.261 4.320 -0.000 0.000 0.236 215 A C 1.036 178.527 177.584 -0.156 0.000 1.078 215 A CA -0.015 51.930 52.037 -0.153 0.000 0.773 215 A CB 0.060 19.090 19.000 0.049 0.000 1.023 215 A HN 0.794 nan 8.150 nan 0.000 0.504 216 H N 1.013 120.070 119.070 -0.022 0.000 2.518 216 H HA -0.145 4.411 4.556 -0.000 0.000 0.292 216 H C 1.606 176.925 175.328 -0.015 0.000 1.068 216 H CA 2.094 58.134 56.048 -0.014 0.000 1.275 216 H CB -0.124 29.643 29.762 0.008 0.000 1.375 216 H HN 0.743 nan 8.280 nan 0.000 0.563 217 I N -1.721 118.903 120.570 0.090 0.000 3.793 217 I HA 0.058 4.228 4.170 -0.000 0.000 0.315 217 I C -0.166 175.965 176.117 0.023 0.000 1.275 217 I CA 0.079 61.421 61.300 0.070 0.000 1.214 217 I CB -0.038 38.013 38.000 0.085 0.000 1.018 217 I HN -0.190 nan 8.210 nan 0.000 0.439 218 N N 2.699 121.375 118.700 -0.041 0.000 2.895 218 N HA 0.095 4.835 4.740 -0.000 0.000 0.277 218 N C 0.557 176.059 175.510 -0.013 0.000 1.185 218 N CA 0.337 53.349 53.050 -0.063 0.000 1.106 218 N CB 0.309 38.691 38.487 -0.176 0.000 1.422 218 N HN 0.396 nan 8.380 nan 0.000 0.521 219 T N -2.835 111.732 114.554 0.021 0.000 3.248 219 T HA 0.278 4.628 4.350 -0.000 0.000 0.271 219 T C 1.102 175.830 174.700 0.046 0.000 1.005 219 T CA -0.354 61.768 62.100 0.037 0.000 0.902 219 T CB -0.198 68.703 68.868 0.055 0.000 1.102 219 T HN 0.361 nan 8.240 nan 0.000 0.548 220 G N 1.991 110.817 108.800 0.043 0.000 2.356 220 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.296 220 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.296 220 G C 0.506 175.424 174.900 0.030 0.000 1.022 220 G CA 0.362 45.489 45.100 0.044 0.000 0.961 220 G HN 0.499 nan 8.290 nan 0.000 0.510 221 D N 0.027 120.437 120.400 0.015 0.000 2.144 221 D HA -0.072 4.568 4.640 -0.000 0.000 0.199 221 D C 2.478 178.764 176.300 -0.024 0.000 0.984 221 D CA 1.719 55.717 54.000 -0.003 0.000 0.834 221 D CB -0.604 40.163 40.800 -0.055 0.000 0.955 221 D HN 0.538 nan 8.370 nan 0.000 0.465 222 G N 0.308 109.089 108.800 -0.031 0.000 2.421 222 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.217 222 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.217 222 G C 1.825 176.719 174.900 -0.010 0.000 1.143 222 G CA 0.560 45.641 45.100 -0.031 0.000 0.784 222 G HN 0.228 nan 8.290 nan 0.000 0.541 223 V N 1.590 121.505 119.914 0.002 0.000 2.307 223 V HA -0.043 4.077 4.120 -0.000 0.000 0.245 223 V C 3.139 179.256 176.094 0.039 0.000 1.045 223 V CA 1.956 64.268 62.300 0.021 0.000 1.024 223 V CB -1.171 30.671 31.823 0.032 0.000 0.651 223 V HN 0.394 nan 8.190 nan 0.000 0.449 224 G N -0.286 108.538 108.800 0.040 0.000 2.545 224 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.217 224 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.217 224 G C 1.642 176.567 174.900 0.042 0.000 1.218 224 G CA 1.431 46.561 45.100 0.050 0.000 0.787 224 G HN 0.405 nan 8.290 nan 0.000 0.571 225 M N 0.788 120.403 119.600 0.025 0.000 2.106 225 M HA -0.136 4.344 4.480 -0.000 0.000 0.259 225 M C 3.020 179.329 176.300 0.015 0.000 1.068 225 M CA 1.688 56.997 55.300 0.015 0.000 1.100 225 M CB -0.317 32.278 32.600 -0.009 0.000 1.351 225 M HN 0.354 nan 8.290 nan 0.000 0.404 226 A N 0.254 123.083 122.820 0.014 0.000 1.873 226 A HA -0.098 4.221 4.320 -0.000 0.000 0.215 226 A C 2.057 179.655 177.584 0.023 0.000 1.186 226 A CA 1.310 53.354 52.037 0.011 0.000 0.616 226 A CB -0.782 18.221 19.000 0.005 0.000 0.823 226 A HN 0.429 nan 8.150 nan 0.000 0.442 227 I N -0.698 119.902 120.570 0.051 0.000 2.163 227 I HA -0.278 3.892 4.170 -0.000 0.000 0.243 227 I C 2.703 178.846 176.117 0.043 0.000 1.085 227 I CA 1.393 62.740 61.300 0.078 0.000 1.347 227 I CB -0.230 37.859 38.000 0.150 0.000 1.044 227 I HN 0.271 nan 8.210 nan 0.000 0.408 228 R N 0.343 120.864 120.500 0.036 0.000 2.189 228 R HA -0.057 4.283 4.340 -0.000 0.000 0.223 228 R C 1.937 178.241 176.300 0.006 0.000 1.092 228 R CA 1.138 57.251 56.100 0.021 0.000 0.989 228 R CB -0.241 30.075 30.300 0.027 0.000 0.876 228 R HN 0.340 nan 8.270 nan 0.000 0.457 229 A N -0.052 122.770 122.820 0.004 0.000 2.275 229 A HA 0.249 4.569 4.320 -0.000 0.000 0.212 229 A C 1.235 178.809 177.584 -0.017 0.000 1.201 229 A CA 0.582 52.615 52.037 -0.006 0.000 0.843 229 A CB 0.108 19.106 19.000 -0.004 0.000 0.873 229 A HN 0.387 nan 8.150 nan 0.000 0.492 230 G N -1.118 107.671 108.800 -0.019 0.000 2.147 230 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.244 230 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.244 230 G C 0.051 174.925 174.900 -0.043 0.000 1.005 230 G CA 0.199 45.276 45.100 -0.037 0.000 0.713 230 G HN 0.746 nan 8.290 nan 0.000 0.515 231 V N 2.656 122.554 119.914 -0.028 0.000 2.432 231 V HA 0.464 4.584 4.120 -0.000 0.000 0.275 231 V C -1.123 174.958 176.094 -0.021 0.000 1.043 231 V CA -1.447 60.834 62.300 -0.032 0.000 0.925 231 V CB 1.616 33.422 31.823 -0.028 0.000 0.985 231 V HN 0.247 nan 8.190 nan 0.000 0.466 232 P HA 0.214 nan 4.420 nan 0.000 0.272 232 P C -0.598 176.715 177.300 0.022 0.000 1.223 232 P CA 0.089 63.178 63.100 -0.019 0.000 0.784 232 P CB 1.198 32.871 31.700 -0.045 0.000 0.923 233 V N -0.524 119.444 119.914 0.091 0.000 2.994 233 V HA 0.678 4.798 4.120 -0.000 0.000 0.318 233 V C -0.372 175.758 176.094 0.060 0.000 1.085 233 V CA -0.914 61.426 62.300 0.066 0.000 0.998 233 V CB 1.384 33.256 31.823 0.082 0.000 1.063 233 V HN 0.645 nan 8.190 nan 0.000 0.447 234 Q N 0.203 120.008 119.800 0.010 0.000 2.331 234 Q HA 0.409 4.749 4.340 -0.000 0.000 0.272 234 Q C -1.088 174.914 176.000 0.003 0.000 1.062 234 Q CA -0.347 55.462 55.803 0.009 0.000 0.806 234 Q CB 1.813 30.518 28.738 -0.055 0.000 1.312 234 Q HN 0.941 nan 8.270 nan 0.000 0.431 235 D N 3.166 123.600 120.400 0.057 0.000 2.870 235 D HA -0.177 4.462 4.640 -0.000 0.000 0.228 235 D C 0.639 176.925 176.300 -0.024 0.000 1.147 235 D CA 0.828 54.859 54.000 0.052 0.000 0.757 235 D CB -0.332 40.518 40.800 0.084 0.000 1.091 235 D HN 0.673 nan 8.370 nan 0.000 0.429 236 M N -0.166 119.422 119.600 -0.019 0.000 2.446 236 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 236 M C 2.119 178.457 176.300 0.063 0.000 1.066 236 M CA 1.283 56.566 55.300 -0.028 0.000 1.087 236 M CB -0.455 32.142 32.600 -0.004 0.000 1.406 236 M HN 0.328 nan 8.290 nan 0.000 0.459 237 E N -0.397 119.825 120.200 0.037 0.000 2.358 237 E HA -0.084 4.265 4.350 -0.000 0.000 0.195 237 E C 0.296 177.011 176.600 0.191 0.000 1.010 237 E CA 0.420 56.878 56.400 0.098 0.000 0.856 237 E CB -0.195 29.395 29.700 -0.184 0.000 0.795 237 E HN 0.296 nan 8.360 nan 0.000 0.504 238 M N 1.225 120.848 119.600 0.040 0.000 2.341 238 M HA 0.159 4.639 4.480 -0.000 0.000 0.336 238 M C -1.257 174.987 176.300 -0.093 0.000 1.489 238 M CA 0.357 55.688 55.300 0.051 0.000 1.278 238 M CB -1.041 31.574 32.600 0.025 0.000 1.657 238 M HN 0.084 nan 8.290 nan 0.000 0.455 239 W N 2.334 123.716 121.300 0.136 0.000 2.499 239 W HA 0.389 5.049 4.660 0.000 0.000 0.320 239 W C 0.196 176.730 176.519 0.025 0.000 1.010 239 W CA -0.605 56.766 57.345 0.043 0.000 1.267 239 W CB 1.134 30.619 29.460 0.042 0.000 1.316 239 W HN 0.517 nan 8.180 nan 0.000 0.431 240 Q N 3.168 123.067 119.800 0.165 0.000 2.281 240 Q HA 0.232 4.572 4.340 -0.000 0.000 0.267 240 Q C -1.139 174.871 176.000 0.017 0.000 1.053 240 Q CA 0.217 56.116 55.803 0.161 0.000 0.905 240 Q CB 0.360 29.214 28.738 0.194 0.000 1.195 240 Q HN 0.396 nan 8.270 nan 0.000 0.398 241 F N 4.064 124.072 119.950 0.096 0.000 2.335 241 F HA 0.161 4.688 4.527 -0.000 0.000 0.365 241 F C 0.520 176.339 175.800 0.032 0.000 1.122 241 F CA -0.747 57.283 58.000 0.051 0.000 1.151 241 F CB 0.616 39.597 39.000 -0.031 0.000 1.282 241 F HN 0.586 nan 8.300 nan 0.000 0.513 242 H N 5.949 125.042 119.070 0.039 0.000 3.004 242 H HA 0.046 4.602 4.556 -0.000 0.000 0.316 242 H C -1.749 173.546 175.328 -0.056 0.000 1.014 242 H CA -1.483 54.492 56.048 -0.122 0.000 1.454 242 H CB 1.442 30.940 29.762 -0.440 0.000 1.472 242 H HN 0.350 nan 8.280 nan 0.000 0.571 243 P HA -0.136 nan 4.420 nan 0.000 0.215 243 P C 0.347 177.718 177.300 0.117 0.000 1.163 243 P CA 2.102 65.188 63.100 -0.023 0.000 0.894 243 P CB 0.070 31.671 31.700 -0.165 0.000 0.791 244 T N -2.769 111.950 114.554 0.276 0.000 3.336 244 T HA 0.616 4.966 4.350 -0.000 0.000 0.384 244 T C 0.404 175.133 174.700 0.049 0.000 1.704 244 T CA -0.866 61.323 62.100 0.147 0.000 1.334 244 T CB 0.064 68.982 68.868 0.084 0.000 1.131 244 T HN 0.014 nan 8.240 nan 0.000 0.684 245 G N 2.119 110.941 108.800 0.037 0.000 2.367 245 G HA2 0.600 4.560 3.960 -0.000 0.000 0.314 245 G HA3 0.600 4.560 3.960 -0.000 0.000 0.314 245 G C -0.070 174.821 174.900 -0.016 0.000 1.130 245 G CA -1.107 43.977 45.100 -0.027 0.000 0.864 245 G HN 0.777 nan 8.290 nan 0.000 0.486 246 I N 1.595 122.142 120.570 -0.039 0.000 2.618 246 I HA 0.130 4.300 4.170 -0.000 0.000 0.284 246 I C 1.275 177.391 176.117 -0.001 0.000 1.146 246 I CA -0.027 61.250 61.300 -0.038 0.000 1.425 246 I CB 0.973 38.966 38.000 -0.013 0.000 1.383 246 I HN 0.512 nan 8.210 nan 0.000 0.562 247 A N 5.345 128.148 122.820 -0.028 0.000 2.491 247 A HA 0.432 4.752 4.320 -0.000 0.000 0.261 247 A C 1.250 178.932 177.584 0.162 0.000 1.101 247 A CA 0.458 52.529 52.037 0.057 0.000 0.772 247 A CB -0.371 18.633 19.000 0.008 0.000 1.043 247 A HN 1.233 nan 8.150 nan 0.000 0.501 248 G N 0.751 109.644 108.800 0.155 0.000 2.179 248 G HA2 0.030 3.990 3.960 -0.000 0.000 0.260 248 G HA3 0.030 3.990 3.960 -0.000 0.000 0.260 248 G C 0.754 175.736 174.900 0.137 0.000 0.977 248 G CA 1.043 46.240 45.100 0.162 0.000 0.641 248 G HN 2.005 nan 8.290 nan 0.000 0.533 249 A N -1.763 121.116 122.820 0.100 0.000 1.933 249 A HA 0.672 4.992 4.320 -0.000 0.000 0.198 249 A C 2.623 180.178 177.584 -0.049 0.000 1.617 249 A CA 1.901 53.963 52.037 0.042 0.000 1.039 249 A CB -0.223 18.811 19.000 0.056 0.000 1.066 249 A HN 2.268 nan 8.150 nan 0.000 0.484 250 G N -0.976 107.803 108.800 -0.034 0.000 2.225 250 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.254 250 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.254 250 G C 0.309 175.149 174.900 -0.101 0.000 0.988 250 G CA 0.201 45.272 45.100 -0.048 0.000 0.625 250 G HN 1.040 nan 8.290 nan 0.000 0.527 251 V N 2.309 122.111 119.914 -0.186 0.000 2.485 251 V HA 0.398 4.518 4.120 -0.000 0.000 0.287 251 V C 1.117 177.136 176.094 -0.125 0.000 1.022 251 V CA 0.161 62.329 62.300 -0.220 0.000 1.067 251 V CB 1.182 32.731 31.823 -0.457 0.000 0.967 251 V HN 0.597 nan 8.190 nan 0.000 0.479 252 L N 8.318 129.477 121.223 -0.107 0.000 2.455 252 L HA 0.343 4.683 4.340 -0.000 0.000 0.272 252 L C 0.110 176.904 176.870 -0.128 0.000 1.174 252 L CA 0.441 55.184 54.840 -0.161 0.000 0.869 252 L CB 0.939 42.886 42.059 -0.187 0.000 1.130 252 L HN 0.590 nan 8.230 nan 0.000 0.474 253 V N 1.964 121.794 119.914 -0.139 0.000 2.612 253 V HA 0.524 4.644 4.120 -0.000 0.000 0.301 253 V C 0.386 176.416 176.094 -0.107 0.000 1.046 253 V CA -0.415 61.832 62.300 -0.088 0.000 0.946 253 V CB 1.188 32.980 31.823 -0.053 0.000 1.003 253 V HN 0.903 nan 8.190 nan 0.000 0.459 254 T N 1.190 115.722 114.554 -0.037 0.000 2.898 254 T HA 0.131 4.481 4.350 -0.000 0.000 0.301 254 T C 0.962 175.666 174.700 0.008 0.000 1.049 254 T CA 0.713 62.826 62.100 0.021 0.000 1.095 254 T CB 0.910 69.843 68.868 0.109 0.000 0.976 254 T HN 1.082 nan 8.240 nan 0.000 0.539 255 E N 1.919 122.097 120.200 -0.037 0.000 2.268 255 E HA -0.017 4.332 4.350 -0.000 0.000 0.195 255 E C 2.012 178.310 176.600 -0.503 0.000 0.995 255 E CA 0.983 57.143 56.400 -0.399 0.000 0.836 255 E CB -0.666 28.534 29.700 -0.833 0.000 0.763 255 E HN 0.904 nan 8.360 nan 0.000 0.491 256 G N -0.014 108.666 108.800 -0.200 0.000 2.535 256 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 256 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 256 G C 1.442 176.357 174.900 0.025 0.000 1.122 256 G CA 0.722 45.876 45.100 0.090 0.000 0.769 256 G HN 0.357 nan 8.290 nan 0.000 0.549 257 C N 0.031 119.311 119.300 -0.034 0.000 2.462 257 C HA 0.034 4.494 4.460 -0.000 0.000 0.278 257 C C 2.956 177.914 174.990 -0.054 0.000 1.253 257 C CA 0.772 59.765 59.018 -0.042 0.000 1.713 257 C CB -0.704 27.005 27.740 -0.052 0.000 2.049 257 C HN 0.456 nan 8.230 nan 0.000 0.477 258 R N 0.863 121.310 120.500 -0.088 0.000 2.115 258 R HA 0.019 4.359 4.340 -0.000 0.000 0.230 258 R C 2.369 178.640 176.300 -0.047 0.000 1.111 258 R CA 1.409 57.468 56.100 -0.069 0.000 0.976 258 R CB -0.778 29.453 30.300 -0.114 0.000 0.870 258 R HN 0.609 nan 8.270 nan 0.000 0.445 259 G N 0.737 109.490 108.800 -0.080 0.000 2.432 259 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.219 259 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.219 259 G C 1.079 176.019 174.900 0.067 0.000 1.135 259 G CA 0.408 45.511 45.100 0.005 0.000 0.767 259 G HN 0.195 nan 8.290 nan 0.000 0.550 260 E N 0.120 120.357 120.200 0.061 0.000 2.502 260 E HA 0.166 4.516 4.350 -0.000 0.000 0.194 260 E C 1.768 178.393 176.600 0.041 0.000 1.062 260 E CA 0.634 57.075 56.400 0.069 0.000 0.867 260 E CB 0.298 30.030 29.700 0.055 0.000 0.888 260 E HN 0.486 nan 8.360 nan 0.000 0.510 261 G N 0.494 109.328 108.800 0.056 0.000 2.227 261 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.168 261 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.168 261 G C 0.652 175.678 174.900 0.210 0.000 1.006 261 G CA -0.270 44.908 45.100 0.130 0.000 0.684 261 G HN 0.454 nan 8.290 nan 0.000 0.489 262 G N 0.047 108.884 108.800 0.061 0.000 2.569 262 G HA2 0.677 4.637 3.960 -0.000 0.000 0.249 262 G HA3 0.677 4.637 3.960 -0.000 0.000 0.249 262 G C -0.283 174.654 174.900 0.062 0.000 1.216 262 G CA 0.318 45.423 45.100 0.007 0.000 0.845 262 G HN 1.389 nan 8.290 nan 0.000 0.568 263 Y N -1.451 118.875 120.300 0.043 0.000 2.597 263 Y HA 0.666 5.216 4.550 -0.000 0.000 0.340 263 Y C -0.844 175.000 175.900 -0.093 0.000 1.097 263 Y CA -1.812 56.253 58.100 -0.059 0.000 1.037 263 Y CB 1.138 39.550 38.460 -0.080 0.000 1.305 263 Y HN 0.412 nan 8.280 nan 0.000 0.463 264 L N 3.421 124.650 121.223 0.009 0.000 2.305 264 L HA 0.531 4.870 4.340 -0.000 0.000 0.281 264 L C -0.609 176.216 176.870 -0.075 0.000 1.085 264 L CA -0.438 54.336 54.840 -0.110 0.000 0.813 264 L CB 0.937 42.798 42.059 -0.330 0.000 1.157 264 L HN 0.571 nan 8.230 nan 0.000 0.436 265 L N 3.131 124.442 121.223 0.146 0.000 2.342 265 L HA 0.507 4.847 4.340 -0.000 0.000 0.271 265 L C -0.202 176.919 176.870 0.419 0.000 1.008 265 L CA -0.934 54.064 54.840 0.264 0.000 0.818 265 L CB 1.860 44.036 42.059 0.194 0.000 1.296 265 L HN 0.656 nan 8.230 nan 0.000 0.427 266 N N 1.439 120.404 118.700 0.442 0.000 2.495 266 N HA 0.159 4.899 4.740 -0.000 0.000 0.294 266 N C 0.510 176.047 175.510 0.046 0.000 1.276 266 N CA -0.763 52.397 53.050 0.184 0.000 0.973 266 N CB 0.379 38.906 38.487 0.067 0.000 1.143 266 N HN 0.607 nan 8.380 nan 0.000 0.589 267 K N -0.988 119.343 120.400 -0.116 0.000 2.209 267 K HA -0.151 4.169 4.320 -0.000 0.000 0.204 267 K C 0.577 177.061 176.600 -0.193 0.000 1.048 267 K CA 1.477 57.643 56.287 -0.203 0.000 0.940 267 K CB -0.558 31.749 32.500 -0.322 0.000 0.729 267 K HN 0.609 nan 8.250 nan 0.000 0.451 268 H N -0.397 118.704 119.070 0.051 0.000 2.539 268 H HA 0.204 4.760 4.556 -0.000 0.000 0.267 268 H C 0.885 176.252 175.328 0.066 0.000 0.982 268 H CA 0.245 56.324 56.048 0.051 0.000 1.146 268 H CB 0.870 30.657 29.762 0.042 0.000 1.382 268 H HN 0.572 nan 8.280 nan 0.000 0.577 269 G N 0.916 109.814 108.800 0.164 0.000 2.143 269 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.249 269 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.249 269 G C 0.120 175.111 174.900 0.153 0.000 0.981 269 G CA 0.177 45.365 45.100 0.146 0.000 0.665 269 G HN 0.512 nan 8.290 nan 0.000 0.528 270 E N 0.403 120.717 120.200 0.190 0.000 2.316 270 E HA 0.263 4.613 4.350 -0.000 0.000 0.275 270 E C 0.696 177.411 176.600 0.191 0.000 1.029 270 E CA -0.730 55.772 56.400 0.170 0.000 0.871 270 E CB 0.297 30.113 29.700 0.193 0.000 1.022 270 E HN 0.325 nan 8.360 nan 0.000 0.418 271 R N 5.471 126.009 120.500 0.065 0.000 3.688 271 R HA 0.005 4.345 4.340 -0.000 0.000 0.194 271 R C 0.867 177.143 176.300 -0.040 0.000 1.677 271 R CA -0.125 55.949 56.100 -0.044 0.000 1.351 271 R CB -0.664 29.513 30.300 -0.206 0.000 1.338 271 R HN 0.529 nan 8.270 nan 0.000 0.731 272 F N 0.728 120.746 119.950 0.114 0.000 2.287 272 F HA -0.220 4.307 4.527 -0.000 0.000 0.301 272 F C 1.359 177.319 175.800 0.267 0.000 1.069 272 F CA 0.559 58.673 58.000 0.189 0.000 1.372 272 F CB -0.297 38.859 39.000 0.261 0.000 1.056 272 F HN 0.258 nan 8.300 nan 0.000 0.523 273 M N 1.176 120.651 119.600 -0.209 0.000 2.279 273 M HA -0.130 4.349 4.480 -0.000 0.000 0.264 273 M C 1.949 178.282 176.300 0.054 0.000 1.062 273 M CA 1.150 56.425 55.300 -0.040 0.000 1.099 273 M CB -1.224 31.240 32.600 -0.226 0.000 1.394 273 M HN 0.412 nan 8.290 nan 0.000 0.426 274 E N -0.856 119.345 120.200 0.002 0.000 2.204 274 E HA -0.188 4.162 4.350 -0.000 0.000 0.194 274 E C 2.162 178.778 176.600 0.026 0.000 0.989 274 E CA 0.751 57.150 56.400 -0.002 0.000 0.824 274 E CB -0.089 29.586 29.700 -0.042 0.000 0.756 274 E HN 0.462 nan 8.360 nan 0.000 0.477 275 R N -0.155 120.374 120.500 0.048 0.000 2.066 275 R HA -0.076 4.264 4.340 -0.000 0.000 0.224 275 R C 1.805 178.075 176.300 -0.051 0.000 1.122 275 R CA 0.923 57.004 56.100 -0.032 0.000 0.974 275 R CB -0.008 30.231 30.300 -0.102 0.000 0.871 275 R HN 0.164 nan 8.270 nan 0.000 0.435 276 Y N -0.375 119.989 120.300 0.106 0.000 2.263 276 Y HA 0.083 4.633 4.550 -0.000 0.000 0.292 276 Y C 0.704 176.664 175.900 0.100 0.000 1.130 276 Y CA 1.014 59.185 58.100 0.118 0.000 1.179 276 Y CB 0.311 38.870 38.460 0.165 0.000 0.998 276 Y HN 0.099 nan 8.280 nan 0.000 0.532 277 A N -0.550 122.404 122.820 0.223 0.000 2.702 277 A HA 0.430 4.750 4.320 -0.000 0.000 0.305 277 A C -2.247 175.399 177.584 0.103 0.000 1.213 277 A CA -1.238 50.901 52.037 0.170 0.000 0.745 277 A CB 0.500 19.606 19.000 0.177 0.000 1.161 277 A HN -0.027 nan 8.150 nan 0.000 0.445 278 P HA -0.110 nan 4.420 nan 0.000 0.218 278 P C 1.098 178.418 177.300 0.034 0.000 1.149 278 P CA 1.154 64.277 63.100 0.039 0.000 0.817 278 P CB 0.385 32.100 31.700 0.026 0.000 0.785 279 N N -0.293 118.440 118.700 0.056 0.000 2.178 279 N HA -0.023 4.716 4.740 -0.000 0.000 0.189 279 N C 1.763 177.304 175.510 0.052 0.000 1.048 279 N CA 1.546 54.626 53.050 0.050 0.000 0.855 279 N CB -1.093 37.432 38.487 0.063 0.000 1.028 279 N HN -0.004 nan 8.380 nan 0.000 0.441 280 A N 0.728 123.605 122.820 0.095 0.000 2.067 280 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 280 A C 0.936 178.526 177.584 0.011 0.000 1.156 280 A CA 0.772 52.850 52.037 0.069 0.000 0.683 280 A CB -0.118 18.957 19.000 0.126 0.000 0.808 280 A HN 0.360 nan 8.150 nan 0.000 0.455 281 K N -1.921 118.490 120.400 0.017 0.000 1.979 281 K HA -0.282 4.038 4.320 -0.000 0.000 0.143 281 K C 0.462 177.029 176.600 -0.056 0.000 1.185 281 K CA 1.884 58.160 56.287 -0.018 0.000 0.336 281 K CB -1.474 31.002 32.500 -0.040 0.000 0.680 281 K HN 0.391 nan 8.250 nan 0.000 0.783 282 D N 1.015 121.368 120.400 -0.079 0.000 2.347 282 D HA 0.044 4.684 4.640 -0.000 0.000 0.215 282 D C 1.038 177.258 176.300 -0.134 0.000 0.976 282 D CA 0.758 54.692 54.000 -0.110 0.000 0.884 282 D CB 0.037 40.791 40.800 -0.077 0.000 0.915 282 D HN 0.196 nan 8.370 nan 0.000 0.526 283 L N 0.511 121.664 121.223 -0.117 0.000 2.783 283 L HA 0.371 4.711 4.340 -0.000 0.000 0.236 283 L C 0.872 177.617 176.870 -0.207 0.000 1.225 283 L CA -0.676 54.075 54.840 -0.149 0.000 1.026 283 L CB -0.202 41.804 42.059 -0.088 0.000 1.314 283 L HN -0.007 nan 8.230 nan 0.000 0.489 284 A N 0.028 122.691 122.820 -0.262 0.000 2.325 284 A HA 0.504 4.824 4.320 -0.000 0.000 0.260 284 A C 0.973 178.135 177.584 -0.703 0.000 1.133 284 A CA 0.241 51.958 52.037 -0.534 0.000 0.801 284 A CB -0.131 18.673 19.000 -0.327 0.000 1.092 284 A HN 0.301 nan 8.150 nan 0.000 0.504 285 G N -1.272 106.774 108.800 -1.257 0.000 2.562 285 G HA2 0.245 4.205 3.960 -0.000 0.000 0.233 285 G HA3 0.245 4.205 3.960 -0.000 0.000 0.233 285 G C 0.737 175.445 174.900 -0.321 0.000 1.266 285 G CA -0.124 44.587 45.100 -0.648 0.000 0.852 285 G HN 0.768 nan 8.290 nan 0.000 0.581 286 R N 0.167 120.541 120.500 -0.210 0.000 2.073 286 R HA -0.085 4.254 4.340 -0.000 0.000 0.229 286 R C 2.380 178.614 176.300 -0.110 0.000 1.120 286 R CA 1.491 57.477 56.100 -0.190 0.000 0.967 286 R CB -0.096 30.088 30.300 -0.194 0.000 0.862 286 R HN 0.827 nan 8.270 nan 0.000 0.436 287 D N 0.281 120.653 120.400 -0.047 0.000 2.182 287 D HA -0.125 4.515 4.640 -0.000 0.000 0.201 287 D C 1.727 178.001 176.300 -0.043 0.000 0.986 287 D CA 1.069 55.059 54.000 -0.016 0.000 0.847 287 D CB -0.261 40.558 40.800 0.031 0.000 0.942 287 D HN 0.083 nan 8.370 nan 0.000 0.467 288 V N 0.895 120.792 119.914 -0.028 0.000 2.302 288 V HA -0.176 3.944 4.120 -0.000 0.000 0.243 288 V C 2.997 179.061 176.094 -0.050 0.000 1.036 288 V CA 1.044 63.346 62.300 0.003 0.000 1.020 288 V CB -0.343 31.530 31.823 0.082 0.000 0.657 288 V HN 0.081 nan 8.190 nan 0.000 0.453 289 V N 0.662 120.520 119.914 -0.094 0.000 2.332 289 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 289 V C 2.738 178.788 176.094 -0.075 0.000 1.055 289 V CA 2.077 64.320 62.300 -0.094 0.000 1.038 289 V CB -1.337 30.399 31.823 -0.144 0.000 0.651 289 V HN 0.547 nan 8.190 nan 0.000 0.450 290 A N 0.209 122.976 122.820 -0.088 0.000 1.849 290 A HA -0.299 4.021 4.320 -0.000 0.000 0.217 290 A C 2.380 179.888 177.584 -0.126 0.000 1.202 290 A CA 2.377 54.366 52.037 -0.081 0.000 0.629 290 A CB -0.684 18.279 19.000 -0.062 0.000 0.834 290 A HN 0.489 nan 8.150 nan 0.000 0.447 291 R N -0.471 119.920 120.500 -0.183 0.000 2.117 291 R HA -0.113 4.227 4.340 -0.000 0.000 0.243 291 R C 2.590 178.841 176.300 -0.081 0.000 1.143 291 R CA 1.562 57.547 56.100 -0.191 0.000 0.968 291 R CB -0.460 29.736 30.300 -0.174 0.000 0.863 291 R HN 0.557 nan 8.270 nan 0.000 0.444 292 S N 0.925 116.497 115.700 -0.213 0.000 2.370 292 S HA -0.121 4.349 4.470 -0.000 0.000 0.226 292 S C 1.947 176.321 174.600 -0.378 0.000 1.033 292 S CA 1.193 59.047 58.200 -0.578 0.000 1.011 292 S CB -0.168 62.681 63.200 -0.585 0.000 0.852 292 S HN 0.246 nan 8.310 nan 0.000 0.457 293 I N 0.995 121.501 120.570 -0.107 0.000 2.315 293 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 293 I C 2.271 178.310 176.117 -0.131 0.000 1.117 293 I CA 0.855 62.093 61.300 -0.105 0.000 1.404 293 I CB -0.301 37.739 38.000 0.066 0.000 1.071 293 I HN 0.276 nan 8.210 nan 0.000 0.419 294 M N 0.225 119.801 119.600 -0.040 0.000 2.132 294 M HA -0.115 4.365 4.480 -0.000 0.000 0.263 294 M C 2.446 178.799 176.300 0.087 0.000 1.065 294 M CA 1.811 57.150 55.300 0.065 0.000 1.122 294 M CB -0.908 31.799 32.600 0.178 0.000 1.365 294 M HN 0.190 nan 8.290 nan 0.000 0.411 295 I N -0.066 120.559 120.570 0.091 0.000 2.286 295 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 295 I C 2.396 178.499 176.117 -0.023 0.000 1.115 295 I CA 0.971 62.309 61.300 0.062 0.000 1.392 295 I CB -0.413 37.676 38.000 0.148 0.000 1.065 295 I HN 0.245 nan 8.210 nan 0.000 0.418 296 E N 0.850 120.957 120.200 -0.156 0.000 2.051 296 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 296 E C 2.301 178.801 176.600 -0.168 0.000 0.991 296 E CA 1.412 57.664 56.400 -0.247 0.000 0.799 296 E CB -0.226 29.081 29.700 -0.656 0.000 0.748 296 E HN 0.531 nan 8.360 nan 0.000 0.449 297 I N 0.354 120.841 120.570 -0.138 0.000 2.233 297 I HA -0.184 3.986 4.170 -0.000 0.000 0.243 297 I C 2.646 178.730 176.117 -0.055 0.000 1.093 297 I CA 0.720 61.966 61.300 -0.090 0.000 1.380 297 I CB -0.222 37.744 38.000 -0.057 0.000 1.067 297 I HN -0.040 nan 8.210 nan 0.000 0.413 298 R N 0.864 121.343 120.500 -0.034 0.000 2.249 298 R HA -0.154 4.185 4.340 -0.000 0.000 0.230 298 R C 0.907 177.179 176.300 -0.047 0.000 1.121 298 R CA 1.134 57.213 56.100 -0.034 0.000 0.997 298 R CB 0.015 30.299 30.300 -0.027 0.000 0.867 298 R HN 0.465 nan 8.270 nan 0.000 0.465 299 E N -1.754 118.421 120.200 -0.042 0.000 2.558 299 E HA 0.144 4.494 4.350 -0.000 0.000 0.205 299 E C 0.423 177.010 176.600 -0.023 0.000 1.006 299 E CA 0.290 56.671 56.400 -0.032 0.000 0.961 299 E CB 1.298 30.988 29.700 -0.017 0.000 1.044 299 E HN 0.453 nan 8.360 nan 0.000 0.465 300 G N 1.971 110.750 108.800 -0.035 0.000 2.176 300 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.253 300 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.253 300 G C 0.968 175.837 174.900 -0.052 0.000 0.979 300 G CA 0.167 45.246 45.100 -0.034 0.000 0.641 300 G HN 0.262 nan 8.290 nan 0.000 0.530 301 R N 0.585 121.047 120.500 -0.064 0.000 2.334 301 R HA 0.309 4.649 4.340 -0.000 0.000 0.216 301 R C 1.639 177.832 176.300 -0.179 0.000 0.905 301 R CA 0.368 56.404 56.100 -0.106 0.000 1.064 301 R CB 0.388 30.680 30.300 -0.013 0.000 1.046 301 R HN 0.378 nan 8.270 nan 0.000 0.508 302 G N 0.314 109.014 108.800 -0.166 0.000 2.537 302 G HA2 0.272 4.232 3.960 -0.000 0.000 0.273 302 G HA3 0.272 4.232 3.960 -0.000 0.000 0.273 302 G C -0.107 174.665 174.900 -0.213 0.000 1.189 302 G CA -0.561 44.423 45.100 -0.194 0.000 0.881 302 G HN 0.159 nan 8.290 nan 0.000 0.535 303 C N 0.186 119.295 119.300 -0.319 0.000 2.351 303 C HA 0.624 5.084 4.460 -0.000 0.000 0.359 303 C C 0.435 175.245 174.990 -0.301 0.000 1.193 303 C CA -0.860 57.973 59.018 -0.310 0.000 2.270 303 C CB 1.490 29.038 27.740 -0.320 0.000 2.369 303 C HN 0.783 nan 8.230 nan 0.000 0.553 304 D N -1.210 119.161 120.400 -0.048 0.000 2.624 304 D HA 0.717 5.357 4.640 -0.000 0.000 0.257 304 D C 0.206 176.716 176.300 0.351 0.000 1.167 304 D CA 0.627 54.706 54.000 0.131 0.000 1.086 304 D CB 2.214 43.060 40.800 0.078 0.000 1.210 304 D HN 0.949 nan 8.370 nan 0.000 0.631 305 G N -0.619 108.344 108.800 0.271 0.000 2.339 305 G HA2 0.011 3.971 3.960 -0.000 0.000 0.275 305 G HA3 0.011 3.971 3.960 -0.000 0.000 0.275 305 G C -2.432 172.423 174.900 -0.075 0.000 1.323 305 G CA -0.392 44.798 45.100 0.149 0.000 0.927 305 G HN 0.302 nan 8.290 nan 0.000 0.486 306 P HA 0.077 nan 4.420 nan 0.000 0.223 306 P C 1.247 178.356 177.300 -0.318 0.000 1.151 306 P CA 1.017 63.829 63.100 -0.481 0.000 0.787 306 P CB 0.062 31.317 31.700 -0.741 0.000 0.788 307 W N 0.102 121.413 121.300 0.019 0.000 2.678 307 W HA 0.324 4.984 4.660 -0.000 0.000 0.256 307 W C 1.038 177.594 176.519 0.062 0.000 1.280 307 W CA 1.056 58.404 57.345 0.006 0.000 1.345 307 W CB -0.862 28.530 29.460 -0.112 0.000 1.118 307 W HN 0.020 nan 8.180 nan 0.000 0.629 308 G N 0.331 109.310 108.800 0.298 0.000 2.610 308 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.304 308 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.304 308 G C -3.061 172.038 174.900 0.331 0.000 1.309 308 G CA -1.337 43.907 45.100 0.239 0.000 0.906 308 G HN -0.271 nan 8.290 nan 0.000 0.521 309 P HA 0.368 nan 4.420 nan 0.000 0.271 309 P C -0.224 177.191 177.300 0.192 0.000 1.216 309 P CA 0.469 63.648 63.100 0.133 0.000 0.771 309 P CB 0.675 32.408 31.700 0.055 0.000 0.864 310 H N 0.400 119.501 119.070 0.052 0.000 2.987 310 H HA 0.706 5.262 4.556 -0.000 0.000 0.316 310 H C -1.790 173.544 175.328 0.010 0.000 1.380 310 H CA -1.198 54.867 56.048 0.028 0.000 1.160 310 H CB 0.575 30.346 29.762 0.015 0.000 1.865 310 H HN 0.423 nan 8.280 nan 0.000 0.521 311 A N 1.524 124.408 122.820 0.108 0.000 2.269 311 A HA 0.553 4.873 4.320 -0.000 0.000 0.327 311 A C -0.310 177.408 177.584 0.224 0.000 1.112 311 A CA -0.949 51.158 52.037 0.117 0.000 0.865 311 A CB 0.958 20.092 19.000 0.223 0.000 1.227 311 A HN 0.532 nan 8.150 nan 0.000 0.498 312 K N 0.312 120.819 120.400 0.179 0.000 2.130 312 K HA 0.445 4.765 4.320 -0.000 0.000 0.268 312 K C -1.507 175.125 176.600 0.053 0.000 0.983 312 K CA -0.526 55.825 56.287 0.107 0.000 0.893 312 K CB 1.746 34.294 32.500 0.080 0.000 1.066 312 K HN 0.452 nan 8.250 nan 0.000 0.450 313 L N 2.905 124.117 121.223 -0.019 0.000 2.301 313 L HA 0.270 4.610 4.340 -0.000 0.000 0.278 313 L C -0.234 176.574 176.870 -0.104 0.000 1.022 313 L CA -0.280 54.525 54.840 -0.059 0.000 0.854 313 L CB 0.691 42.715 42.059 -0.058 0.000 1.226 313 L HN 0.462 nan 8.230 nan 0.000 0.429 314 K N 4.518 124.818 120.400 -0.166 0.000 2.312 314 K HA 0.345 4.665 4.320 -0.000 0.000 0.287 314 K C -0.023 176.457 176.600 -0.201 0.000 1.062 314 K CA -0.052 56.113 56.287 -0.203 0.000 0.934 314 K CB 0.610 32.927 32.500 -0.306 0.000 1.027 314 K HN 0.859 nan 8.250 nan 0.000 0.478 315 L N 3.202 124.353 121.223 -0.119 0.000 2.902 315 L HA 0.066 4.406 4.340 -0.000 0.000 0.254 315 L C 1.113 177.873 176.870 -0.183 0.000 1.115 315 L CA 0.111 54.848 54.840 -0.171 0.000 0.947 315 L CB 0.219 42.197 42.059 -0.136 0.000 1.369 315 L HN 0.782 nan 8.230 nan 0.000 0.538 316 D N -0.347 120.015 120.400 -0.064 0.000 2.228 316 D HA -0.318 4.322 4.640 -0.000 0.000 0.203 316 D C 1.885 178.173 176.300 -0.021 0.000 0.988 316 D CA 1.695 55.675 54.000 -0.034 0.000 0.864 316 D CB -0.384 40.420 40.800 0.006 0.000 0.928 316 D HN 0.534 nan 8.370 nan 0.000 0.469 317 H N 0.807 119.845 119.070 -0.053 0.000 2.524 317 H HA 0.024 4.580 4.556 -0.000 0.000 0.282 317 H C 1.748 177.073 175.328 -0.005 0.000 1.016 317 H CA 0.537 56.576 56.048 -0.016 0.000 1.270 317 H CB -0.442 29.325 29.762 0.009 0.000 1.394 317 H HN 0.291 nan 8.280 nan 0.000 0.568 318 L N 0.604 121.571 121.223 -0.427 0.000 2.478 318 L HA 0.160 4.500 4.340 -0.000 0.000 0.223 318 L C 0.928 177.730 176.870 -0.113 0.000 1.140 318 L CA 0.497 55.171 54.840 -0.276 0.000 0.842 318 L CB -0.357 41.521 42.059 -0.302 0.000 0.953 318 L HN 0.536 nan 8.230 nan 0.000 0.452 319 G N 0.626 109.377 108.800 -0.081 0.000 2.721 319 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.686 319 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.686 319 G C 0.307 175.181 174.900 -0.044 0.000 1.236 319 G CA -0.005 45.071 45.100 -0.041 0.000 0.786 319 G HN 0.124 nan 8.290 nan 0.000 0.616 320 K N 0.320 120.702 120.400 -0.030 0.000 2.074 320 K HA -0.173 4.147 4.320 -0.000 0.000 0.209 320 K C 2.206 178.787 176.600 -0.032 0.000 1.048 320 K CA 2.183 58.452 56.287 -0.029 0.000 0.926 320 K CB -0.146 32.342 32.500 -0.020 0.000 0.713 320 K HN 0.681 nan 8.250 nan 0.000 0.444 321 E N -0.138 120.046 120.200 -0.028 0.000 2.085 321 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 321 E C 1.835 178.413 176.600 -0.037 0.000 0.994 321 E CA 1.227 57.610 56.400 -0.028 0.000 0.801 321 E CB 0.192 29.880 29.700 -0.021 0.000 0.743 321 E HN 0.128 nan 8.360 nan 0.000 0.453 322 V N 0.710 120.600 119.914 -0.040 0.000 2.488 322 V HA -0.176 3.943 4.120 -0.000 0.000 0.246 322 V C 2.272 178.335 176.094 -0.052 0.000 1.046 322 V CA 1.013 63.285 62.300 -0.047 0.000 1.053 322 V CB -0.215 31.583 31.823 -0.041 0.000 0.679 322 V HN 0.304 nan 8.190 nan 0.000 0.458 323 L N -0.350 120.841 121.223 -0.055 0.000 2.017 323 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 323 L C 2.448 179.292 176.870 -0.043 0.000 1.073 323 L CA 1.750 56.559 54.840 -0.053 0.000 0.745 323 L CB -0.475 41.550 42.059 -0.058 0.000 0.894 323 L HN 0.342 nan 8.230 nan 0.000 0.432 324 E N -1.166 119.009 120.200 -0.041 0.000 2.347 324 E HA -0.158 4.192 4.350 -0.000 0.000 0.196 324 E C 2.160 178.734 176.600 -0.043 0.000 1.008 324 E CA 0.967 57.344 56.400 -0.038 0.000 0.852 324 E CB 0.175 29.854 29.700 -0.034 0.000 0.783 324 E HN 0.326 nan 8.360 nan 0.000 0.505 325 S N -0.280 115.389 115.700 -0.051 0.000 2.510 325 S HA 0.041 4.511 4.470 -0.000 0.000 0.230 325 S C 1.799 176.350 174.600 -0.082 0.000 1.066 325 S CA 0.028 58.188 58.200 -0.066 0.000 0.941 325 S CB 0.288 63.443 63.200 -0.074 0.000 0.829 325 S HN 0.018 nan 8.310 nan 0.000 0.530 326 R N 0.693 121.146 120.500 -0.078 0.000 2.156 326 R HA 0.407 4.747 4.340 -0.000 0.000 0.207 326 R C 0.620 176.909 176.300 -0.018 0.000 1.040 326 R CA 0.551 56.606 56.100 -0.075 0.000 1.013 326 R CB -0.615 29.646 30.300 -0.064 0.000 0.931 326 R HN 0.415 nan 8.270 nan 0.000 0.465 327 L N 1.992 123.204 121.223 -0.018 0.000 3.193 327 L HA 0.272 4.612 4.340 -0.000 0.000 0.305 327 L C -1.679 175.182 176.870 -0.015 0.000 1.299 327 L CA -0.848 53.990 54.840 -0.003 0.000 0.904 327 L CB 1.446 43.503 42.059 -0.003 0.000 1.331 327 L HN -0.092 nan 8.230 nan 0.000 0.588 328 P HA -0.072 nan 4.420 nan 0.000 0.226 328 P C 1.465 178.751 177.300 -0.022 0.000 1.153 328 P CA 1.044 64.128 63.100 -0.027 0.000 0.777 328 P CB 0.418 32.098 31.700 -0.034 0.000 0.794 329 G N 1.476 110.267 108.800 -0.015 0.000 2.394 329 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.215 329 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.215 329 G C 1.470 176.373 174.900 0.005 0.000 1.165 329 G CA 0.824 45.918 45.100 -0.010 0.000 0.784 329 G HN 0.375 nan 8.290 nan 0.000 0.535 330 I N -0.795 119.778 120.570 0.005 0.000 2.546 330 I HA 0.081 4.251 4.170 -0.000 0.000 0.255 330 I C 2.377 178.496 176.117 0.003 0.000 1.163 330 I CA 0.757 62.061 61.300 0.007 0.000 1.457 330 I CB -0.371 37.627 38.000 -0.003 0.000 1.092 330 I HN 0.040 nan 8.210 nan 0.000 0.434 331 L N 0.625 121.842 121.223 -0.009 0.000 1.990 331 L HA -0.219 4.121 4.340 -0.000 0.000 0.213 331 L C 2.724 179.587 176.870 -0.011 0.000 1.072 331 L CA 2.023 56.853 54.840 -0.016 0.000 0.755 331 L CB -0.783 41.262 42.059 -0.024 0.000 0.889 331 L HN 0.341 nan 8.230 nan 0.000 0.432 332 E N 0.004 120.199 120.200 -0.009 0.000 2.072 332 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 332 E C 2.387 179.000 176.600 0.022 0.000 0.985 332 E CA 0.898 57.292 56.400 -0.011 0.000 0.801 332 E CB -0.048 29.644 29.700 -0.014 0.000 0.750 332 E HN 0.390 nan 8.360 nan 0.000 0.452 333 L N 0.283 121.549 121.223 0.071 0.000 2.083 333 L HA -0.208 4.132 4.340 -0.000 0.000 0.209 333 L C 2.632 179.608 176.870 0.177 0.000 1.083 333 L CA 1.060 56.006 54.840 0.177 0.000 0.752 333 L CB -0.408 41.733 42.059 0.136 0.000 0.899 333 L HN 0.164 nan 8.230 nan 0.000 0.433 334 S N -0.110 115.637 115.700 0.078 0.000 2.357 334 S HA -0.152 4.318 4.470 -0.000 0.000 0.221 334 S C 2.116 176.744 174.600 0.046 0.000 1.031 334 S CA 1.009 59.242 58.200 0.056 0.000 0.982 334 S CB -0.027 63.176 63.200 0.004 0.000 0.853 334 S HN 0.301 nan 8.310 nan 0.000 0.458 335 R N 0.089 120.586 120.500 -0.005 0.000 2.096 335 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 335 R C 2.479 178.676 176.300 -0.173 0.000 1.127 335 R CA 1.999 58.061 56.100 -0.064 0.000 0.968 335 R CB -0.726 29.529 30.300 -0.074 0.000 0.861 335 R HN 0.426 nan 8.270 nan 0.000 0.440 336 T N -0.037 114.413 114.554 -0.174 0.000 2.732 336 T HA -0.044 4.306 4.350 -0.000 0.000 0.261 336 T C 1.194 175.671 174.700 -0.372 0.000 1.040 336 T CA 1.210 63.084 62.100 -0.377 0.000 1.145 336 T CB -0.134 68.440 68.868 -0.490 0.000 0.866 336 T HN 0.090 nan 8.240 nan 0.000 0.427 337 F N 0.375 120.352 119.950 0.046 0.000 2.746 337 F HA 0.527 5.054 4.527 -0.000 0.000 0.297 337 F C 2.050 177.987 175.800 0.229 0.000 1.113 337 F CA -0.191 57.887 58.000 0.131 0.000 1.367 337 F CB 0.114 39.166 39.000 0.086 0.000 1.111 337 F HN 0.150 nan 8.300 nan 0.000 0.590 338 A N -2.090 120.952 122.820 0.369 0.000 2.358 338 A HA 0.251 4.571 4.320 -0.000 0.000 0.223 338 A C 0.189 178.113 177.584 0.565 0.000 1.218 338 A CA -0.025 52.272 52.037 0.433 0.000 0.942 338 A CB -0.588 18.499 19.000 0.146 0.000 1.005 338 A HN 0.381 nan 8.150 nan 0.000 0.514 339 H N -1.531 117.652 119.070 0.187 0.000 2.861 339 H HA -0.139 4.417 4.556 -0.000 0.000 0.289 339 H C -0.478 174.942 175.328 0.153 0.000 1.176 339 H CA 0.754 56.884 56.048 0.137 0.000 1.146 339 H CB -2.128 27.704 29.762 0.117 0.000 1.330 339 H HN 0.236 nan 8.280 nan 0.000 0.379 340 V N 0.466 120.495 119.914 0.192 0.000 2.540 340 V HA 0.237 4.357 4.120 -0.000 0.000 0.302 340 V C 0.205 176.324 176.094 0.043 0.000 1.035 340 V CA -0.881 61.492 62.300 0.121 0.000 0.873 340 V CB 2.157 34.011 31.823 0.052 0.000 0.992 340 V HN 0.245 nan 8.190 nan 0.000 0.428 341 D N 6.379 126.799 120.400 0.033 0.000 2.380 341 D HA 0.362 5.002 4.640 -0.000 0.000 0.230 341 D C -1.777 174.518 176.300 -0.007 0.000 1.154 341 D CA -2.154 51.850 54.000 0.007 0.000 0.859 341 D CB 2.144 42.950 40.800 0.010 0.000 1.045 341 D HN 0.191 nan 8.370 nan 0.000 0.495 342 P HA -0.084 nan 4.420 nan 0.000 0.230 342 P C 1.323 178.600 177.300 -0.038 0.000 1.158 342 P CA 0.333 63.410 63.100 -0.038 0.000 0.769 342 P CB 0.380 32.052 31.700 -0.047 0.000 0.807 343 V N -0.085 119.812 119.914 -0.029 0.000 2.548 343 V HA -0.163 3.957 4.120 -0.000 0.000 0.249 343 V C 2.097 178.183 176.094 -0.013 0.000 1.055 343 V CA 1.609 63.894 62.300 -0.026 0.000 1.065 343 V CB -0.856 30.954 31.823 -0.021 0.000 0.681 343 V HN 0.190 nan 8.190 nan 0.000 0.462 344 K N 0.103 120.501 120.400 -0.004 0.000 2.262 344 K HA 0.252 4.572 4.320 -0.000 0.000 0.200 344 K C 0.842 177.449 176.600 0.012 0.000 1.058 344 K CA 0.309 56.602 56.287 0.009 0.000 0.974 344 K CB 0.754 33.264 32.500 0.018 0.000 0.910 344 K HN 0.469 nan 8.250 nan 0.000 0.484 345 E N 1.494 121.697 120.200 0.005 0.000 2.292 345 E HA 0.294 4.644 4.350 -0.000 0.000 0.272 345 E C -2.834 173.750 176.600 -0.027 0.000 0.881 345 E CA -2.467 53.936 56.400 0.006 0.000 0.754 345 E CB 2.551 32.270 29.700 0.032 0.000 1.201 345 E HN -0.231 nan 8.360 nan 0.000 0.425 346 P HA 0.034 nan 4.420 nan 0.000 0.265 346 P C -0.472 176.747 177.300 -0.135 0.000 1.187 346 P CA 0.449 63.505 63.100 -0.074 0.000 0.766 346 P CB 0.340 32.010 31.700 -0.050 0.000 0.820 347 I N 5.415 125.897 120.570 -0.147 0.000 2.496 347 I HA 0.149 4.319 4.170 -0.000 0.000 0.285 347 I C -1.735 174.202 176.117 -0.301 0.000 1.080 347 I CA -2.112 59.058 61.300 -0.218 0.000 1.404 347 I CB 0.630 38.546 38.000 -0.141 0.000 1.403 347 I HN 0.185 nan 8.210 nan 0.000 0.539 348 P HA 0.134 nan 4.420 nan 0.000 0.276 348 P C -0.984 176.110 177.300 -0.344 0.000 1.243 348 P CA -0.033 62.628 63.100 -0.733 0.000 0.768 348 P CB 0.951 31.654 31.700 -1.662 0.000 0.856 349 V N 2.413 122.273 119.914 -0.090 0.000 2.808 349 V HA 0.673 4.793 4.120 -0.000 0.000 0.308 349 V C -0.729 175.415 176.094 0.082 0.000 1.099 349 V CA -0.987 61.310 62.300 -0.004 0.000 0.920 349 V CB 2.293 34.119 31.823 0.004 0.000 1.014 349 V HN 0.515 nan 8.190 nan 0.000 0.425 350 I N 4.064 124.680 120.570 0.077 0.000 2.619 350 I HA 0.661 4.831 4.170 -0.000 0.000 0.292 350 I C -2.718 173.456 176.117 0.096 0.000 1.100 350 I CA -2.539 58.818 61.300 0.095 0.000 1.043 350 I CB 3.305 41.370 38.000 0.108 0.000 1.239 350 I HN 0.520 nan 8.210 nan 0.000 0.420 351 P HA 0.028 nan 4.420 nan 0.000 0.259 351 P C -1.329 176.093 177.300 0.203 0.000 1.163 351 P CA 0.514 63.693 63.100 0.133 0.000 0.760 351 P CB 0.291 32.035 31.700 0.074 0.000 0.762 352 T N 2.331 117.027 114.554 0.238 0.000 2.900 352 T HA 0.221 4.571 4.350 -0.000 0.000 0.295 352 T C -0.513 174.254 174.700 0.112 0.000 1.044 352 T CA -0.455 61.769 62.100 0.206 0.000 0.995 352 T CB 1.133 70.060 68.868 0.098 0.000 1.072 352 T HN 0.403 nan 8.240 nan 0.000 0.473 353 C N 2.985 122.205 119.300 -0.134 0.000 2.633 353 C HA 0.277 4.737 4.460 -0.000 0.000 0.415 353 C C 1.311 176.184 174.990 -0.195 0.000 1.393 353 C CA 0.829 59.424 59.018 -0.705 0.000 1.700 353 C CB -1.376 25.800 27.740 -0.940 0.000 2.541 353 C HN 1.134 nan 8.230 nan 0.000 0.603 354 H N 2.421 121.360 119.070 -0.218 0.000 1.920 354 H HA 0.287 4.843 4.556 -0.000 0.000 0.186 354 H C -0.936 174.475 175.328 0.138 0.000 0.924 354 H CA 0.518 56.578 56.048 0.021 0.000 1.039 354 H CB 0.161 29.988 29.762 0.109 0.000 1.126 354 H HN 0.716 nan 8.280 nan 0.000 0.379 355 Y N 1.342 121.609 120.300 -0.055 0.000 2.442 355 Y HA 0.356 4.906 4.550 -0.000 0.000 0.344 355 Y C -1.041 174.695 175.900 -0.273 0.000 0.976 355 Y CA -1.222 56.775 58.100 -0.172 0.000 1.040 355 Y CB 1.605 39.974 38.460 -0.151 0.000 1.228 355 Y HN 0.195 nan 8.280 nan 0.000 0.451 356 M N 7.632 126.647 119.600 -0.974 0.000 2.151 356 M HA 0.195 4.675 4.480 -0.000 0.000 0.349 356 M C -0.325 175.418 176.300 -0.929 0.000 1.284 356 M CA -0.172 54.330 55.300 -1.329 0.000 1.173 356 M CB 0.848 32.681 32.600 -1.278 0.000 1.469 356 M HN 1.080 nan 8.290 nan 0.000 0.439 357 M N 3.360 122.666 119.600 -0.490 0.000 2.175 357 M HA 0.084 4.564 4.480 -0.000 0.000 0.264 357 M C 1.293 177.505 176.300 -0.146 0.000 1.063 357 M CA 1.302 56.562 55.300 -0.066 0.000 1.119 357 M CB -0.319 32.302 32.600 0.036 0.000 1.377 357 M HN 0.787 nan 8.290 nan 0.000 0.415 358 G N -1.102 107.508 108.800 -0.316 0.000 2.583 358 G HA2 0.485 4.445 3.960 -0.000 0.000 0.275 358 G HA3 0.485 4.445 3.960 -0.000 0.000 0.275 358 G C 0.169 174.941 174.900 -0.212 0.000 1.342 358 G CA -0.098 44.870 45.100 -0.219 0.000 1.030 358 G HN 0.664 nan 8.290 nan 0.000 0.520 359 G N -1.974 106.741 108.800 -0.142 0.000 2.340 359 G HA2 0.218 4.178 3.960 -0.000 0.000 0.282 359 G HA3 0.218 4.178 3.960 -0.000 0.000 0.282 359 G C -0.845 174.006 174.900 -0.080 0.000 1.312 359 G CA -0.614 44.418 45.100 -0.114 0.000 0.942 359 G HN 0.763 nan 8.290 nan 0.000 0.495 360 I N 3.260 123.788 120.570 -0.071 0.000 2.517 360 I HA 0.265 4.434 4.170 -0.000 0.000 0.285 360 I C -1.580 174.481 176.117 -0.094 0.000 1.106 360 I CA -1.402 59.859 61.300 -0.066 0.000 1.402 360 I CB 1.241 39.211 38.000 -0.052 0.000 1.399 360 I HN 0.191 nan 8.210 nan 0.000 0.535 361 P HA 0.087 nan 4.420 nan 0.000 0.271 361 P C -0.591 176.625 177.300 -0.139 0.000 1.220 361 P CA -0.049 62.967 63.100 -0.140 0.000 0.768 361 P CB 0.667 32.291 31.700 -0.127 0.000 0.848 362 T N -0.088 114.367 114.554 -0.165 0.000 2.883 362 T HA 0.517 4.867 4.350 -0.000 0.000 0.301 362 T C -0.229 174.369 174.700 -0.170 0.000 1.158 362 T CA -1.054 60.952 62.100 -0.157 0.000 1.007 362 T CB 1.697 70.477 68.868 -0.148 0.000 1.186 362 T HN 0.108 nan 8.240 nan 0.000 0.499 363 K N 0.512 120.825 120.400 -0.146 0.000 2.102 363 K HA 0.497 4.817 4.320 -0.000 0.000 0.244 363 K C 1.349 177.856 176.600 -0.155 0.000 1.021 363 K CA -0.709 55.492 56.287 -0.143 0.000 0.913 363 K CB 0.616 33.041 32.500 -0.125 0.000 1.062 363 K HN 0.365 nan 8.250 nan 0.000 0.485 364 V N 0.898 120.712 119.914 -0.167 0.000 2.490 364 V HA -0.260 3.860 4.120 -0.000 0.000 0.250 364 V C 2.182 178.226 176.094 -0.084 0.000 1.061 364 V CA 2.366 64.582 62.300 -0.139 0.000 1.064 364 V CB -1.089 30.552 31.823 -0.303 0.000 0.670 364 V HN 1.046 nan 8.190 nan 0.000 0.461 365 T N -2.174 112.291 114.554 -0.147 0.000 2.977 365 T HA 0.040 4.390 4.350 -0.000 0.000 0.271 365 T C 1.686 176.471 174.700 0.141 0.000 1.105 365 T CA 1.366 63.437 62.100 -0.048 0.000 1.116 365 T CB -0.098 68.737 68.868 -0.054 0.000 0.878 365 T HN 1.008 nan 8.240 nan 0.000 0.509 366 G N 0.438 109.299 108.800 0.102 0.000 2.194 366 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.236 366 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.236 366 G C -0.052 174.958 174.900 0.183 0.000 0.987 366 G CA -0.029 45.175 45.100 0.173 0.000 0.635 366 G HN 0.670 nan 8.290 nan 0.000 0.520 367 Q N 0.891 120.719 119.800 0.046 0.000 2.286 367 Q HA 0.480 4.820 4.340 -0.000 0.000 0.290 367 Q C 0.720 176.561 176.000 -0.264 0.000 1.049 367 Q CA 0.482 56.075 55.803 -0.350 0.000 0.923 367 Q CB 0.793 29.350 28.738 -0.303 0.000 1.183 367 Q HN 0.827 nan 8.270 nan 0.000 0.383 368 A N 3.878 126.501 122.820 -0.328 0.000 2.327 368 A HA 0.516 4.836 4.320 -0.000 0.000 0.283 368 A C -0.620 176.859 177.584 -0.174 0.000 1.127 368 A CA -0.493 51.428 52.037 -0.194 0.000 0.810 368 A CB 0.458 19.366 19.000 -0.153 0.000 1.066 368 A HN 0.707 nan 8.150 nan 0.000 0.492 369 L N 1.251 122.395 121.223 -0.132 0.000 2.331 369 L HA 0.672 5.012 4.340 -0.000 0.000 0.275 369 L C 0.572 177.389 176.870 -0.089 0.000 1.022 369 L CA -0.392 54.382 54.840 -0.111 0.000 0.812 369 L CB 2.131 44.128 42.059 -0.103 0.000 1.257 369 L HN 0.810 nan 8.230 nan 0.000 0.435 370 T N 1.019 115.526 114.554 -0.079 0.000 2.864 370 T HA 0.695 5.045 4.350 -0.000 0.000 0.289 370 T C -1.128 173.538 174.700 -0.056 0.000 1.082 370 T CA -0.514 61.547 62.100 -0.065 0.000 1.009 370 T CB 1.861 70.691 68.868 -0.064 0.000 1.234 370 T HN 0.391 nan 8.240 nan 0.000 0.526 371 V N 2.296 122.180 119.914 -0.051 0.000 2.667 371 V HA 0.740 4.860 4.120 -0.000 0.000 0.308 371 V C 0.154 176.223 176.094 -0.041 0.000 1.048 371 V CA -1.165 61.110 62.300 -0.042 0.000 0.928 371 V CB 1.234 33.036 31.823 -0.035 0.000 1.004 371 V HN 1.005 nan 8.190 nan 0.000 0.444 372 N N 2.610 121.288 118.700 -0.035 0.000 2.366 372 N HA 0.117 4.857 4.740 -0.000 0.000 0.277 372 N C 0.998 176.490 175.510 -0.030 0.000 1.275 372 N CA 0.068 53.099 53.050 -0.032 0.000 0.964 372 N CB 0.061 38.532 38.487 -0.027 0.000 1.167 372 N HN 0.851 nan 8.380 nan 0.000 0.568 373 E N -0.304 119.880 120.200 -0.027 0.000 2.267 373 E HA -0.231 4.119 4.350 -0.000 0.000 0.197 373 E C 0.490 177.078 176.600 -0.020 0.000 0.998 373 E CA 1.259 57.644 56.400 -0.024 0.000 0.830 373 E CB -0.358 29.329 29.700 -0.021 0.000 0.751 373 E HN 0.651 nan 8.360 nan 0.000 0.491 374 K N -0.136 120.253 120.400 -0.018 0.000 2.426 374 K HA 0.132 4.452 4.320 -0.000 0.000 0.193 374 K C 1.188 177.780 176.600 -0.013 0.000 1.028 374 K CA 0.471 56.750 56.287 -0.014 0.000 1.047 374 K CB 0.533 33.026 32.500 -0.012 0.000 0.821 374 K HN 0.337 nan 8.250 nan 0.000 0.513 375 G N 1.749 110.539 108.800 -0.016 0.000 2.195 375 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.246 375 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.246 375 G C -0.252 174.641 174.900 -0.012 0.000 0.984 375 G CA -0.174 44.918 45.100 -0.013 0.000 0.633 375 G HN 0.362 nan 8.290 nan 0.000 0.525 376 E N 1.211 121.403 120.200 -0.014 0.000 2.390 376 E HA 0.371 4.721 4.350 -0.000 0.000 0.261 376 E C -0.569 176.017 176.600 -0.022 0.000 1.076 376 E CA -0.360 56.031 56.400 -0.015 0.000 0.905 376 E CB 0.501 30.191 29.700 -0.016 0.000 0.984 376 E HN 0.279 nan 8.360 nan 0.000 0.427 377 D N 1.484 121.869 120.400 -0.024 0.000 2.351 377 D HA 0.163 4.803 4.640 -0.000 0.000 0.251 377 D C -0.408 175.867 176.300 -0.041 0.000 1.137 377 D CA -0.105 53.873 54.000 -0.036 0.000 0.879 377 D CB 1.184 41.961 40.800 -0.039 0.000 1.181 377 D HN 0.171 nan 8.370 nan 0.000 0.448 378 V N -0.034 119.850 119.914 -0.050 0.000 2.823 378 V HA 0.554 4.673 4.120 -0.000 0.000 0.312 378 V C -0.327 175.722 176.094 -0.074 0.000 1.072 378 V CA -0.857 61.410 62.300 -0.055 0.000 0.937 378 V CB 1.936 33.731 31.823 -0.047 0.000 1.013 378 V HN 0.236 nan 8.190 nan 0.000 0.430 379 V N 4.450 124.314 119.914 -0.084 0.000 2.686 379 V HA 0.241 4.361 4.120 -0.000 0.000 0.295 379 V C 0.449 176.471 176.094 -0.119 0.000 1.055 379 V CA -0.280 61.948 62.300 -0.118 0.000 1.050 379 V CB 1.391 33.135 31.823 -0.132 0.000 0.984 379 V HN 0.778 nan 8.190 nan 0.000 0.482 380 V N 7.480 127.304 119.914 -0.149 0.000 2.356 380 V HA 0.187 4.307 4.120 -0.000 0.000 0.258 380 V C -2.091 173.902 176.094 -0.168 0.000 1.065 380 V CA -1.556 60.664 62.300 -0.133 0.000 0.935 380 V CB 0.515 32.264 31.823 -0.123 0.000 1.061 380 V HN 0.799 nan 8.190 nan 0.000 0.484 381 P HA 0.198 nan 4.420 nan 0.000 0.265 381 P C 1.089 178.350 177.300 -0.065 0.000 1.193 381 P CA 1.076 64.121 63.100 -0.093 0.000 0.765 381 P CB 0.679 32.357 31.700 -0.037 0.000 0.823 382 G N 1.267 110.045 108.800 -0.036 0.000 2.189 382 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.267 382 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.267 382 G C -0.282 174.700 174.900 0.137 0.000 0.975 382 G CA 0.122 45.298 45.100 0.127 0.000 0.644 382 G HN 0.593 nan 8.290 nan 0.000 0.537 383 L N 0.142 121.305 121.223 -0.101 0.000 2.329 383 L HA 0.925 5.265 4.340 -0.000 0.000 0.279 383 L C -0.645 176.056 176.870 -0.282 0.000 1.014 383 L CA -1.458 53.356 54.840 -0.043 0.000 0.814 383 L CB 1.119 43.142 42.059 -0.060 0.000 1.257 383 L HN 0.049 nan 8.230 nan 0.000 0.424 384 F N 3.016 122.954 119.950 -0.019 0.000 2.629 384 F HA 0.881 5.408 4.527 -0.000 0.000 0.316 384 F C -0.155 175.627 175.800 -0.031 0.000 1.081 384 F CA -0.582 57.404 58.000 -0.023 0.000 0.954 384 F CB 2.215 41.208 39.000 -0.012 0.000 1.337 384 F HN 0.606 nan 8.300 nan 0.000 0.474 385 A N 1.124 124.035 122.820 0.151 0.000 2.517 385 A HA 0.823 5.143 4.320 -0.000 0.000 0.297 385 A C -1.622 175.996 177.584 0.056 0.000 1.050 385 A CA -0.708 51.369 52.037 0.067 0.000 0.694 385 A CB 1.559 20.562 19.000 0.006 0.000 1.277 385 A HN 1.208 nan 8.150 nan 0.000 0.400 386 V N -0.456 119.488 119.914 0.050 0.000 3.078 386 V HA 1.018 5.138 4.120 -0.000 0.000 0.311 386 V C 0.466 176.597 176.094 0.061 0.000 1.138 386 V CA 0.240 62.582 62.300 0.070 0.000 1.007 386 V CB 0.927 32.816 31.823 0.110 0.000 1.045 386 V HN 2.963 nan 8.190 nan 0.000 0.432 387 G N 1.603 110.465 108.800 0.102 0.000 2.527 387 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.227 387 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.227 387 G C 0.509 175.458 174.900 0.082 0.000 1.291 387 G CA 0.781 45.948 45.100 0.111 0.000 0.904 387 G HN 1.337 nan 8.290 nan 0.000 0.577 388 E N -0.807 119.414 120.200 0.034 0.000 2.153 388 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 388 E C 2.528 179.024 176.600 -0.173 0.000 0.988 388 E CA 1.366 57.693 56.400 -0.121 0.000 0.811 388 E CB -0.116 29.429 29.700 -0.257 0.000 0.746 388 E HN 0.461 nan 8.360 nan 0.000 0.466 389 I N 0.699 121.208 120.570 -0.102 0.000 2.916 389 I HA -0.055 4.115 4.170 -0.000 0.000 0.267 389 I C 0.397 176.466 176.117 -0.080 0.000 1.263 389 I CA 0.365 61.609 61.300 -0.094 0.000 1.471 389 I CB -0.383 37.582 38.000 -0.058 0.000 1.089 389 I HN -0.003 nan 8.210 nan 0.000 0.468 390 A N -0.401 122.383 122.820 -0.060 0.000 2.310 390 A HA 0.485 4.805 4.320 -0.000 0.000 0.299 390 A C -0.372 177.161 177.584 -0.084 0.000 1.147 390 A CA -0.437 51.557 52.037 -0.072 0.000 0.818 390 A CB 0.609 19.567 19.000 -0.069 0.000 1.096 390 A HN 0.352 nan 8.150 nan 0.000 0.495 391 C N 4.089 123.318 119.300 -0.118 0.000 2.301 391 C HA 0.466 4.926 4.460 -0.000 0.000 0.313 391 C C 1.393 176.260 174.990 -0.205 0.000 1.121 391 C CA -0.432 58.507 59.018 -0.131 0.000 1.507 391 C CB -1.306 26.353 27.740 -0.134 0.000 1.975 391 C HN 0.688 nan 8.230 nan 0.000 0.425 392 V N 3.631 123.395 119.914 -0.250 0.000 2.270 392 V HA -0.006 4.114 4.120 -0.000 0.000 0.245 392 V C 1.387 177.316 176.094 -0.274 0.000 1.043 392 V CA 1.701 63.789 62.300 -0.354 0.000 1.014 392 V CB -0.459 30.975 31.823 -0.648 0.000 0.645 392 V HN 0.809 nan 8.190 nan 0.000 0.447 393 S N -0.466 115.109 115.700 -0.209 0.000 2.478 393 S HA 0.421 4.891 4.470 -0.000 0.000 0.312 393 S C 0.228 174.751 174.600 -0.129 0.000 1.094 393 S CA -0.281 57.824 58.200 -0.159 0.000 1.081 393 S CB 1.831 64.991 63.200 -0.066 0.000 1.007 393 S HN 0.283 nan 8.310 nan 0.000 0.475 394 V N 3.015 122.758 119.914 -0.284 0.000 3.621 394 V HA 0.397 4.517 4.120 -0.000 0.000 0.285 394 V C 0.953 176.825 176.094 -0.369 0.000 1.346 394 V CA 0.318 62.433 62.300 -0.309 0.000 1.104 394 V CB -0.751 30.911 31.823 -0.267 0.000 0.913 394 V HN 0.918 nan 8.190 nan 0.000 0.432 395 H N 0.574 119.680 119.070 0.061 0.000 2.855 395 H HA 0.426 4.982 4.556 -0.000 0.000 0.259 395 H C 1.982 177.345 175.328 0.058 0.000 0.972 395 H CA 0.535 56.612 56.048 0.048 0.000 1.213 395 H CB 0.696 30.489 29.762 0.052 0.000 1.451 395 H HN 0.483 nan 8.280 nan 0.000 0.484 396 G N 1.615 110.521 108.800 0.176 0.000 2.698 396 G HA2 -0.444 3.516 3.960 -0.000 0.000 0.337 396 G HA3 -0.444 3.516 3.960 -0.000 0.000 0.337 396 G C 1.360 176.351 174.900 0.152 0.000 1.196 396 G CA 1.966 47.168 45.100 0.171 0.000 0.965 396 G HN 0.636 nan 8.290 nan 0.000 0.550 397 A N -0.011 122.881 122.820 0.120 0.000 2.252 397 A HA 0.586 4.906 4.320 -0.000 0.000 0.213 397 A C 0.759 178.410 177.584 0.112 0.000 1.188 397 A CA 1.617 53.724 52.037 0.117 0.000 0.863 397 A CB 0.130 19.200 19.000 0.116 0.000 0.893 397 A HN 1.517 nan 8.150 nan 0.000 0.495 398 N N -0.663 118.097 118.700 0.100 0.000 2.600 398 N HA 0.228 4.968 4.740 -0.000 0.000 0.272 398 N C -1.013 174.534 175.510 0.062 0.000 1.095 398 N CA -0.428 52.669 53.050 0.078 0.000 0.993 398 N CB 1.070 39.600 38.487 0.072 0.000 1.603 398 N HN 0.243 nan 8.380 nan 0.000 0.526 399 R N 3.936 124.433 120.500 -0.005 0.000 2.441 399 R HA 0.433 4.773 4.340 -0.000 0.000 0.284 399 R C -0.455 175.814 176.300 -0.053 0.000 1.070 399 R CA -0.426 55.621 56.100 -0.088 0.000 1.047 399 R CB 0.559 30.514 30.300 -0.574 0.000 1.016 399 R HN 0.550 nan 8.270 nan 0.000 0.477 400 L N 2.743 123.983 121.223 0.029 0.000 2.417 400 L HA 0.261 4.600 4.340 -0.000 0.000 0.268 400 L C 1.079 177.990 176.870 0.070 0.000 1.158 400 L CA -0.401 54.476 54.840 0.061 0.000 0.819 400 L CB 0.973 43.109 42.059 0.128 0.000 1.112 400 L HN 0.825 nan 8.230 nan 0.000 0.458 401 G N 0.410 109.313 108.800 0.172 0.000 2.340 401 G HA2 0.355 4.315 3.960 -0.000 0.000 0.245 401 G HA3 0.355 4.315 3.960 -0.000 0.000 0.245 401 G C 0.927 175.928 174.900 0.169 0.000 1.294 401 G CA 0.403 45.726 45.100 0.372 0.000 0.896 401 G HN 1.058 nan 8.290 nan 0.000 0.522 402 G N 2.141 110.945 108.800 0.006 0.000 2.179 402 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.260 402 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.260 402 G C 1.097 175.971 174.900 -0.044 0.000 0.977 402 G CA 0.617 45.612 45.100 -0.176 0.000 0.641 402 G HN 0.683 nan 8.290 nan 0.000 0.533 403 N N 0.133 118.854 118.700 0.034 0.000 2.392 403 N HA 0.174 4.914 4.740 -0.000 0.000 0.177 403 N C 2.086 177.692 175.510 0.160 0.000 1.066 403 N CA 1.213 54.348 53.050 0.141 0.000 0.895 403 N CB 0.061 38.688 38.487 0.233 0.000 0.988 403 N HN 0.368 nan 8.380 nan 0.000 0.457 404 S N 0.072 115.774 115.700 0.003 0.000 2.371 404 S HA 0.136 4.606 4.470 -0.000 0.000 0.224 404 S C 1.774 176.450 174.600 0.126 0.000 1.029 404 S CA 0.487 58.703 58.200 0.027 0.000 0.978 404 S CB -0.087 63.049 63.200 -0.107 0.000 0.833 404 S HN 0.209 nan 8.310 nan 0.000 0.466 405 L N 0.846 122.116 121.223 0.078 0.000 2.083 405 L HA -0.088 4.251 4.340 -0.000 0.000 0.209 405 L C 2.459 179.380 176.870 0.085 0.000 1.083 405 L CA 0.931 55.816 54.840 0.075 0.000 0.752 405 L CB -0.570 41.516 42.059 0.045 0.000 0.899 405 L HN 0.360 nan 8.230 nan 0.000 0.433 406 L N 0.488 121.763 121.223 0.087 0.000 2.017 406 L HA -0.269 4.071 4.340 -0.000 0.000 0.208 406 L C 2.210 179.143 176.870 0.105 0.000 1.073 406 L CA 2.052 56.939 54.840 0.078 0.000 0.745 406 L CB -0.617 41.501 42.059 0.098 0.000 0.894 406 L HN 0.243 nan 8.230 nan 0.000 0.432 407 D N -0.554 119.979 120.400 0.220 0.000 2.160 407 D HA -0.267 4.373 4.640 -0.000 0.000 0.189 407 D C 2.143 178.634 176.300 0.318 0.000 1.003 407 D CA 2.364 56.591 54.000 0.379 0.000 0.846 407 D CB -0.331 40.760 40.800 0.484 0.000 0.949 407 D HN 0.424 nan 8.370 nan 0.000 0.446 408 L N -0.266 121.089 121.223 0.219 0.000 1.956 408 L HA -0.213 4.127 4.340 -0.000 0.000 0.216 408 L C 2.830 179.768 176.870 0.113 0.000 1.073 408 L CA 1.299 56.236 54.840 0.161 0.000 0.762 408 L CB -0.955 41.172 42.059 0.113 0.000 0.889 408 L HN 0.033 nan 8.230 nan 0.000 0.433 409 V N -0.408 119.546 119.914 0.066 0.000 2.287 409 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 409 V C 2.424 178.509 176.094 -0.014 0.000 1.053 409 V CA 1.778 64.091 62.300 0.021 0.000 1.027 409 V CB -0.397 31.429 31.823 0.005 0.000 0.646 409 V HN 0.232 nan 8.190 nan 0.000 0.447 410 V N -1.023 118.843 119.914 -0.081 0.000 2.358 410 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 410 V C 2.118 178.074 176.094 -0.230 0.000 1.047 410 V CA 2.005 64.159 62.300 -0.243 0.000 1.035 410 V CB -0.698 30.851 31.823 -0.458 0.000 0.658 410 V HN 0.457 nan 8.190 nan 0.000 0.452 411 F N 1.102 121.129 119.950 0.127 0.000 2.473 411 F HA 0.236 4.763 4.527 0.000 0.000 0.294 411 F C 2.359 178.210 175.800 0.085 0.000 1.103 411 F CA 0.758 58.829 58.000 0.118 0.000 1.442 411 F CB -1.247 37.806 39.000 0.089 0.000 1.097 411 F HN 0.149 nan 8.300 nan 0.000 0.547 412 G N 0.180 109.100 108.800 0.200 0.000 2.459 412 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 412 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 412 G C 1.855 176.801 174.900 0.077 0.000 1.183 412 G CA 0.848 46.015 45.100 0.112 0.000 0.776 412 G HN 0.237 nan 8.290 nan 0.000 0.552 413 R N 0.516 121.051 120.500 0.058 0.000 2.081 413 R HA 0.032 4.372 4.340 -0.000 0.000 0.235 413 R C 2.885 179.230 176.300 0.076 0.000 1.131 413 R CA 1.393 57.516 56.100 0.037 0.000 0.960 413 R CB -0.365 29.939 30.300 0.008 0.000 0.856 413 R HN 0.306 nan 8.270 nan 0.000 0.436 414 A N 0.721 123.627 122.820 0.143 0.000 1.902 414 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 414 A C 2.332 180.056 177.584 0.235 0.000 1.181 414 A CA 1.620 53.804 52.037 0.245 0.000 0.623 414 A CB -0.702 18.477 19.000 0.299 0.000 0.818 414 A HN 0.520 nan 8.150 nan 0.000 0.443 415 A N -0.554 122.371 122.820 0.175 0.000 1.933 415 A HA 0.113 4.433 4.320 -0.000 0.000 0.218 415 A C 2.336 179.938 177.584 0.029 0.000 1.175 415 A CA 1.964 54.075 52.037 0.123 0.000 0.628 415 A CB -1.205 17.852 19.000 0.094 0.000 0.814 415 A HN 0.679 nan 8.150 nan 0.000 0.444 416 G N -0.399 108.407 108.800 0.009 0.000 2.394 416 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.214 416 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.214 416 G C 1.546 176.421 174.900 -0.043 0.000 1.176 416 G CA 0.804 45.881 45.100 -0.040 0.000 0.786 416 G HN 0.395 nan 8.290 nan 0.000 0.533 417 L N -0.117 121.081 121.223 -0.042 0.000 2.021 417 L HA -0.155 4.185 4.340 -0.000 0.000 0.215 417 L C 2.486 179.216 176.870 -0.233 0.000 1.074 417 L CA 1.233 55.983 54.840 -0.150 0.000 0.760 417 L CB -0.318 41.624 42.059 -0.195 0.000 0.889 417 L HN 0.298 nan 8.230 nan 0.000 0.433 418 H N -1.492 117.585 119.070 0.012 0.000 2.539 418 H HA 0.037 4.593 4.556 -0.000 0.000 0.269 418 H C 1.915 177.258 175.328 0.024 0.000 0.980 418 H CA 0.149 56.211 56.048 0.024 0.000 1.152 418 H CB 0.569 30.354 29.762 0.038 0.000 1.407 418 H HN 0.220 nan 8.280 nan 0.000 0.564 419 L N 0.974 122.221 121.223 0.041 0.000 2.083 419 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 419 L C 2.474 179.351 176.870 0.011 0.000 1.083 419 L CA 1.539 56.354 54.840 -0.040 0.000 0.752 419 L CB -0.184 41.776 42.059 -0.165 0.000 0.899 419 L HN 0.160 nan 8.230 nan 0.000 0.433 420 Q N -0.859 118.947 119.800 0.009 0.000 2.046 420 Q HA -0.242 4.098 4.340 -0.000 0.000 0.200 420 Q C 2.139 178.169 176.000 0.049 0.000 0.975 420 Q CA 1.935 57.749 55.803 0.019 0.000 0.836 420 Q CB -0.039 28.699 28.738 0.000 0.000 0.896 420 Q HN 0.591 nan 8.270 nan 0.000 0.428 421 E N -0.289 119.953 120.200 0.070 0.000 2.077 421 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 421 E C 2.119 178.782 176.600 0.105 0.000 0.989 421 E CA 1.305 57.758 56.400 0.089 0.000 0.800 421 E CB 0.074 29.849 29.700 0.124 0.000 0.746 421 E HN 0.159 nan 8.360 nan 0.000 0.452 422 S N 0.608 116.398 115.700 0.151 0.000 2.370 422 S HA -0.148 4.322 4.470 -0.000 0.000 0.226 422 S C 1.995 176.713 174.600 0.196 0.000 1.033 422 S CA 0.854 59.179 58.200 0.208 0.000 1.011 422 S CB -0.158 63.283 63.200 0.401 0.000 0.852 422 S HN 0.220 nan 8.310 nan 0.000 0.457 423 I N 1.488 122.155 120.570 0.162 0.000 2.252 423 I HA -0.179 3.991 4.170 -0.000 0.000 0.245 423 I C 2.716 178.882 176.117 0.081 0.000 1.102 423 I CA 1.043 62.418 61.300 0.125 0.000 1.385 423 I CB -0.516 37.534 38.000 0.083 0.000 1.064 423 I HN 0.271 nan 8.210 nan 0.000 0.414 424 A N 0.362 123.221 122.820 0.065 0.000 1.933 424 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 424 A C 2.304 179.913 177.584 0.042 0.000 1.175 424 A CA 2.009 54.074 52.037 0.046 0.000 0.628 424 A CB -0.639 18.384 19.000 0.039 0.000 0.814 424 A HN 0.539 nan 8.150 nan 0.000 0.444 425 E N 0.192 120.421 120.200 0.049 0.000 2.106 425 E HA -0.259 4.091 4.350 -0.000 0.000 0.192 425 E C 2.104 178.719 176.600 0.025 0.000 0.984 425 E CA 1.306 57.727 56.400 0.035 0.000 0.806 425 E CB -0.216 29.505 29.700 0.035 0.000 0.750 425 E HN 0.885 nan 8.360 nan 0.000 0.458 426 Q N 0.077 119.898 119.800 0.035 0.000 2.451 426 Q HA 0.128 4.468 4.340 -0.000 0.000 0.206 426 Q C 0.861 176.875 176.000 0.023 0.000 0.947 426 Q CA 0.502 56.318 55.803 0.021 0.000 0.937 426 Q CB 0.223 28.977 28.738 0.028 0.000 1.025 426 Q HN 0.222 nan 8.270 nan 0.000 0.511 427 G N 1.199 110.016 108.800 0.028 0.000 2.877 427 G HA2 -0.173 3.786 3.960 -0.000 0.000 0.279 427 G HA3 -0.173 3.786 3.960 -0.000 0.000 0.279 427 G C -0.171 174.747 174.900 0.030 0.000 1.431 427 G CA -0.339 44.775 45.100 0.025 0.000 0.883 427 G HN 0.819 nan 8.290 nan 0.000 0.547 428 A N -0.656 122.179 122.820 0.025 0.000 2.466 428 A HA 0.613 4.933 4.320 -0.000 0.000 0.238 428 A C 0.591 178.192 177.584 0.027 0.000 1.074 428 A CA 0.541 52.594 52.037 0.026 0.000 0.774 428 A CB 0.169 19.181 19.000 0.020 0.000 1.015 428 A HN 1.370 nan 8.150 nan 0.000 0.498 429 L N 1.438 122.681 121.223 0.033 0.000 2.346 429 L HA 0.504 4.844 4.340 -0.000 0.000 0.274 429 L C 0.712 177.603 176.870 0.034 0.000 1.007 429 L CA -0.668 54.193 54.840 0.035 0.000 0.818 429 L CB 1.607 43.695 42.059 0.047 0.000 1.284 429 L HN 0.859 nan 8.230 nan 0.000 0.424 430 R N 1.066 121.584 120.500 0.030 0.000 2.643 430 R HA 0.075 4.415 4.340 -0.000 0.000 0.270 430 R C -0.598 175.727 176.300 0.042 0.000 1.061 430 R CA -0.557 55.560 56.100 0.029 0.000 1.107 430 R CB 0.567 30.879 30.300 0.020 0.000 0.999 430 R HN 0.510 nan 8.270 nan 0.000 0.460 431 D N 1.378 121.804 120.400 0.043 0.000 2.423 431 D HA 0.043 4.683 4.640 -0.000 0.000 0.238 431 D C -0.415 175.923 176.300 0.064 0.000 1.142 431 D CA 0.476 54.513 54.000 0.062 0.000 0.884 431 D CB 0.881 41.712 40.800 0.052 0.000 1.199 431 D HN 0.585 nan 8.370 nan 0.000 0.438 432 A N 1.835 124.714 122.820 0.099 0.000 2.409 432 A HA 0.380 4.700 4.320 -0.000 0.000 0.262 432 A C 0.755 178.358 177.584 0.032 0.000 1.113 432 A CA -0.475 51.592 52.037 0.050 0.000 0.790 432 A CB 0.130 19.141 19.000 0.018 0.000 1.046 432 A HN 0.519 nan 8.150 nan 0.000 0.496 433 S N 1.365 117.066 115.700 0.002 0.000 2.617 433 S HA 0.137 4.607 4.470 -0.000 0.000 0.259 433 S C 0.901 175.488 174.600 -0.022 0.000 1.301 433 S CA 0.310 58.509 58.200 -0.002 0.000 0.984 433 S CB 0.727 63.924 63.200 -0.006 0.000 0.954 433 S HN 0.784 nan 8.310 nan 0.000 0.572 434 E N 0.313 120.505 120.200 -0.013 0.000 2.204 434 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 434 E C 2.007 178.585 176.600 -0.038 0.000 0.989 434 E CA 1.225 57.611 56.400 -0.022 0.000 0.824 434 E CB -0.215 29.482 29.700 -0.005 0.000 0.756 434 E HN 0.842 nan 8.360 nan 0.000 0.477 435 S N 0.621 116.302 115.700 -0.031 0.000 2.406 435 S HA -0.129 4.340 4.470 -0.000 0.000 0.228 435 S C 1.491 176.062 174.600 -0.048 0.000 1.020 435 S CA 0.957 59.138 58.200 -0.032 0.000 0.965 435 S CB -0.110 63.077 63.200 -0.022 0.000 0.798 435 S HN 0.180 nan 8.310 nan 0.000 0.488 436 D N 1.719 122.083 120.400 -0.059 0.000 2.117 436 D HA -0.044 4.596 4.640 -0.000 0.000 0.197 436 D C 2.120 178.344 176.300 -0.126 0.000 0.987 436 D CA 1.083 55.036 54.000 -0.078 0.000 0.829 436 D CB -0.385 40.370 40.800 -0.075 0.000 0.961 436 D HN 0.349 nan 8.370 nan 0.000 0.460 437 V N 0.854 120.662 119.914 -0.176 0.000 2.323 437 V HA -0.170 3.950 4.120 -0.000 0.000 0.244 437 V C 2.409 178.428 176.094 -0.126 0.000 1.041 437 V CA 1.265 63.416 62.300 -0.249 0.000 1.025 437 V CB -0.410 31.221 31.823 -0.320 0.000 0.656 437 V HN 0.028 nan 8.190 nan 0.000 0.451 438 E N 1.001 121.154 120.200 -0.078 0.000 2.147 438 E HA -0.263 4.087 4.350 -0.000 0.000 0.199 438 E C 2.126 178.709 176.600 -0.029 0.000 1.005 438 E CA 1.829 58.205 56.400 -0.039 0.000 0.810 438 E CB -0.570 29.113 29.700 -0.028 0.000 0.736 438 E HN 0.542 nan 8.360 nan 0.000 0.460 439 A N -0.451 122.345 122.820 -0.039 0.000 1.933 439 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 439 A C 2.428 180.003 177.584 -0.016 0.000 1.175 439 A CA 1.833 53.854 52.037 -0.026 0.000 0.628 439 A CB -0.622 18.358 19.000 -0.032 0.000 0.814 439 A HN 0.261 nan 8.150 nan 0.000 0.444 440 S N -0.375 115.308 115.700 -0.028 0.000 2.419 440 S HA -0.017 4.453 4.470 -0.000 0.000 0.233 440 S C 1.577 176.192 174.600 0.025 0.000 1.016 440 S CA 1.174 59.371 58.200 -0.006 0.000 0.974 440 S CB -0.320 62.864 63.200 -0.027 0.000 0.786 440 S HN 0.538 nan 8.310 nan 0.000 0.492 441 L N 0.802 122.036 121.223 0.019 0.000 2.492 441 L HA 0.032 4.372 4.340 -0.000 0.000 0.223 441 L C 1.701 178.598 176.870 0.046 0.000 1.132 441 L CA 0.294 55.158 54.840 0.041 0.000 0.850 441 L CB -0.462 41.615 42.059 0.031 0.000 0.966 441 L HN 0.109 nan 8.230 nan 0.000 0.454 442 D N 0.731 121.150 120.400 0.031 0.000 2.116 442 D HA -0.232 4.408 4.640 -0.000 0.000 0.193 442 D C 2.185 178.513 176.300 0.048 0.000 0.998 442 D CA 1.220 55.236 54.000 0.026 0.000 0.836 442 D CB -0.002 40.803 40.800 0.009 0.000 0.951 442 D HN 0.173 nan 8.370 nan 0.000 0.449 443 R N 0.066 120.610 120.500 0.073 0.000 2.080 443 R HA -0.161 4.179 4.340 -0.000 0.000 0.236 443 R C 2.367 178.796 176.300 0.216 0.000 1.137 443 R CA 1.230 57.406 56.100 0.126 0.000 0.943 443 R CB -0.531 29.856 30.300 0.146 0.000 0.846 443 R HN 0.203 nan 8.270 nan 0.000 0.431 444 L N 1.366 122.702 121.223 0.190 0.000 2.046 444 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 444 L C 1.524 178.501 176.870 0.179 0.000 1.077 444 L CA 1.853 56.815 54.840 0.202 0.000 0.747 444 L CB -0.592 41.543 42.059 0.127 0.000 0.896 444 L HN 0.221 nan 8.230 nan 0.000 0.432 445 N N 0.043 118.809 118.700 0.110 0.000 2.149 445 N HA -0.226 4.514 4.740 -0.000 0.000 0.188 445 N C 1.966 177.513 175.510 0.061 0.000 1.019 445 N CA 1.350 54.444 53.050 0.073 0.000 0.857 445 N CB -0.469 38.042 38.487 0.040 0.000 0.997 445 N HN 0.435 nan 8.380 nan 0.000 0.426 446 R N -0.183 120.341 120.500 0.039 0.000 2.083 446 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 446 R C 1.819 178.077 176.300 -0.069 0.000 1.137 446 R CA 1.447 57.511 56.100 -0.060 0.000 0.951 446 R CB -0.257 29.951 30.300 -0.155 0.000 0.851 446 R HN 0.288 nan 8.270 nan 0.000 0.434 447 W N 0.802 122.094 121.300 -0.013 0.000 2.436 447 W HA -0.024 4.636 4.660 -0.000 0.000 0.284 447 W C 1.894 178.402 176.519 -0.020 0.000 1.225 447 W CA 0.308 57.641 57.345 -0.019 0.000 1.271 447 W CB -0.210 29.234 29.460 -0.026 0.000 1.114 447 W HN 0.147 nan 8.180 nan 0.000 0.559 448 N N 0.005 118.830 118.700 0.209 0.000 2.512 448 N HA -0.097 4.643 4.740 -0.000 0.000 0.183 448 N C 0.929 176.480 175.510 0.070 0.000 1.073 448 N CA 0.884 54.004 53.050 0.115 0.000 0.911 448 N CB -0.328 38.208 38.487 0.081 0.000 0.964 448 N HN 0.316 nan 8.380 nan 0.000 0.447 449 N N -0.010 118.720 118.700 0.051 0.000 2.348 449 N HA -0.037 4.703 4.740 -0.000 0.000 0.183 449 N C 0.022 175.533 175.510 0.001 0.000 1.094 449 N CA 0.031 53.091 53.050 0.017 0.000 0.885 449 N CB 0.110 38.597 38.487 0.000 0.000 1.065 449 N HN 0.091 nan 8.380 nan 0.000 0.472 450 N N 2.281 120.976 118.700 -0.007 0.000 2.508 450 N HA 0.073 4.813 4.740 -0.000 0.000 0.253 450 N C 0.561 176.076 175.510 0.008 0.000 1.145 450 N CA 0.014 53.043 53.050 -0.035 0.000 0.973 450 N CB 0.480 38.892 38.487 -0.124 0.000 1.305 450 N HN -0.009 nan 8.380 nan 0.000 0.506 451 R N 2.033 122.537 120.500 0.006 0.000 2.223 451 R HA 0.173 4.513 4.340 -0.000 0.000 0.198 451 R C 0.334 176.641 176.300 0.012 0.000 0.984 451 R CA 0.408 56.519 56.100 0.018 0.000 1.018 451 R CB 0.244 30.552 30.300 0.014 0.000 0.945 451 R HN 0.509 nan 8.270 nan 0.000 0.479 452 N N -0.196 118.503 118.700 -0.002 0.000 2.197 452 N HA 0.065 4.805 4.740 -0.000 0.000 0.201 452 N C 0.883 176.387 175.510 -0.011 0.000 1.148 452 N CA 0.244 53.291 53.050 -0.005 0.000 0.883 452 N CB 0.869 39.351 38.487 -0.009 0.000 1.012 452 N HN 0.095 nan 8.380 nan 0.000 0.507 453 G N 0.548 109.334 108.800 -0.023 0.000 2.441 453 G HA2 0.042 4.002 3.960 -0.000 0.000 0.258 453 G HA3 0.042 4.002 3.960 -0.000 0.000 0.258 453 G C 0.122 175.012 174.900 -0.017 0.000 1.487 453 G CA -0.276 44.801 45.100 -0.038 0.000 1.058 453 G HN 0.068 nan 8.290 nan 0.000 0.552 454 E N 0.165 120.350 120.200 -0.024 0.000 2.343 454 E HA 0.112 4.462 4.350 -0.000 0.000 0.269 454 E C -0.834 175.788 176.600 0.037 0.000 1.047 454 E CA -0.382 56.019 56.400 0.002 0.000 0.874 454 E CB 1.228 30.924 29.700 -0.007 0.000 1.033 454 E HN 0.376 nan 8.360 nan 0.000 0.409 455 D N 3.089 123.513 120.400 0.041 0.000 2.382 455 D HA 0.007 4.647 4.640 -0.000 0.000 0.259 455 D C -1.566 174.780 176.300 0.076 0.000 1.224 455 D CA -1.781 52.253 54.000 0.058 0.000 0.894 455 D CB 0.914 41.737 40.800 0.039 0.000 1.127 455 D HN 0.078 nan 8.370 nan 0.000 0.487 456 P HA -0.128 nan 4.420 nan 0.000 0.223 456 P C 1.554 178.901 177.300 0.078 0.000 1.151 456 P CA 0.290 63.476 63.100 0.144 0.000 0.787 456 P CB 0.251 32.083 31.700 0.219 0.000 0.788 457 V N 1.234 121.179 119.914 0.052 0.000 2.282 457 V HA -0.286 3.834 4.120 -0.000 0.000 0.249 457 V C 2.767 178.879 176.094 0.031 0.000 1.057 457 V CA 2.524 64.843 62.300 0.032 0.000 1.032 457 V CB -1.773 30.065 31.823 0.024 0.000 0.645 457 V HN 0.142 nan 8.190 nan 0.000 0.447 458 A N -0.464 122.375 122.820 0.031 0.000 1.930 458 A HA -0.104 4.216 4.320 -0.000 0.000 0.217 458 A C 2.179 179.776 177.584 0.023 0.000 1.175 458 A CA 1.629 53.680 52.037 0.024 0.000 0.627 458 A CB -0.510 18.503 19.000 0.021 0.000 0.815 458 A HN 0.517 nan 8.150 nan 0.000 0.443 459 I N -0.815 119.776 120.570 0.034 0.000 2.226 459 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 459 I C 2.720 178.853 176.117 0.028 0.000 1.100 459 I CA 1.757 63.078 61.300 0.035 0.000 1.374 459 I CB -0.333 37.702 38.000 0.059 0.000 1.057 459 I HN 0.411 nan 8.210 nan 0.000 0.413 460 R N 1.649 122.168 120.500 0.032 0.000 2.070 460 R HA -0.189 4.151 4.340 -0.000 0.000 0.233 460 R C 2.279 178.580 176.300 0.002 0.000 1.137 460 R CA 1.622 57.733 56.100 0.018 0.000 0.945 460 R CB -0.101 30.212 30.300 0.022 0.000 0.845 460 R HN 0.250 nan 8.270 nan 0.000 0.430 461 K N 0.005 120.410 120.400 0.007 0.000 2.097 461 K HA -0.114 4.206 4.320 -0.000 0.000 0.206 461 K C 2.127 178.715 176.600 -0.020 0.000 1.049 461 K CA 1.324 57.611 56.287 0.000 0.000 0.933 461 K CB -0.151 32.355 32.500 0.010 0.000 0.717 461 K HN 0.274 nan 8.250 nan 0.000 0.442 462 A N 1.831 124.641 122.820 -0.017 0.000 1.877 462 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 462 A C 2.154 179.709 177.584 -0.048 0.000 1.186 462 A CA 1.225 53.243 52.037 -0.031 0.000 0.620 462 A CB -0.695 18.298 19.000 -0.012 0.000 0.822 462 A HN 0.294 nan 8.150 nan 0.000 0.443 463 L N -0.590 120.611 121.223 -0.037 0.000 1.955 463 L HA -0.309 4.031 4.340 -0.000 0.000 0.213 463 L C 2.835 179.646 176.870 -0.099 0.000 1.072 463 L CA 2.319 57.127 54.840 -0.055 0.000 0.755 463 L CB -0.507 41.527 42.059 -0.042 0.000 0.888 463 L HN 0.505 nan 8.230 nan 0.000 0.432 464 Q N -0.626 119.120 119.800 -0.091 0.000 2.096 464 Q HA -0.313 4.027 4.340 -0.000 0.000 0.204 464 Q C 2.106 178.048 176.000 -0.096 0.000 0.982 464 Q CA 2.173 57.913 55.803 -0.104 0.000 0.850 464 Q CB -0.260 28.453 28.738 -0.041 0.000 0.901 464 Q HN 0.609 nan 8.270 nan 0.000 0.422 465 E N 0.220 120.355 120.200 -0.109 0.000 2.051 465 E HA -0.241 4.109 4.350 -0.000 0.000 0.192 465 E C 2.172 178.584 176.600 -0.313 0.000 0.991 465 E CA 1.328 57.598 56.400 -0.216 0.000 0.799 465 E CB -0.207 29.348 29.700 -0.241 0.000 0.748 465 E HN 0.451 nan 8.360 nan 0.000 0.449 466 C N 0.781 119.965 119.300 -0.194 0.000 2.413 466 C HA -0.156 4.304 4.460 -0.000 0.000 0.276 466 C C 2.669 177.667 174.990 0.014 0.000 1.248 466 C CA 1.040 60.000 59.018 -0.098 0.000 1.742 466 C CB -0.844 26.882 27.740 -0.024 0.000 2.017 466 C HN 0.516 nan 8.230 nan 0.000 0.481 467 M N 0.198 119.767 119.600 -0.052 0.000 2.132 467 M HA -0.083 4.397 4.480 -0.000 0.000 0.263 467 M C 2.148 178.492 176.300 0.075 0.000 1.065 467 M CA 1.650 56.898 55.300 -0.086 0.000 1.122 467 M CB -1.836 30.349 32.600 -0.691 0.000 1.365 467 M HN 0.468 nan 8.290 nan 0.000 0.411 468 Q N 0.000 119.870 119.800 0.116 0.000 2.096 468 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 468 Q C 1.931 178.143 176.000 0.354 0.000 0.982 468 Q CA 1.897 57.906 55.803 0.343 0.000 0.850 468 Q CB -0.284 28.648 28.738 0.322 0.000 0.901 468 Q HN 0.661 nan 8.270 nan 0.000 0.422 469 H N -1.373 117.744 119.070 0.079 0.000 2.343 469 H HA 0.060 4.616 4.556 -0.000 0.000 0.303 469 H C 1.222 176.538 175.328 -0.020 0.000 1.068 469 H CA 0.913 56.980 56.048 0.033 0.000 1.359 469 H CB 0.344 30.116 29.762 0.016 0.000 1.402 469 H HN 0.291 nan 8.280 nan 0.000 0.515 470 N N 0.069 118.800 118.700 0.052 0.000 2.388 470 N HA -0.013 4.727 4.740 -0.000 0.000 0.176 470 N C 0.001 175.171 175.510 -0.566 0.000 1.062 470 N CA 0.558 53.428 53.050 -0.300 0.000 0.895 470 N CB 0.516 38.715 38.487 -0.480 0.000 1.018 470 N HN 0.204 nan 8.380 nan 0.000 0.456 471 F N -0.003 120.015 119.950 0.115 0.000 2.814 471 F HA 0.362 4.889 4.527 -0.000 0.000 0.326 471 F C 1.167 177.120 175.800 0.255 0.000 1.159 471 F CA -0.515 57.579 58.000 0.156 0.000 1.234 471 F CB 0.220 39.279 39.000 0.099 0.000 1.016 471 F HN -0.236 nan 8.300 nan 0.000 0.510 472 S N -0.233 115.594 115.700 0.212 0.000 2.423 472 S HA 0.148 4.618 4.470 -0.000 0.000 0.244 472 S C 1.886 176.213 174.600 -0.455 0.000 1.267 472 S CA 0.009 58.150 58.200 -0.099 0.000 0.988 472 S CB 0.358 63.495 63.200 -0.106 0.000 0.978 472 S HN -0.006 nan 8.310 nan 0.000 0.506 473 V N 0.441 119.853 119.914 -0.836 0.000 2.252 473 V HA -0.074 4.046 4.120 -0.000 0.000 0.249 473 V C 0.708 176.409 176.094 -0.655 0.000 1.056 473 V CA 1.561 63.384 62.300 -0.796 0.000 1.022 473 V CB -0.886 30.465 31.823 -0.787 0.000 0.641 473 V HN 0.538 nan 8.190 nan 0.000 0.445 474 F N -0.449 119.352 119.950 -0.248 0.000 2.458 474 F HA 0.735 5.262 4.527 -0.000 0.000 0.330 474 F C 0.408 176.066 175.800 -0.236 0.000 1.082 474 F CA -0.822 56.982 58.000 -0.326 0.000 0.995 474 F CB 1.262 40.079 39.000 -0.304 0.000 1.170 474 F HN -0.106 nan 8.300 nan 0.000 0.478 475 R N 0.952 121.386 120.500 -0.111 0.000 2.698 475 R HA 0.490 4.830 4.340 -0.000 0.000 0.275 475 R C -1.409 174.887 176.300 -0.008 0.000 1.001 475 R CA -1.123 54.949 56.100 -0.047 0.000 0.896 475 R CB 2.849 33.135 30.300 -0.022 0.000 1.218 475 R HN 0.745 nan 8.270 nan 0.000 0.462 476 E N 0.419 120.656 120.200 0.062 0.000 2.317 476 E HA 0.321 4.671 4.350 -0.000 0.000 0.270 476 E C 0.077 176.721 176.600 0.073 0.000 0.885 476 E CA -1.018 55.455 56.400 0.122 0.000 0.760 476 E CB 1.977 31.790 29.700 0.188 0.000 1.227 476 E HN 0.590 nan 8.360 nan 0.000 0.434 477 G N 2.577 111.447 108.800 0.117 0.000 2.469 477 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.220 477 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.220 477 G C 0.760 175.704 174.900 0.072 0.000 1.136 477 G CA 1.285 46.456 45.100 0.118 0.000 0.759 477 G HN 0.585 nan 8.290 nan 0.000 0.562 478 D N 0.974 121.408 120.400 0.057 0.000 2.087 478 D HA -0.046 4.594 4.640 -0.000 0.000 0.192 478 D C 2.863 179.168 176.300 0.007 0.000 0.993 478 D CA 1.549 55.570 54.000 0.034 0.000 0.828 478 D CB -0.702 40.114 40.800 0.027 0.000 0.968 478 D HN 0.292 nan 8.370 nan 0.000 0.448 479 A N 0.432 123.242 122.820 -0.017 0.000 1.972 479 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 479 A C 2.263 179.753 177.584 -0.156 0.000 1.169 479 A CA 1.326 53.322 52.037 -0.067 0.000 0.635 479 A CB -0.518 18.439 19.000 -0.072 0.000 0.810 479 A HN 0.172 nan 8.150 nan 0.000 0.446 480 M N -0.817 118.681 119.600 -0.171 0.000 2.175 480 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 480 M C 2.562 178.868 176.300 0.010 0.000 1.063 480 M CA 1.297 56.460 55.300 -0.229 0.000 1.119 480 M CB -0.445 32.111 32.600 -0.073 0.000 1.377 480 M HN 0.492 nan 8.290 nan 0.000 0.415 481 A N 0.644 123.488 122.820 0.040 0.000 1.902 481 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 481 A C 2.102 179.723 177.584 0.061 0.000 1.181 481 A CA 1.741 53.821 52.037 0.070 0.000 0.623 481 A CB -0.462 18.579 19.000 0.068 0.000 0.818 481 A HN 0.362 nan 8.150 nan 0.000 0.443 482 K N -0.648 119.772 120.400 0.034 0.000 2.097 482 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 482 K C 2.052 178.680 176.600 0.045 0.000 1.050 482 K CA 1.075 57.382 56.287 0.034 0.000 0.938 482 K CB -0.428 32.083 32.500 0.018 0.000 0.718 482 K HN 0.463 nan 8.250 nan 0.000 0.442 483 G N 1.079 109.896 108.800 0.028 0.000 2.418 483 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 483 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 483 G C 1.371 176.393 174.900 0.204 0.000 1.158 483 G CA 0.562 45.718 45.100 0.095 0.000 0.771 483 G HN 0.180 nan 8.290 nan 0.000 0.545 484 L N 0.503 121.852 121.223 0.210 0.000 2.093 484 L HA 0.062 4.402 4.340 -0.000 0.000 0.208 484 L C 2.511 179.444 176.870 0.105 0.000 1.085 484 L CA 1.672 56.592 54.840 0.134 0.000 0.755 484 L CB -0.372 41.746 42.059 0.098 0.000 0.904 484 L HN 0.063 nan 8.230 nan 0.000 0.435 485 E N -0.195 120.062 120.200 0.096 0.000 2.051 485 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 485 E C 2.203 178.852 176.600 0.082 0.000 0.991 485 E CA 1.406 57.856 56.400 0.085 0.000 0.799 485 E CB -0.305 29.435 29.700 0.066 0.000 0.748 485 E HN 0.651 nan 8.360 nan 0.000 0.449 486 Q N 0.077 119.923 119.800 0.076 0.000 2.124 486 Q HA -0.038 4.302 4.340 -0.000 0.000 0.202 486 Q C 2.415 178.459 176.000 0.074 0.000 0.977 486 Q CA 0.808 56.648 55.803 0.062 0.000 0.850 486 Q CB -0.090 28.677 28.738 0.049 0.000 0.901 486 Q HN 0.235 nan 8.270 nan 0.000 0.429 487 L N 0.520 121.804 121.223 0.101 0.000 2.083 487 L HA -0.206 4.133 4.340 -0.000 0.000 0.209 487 L C 2.213 179.182 176.870 0.166 0.000 1.083 487 L CA 1.211 56.127 54.840 0.127 0.000 0.752 487 L CB -0.305 41.837 42.059 0.137 0.000 0.899 487 L HN 0.190 nan 8.230 nan 0.000 0.433 488 K N -0.466 120.047 120.400 0.189 0.000 2.103 488 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 488 K C 2.003 178.648 176.600 0.075 0.000 1.048 488 K CA 1.222 57.604 56.287 0.158 0.000 0.930 488 K CB -0.193 32.404 32.500 0.161 0.000 0.716 488 K HN 0.140 nan 8.250 nan 0.000 0.444 489 V N 1.761 121.714 119.914 0.064 0.000 2.261 489 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 489 V C 2.181 178.291 176.094 0.026 0.000 1.047 489 V CA 1.713 64.035 62.300 0.037 0.000 1.015 489 V CB -0.389 31.455 31.823 0.035 0.000 0.642 489 V HN 0.255 nan 8.190 nan 0.000 0.446 490 I N -0.366 120.224 120.570 0.033 0.000 2.286 490 I HA -0.214 3.956 4.170 -0.000 0.000 0.248 490 I C 2.710 178.835 176.117 0.014 0.000 1.115 490 I CA 1.499 62.813 61.300 0.023 0.000 1.392 490 I CB -0.489 37.526 38.000 0.025 0.000 1.065 490 I HN 0.192 nan 8.210 nan 0.000 0.418 491 R N 0.902 121.411 120.500 0.015 0.000 2.148 491 R HA -0.163 4.177 4.340 -0.000 0.000 0.227 491 R C 2.031 178.308 176.300 -0.038 0.000 1.103 491 R CA 1.202 57.291 56.100 -0.019 0.000 0.983 491 R CB 0.041 30.307 30.300 -0.057 0.000 0.874 491 R HN 0.284 nan 8.270 nan 0.000 0.451 492 E N 0.700 120.885 120.200 -0.025 0.000 2.047 492 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 492 E C 2.063 178.637 176.600 -0.043 0.000 0.987 492 E CA 1.105 57.484 56.400 -0.034 0.000 0.799 492 E CB -0.161 29.529 29.700 -0.018 0.000 0.752 492 E HN 0.350 nan 8.360 nan 0.000 0.449 493 R N 0.300 120.783 120.500 -0.028 0.000 2.105 493 R HA -0.130 4.210 4.340 -0.000 0.000 0.239 493 R C 2.381 178.649 176.300 -0.054 0.000 1.135 493 R CA 0.949 57.030 56.100 -0.031 0.000 0.967 493 R CB -0.382 29.912 30.300 -0.010 0.000 0.861 493 R HN 0.082 nan 8.270 nan 0.000 0.442 494 L N 1.422 122.617 121.223 -0.047 0.000 2.156 494 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 494 L C 1.518 178.280 176.870 -0.181 0.000 1.095 494 L CA 1.748 56.550 54.840 -0.064 0.000 0.770 494 L CB -0.131 41.933 42.059 0.009 0.000 0.914 494 L HN -0.074 nan 8.230 nan 0.000 0.439 495 K N -0.577 119.732 120.400 -0.152 0.000 2.360 495 K HA -0.124 4.196 4.320 -0.000 0.000 0.201 495 K C 0.792 177.250 176.600 -0.236 0.000 1.046 495 K CA 1.099 57.271 56.287 -0.190 0.000 0.945 495 K CB -0.124 32.301 32.500 -0.125 0.000 0.750 495 K HN 0.291 nan 8.250 nan 0.000 0.464 496 N N -0.022 118.553 118.700 -0.207 0.000 2.351 496 N HA 0.131 4.871 4.740 -0.000 0.000 0.254 496 N C -1.340 174.047 175.510 -0.206 0.000 1.241 496 N CA -0.257 52.680 53.050 -0.189 0.000 0.883 496 N CB 0.715 39.134 38.487 -0.113 0.000 1.202 496 N HN 0.035 nan 8.380 nan 0.000 0.512 497 A N 0.845 123.467 122.820 -0.329 0.000 2.327 497 A HA 0.566 4.886 4.320 -0.000 0.000 0.283 497 A C 0.207 177.630 177.584 -0.268 0.000 1.127 497 A CA -0.660 51.224 52.037 -0.255 0.000 0.810 497 A CB 0.369 19.261 19.000 -0.180 0.000 1.066 497 A HN 0.531 nan 8.150 nan 0.000 0.492 498 R N 1.651 122.158 120.500 0.013 0.000 2.368 498 R HA 0.606 4.946 4.340 -0.000 0.000 0.302 498 R C -1.085 175.397 176.300 0.305 0.000 1.002 498 R CA -0.682 55.477 56.100 0.098 0.000 0.929 498 R CB 0.831 31.165 30.300 0.057 0.000 1.073 498 R HN 0.466 nan 8.270 nan 0.000 0.464 499 L N 3.335 124.761 121.223 0.338 0.000 2.261 499 L HA 0.241 4.581 4.340 -0.000 0.000 0.289 499 L C -0.103 176.843 176.870 0.126 0.000 1.059 499 L CA 0.200 55.208 54.840 0.279 0.000 0.816 499 L CB 1.149 43.391 42.059 0.305 0.000 1.191 499 L HN 0.745 nan 8.230 nan 0.000 0.431 500 D N 1.440 121.888 120.400 0.078 0.000 2.249 500 D HA -0.020 4.620 4.640 -0.000 0.000 0.205 500 D C -0.216 176.099 176.300 0.024 0.000 0.962 500 D CA 0.737 54.764 54.000 0.045 0.000 0.860 500 D CB 0.310 41.131 40.800 0.035 0.000 0.955 500 D HN 0.616 nan 8.370 nan 0.000 0.505 501 D N -0.690 119.715 120.400 0.009 0.000 2.233 501 D HA 0.088 4.728 4.640 -0.000 0.000 0.240 501 D C 0.534 176.834 176.300 -0.001 0.000 1.074 501 D CA 0.015 54.014 54.000 -0.002 0.000 0.838 501 D CB 1.672 42.461 40.800 -0.018 0.000 1.124 501 D HN -0.218 nan 8.370 nan 0.000 0.475 502 T N 1.223 115.780 114.554 0.005 0.000 3.022 502 T HA 0.077 4.427 4.350 -0.000 0.000 0.250 502 T C 0.710 175.410 174.700 -0.001 0.000 1.060 502 T CA 0.288 62.392 62.100 0.008 0.000 1.013 502 T CB -0.081 68.796 68.868 0.014 0.000 0.982 502 T HN 0.483 nan 8.240 nan 0.000 0.508 503 S N 0.893 116.591 115.700 -0.004 0.000 2.587 503 S HA 0.192 4.662 4.470 -0.000 0.000 0.260 503 S C 1.369 175.960 174.600 -0.015 0.000 1.353 503 S CA 0.104 58.302 58.200 -0.004 0.000 0.995 503 S CB 1.076 64.278 63.200 0.003 0.000 0.912 503 S HN 0.422 nan 8.310 nan 0.000 0.568 504 S N -1.234 114.460 115.700 -0.010 0.000 2.575 504 S HA 0.201 4.671 4.470 -0.000 0.000 0.230 504 S C 0.294 174.885 174.600 -0.016 0.000 1.062 504 S CA -0.141 58.044 58.200 -0.024 0.000 0.913 504 S CB -0.493 62.696 63.200 -0.018 0.000 0.837 504 S HN 0.741 nan 8.310 nan 0.000 0.487 505 E N 1.816 122.026 120.200 0.017 0.000 1.858 505 E HA 0.351 4.701 4.350 -0.000 0.000 0.267 505 E C -0.820 175.865 176.600 0.141 0.000 1.215 505 E CA -0.537 55.899 56.400 0.059 0.000 0.952 505 E CB -1.177 28.554 29.700 0.051 0.000 1.058 505 E HN 0.297 nan 8.360 nan 0.000 0.407 506 F N 3.292 123.205 119.950 -0.062 0.000 2.807 506 F HA -0.279 4.247 4.527 -0.000 0.000 0.297 506 F C -0.415 175.345 175.800 -0.066 0.000 1.024 506 F CA 0.316 58.277 58.000 -0.065 0.000 1.008 506 F CB -0.445 38.525 39.000 -0.049 0.000 1.142 506 F HN 0.455 nan 8.300 nan 0.000 0.829 507 N N 1.714 120.369 118.700 -0.075 0.000 2.602 507 N HA 0.139 4.879 4.740 -0.000 0.000 0.238 507 N C 1.229 176.646 175.510 -0.154 0.000 1.084 507 N CA 0.485 53.491 53.050 -0.072 0.000 0.952 507 N CB 0.780 39.215 38.487 -0.085 0.000 1.244 507 N HN 0.427 nan 8.380 nan 0.000 0.512 508 T N 0.275 114.777 114.554 -0.087 0.000 3.007 508 T HA -0.163 4.187 4.350 -0.000 0.000 0.270 508 T C 1.452 176.055 174.700 -0.162 0.000 1.107 508 T CA 0.853 62.874 62.100 -0.131 0.000 1.118 508 T CB 0.088 68.947 68.868 -0.015 0.000 0.889 508 T HN 0.354 nan 8.240 nan 0.000 0.506 509 Q N 1.791 121.510 119.800 -0.135 0.000 2.079 509 Q HA 0.009 4.349 4.340 -0.000 0.000 0.200 509 Q C 2.453 178.301 176.000 -0.252 0.000 0.974 509 Q CA 1.530 57.239 55.803 -0.156 0.000 0.840 509 Q CB -0.404 28.275 28.738 -0.098 0.000 0.898 509 Q HN 0.621 nan 8.270 nan 0.000 0.430 510 R N -0.732 119.615 120.500 -0.255 0.000 2.083 510 R HA -0.139 4.201 4.340 -0.000 0.000 0.237 510 R C 2.042 178.050 176.300 -0.486 0.000 1.137 510 R CA 1.762 57.660 56.100 -0.337 0.000 0.951 510 R CB -0.432 29.722 30.300 -0.244 0.000 0.851 510 R HN 0.254 nan 8.270 nan 0.000 0.434 511 V N 1.484 121.110 119.914 -0.480 0.000 2.252 511 V HA -0.279 3.841 4.120 -0.000 0.000 0.249 511 V C 2.076 177.828 176.094 -0.571 0.000 1.056 511 V CA 2.312 64.215 62.300 -0.663 0.000 1.022 511 V CB -0.560 30.939 31.823 -0.540 0.000 0.641 511 V HN 0.465 nan 8.190 nan 0.000 0.445 512 E N -1.236 118.730 120.200 -0.390 0.000 2.268 512 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 512 E C 2.182 178.569 176.600 -0.355 0.000 0.995 512 E CA 1.319 57.547 56.400 -0.286 0.000 0.836 512 E CB -0.232 29.352 29.700 -0.192 0.000 0.763 512 E HN 0.638 nan 8.360 nan 0.000 0.491 513 C N 0.295 119.254 119.300 -0.567 0.000 2.489 513 C HA -0.050 4.410 4.460 -0.000 0.000 0.279 513 C C 2.530 176.964 174.990 -0.926 0.000 1.266 513 C CA 0.276 58.705 59.018 -0.982 0.000 1.707 513 C CB -0.803 25.976 27.740 -1.602 0.000 2.059 513 C HN 0.400 nan 8.230 nan 0.000 0.481 514 L N 0.771 121.508 121.223 -0.809 0.000 2.079 514 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 514 L C 2.567 179.367 176.870 -0.115 0.000 1.081 514 L CA 1.618 56.208 54.840 -0.416 0.000 0.752 514 L CB -0.770 41.059 42.059 -0.383 0.000 0.896 514 L HN 0.463 nan 8.230 nan 0.000 0.433 515 E N -0.111 119.993 120.200 -0.160 0.000 2.085 515 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 515 E C 2.143 178.750 176.600 0.012 0.000 0.994 515 E CA 1.205 57.608 56.400 0.005 0.000 0.801 515 E CB -0.227 29.455 29.700 -0.029 0.000 0.743 515 E HN 0.248 nan 8.360 nan 0.000 0.453 516 L N 1.822 123.023 121.223 -0.037 0.000 2.043 516 L HA -0.226 4.114 4.340 -0.000 0.000 0.212 516 L C 1.544 178.475 176.870 0.101 0.000 1.075 516 L CA 1.896 56.755 54.840 0.033 0.000 0.752 516 L CB -0.439 41.648 42.059 0.047 0.000 0.891 516 L HN 0.019 nan 8.230 nan 0.000 0.432 517 D N -0.519 119.976 120.400 0.157 0.000 2.158 517 D HA -0.184 4.456 4.640 -0.000 0.000 0.197 517 D C 1.869 178.235 176.300 0.109 0.000 0.995 517 D CA 1.235 55.342 54.000 0.179 0.000 0.846 517 D CB -0.213 40.734 40.800 0.244 0.000 0.941 517 D HN 0.435 nan 8.370 nan 0.000 0.456 518 N N 0.237 118.996 118.700 0.097 0.000 2.216 518 N HA -0.028 4.712 4.740 -0.000 0.000 0.183 518 N C 2.145 177.688 175.510 0.055 0.000 1.017 518 N CA 0.189 53.285 53.050 0.076 0.000 0.861 518 N CB -0.338 38.200 38.487 0.085 0.000 0.986 518 N HN 0.237 nan 8.380 nan 0.000 0.428 519 L N 0.230 121.480 121.223 0.046 0.000 2.043 519 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 519 L C 2.374 179.248 176.870 0.007 0.000 1.075 519 L CA 1.055 55.906 54.840 0.017 0.000 0.752 519 L CB -0.308 41.755 42.059 0.007 0.000 0.891 519 L HN 0.143 nan 8.230 nan 0.000 0.432 520 M N -0.107 119.511 119.600 0.029 0.000 2.066 520 M HA -0.192 4.288 4.480 -0.000 0.000 0.259 520 M C 2.233 178.554 176.300 0.034 0.000 1.074 520 M CA 1.812 57.128 55.300 0.027 0.000 1.114 520 M CB -0.453 32.167 32.600 0.035 0.000 1.306 520 M HN 0.072 nan 8.290 nan 0.000 0.411 521 E N -0.762 119.458 120.200 0.034 0.000 2.118 521 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 521 E C 1.992 178.616 176.600 0.040 0.000 0.992 521 E CA 1.970 58.396 56.400 0.044 0.000 0.804 521 E CB -0.910 28.822 29.700 0.053 0.000 0.741 521 E HN 0.587 nan 8.360 nan 0.000 0.458 522 T N 1.371 115.944 114.554 0.033 0.000 2.737 522 T HA -0.058 4.292 4.350 -0.000 0.000 0.265 522 T C 2.054 176.745 174.700 -0.015 0.000 1.038 522 T CA 1.440 63.563 62.100 0.039 0.000 1.144 522 T CB -0.223 68.695 68.868 0.084 0.000 0.866 522 T HN 0.290 nan 8.240 nan 0.000 0.434 523 A N 0.509 123.286 122.820 -0.071 0.000 1.902 523 A HA -0.081 4.239 4.320 -0.000 0.000 0.217 523 A C 2.106 179.561 177.584 -0.216 0.000 1.181 523 A CA 1.417 53.338 52.037 -0.193 0.000 0.623 523 A CB -1.072 17.817 19.000 -0.184 0.000 0.818 523 A HN 0.538 nan 8.150 nan 0.000 0.443 524 Y N 0.504 120.666 120.300 -0.229 0.000 2.097 524 Y HA -0.155 4.395 4.550 -0.000 0.000 0.282 524 Y C 2.776 178.434 175.900 -0.402 0.000 1.152 524 Y CA 1.617 59.565 58.100 -0.254 0.000 1.136 524 Y CB -0.549 37.809 38.460 -0.169 0.000 0.975 524 Y HN 0.317 nan 8.280 nan 0.000 0.498 525 A N -0.927 121.685 122.820 -0.346 0.000 1.908 525 A HA -0.230 4.089 4.320 -0.000 0.000 0.218 525 A C 2.228 179.567 177.584 -0.408 0.000 1.181 525 A CA 2.408 54.044 52.037 -0.668 0.000 0.627 525 A CB -1.372 17.367 19.000 -0.434 0.000 0.818 525 A HN 0.526 nan 8.150 nan 0.000 0.445 526 T N 0.169 114.578 114.554 -0.242 0.000 2.708 526 T HA -0.029 4.321 4.350 -0.000 0.000 0.266 526 T C 2.238 176.698 174.700 -0.399 0.000 1.037 526 T CA 1.706 63.708 62.100 -0.163 0.000 1.146 526 T CB -0.461 68.392 68.868 -0.024 0.000 0.865 526 T HN 0.617 nan 8.240 nan 0.000 0.435 527 A N 0.916 123.332 122.820 -0.674 0.000 1.873 527 A HA -0.032 4.288 4.320 -0.000 0.000 0.215 527 A C 2.584 179.964 177.584 -0.340 0.000 1.186 527 A CA 1.332 52.860 52.037 -0.848 0.000 0.616 527 A CB -1.000 17.520 19.000 -0.801 0.000 0.823 527 A HN 0.349 nan 8.150 nan 0.000 0.442 528 V N -0.078 119.581 119.914 -0.424 0.000 2.407 528 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 528 V C 2.772 178.831 176.094 -0.057 0.000 1.055 528 V CA 2.243 64.397 62.300 -0.243 0.000 1.049 528 V CB -0.787 30.855 31.823 -0.301 0.000 0.662 528 V HN 0.549 nan 8.190 nan 0.000 0.455 529 S N 0.343 115.985 115.700 -0.098 0.000 2.343 529 S HA -0.154 4.316 4.470 -0.000 0.000 0.219 529 S C 2.267 176.887 174.600 0.034 0.000 1.033 529 S CA 1.457 59.664 58.200 0.013 0.000 1.014 529 S CB -0.577 62.608 63.200 -0.025 0.000 0.915 529 S HN 0.643 nan 8.310 nan 0.000 0.435 530 A N 2.349 125.173 122.820 0.007 0.000 1.978 530 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 530 A C 1.928 179.626 177.584 0.190 0.000 1.170 530 A CA 1.444 53.533 52.037 0.085 0.000 0.636 530 A CB -0.695 18.520 19.000 0.357 0.000 0.810 530 A HN 0.490 nan 8.150 nan 0.000 0.448 531 N N -1.321 117.497 118.700 0.197 0.000 2.142 531 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 531 N C 1.584 177.165 175.510 0.120 0.000 1.023 531 N CA 1.603 54.755 53.050 0.169 0.000 0.852 531 N CB -0.352 38.238 38.487 0.171 0.000 0.998 531 N HN 0.540 nan 8.380 nan 0.000 0.424 532 F N 2.127 122.066 119.950 -0.018 0.000 2.102 532 F HA -0.043 4.484 4.527 -0.000 0.000 0.298 532 F C 1.272 176.938 175.800 -0.224 0.000 1.105 532 F CA 0.922 58.914 58.000 -0.012 0.000 1.239 532 F CB -0.154 38.887 39.000 0.068 0.000 0.991 532 F HN -0.197 nan 8.300 nan 0.000 0.474 533 R N 1.366 121.575 120.500 -0.484 0.000 2.309 533 R HA 0.086 4.426 4.340 -0.000 0.000 0.331 533 R C -0.406 175.298 176.300 -0.993 0.000 1.116 533 R CA 0.492 55.885 56.100 -1.178 0.000 0.970 533 R CB -0.320 29.549 30.300 -0.720 0.000 1.024 533 R HN 0.264 nan 8.270 nan 0.000 0.472 534 T N 1.596 115.279 114.554 -1.451 0.000 3.783 534 T HA 0.199 4.549 4.350 -0.000 0.000 0.262 534 T C -0.224 173.877 174.700 -0.998 0.000 1.381 534 T CA -0.585 60.710 62.100 -1.342 0.000 1.155 534 T CB -0.360 67.507 68.868 -1.668 0.000 1.256 534 T HN 0.763 nan 8.240 nan 0.000 0.807 535 E N -0.656 119.166 120.200 -0.629 0.000 2.449 535 E HA 0.618 4.968 4.350 -0.000 0.000 0.278 535 E C -1.505 175.017 176.600 -0.130 0.000 1.059 535 E CA -1.268 55.006 56.400 -0.210 0.000 0.854 535 E CB 0.671 30.276 29.700 -0.159 0.000 1.465 535 E HN -0.010 nan 8.360 nan 0.000 0.462 536 S N 0.045 115.726 115.700 -0.033 0.000 2.667 536 S HA 0.473 4.943 4.470 -0.000 0.000 0.304 536 S C -0.963 173.659 174.600 0.037 0.000 1.135 536 S CA -0.667 57.501 58.200 -0.054 0.000 1.125 536 S CB 0.527 63.705 63.200 -0.037 0.000 0.996 536 S HN 0.407 nan 8.310 nan 0.000 0.474 537 R N 1.960 122.510 120.500 0.083 0.000 2.513 537 R HA 0.592 4.932 4.340 -0.000 0.000 0.301 537 R C 0.932 177.311 176.300 0.132 0.000 0.968 537 R CA 0.340 56.512 56.100 0.120 0.000 0.872 537 R CB 1.042 31.426 30.300 0.140 0.000 1.177 537 R HN 0.818 nan 8.270 nan 0.000 0.444 538 G N 2.552 111.421 108.800 0.114 0.000 2.629 538 G HA2 -0.477 3.483 3.960 -0.000 0.000 0.313 538 G HA3 -0.477 3.483 3.960 -0.000 0.000 0.313 538 G C 0.794 175.752 174.900 0.097 0.000 1.217 538 G CA 0.650 45.815 45.100 0.110 0.000 0.994 538 G HN 0.779 nan 8.290 nan 0.000 0.549 539 A N -0.708 122.189 122.820 0.127 0.000 2.014 539 A HA 0.216 4.536 4.320 -0.000 0.000 0.218 539 A C 1.342 179.020 177.584 0.156 0.000 1.163 539 A CA 1.951 54.074 52.037 0.143 0.000 0.652 539 A CB -0.430 18.701 19.000 0.219 0.000 0.808 539 A HN 1.429 nan 8.150 nan 0.000 0.449 540 H N 0.622 119.734 119.070 0.069 0.000 3.017 540 H HA 0.467 5.023 4.556 -0.000 0.000 0.276 540 H C -0.700 174.622 175.328 -0.010 0.000 1.062 540 H CA 0.132 56.209 56.048 0.047 0.000 1.486 540 H CB 0.106 29.894 29.762 0.044 0.000 1.507 540 H HN 0.066 nan 8.280 nan 0.000 0.508 541 S N 5.917 121.436 115.700 -0.302 0.000 2.745 541 S HA 0.417 4.887 4.470 -0.000 0.000 0.283 541 S C -0.582 173.801 174.600 -0.362 0.000 1.170 541 S CA -0.819 57.200 58.200 -0.300 0.000 1.119 541 S CB 0.031 63.077 63.200 -0.257 0.000 1.035 541 S HN 0.699 nan 8.310 nan 0.000 0.483 542 R N 2.628 122.917 120.500 -0.352 0.000 2.428 542 R HA 0.399 4.739 4.340 -0.000 0.000 0.294 542 R C 0.101 176.311 176.300 -0.150 0.000 1.000 542 R CA -0.503 55.462 56.100 -0.225 0.000 0.960 542 R CB 0.595 30.844 30.300 -0.085 0.000 1.076 542 R HN 0.504 nan 8.270 nan 0.000 0.475 543 F N 1.273 121.247 119.950 0.041 0.000 2.187 543 F HA -0.140 4.387 4.527 -0.000 0.000 0.295 543 F C 2.172 177.955 175.800 -0.029 0.000 1.091 543 F CA 1.223 59.221 58.000 -0.003 0.000 1.308 543 F CB -0.167 38.807 39.000 -0.044 0.000 1.030 543 F HN 0.594 nan 8.300 nan 0.000 0.487 544 D N -1.017 119.480 120.400 0.161 0.000 2.371 544 D HA -0.167 4.473 4.640 -0.000 0.000 0.221 544 D C 0.089 176.195 176.300 -0.322 0.000 0.986 544 D CA 0.752 54.724 54.000 -0.046 0.000 0.899 544 D CB -0.597 40.197 40.800 -0.010 0.000 0.902 544 D HN 0.282 nan 8.370 nan 0.000 0.530 545 F N 0.157 120.112 119.950 0.008 0.000 2.708 545 F HA 0.271 4.798 4.527 -0.000 0.000 0.344 545 F C -1.897 173.889 175.800 -0.023 0.000 1.447 545 F CA -1.694 56.299 58.000 -0.011 0.000 1.140 545 F CB 1.957 40.927 39.000 -0.049 0.000 1.657 545 F HN -0.205 nan 8.300 nan 0.000 0.598 546 P HA -0.021 nan 4.420 nan 0.000 0.233 546 P C -0.224 177.127 177.300 0.085 0.000 1.167 546 P CA 0.797 63.948 63.100 0.085 0.000 0.770 546 P CB 0.371 32.129 31.700 0.097 0.000 0.837 547 D N 0.722 121.184 120.400 0.104 0.000 2.255 547 D HA 0.143 4.783 4.640 -0.000 0.000 0.249 547 D C 0.311 176.676 176.300 0.110 0.000 1.078 547 D CA -0.352 53.709 54.000 0.101 0.000 0.896 547 D CB 1.113 41.974 40.800 0.101 0.000 1.194 547 D HN -0.091 nan 8.370 nan 0.000 0.429 548 R N 1.571 122.131 120.500 0.099 0.000 2.370 548 R HA -0.004 4.336 4.340 -0.000 0.000 0.309 548 R C -0.516 175.863 176.300 0.130 0.000 1.059 548 R CA -0.114 56.053 56.100 0.110 0.000 0.981 548 R CB 0.313 30.675 30.300 0.104 0.000 0.972 548 R HN 0.226 nan 8.270 nan 0.000 0.437 549 D N 3.426 123.934 120.400 0.180 0.000 2.505 549 D HA 0.080 4.720 4.640 -0.000 0.000 0.242 549 D C -0.279 176.137 176.300 0.194 0.000 1.136 549 D CA -0.390 53.741 54.000 0.217 0.000 0.954 549 D CB 0.831 41.843 40.800 0.354 0.000 1.002 549 D HN 0.444 nan 8.370 nan 0.000 0.512 550 D N 1.412 121.880 120.400 0.113 0.000 2.348 550 D HA -0.061 4.579 4.640 -0.000 0.000 0.216 550 D C 1.288 177.610 176.300 0.037 0.000 0.970 550 D CA 0.611 54.654 54.000 0.073 0.000 0.889 550 D CB 0.429 41.246 40.800 0.028 0.000 0.912 550 D HN 0.557 nan 8.370 nan 0.000 0.524 551 E N -0.510 119.709 120.200 0.032 0.000 2.385 551 E HA 0.062 4.412 4.350 -0.000 0.000 0.194 551 E C 1.020 177.575 176.600 -0.076 0.000 1.013 551 E CA 0.250 56.643 56.400 -0.012 0.000 0.866 551 E CB 0.384 30.085 29.700 0.002 0.000 0.832 551 E HN 0.243 nan 8.360 nan 0.000 0.500 552 N N -1.465 117.166 118.700 -0.114 0.000 2.266 552 N HA 0.028 4.768 4.740 -0.000 0.000 0.217 552 N C 0.244 175.346 175.510 -0.680 0.000 1.211 552 N CA 0.204 53.005 53.050 -0.415 0.000 0.881 552 N CB 0.438 38.634 38.487 -0.486 0.000 1.153 552 N HN 0.123 nan 8.380 nan 0.000 0.489 553 W N 1.003 122.291 121.300 -0.021 0.000 2.407 553 W HA 0.402 5.062 4.660 -0.000 0.000 0.370 553 W C 0.042 176.558 176.519 -0.006 0.000 0.928 553 W CA -0.411 56.921 57.345 -0.021 0.000 2.005 553 W CB 0.256 29.698 29.460 -0.029 0.000 1.171 553 W HN -0.152 nan 8.180 nan 0.000 0.572 554 L N 3.392 124.680 121.223 0.108 0.000 2.437 554 L HA 0.305 4.645 4.340 -0.000 0.000 0.243 554 L C 0.250 177.127 176.870 0.012 0.000 1.346 554 L CA -0.305 54.574 54.840 0.065 0.000 1.233 554 L CB -1.355 40.727 42.059 0.038 0.000 1.436 554 L HN 0.182 nan 8.230 nan 0.000 0.416 555 C N -1.136 118.175 119.300 0.018 0.000 3.295 555 C HA 0.517 4.977 4.460 -0.000 0.000 0.341 555 C C -0.326 174.629 174.990 -0.059 0.000 1.418 555 C CA -1.166 57.837 59.018 -0.025 0.000 1.240 555 C CB 1.515 29.280 27.740 0.043 0.000 1.562 555 C HN 0.451 nan 8.230 nan 0.000 0.457 556 H N 1.192 120.344 119.070 0.136 0.000 2.481 556 H HA 0.598 5.154 4.556 -0.000 0.000 0.339 556 H C 0.381 175.828 175.328 0.197 0.000 1.131 556 H CA 0.539 56.670 56.048 0.138 0.000 1.301 556 H CB 1.879 31.690 29.762 0.082 0.000 1.476 556 H HN 0.933 nan 8.280 nan 0.000 0.529 557 S N 2.265 118.172 115.700 0.344 0.000 2.585 557 S HA 0.460 4.929 4.470 -0.000 0.000 0.277 557 S C -0.291 174.432 174.600 0.206 0.000 1.241 557 S CA -0.866 57.545 58.200 0.352 0.000 1.041 557 S CB 1.346 64.788 63.200 0.403 0.000 0.987 557 S HN 0.380 nan 8.310 nan 0.000 0.512 558 L N 2.765 124.066 121.223 0.130 0.000 2.406 558 L HA 0.476 4.816 4.340 -0.000 0.000 0.272 558 L C -1.427 175.460 176.870 0.027 0.000 0.980 558 L CA -0.764 54.115 54.840 0.064 0.000 0.831 558 L CB 1.696 43.775 42.059 0.034 0.000 1.253 558 L HN 0.854 nan 8.230 nan 0.000 0.406 559 Y N 5.617 125.881 120.300 -0.061 0.000 2.365 559 Y HA 0.559 5.109 4.550 -0.000 0.000 0.340 559 Y C -1.008 174.863 175.900 -0.048 0.000 1.016 559 Y CA -0.528 57.530 58.100 -0.069 0.000 1.196 559 Y CB 0.647 39.088 38.460 -0.032 0.000 1.167 559 Y HN 0.509 nan 8.280 nan 0.000 0.509 560 L N 9.948 130.868 121.223 -0.505 0.000 2.257 560 L HA 0.327 4.666 4.340 -0.000 0.000 0.290 560 L C -1.737 174.722 176.870 -0.684 0.000 1.044 560 L CA -1.795 52.778 54.840 -0.445 0.000 0.810 560 L CB 1.201 43.102 42.059 -0.263 0.000 1.193 560 L HN 0.564 nan 8.230 nan 0.000 0.425 561 P HA -0.063 nan 4.420 nan 0.000 0.220 561 P C 1.031 178.195 177.300 -0.227 0.000 1.152 561 P CA 0.845 63.700 63.100 -0.407 0.000 0.812 561 P CB 0.498 32.118 31.700 -0.133 0.000 0.792 562 E N -0.018 120.079 120.200 -0.173 0.000 2.028 562 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 562 E C 1.875 178.417 176.600 -0.097 0.000 0.988 562 E CA 1.861 58.197 56.400 -0.106 0.000 0.799 562 E CB -0.342 29.308 29.700 -0.084 0.000 0.755 562 E HN 0.262 nan 8.360 nan 0.000 0.447 563 S N -0.289 115.340 115.700 -0.119 0.000 2.575 563 S HA 0.073 4.543 4.470 -0.000 0.000 0.215 563 S C 0.265 174.820 174.600 -0.075 0.000 0.966 563 S CA 0.060 58.212 58.200 -0.081 0.000 0.911 563 S CB 0.058 63.214 63.200 -0.073 0.000 0.780 563 S HN 0.224 nan 8.310 nan 0.000 0.514 564 E N 1.232 121.345 120.200 -0.145 0.000 2.539 564 E HA -0.201 4.149 4.350 -0.000 0.000 0.253 564 E C 0.196 176.804 176.600 0.014 0.000 1.145 564 E CA 0.604 56.967 56.400 -0.062 0.000 0.738 564 E CB -1.975 27.826 29.700 0.169 0.000 1.308 564 E HN 0.852 nan 8.360 nan 0.000 0.409 565 S N -1.314 114.315 115.700 -0.119 0.000 2.776 565 S HA 0.778 5.248 4.470 -0.000 0.000 0.306 565 S C 0.218 174.720 174.600 -0.164 0.000 1.114 565 S CA -1.087 57.064 58.200 -0.082 0.000 0.973 565 S CB 1.814 64.966 63.200 -0.079 0.000 1.250 565 S HN 0.082 nan 8.310 nan 0.000 0.549 566 M N 0.392 119.815 119.600 -0.295 0.000 2.761 566 M HA 0.721 5.201 4.480 -0.000 0.000 0.305 566 M C -0.127 175.892 176.300 -0.468 0.000 1.235 566 M CA -0.331 54.632 55.300 -0.562 0.000 0.850 566 M CB 1.487 33.243 32.600 -1.407 0.000 1.744 566 M HN 0.998 nan 8.290 nan 0.000 0.480 567 T N -0.115 114.213 114.554 -0.376 0.000 2.677 567 T HA 0.547 4.897 4.350 -0.000 0.000 0.305 567 T C -1.629 173.122 174.700 0.086 0.000 1.569 567 T CA -0.709 61.343 62.100 -0.080 0.000 0.984 567 T CB 1.787 70.625 68.868 -0.050 0.000 1.629 567 T HN 0.681 nan 8.240 nan 0.000 0.494 568 R N 0.755 121.336 120.500 0.136 0.000 2.832 568 R HA 0.795 5.135 4.340 -0.000 0.000 0.271 568 R C -0.540 175.827 176.300 0.113 0.000 0.996 568 R CA -0.989 55.213 56.100 0.170 0.000 0.977 568 R CB 1.840 32.223 30.300 0.138 0.000 1.168 568 R HN 0.415 nan 8.270 nan 0.000 0.482 569 R N 0.110 120.700 120.500 0.150 0.000 2.686 569 R HA 0.332 4.672 4.340 -0.000 0.000 0.283 569 R C -0.738 175.660 176.300 0.163 0.000 0.978 569 R CA -0.639 55.543 56.100 0.137 0.000 0.897 569 R CB 2.510 32.889 30.300 0.133 0.000 1.192 569 R HN 0.600 nan 8.270 nan 0.000 0.457 570 S N 1.109 116.878 115.700 0.115 0.000 2.558 570 S HA 0.033 4.503 4.470 -0.000 0.000 0.288 570 S C 0.282 174.971 174.600 0.147 0.000 1.318 570 S CA -0.446 57.808 58.200 0.090 0.000 1.056 570 S CB 0.678 63.915 63.200 0.061 0.000 0.853 570 S HN 0.236 nan 8.310 nan 0.000 0.505 571 V N 3.936 123.870 119.914 0.032 0.000 2.649 571 V HA 0.156 4.276 4.120 -0.000 0.000 0.292 571 V C 0.721 176.866 176.094 0.084 0.000 1.055 571 V CA -0.656 61.656 62.300 0.020 0.000 1.023 571 V CB 1.010 32.777 31.823 -0.093 0.000 0.992 571 V HN 0.812 nan 8.190 nan 0.000 0.480 572 N N 4.704 123.475 118.700 0.119 0.000 2.419 572 N HA 0.354 5.094 4.740 -0.000 0.000 0.264 572 N C -0.427 175.142 175.510 0.098 0.000 1.031 572 N CA -0.239 52.867 53.050 0.094 0.000 0.951 572 N CB 1.132 39.670 38.487 0.086 0.000 1.101 572 N HN 0.657 nan 8.380 nan 0.000 0.488 573 M N 2.707 122.358 119.600 0.085 0.000 3.004 573 M HA 0.199 4.679 4.480 -0.000 0.000 0.365 573 M C -0.853 175.496 176.300 0.081 0.000 1.317 573 M CA -0.089 55.270 55.300 0.098 0.000 0.821 573 M CB 0.478 33.136 32.600 0.095 0.000 1.387 573 M HN 0.321 nan 8.290 nan 0.000 0.501 574 E N 1.579 121.826 120.200 0.078 0.000 2.873 574 E HA 0.294 4.644 4.350 -0.000 0.000 0.232 574 E C -2.474 174.175 176.600 0.082 0.000 1.123 574 E CA -1.628 54.812 56.400 0.066 0.000 0.809 574 E CB 1.353 31.082 29.700 0.048 0.000 1.366 574 E HN 0.104 nan 8.360 nan 0.000 0.400 575 P HA 0.029 nan 4.420 nan 0.000 0.272 575 P C 0.387 177.752 177.300 0.109 0.000 1.223 575 P CA -0.385 62.795 63.100 0.133 0.000 0.784 575 P CB 0.998 32.802 31.700 0.174 0.000 0.923 576 K N 1.276 121.747 120.400 0.118 0.000 2.323 576 K HA 0.169 4.489 4.320 -0.000 0.000 0.197 576 K C 1.342 178.006 176.600 0.105 0.000 1.043 576 K CA 0.947 57.289 56.287 0.093 0.000 0.997 576 K CB -0.079 32.469 32.500 0.080 0.000 0.807 576 K HN 0.431 nan 8.250 nan 0.000 0.497 577 L N 0.445 121.764 121.223 0.160 0.000 2.701 577 L HA 0.218 4.558 4.340 -0.000 0.000 0.238 577 L C 0.641 177.625 176.870 0.189 0.000 1.106 577 L CA -0.236 54.721 54.840 0.196 0.000 0.898 577 L CB 0.301 42.532 42.059 0.288 0.000 1.188 577 L HN 0.049 nan 8.230 nan 0.000 0.508 578 R N -0.882 119.708 120.500 0.150 0.000 2.752 578 R HA 0.596 4.936 4.340 -0.000 0.000 0.271 578 R C -3.121 173.169 176.300 -0.016 0.000 1.026 578 R CA -1.621 54.506 56.100 0.045 0.000 0.901 578 R CB 0.557 30.866 30.300 0.016 0.000 1.243 578 R HN -0.345 nan 8.270 nan 0.000 0.463 579 P HA 0.182 nan 4.420 nan 0.000 0.274 579 P C -0.632 176.547 177.300 -0.201 0.000 1.237 579 P CA -0.370 62.657 63.100 -0.121 0.000 0.793 579 P CB 0.783 32.397 31.700 -0.143 0.000 0.977 580 A N 1.630 124.389 122.820 -0.103 0.000 2.448 580 A HA 0.286 4.606 4.320 -0.000 0.000 0.239 580 A C -0.391 177.102 177.584 -0.153 0.000 1.080 580 A CA 0.012 52.021 52.037 -0.047 0.000 0.779 580 A CB -0.616 18.419 19.000 0.058 0.000 1.026 580 A HN 0.413 nan 8.150 nan 0.000 0.499 581 F N 1.921 121.960 119.950 0.148 0.000 2.411 581 F HA 0.381 4.908 4.527 -0.000 0.000 0.355 581 F C -1.560 174.346 175.800 0.176 0.000 1.117 581 F CA -1.767 56.347 58.000 0.190 0.000 1.139 581 F CB 0.972 40.139 39.000 0.279 0.000 1.120 581 F HN 0.348 nan 8.300 nan 0.000 0.493 582 P HA 0.242 nan 4.420 nan 0.000 0.276 582 P C -2.749 174.481 177.300 -0.117 0.000 1.244 582 P CA -1.911 61.231 63.100 0.069 0.000 0.801 582 P CB 0.189 31.897 31.700 0.014 0.000 1.006 583 P HA 0.170 nan 4.420 nan 0.000 0.271 583 P C -0.188 176.739 177.300 -0.621 0.000 1.220 583 P CA 0.249 62.792 63.100 -0.927 0.000 0.768 583 P CB 0.343 31.771 31.700 -0.454 0.000 0.848 584 K N 1.948 121.903 120.400 -0.741 0.000 2.439 584 K HA 0.532 4.852 4.320 -0.000 0.000 0.260 584 K C -0.869 175.638 176.600 -0.156 0.000 1.032 584 K CA -1.136 54.992 56.287 -0.265 0.000 0.882 584 K CB 0.765 33.207 32.500 -0.096 0.000 1.420 584 K HN 0.002 nan 8.250 nan 0.000 0.455 585 I N 1.897 122.439 120.570 -0.047 0.000 2.598 585 I HA 0.072 4.242 4.170 -0.000 0.000 0.284 585 I C 0.611 176.749 176.117 0.035 0.000 1.140 585 I CA 0.299 61.602 61.300 0.006 0.000 1.420 585 I CB 0.311 38.318 38.000 0.012 0.000 1.387 585 I HN 0.481 nan 8.210 nan 0.000 0.553 586 R N 5.985 126.521 120.500 0.059 0.000 2.215 586 R HA 0.469 4.809 4.340 -0.000 0.000 0.337 586 R C -0.875 175.382 176.300 -0.072 0.000 1.010 586 R CA -0.269 55.834 56.100 0.004 0.000 0.871 586 R CB 0.463 30.807 30.300 0.073 0.000 1.134 586 R HN 0.832 nan 8.270 nan 0.000 0.477 587 T N 0.614 115.084 114.554 -0.141 0.000 2.900 587 T HA 0.425 4.775 4.350 -0.000 0.000 0.295 587 T C -0.784 173.798 174.700 -0.198 0.000 1.044 587 T CA -0.629 61.419 62.100 -0.086 0.000 0.995 587 T CB 1.247 70.122 68.868 0.012 0.000 1.072 587 T HN 0.372 nan 8.240 nan 0.000 0.473 588 Y N 0.000 120.339 120.300 0.064 0.000 2.660 588 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 588 Y CA 0.000 58.132 58.100 0.052 0.000 1.940 588 Y CB 0.000 38.485 38.460 0.042 0.000 1.050 588 Y HN 0.000 nan 8.280 nan 0.000 0.758