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 2wu5_1_A 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 0.000 176.312 176.300 0.020 0.000 1.140 1 M CA 0.000 55.313 55.300 0.021 0.000 0.988 1 M CB 0.000 32.625 32.600 0.041 0.000 1.302 2 K N 2.308 122.720 120.400 0.019 0.000 2.576 2 K HA 0.486 4.465 4.320 -0.568 0.000 0.209 2 K C -1.319 175.299 176.600 0.029 0.000 1.049 2 K CA -0.061 56.239 56.287 0.020 0.000 1.140 2 K CB 0.346 32.855 32.500 0.015 0.000 0.871 2 K HN 0.674 nan 8.250 nan 0.000 0.479 3 L N 0.995 122.242 121.223 0.039 0.000 2.470 3 L HA 0.437 4.436 4.340 -0.568 0.000 0.268 3 L C -2.683 174.222 176.870 0.058 0.000 0.964 3 L CA -1.673 53.199 54.840 0.055 0.000 0.839 3 L CB 2.080 44.179 42.059 0.066 0.000 1.276 3 L HN -0.081 nan 8.230 nan 0.000 0.403 4 P HA 0.084 nan 4.420 nan 0.000 0.262 4 P C -1.172 176.110 177.300 -0.031 0.000 1.182 4 P CA 0.066 63.170 63.100 0.006 0.000 0.761 4 P CB 0.434 32.141 31.700 0.012 0.000 0.795 5 V N 5.948 125.825 119.914 -0.062 0.000 2.334 5 V HA 0.317 4.096 4.120 -0.568 0.000 0.281 5 V C 0.561 176.500 176.094 -0.258 0.000 1.016 5 V CA -0.449 61.770 62.300 -0.134 0.000 0.832 5 V CB 1.059 32.863 31.823 -0.032 0.000 0.999 5 V HN 0.414 nan 8.190 nan 0.000 0.439 6 R N 3.469 123.715 120.500 -0.424 0.000 2.239 6 R HA 0.413 4.412 4.340 -0.568 0.000 0.332 6 R C -0.222 175.865 176.300 -0.355 0.000 0.988 6 R CA -0.381 55.471 56.100 -0.414 0.000 0.859 6 R CB 1.695 31.673 30.300 -0.536 0.000 1.148 6 R HN 0.743 nan 8.270 nan 0.000 0.482 7 E N 3.465 123.397 120.200 -0.448 0.000 2.216 7 E HA 0.347 4.356 4.350 -0.568 0.000 0.279 7 E C -1.129 175.115 176.600 -0.593 0.000 0.997 7 E CA -0.364 55.822 56.400 -0.356 0.000 0.817 7 E CB 0.720 30.265 29.700 -0.257 0.000 1.096 7 E HN 0.271 nan 8.360 nan 0.000 0.393 8 F N 1.555 121.468 119.950 -0.061 0.000 2.643 8 F HA 0.204 4.391 4.527 -0.568 0.000 0.314 8 F C 0.898 176.680 175.800 -0.029 0.000 1.096 8 F CA -0.865 57.120 58.000 -0.026 0.000 0.953 8 F CB 1.515 40.514 39.000 -0.001 0.000 1.345 8 F HN 0.412 nan 8.300 nan 0.000 0.468 9 D N 0.786 121.290 120.400 0.174 0.000 2.097 9 D HA 0.073 4.372 4.640 -0.568 0.000 0.197 9 D C 0.315 176.652 176.300 0.062 0.000 0.984 9 D CA 1.398 55.447 54.000 0.082 0.000 0.826 9 D CB 0.077 40.907 40.800 0.049 0.000 0.973 9 D HN 0.418 nan 8.370 nan 0.000 0.460 10 A N -0.107 122.750 122.820 0.063 0.000 2.414 10 A HA 0.566 4.545 4.320 -0.568 0.000 0.306 10 A C -1.085 176.466 177.584 -0.056 0.000 1.054 10 A CA -0.531 51.493 52.037 -0.022 0.000 0.724 10 A CB 2.180 21.123 19.000 -0.096 0.000 1.267 10 A HN -0.093 nan 8.150 nan 0.000 0.418 11 V N 2.926 122.790 119.914 -0.083 0.000 2.349 11 V HA 0.311 4.090 4.120 -0.568 0.000 0.284 11 V C -0.452 175.539 176.094 -0.171 0.000 1.014 11 V CA -0.464 61.728 62.300 -0.181 0.000 0.826 11 V CB 1.417 33.149 31.823 -0.152 0.000 1.009 11 V HN 0.652 nan 8.190 nan 0.000 0.431 12 V N 6.880 126.674 119.914 -0.200 0.000 2.353 12 V HA 0.368 4.147 4.120 -0.568 0.000 0.264 12 V C 0.292 176.283 176.094 -0.172 0.000 1.049 12 V CA -0.209 62.000 62.300 -0.151 0.000 0.896 12 V CB 1.125 32.873 31.823 -0.126 0.000 1.025 12 V HN 0.669 nan 8.190 nan 0.000 0.475 13 I N 5.419 125.903 120.570 -0.143 0.000 2.278 13 I HA 0.604 4.433 4.170 -0.568 0.000 0.296 13 I C 0.875 176.926 176.117 -0.110 0.000 1.121 13 I CA 0.279 61.488 61.300 -0.153 0.000 1.267 13 I CB 0.272 38.188 38.000 -0.140 0.000 1.447 13 I HN 0.827 nan 8.210 nan 0.000 0.509 14 G N 4.334 113.072 108.800 -0.104 0.000 2.801 14 G HA2 0.222 3.841 3.960 -0.568 0.000 0.648 14 G HA3 0.222 3.841 3.960 -0.568 0.000 0.648 14 G C -0.560 174.302 174.900 -0.064 0.000 1.415 14 G CA -0.349 44.708 45.100 -0.071 0.000 0.887 14 G HN 0.710 nan 8.290 nan 0.000 0.627 15 A N 1.243 124.028 122.820 -0.059 0.000 2.793 15 A HA 0.791 4.771 4.320 -0.568 0.000 0.301 15 A C 1.288 178.836 177.584 -0.061 0.000 1.172 15 A CA 1.050 53.047 52.037 -0.067 0.000 0.973 15 A CB -0.179 18.766 19.000 -0.092 0.000 1.164 15 A HN 2.019 nan 8.150 nan 0.000 0.542 16 G N -0.675 108.104 108.800 -0.034 0.000 2.494 16 G HA2 0.400 4.019 3.960 -0.568 0.000 0.270 16 G HA3 0.400 4.019 3.960 -0.568 0.000 0.270 16 G C 1.160 176.051 174.900 -0.014 0.000 1.423 16 G CA 0.174 45.263 45.100 -0.019 0.000 1.055 16 G HN 0.526 nan 8.290 nan 0.000 0.536 17 G N -0.266 108.537 108.800 0.005 0.000 2.446 17 G HA2 0.035 3.654 3.960 -0.568 0.000 0.217 17 G HA3 0.035 3.654 3.960 -0.568 0.000 0.217 17 G C 1.966 176.882 174.900 0.026 0.000 1.168 17 G CA 1.928 47.036 45.100 0.013 0.000 0.771 17 G HN 0.890 nan 8.290 nan 0.000 0.551 18 A N 0.812 123.658 122.820 0.043 0.000 1.873 18 A HA 0.200 4.179 4.320 -0.568 0.000 0.215 18 A C 2.728 180.327 177.584 0.026 0.000 1.186 18 A CA 2.069 54.140 52.037 0.056 0.000 0.616 18 A CB -1.116 17.930 19.000 0.076 0.000 0.823 18 A HN 0.530 nan 8.150 nan 0.000 0.442 19 G N -0.721 108.081 108.800 0.004 0.000 2.421 19 G HA2 -0.218 3.401 3.960 -0.568 0.000 0.216 19 G HA3 -0.218 3.401 3.960 -0.568 0.000 0.216 19 G C 1.646 176.527 174.900 -0.032 0.000 1.171 19 G CA 1.202 46.289 45.100 -0.022 0.000 0.775 19 G HN 0.442 nan 8.290 nan 0.000 0.543 20 M N -0.485 119.098 119.600 -0.028 0.000 2.254 20 M HA 0.076 4.216 4.480 -0.568 0.000 0.265 20 M C 2.574 178.857 176.300 -0.029 0.000 1.066 20 M CA 0.893 56.173 55.300 -0.034 0.000 1.123 20 M CB -0.057 32.527 32.600 -0.028 0.000 1.388 20 M HN 0.138 nan 8.290 nan 0.000 0.425 21 R N 1.042 121.534 120.500 -0.013 0.000 2.092 21 R HA 0.014 4.013 4.340 -0.568 0.000 0.231 21 R C 2.007 178.300 176.300 -0.011 0.000 1.119 21 R CA 1.853 57.949 56.100 -0.007 0.000 0.970 21 R CB -0.680 29.627 30.300 0.012 0.000 0.864 21 R HN 0.304 nan 8.270 nan 0.000 0.440 22 A N 0.294 123.108 122.820 -0.009 0.000 1.855 22 A HA 0.001 3.980 4.320 -0.568 0.000 0.215 22 A C 2.371 179.928 177.584 -0.046 0.000 1.191 22 A CA 1.702 53.727 52.037 -0.021 0.000 0.613 22 A CB -1.190 17.798 19.000 -0.019 0.000 0.829 22 A HN 0.441 nan 8.150 nan 0.000 0.442 23 A N -0.768 122.019 122.820 -0.054 0.000 1.940 23 A HA -0.098 3.882 4.320 -0.568 0.000 0.219 23 A C 2.122 179.673 177.584 -0.056 0.000 1.176 23 A CA 1.836 53.834 52.037 -0.066 0.000 0.631 23 A CB -0.594 18.362 19.000 -0.075 0.000 0.814 23 A HN 0.520 nan 8.150 nan 0.000 0.446 24 L N -0.867 120.326 121.223 -0.049 0.000 2.017 24 L HA -0.161 3.838 4.340 -0.568 0.000 0.208 24 L C 2.563 179.409 176.870 -0.040 0.000 1.073 24 L CA 2.518 57.330 54.840 -0.046 0.000 0.745 24 L CB -0.590 41.444 42.059 -0.043 0.000 0.894 24 L HN 0.503 nan 8.230 nan 0.000 0.432 25 Q N -0.441 119.337 119.800 -0.038 0.000 2.083 25 Q HA -0.104 3.895 4.340 -0.568 0.000 0.198 25 Q C 2.118 178.091 176.000 -0.045 0.000 0.969 25 Q CA 1.752 57.532 55.803 -0.038 0.000 0.838 25 Q CB -0.273 28.445 28.738 -0.034 0.000 0.900 25 Q HN 0.590 nan 8.270 nan 0.000 0.436 26 I N -0.298 120.240 120.570 -0.052 0.000 2.208 26 I HA -0.279 3.550 4.170 -0.568 0.000 0.245 26 I C 2.393 178.486 176.117 -0.040 0.000 1.097 26 I CA 1.401 62.666 61.300 -0.058 0.000 1.363 26 I CB -0.499 37.455 38.000 -0.076 0.000 1.051 26 I HN 0.225 nan 8.210 nan 0.000 0.413 27 S N 0.232 115.912 115.700 -0.034 0.000 2.368 27 S HA -0.219 3.911 4.470 -0.568 0.000 0.224 27 S C 1.977 176.568 174.600 -0.015 0.000 1.029 27 S CA 1.408 59.597 58.200 -0.018 0.000 0.988 27 S CB -0.148 63.041 63.200 -0.018 0.000 0.838 27 S HN 0.446 nan 8.310 nan 0.000 0.462 28 Q N 0.229 120.015 119.800 -0.022 0.000 2.364 28 Q HA 0.070 4.069 4.340 -0.568 0.000 0.207 28 Q C 1.883 177.870 176.000 -0.022 0.000 0.970 28 Q CA 1.041 56.832 55.803 -0.020 0.000 0.888 28 Q CB -0.054 28.669 28.738 -0.024 0.000 0.951 28 Q HN 0.446 nan 8.270 nan 0.000 0.469 29 S N -0.941 114.743 115.700 -0.028 0.000 2.562 29 S HA 0.100 4.229 4.470 -0.568 0.000 0.221 29 S C 1.165 175.752 174.600 -0.021 0.000 0.975 29 S CA 0.673 58.855 58.200 -0.030 0.000 0.918 29 S CB 0.552 63.727 63.200 -0.041 0.000 0.772 29 S HN 0.651 nan 8.310 nan 0.000 0.531 30 G N 0.917 109.709 108.800 -0.014 0.000 2.163 30 G HA2 -0.178 3.441 3.960 -0.568 0.000 0.213 30 G HA3 -0.178 3.441 3.960 -0.568 0.000 0.213 30 G C -0.269 174.631 174.900 -0.001 0.000 0.991 30 G CA -0.541 44.556 45.100 -0.006 0.000 0.653 30 G HN 0.477 nan 8.290 nan 0.000 0.518 31 Q N 1.097 120.896 119.800 -0.002 0.000 2.266 31 Q HA 0.591 4.590 4.340 -0.568 0.000 0.261 31 Q C 0.610 176.628 176.000 0.030 0.000 0.985 31 Q CA -0.068 55.739 55.803 0.008 0.000 0.873 31 Q CB 1.554 30.288 28.738 -0.007 0.000 1.306 31 Q HN 0.426 nan 8.270 nan 0.000 0.447 32 T N -1.809 112.783 114.554 0.064 0.000 2.919 32 T HA 0.338 4.347 4.350 -0.568 0.000 0.302 32 T C -0.193 174.601 174.700 0.156 0.000 1.031 32 T CA -0.660 61.522 62.100 0.136 0.000 1.127 32 T CB 0.671 69.648 68.868 0.182 0.000 0.952 32 T HN 0.658 nan 8.240 nan 0.000 0.540 33 C N 2.719 122.100 119.300 0.135 0.000 2.701 33 C HA 0.778 4.898 4.460 -0.568 0.000 0.336 33 C C -0.358 174.499 174.990 -0.222 0.000 1.123 33 C CA -0.364 58.638 59.018 -0.026 0.000 1.326 33 C CB 0.236 27.943 27.740 -0.055 0.000 1.833 33 C HN 1.315 nan 8.230 nan 0.000 0.473 34 A N 5.070 127.573 122.820 -0.529 0.000 2.271 34 A HA 0.689 4.669 4.320 -0.568 0.000 0.317 34 A C -0.996 176.370 177.584 -0.364 0.000 1.245 34 A CA -0.399 51.242 52.037 -0.660 0.000 0.857 34 A CB 0.779 18.934 19.000 -1.408 0.000 1.175 34 A HN 1.107 nan 8.150 nan 0.000 0.512 35 L N 4.072 125.181 121.223 -0.189 0.000 2.264 35 L HA 0.543 4.542 4.340 -0.568 0.000 0.287 35 L C -1.035 175.757 176.870 -0.130 0.000 1.039 35 L CA -0.289 54.458 54.840 -0.155 0.000 0.829 35 L CB 0.407 42.401 42.059 -0.107 0.000 1.211 35 L HN 0.576 nan 8.230 nan 0.000 0.427 36 L N 3.744 124.837 121.223 -0.218 0.000 2.379 36 L HA 0.735 4.734 4.340 -0.568 0.000 0.269 36 L C 0.192 177.009 176.870 -0.088 0.000 1.084 36 L CA 0.171 54.894 54.840 -0.194 0.000 0.802 36 L CB 1.682 43.514 42.059 -0.378 0.000 1.175 36 L HN 0.691 nan 8.230 nan 0.000 0.448 37 S N 0.004 115.706 115.700 0.003 0.000 2.570 37 S HA 0.292 4.421 4.470 -0.568 0.000 0.286 37 S C 0.098 174.755 174.600 0.095 0.000 1.143 37 S CA -0.720 57.490 58.200 0.017 0.000 0.921 37 S CB 0.840 64.032 63.200 -0.012 0.000 1.108 37 S HN 0.708 nan 8.310 nan 0.000 0.456 38 K N 1.997 122.446 120.400 0.083 0.000 2.487 38 K HA 0.236 4.216 4.320 -0.568 0.000 0.192 38 K C 0.600 177.277 176.600 0.129 0.000 1.027 38 K CA 0.525 56.897 56.287 0.142 0.000 1.054 38 K CB -0.244 32.383 32.500 0.212 0.000 0.824 38 K HN 0.485 nan 8.250 nan 0.000 0.510 39 V N -2.745 117.239 119.914 0.117 0.000 3.160 39 V HA 0.460 4.239 4.120 -0.568 0.000 0.310 39 V C -0.541 175.642 176.094 0.148 0.000 1.181 39 V CA -1.542 60.845 62.300 0.145 0.000 1.047 39 V CB 1.070 32.969 31.823 0.126 0.000 1.068 39 V HN 0.081 nan 8.190 nan 0.000 0.441 40 F N 3.730 123.702 119.950 0.037 0.000 2.608 40 F HA 0.343 4.529 4.527 -0.569 0.000 0.380 40 F C -1.403 174.336 175.800 -0.102 0.000 1.083 40 F CA -0.963 57.023 58.000 -0.024 0.000 1.266 40 F CB 1.013 39.985 39.000 -0.047 0.000 1.076 40 F HN 0.459 nan 8.300 nan 0.000 0.574 41 P HA -0.266 nan 4.420 nan 0.000 0.219 41 P C 1.372 178.398 177.300 -0.457 0.000 1.158 41 P CA 2.932 65.705 63.100 -0.546 0.000 0.895 41 P CB -0.294 31.014 31.700 -0.653 0.000 0.792 42 T N -4.058 110.132 114.554 -0.606 0.000 3.215 42 T HA 0.056 4.066 4.350 -0.568 0.000 0.254 42 T C 1.273 175.892 174.700 -0.135 0.000 1.149 42 T CA 0.213 62.056 62.100 -0.429 0.000 1.042 42 T CB -0.517 67.989 68.868 -0.603 0.000 0.966 42 T HN 0.042 nan 8.240 nan 0.000 0.534 43 R N 1.099 121.588 120.500 -0.019 0.000 2.334 43 R HA 0.322 4.321 4.340 -0.568 0.000 0.216 43 R C 0.503 176.832 176.300 0.049 0.000 0.905 43 R CA -0.081 56.057 56.100 0.064 0.000 1.064 43 R CB -0.082 30.295 30.300 0.128 0.000 1.046 43 R HN 0.346 nan 8.270 nan 0.000 0.508 44 S N 0.913 116.613 115.700 -0.000 0.000 2.576 44 S HA -0.049 4.081 4.470 -0.568 0.000 0.272 44 S C 1.121 175.763 174.600 0.069 0.000 1.352 44 S CA -0.225 57.993 58.200 0.031 0.000 1.021 44 S CB 0.725 63.918 63.200 -0.011 0.000 0.887 44 S HN 0.382 nan 8.310 nan 0.000 0.542 45 H N 1.714 120.789 119.070 0.009 0.000 2.489 45 H HA -0.060 4.154 4.556 -0.569 0.000 0.293 45 H C 1.819 177.161 175.328 0.023 0.000 1.066 45 H CA 2.089 58.147 56.048 0.017 0.000 1.305 45 H CB -0.463 29.302 29.762 0.006 0.000 1.386 45 H HN 0.608 nan 8.280 nan 0.000 0.551 46 T N -0.676 113.874 114.554 -0.008 0.000 2.778 46 T HA -0.185 3.824 4.350 -0.568 0.000 0.269 46 T C 2.125 176.782 174.700 -0.072 0.000 1.050 46 T CA 1.197 63.272 62.100 -0.043 0.000 1.137 46 T CB -0.626 68.238 68.868 -0.007 0.000 0.860 46 T HN 0.258 nan 8.240 nan 0.000 0.468 47 V N 1.120 121.000 119.914 -0.057 0.000 2.828 47 V HA -0.122 3.657 4.120 -0.568 0.000 0.260 47 V C 2.012 178.112 176.094 0.011 0.000 1.101 47 V CA 1.724 64.029 62.300 0.008 0.000 1.123 47 V CB -0.404 31.447 31.823 0.046 0.000 0.704 47 V HN 0.432 nan 8.190 nan 0.000 0.493 48 S N -0.007 115.613 115.700 -0.134 0.000 2.556 48 S HA 0.413 4.542 4.470 -0.568 0.000 0.216 48 S C 0.894 175.424 174.600 -0.116 0.000 0.970 48 S CA 0.337 58.447 58.200 -0.151 0.000 0.912 48 S CB 0.105 63.129 63.200 -0.294 0.000 0.790 48 S HN 0.681 nan 8.310 nan 0.000 0.504 49 A N 1.514 124.277 122.820 -0.094 0.000 2.511 49 A HA 0.239 4.218 4.320 -0.568 0.000 0.242 49 A C 0.845 178.447 177.584 0.030 0.000 1.069 49 A CA 0.081 52.111 52.037 -0.012 0.000 0.763 49 A CB 0.291 19.295 19.000 0.005 0.000 1.001 49 A HN 0.478 nan 8.150 nan 0.000 0.498 50 Q N 2.401 122.238 119.800 0.062 0.000 2.619 50 Q HA 0.138 4.137 4.340 -0.568 0.000 0.195 50 Q C 2.233 178.301 176.000 0.114 0.000 0.910 50 Q CA 0.389 56.239 55.803 0.078 0.000 0.862 50 Q CB -0.278 28.502 28.738 0.069 0.000 1.123 50 Q HN 0.885 nan 8.270 nan 0.000 0.636 51 G N 0.835 109.751 108.800 0.193 0.000 2.719 51 G HA2 -0.052 3.568 3.960 -0.568 0.000 0.219 51 G HA3 -0.052 3.568 3.960 -0.568 0.000 0.219 51 G C 0.683 175.589 174.900 0.011 0.000 1.234 51 G CA 1.344 46.600 45.100 0.260 0.000 0.788 51 G HN 0.614 nan 8.290 nan 0.000 0.619 52 G N -1.673 107.066 108.800 -0.102 0.000 2.332 52 G HA2 0.281 3.900 3.960 -0.568 0.000 0.265 52 G HA3 0.281 3.900 3.960 -0.568 0.000 0.265 52 G C -1.359 173.460 174.900 -0.136 0.000 1.329 52 G CA -0.417 44.633 45.100 -0.083 0.000 0.949 52 G HN 0.665 nan 8.290 nan 0.000 0.476 53 I N 1.377 121.901 120.570 -0.077 0.000 2.382 53 I HA 0.364 4.193 4.170 -0.568 0.000 0.286 53 I C 0.095 176.129 176.117 -0.138 0.000 1.002 53 I CA -0.616 60.646 61.300 -0.062 0.000 1.135 53 I CB 1.935 39.965 38.000 0.049 0.000 1.288 53 I HN 0.335 nan 8.210 nan 0.000 0.448 54 T N 6.005 120.460 114.554 -0.164 0.000 2.769 54 T HA 0.341 4.350 4.350 -0.568 0.000 0.293 54 T C -0.291 174.276 174.700 -0.221 0.000 0.931 54 T CA -0.027 61.945 62.100 -0.213 0.000 1.139 54 T CB 0.695 69.470 68.868 -0.155 0.000 0.881 54 T HN 0.387 nan 8.240 nan 0.000 0.532 55 V N 2.668 122.409 119.914 -0.287 0.000 3.000 55 V HA 0.679 4.458 4.120 -0.568 0.000 0.300 55 V C -0.837 175.118 176.094 -0.232 0.000 1.251 55 V CA -0.985 61.179 62.300 -0.226 0.000 0.972 55 V CB 2.012 33.762 31.823 -0.121 0.000 1.065 55 V HN 0.884 nan 8.190 nan 0.000 0.431 56 A N 6.237 128.974 122.820 -0.138 0.000 3.037 56 A HA 0.419 4.398 4.320 -0.568 0.000 0.272 56 A C 0.862 178.376 177.584 -0.116 0.000 1.723 56 A CA -0.059 51.917 52.037 -0.102 0.000 1.413 56 A CB -0.608 18.410 19.000 0.030 0.000 1.112 56 A HN 0.932 nan 8.150 nan 0.000 0.606 57 L N 1.007 122.127 121.223 -0.172 0.000 2.131 57 L HA 0.092 4.091 4.340 -0.568 0.000 0.206 57 L C 1.894 178.664 176.870 -0.168 0.000 1.087 57 L CA 0.993 55.729 54.840 -0.174 0.000 0.767 57 L CB -0.316 41.612 42.059 -0.218 0.000 0.917 57 L HN 0.801 nan 8.230 nan 0.000 0.441 58 G N 0.035 108.708 108.800 -0.212 0.000 2.171 58 G HA2 -0.252 3.367 3.960 -0.568 0.000 0.238 58 G HA3 -0.252 3.367 3.960 -0.568 0.000 0.238 58 G C 0.448 175.238 174.900 -0.183 0.000 1.039 58 G CA 0.478 45.449 45.100 -0.214 0.000 0.759 58 G HN 0.304 nan 8.290 nan 0.000 0.501 59 N N -0.064 118.515 118.700 -0.202 0.000 2.258 59 N HA 0.004 4.403 4.740 -0.568 0.000 0.183 59 N C 2.315 177.755 175.510 -0.116 0.000 1.029 59 N CA 1.734 54.698 53.050 -0.142 0.000 0.857 59 N CB -0.564 37.836 38.487 -0.146 0.000 1.008 59 N HN 0.335 nan 8.380 nan 0.000 0.433 60 T N 0.160 114.613 114.554 -0.168 0.000 2.867 60 T HA -0.066 3.943 4.350 -0.568 0.000 0.268 60 T C 0.105 174.822 174.700 0.028 0.000 1.057 60 T CA 1.345 63.398 62.100 -0.078 0.000 1.136 60 T CB -0.210 68.604 68.868 -0.090 0.000 0.874 60 T HN 0.625 nan 8.240 nan 0.000 0.466 61 H N -1.401 117.660 119.070 -0.014 0.000 3.037 61 H HA 0.572 4.787 4.556 -0.568 0.000 0.336 61 H C -1.147 174.193 175.328 0.020 0.000 1.323 61 H CA -1.106 54.951 56.048 0.014 0.000 1.159 61 H CB 0.513 30.296 29.762 0.035 0.000 1.882 61 H HN -0.040 nan 8.280 nan 0.000 0.535 62 E N 0.938 121.256 120.200 0.196 0.000 2.493 62 E HA 0.049 4.058 4.350 -0.568 0.000 0.255 62 E C -0.789 175.912 176.600 0.168 0.000 0.999 62 E CA 0.455 56.918 56.400 0.105 0.000 0.934 62 E CB 0.358 30.120 29.700 0.102 0.000 0.940 62 E HN 0.497 nan 8.360 nan 0.000 0.473 63 D N 2.529 122.875 120.400 -0.089 0.000 2.585 63 D HA 0.423 4.722 4.640 -0.568 0.000 0.254 63 D C -1.409 174.542 176.300 -0.581 0.000 1.067 63 D CA -0.637 53.254 54.000 -0.181 0.000 1.090 63 D CB 1.274 41.990 40.800 -0.139 0.000 1.408 63 D HN 0.354 nan 8.370 nan 0.000 0.554 64 N N 0.750 119.031 118.700 -0.699 0.000 2.493 64 N HA 0.059 4.458 4.740 -0.568 0.000 0.279 64 N C 0.633 175.909 175.510 -0.389 0.000 1.082 64 N CA -0.667 51.888 53.050 -0.825 0.000 0.963 64 N CB 0.756 38.187 38.487 -1.761 0.000 1.627 64 N HN 0.636 nan 8.380 nan 0.000 0.499 65 W N 3.414 124.615 121.300 -0.165 0.000 2.421 65 W HA 0.005 4.324 4.660 -0.569 0.000 0.270 65 W C 0.436 177.016 176.519 0.103 0.000 1.233 65 W CA 0.571 57.926 57.345 0.018 0.000 1.226 65 W CB -0.276 29.187 29.460 0.005 0.000 1.121 65 W HN 0.562 nan 8.180 nan 0.000 0.579 66 E N 0.173 119.929 120.200 -0.741 0.000 2.152 66 E HA -0.162 3.847 4.350 -0.568 0.000 0.192 66 E C 1.958 178.633 176.600 0.124 0.000 0.983 66 E CA 1.519 57.672 56.400 -0.412 0.000 0.818 66 E CB -0.548 28.881 29.700 -0.453 0.000 0.758 66 E HN 0.187 nan 8.360 nan 0.000 0.467 67 W N 0.710 121.838 121.300 -0.287 0.000 2.363 67 W HA -0.131 4.189 4.660 -0.567 0.000 0.296 67 W C 2.103 178.647 176.519 0.041 0.000 1.212 67 W CA 0.882 58.043 57.345 -0.306 0.000 1.260 67 W CB -1.297 27.966 29.460 -0.328 0.000 1.131 67 W HN 0.333 nan 8.180 nan 0.000 0.530 68 H N -0.594 118.613 119.070 0.229 0.000 2.389 68 H HA -0.154 4.060 4.556 -0.569 0.000 0.299 68 H C 2.290 177.736 175.328 0.197 0.000 1.081 68 H CA 1.575 57.744 56.048 0.200 0.000 1.345 68 H CB -0.088 29.787 29.762 0.187 0.000 1.393 68 H HN 0.041 nan 8.280 nan 0.000 0.520 69 M N 0.097 119.820 119.600 0.205 0.000 2.117 69 M HA -0.226 3.913 4.480 -0.568 0.000 0.262 69 M C 2.164 178.463 176.300 -0.001 0.000 1.065 69 M CA 1.709 57.099 55.300 0.151 0.000 1.114 69 M CB -0.318 32.532 32.600 0.416 0.000 1.361 69 M HN 0.360 nan 8.290 nan 0.000 0.408 70 Y N 1.398 121.581 120.300 -0.195 0.000 2.097 70 Y HA -0.314 3.895 4.550 -0.569 0.000 0.282 70 Y C 1.846 177.567 175.900 -0.299 0.000 1.152 70 Y CA 2.320 60.052 58.100 -0.614 0.000 1.136 70 Y CB -0.511 37.774 38.460 -0.291 0.000 0.975 70 Y HN 0.340 nan 8.280 nan 0.000 0.498 71 D N -0.653 119.763 120.400 0.026 0.000 2.149 71 D HA -0.170 4.129 4.640 -0.568 0.000 0.198 71 D C 2.083 178.338 176.300 -0.075 0.000 0.990 71 D CA 2.037 56.046 54.000 0.015 0.000 0.839 71 D CB -0.428 40.498 40.800 0.210 0.000 0.948 71 D HN 0.428 nan 8.370 nan 0.000 0.460 72 T N 0.497 115.014 114.554 -0.062 0.000 2.770 72 T HA -0.061 3.948 4.350 -0.568 0.000 0.263 72 T C 2.324 176.931 174.700 -0.154 0.000 1.039 72 T CA 0.609 62.671 62.100 -0.063 0.000 1.142 72 T CB -0.309 68.511 68.868 -0.080 0.000 0.868 72 T HN -0.038 nan 8.240 nan 0.000 0.435 73 V N 1.897 121.664 119.914 -0.245 0.000 2.287 73 V HA -0.199 3.580 4.120 -0.568 0.000 0.248 73 V C 2.524 178.245 176.094 -0.621 0.000 1.053 73 V CA 1.850 63.962 62.300 -0.312 0.000 1.027 73 V CB -0.563 31.118 31.823 -0.236 0.000 0.646 73 V HN 0.460 nan 8.190 nan 0.000 0.447 74 K N 0.350 120.292 120.400 -0.763 0.000 2.057 74 K HA -0.136 3.843 4.320 -0.568 0.000 0.207 74 K C 2.156 178.482 176.600 -0.456 0.000 1.049 74 K CA 1.685 57.459 56.287 -0.854 0.000 0.931 74 K CB -0.634 31.410 32.500 -0.759 0.000 0.714 74 K HN 0.464 nan 8.250 nan 0.000 0.440 75 G N 0.465 109.132 108.800 -0.223 0.000 2.422 75 G HA2 -0.269 3.350 3.960 -0.568 0.000 0.218 75 G HA3 -0.269 3.350 3.960 -0.568 0.000 0.218 75 G C 1.433 176.313 174.900 -0.032 0.000 1.146 75 G CA 1.078 46.169 45.100 -0.016 0.000 0.769 75 G HN 0.510 nan 8.290 nan 0.000 0.547 76 S N -0.153 115.489 115.700 -0.097 0.000 2.607 76 S HA 0.050 4.179 4.470 -0.568 0.000 0.224 76 S C 1.038 175.610 174.600 -0.048 0.000 0.969 76 S CA 0.947 59.126 58.200 -0.034 0.000 0.927 76 S CB -0.000 63.189 63.200 -0.018 0.000 0.772 76 S HN 0.309 nan 8.310 nan 0.000 0.533 77 D N 0.442 120.761 120.400 -0.135 0.000 2.911 77 D HA -0.264 4.035 4.640 -0.568 0.000 0.227 77 D C -0.573 175.801 176.300 0.124 0.000 1.164 77 D CA 1.045 55.035 54.000 -0.017 0.000 0.782 77 D CB -2.019 38.839 40.800 0.098 0.000 1.094 77 D HN 0.675 nan 8.370 nan 0.000 0.425 78 Y N -3.399 116.908 120.300 0.012 0.000 4.644 78 Y HA -0.317 3.891 4.550 -0.569 0.000 0.241 78 Y C 1.546 177.447 175.900 0.002 0.000 1.077 78 Y CA 1.079 59.188 58.100 0.015 0.000 2.080 78 Y CB -2.360 36.111 38.460 0.019 0.000 1.613 78 Y HN 0.481 nan 8.280 nan 0.000 0.686 79 I N -2.486 118.126 120.570 0.069 0.000 4.081 79 I HA 0.563 4.393 4.170 -0.568 0.000 0.333 79 I C 1.149 177.254 176.117 -0.020 0.000 1.413 79 I CA 0.093 61.363 61.300 -0.049 0.000 1.110 79 I CB 0.445 38.375 38.000 -0.116 0.000 1.082 79 I HN 0.150 nan 8.210 nan 0.000 0.402 80 G N 1.547 110.380 108.800 0.055 0.000 2.370 80 G HA2 0.191 3.810 3.960 -0.568 0.000 0.272 80 G HA3 0.191 3.810 3.960 -0.568 0.000 0.272 80 G C -0.643 174.330 174.900 0.122 0.000 1.208 80 G CA -0.308 44.850 45.100 0.098 0.000 0.856 80 G HN 0.185 nan 8.290 nan 0.000 0.500 81 D N 2.245 122.738 120.400 0.156 0.000 2.412 81 D HA 0.002 4.301 4.640 -0.568 0.000 0.257 81 D C 1.447 177.823 176.300 0.126 0.000 1.217 81 D CA 0.360 54.447 54.000 0.144 0.000 0.897 81 D CB 1.426 42.293 40.800 0.110 0.000 1.132 81 D HN 0.506 nan 8.370 nan 0.000 0.493 82 Q N 1.484 121.371 119.800 0.146 0.000 2.230 82 Q HA -0.132 3.867 4.340 -0.568 0.000 0.202 82 Q C 1.365 177.473 176.000 0.180 0.000 0.963 82 Q CA 0.856 56.766 55.803 0.180 0.000 0.866 82 Q CB 0.221 29.085 28.738 0.210 0.000 0.931 82 Q HN 0.542 nan 8.270 nan 0.000 0.452 83 D N 0.468 120.955 120.400 0.144 0.000 2.183 83 D HA -0.111 4.188 4.640 -0.568 0.000 0.203 83 D C 1.651 178.047 176.300 0.161 0.000 0.969 83 D CA 1.272 55.354 54.000 0.138 0.000 0.842 83 D CB -0.139 40.717 40.800 0.093 0.000 0.957 83 D HN 0.145 nan 8.370 nan 0.000 0.484 84 A N 0.983 123.892 122.820 0.149 0.000 1.897 84 A HA 0.057 4.036 4.320 -0.568 0.000 0.215 84 A C 2.545 180.302 177.584 0.288 0.000 1.181 84 A CA 0.794 52.956 52.037 0.209 0.000 0.620 84 A CB -0.700 18.358 19.000 0.097 0.000 0.821 84 A HN 0.233 nan 8.150 nan 0.000 0.443 85 I N -0.341 120.345 120.570 0.193 0.000 2.286 85 I HA -0.265 3.564 4.170 -0.568 0.000 0.248 85 I C 2.551 178.775 176.117 0.179 0.000 1.115 85 I CA 1.782 63.177 61.300 0.158 0.000 1.392 85 I CB -0.338 37.728 38.000 0.111 0.000 1.065 85 I HN 0.556 nan 8.210 nan 0.000 0.418 86 E N 0.770 121.107 120.200 0.228 0.000 2.058 86 E HA -0.308 3.701 4.350 -0.568 0.000 0.194 86 E C 2.303 178.942 176.600 0.065 0.000 0.997 86 E CA 1.573 58.120 56.400 0.246 0.000 0.801 86 E CB -0.260 29.603 29.700 0.272 0.000 0.746 86 E HN 0.516 nan 8.360 nan 0.000 0.450 87 Y N 0.746 121.037 120.300 -0.015 0.000 2.181 87 Y HA -0.240 3.969 4.550 -0.569 0.000 0.288 87 Y C 2.367 178.156 175.900 -0.184 0.000 1.146 87 Y CA 2.233 60.270 58.100 -0.105 0.000 1.164 87 Y CB -0.168 38.273 38.460 -0.031 0.000 0.982 87 Y HN 0.089 nan 8.280 nan 0.000 0.515 88 M N -1.046 118.557 119.600 0.005 0.000 2.077 88 M HA -0.239 3.900 4.480 -0.568 0.000 0.261 88 M C 2.130 178.345 176.300 -0.142 0.000 1.070 88 M CA 2.300 57.523 55.300 -0.130 0.000 1.125 88 M CB -0.547 32.090 32.600 0.063 0.000 1.339 88 M HN 0.441 nan 8.290 nan 0.000 0.409 89 C N 0.339 119.600 119.300 -0.065 0.000 2.440 89 C HA -0.094 4.025 4.460 -0.568 0.000 0.278 89 C C 2.626 177.576 174.990 -0.066 0.000 1.295 89 C CA 1.148 60.196 59.018 0.050 0.000 1.738 89 C CB -1.037 26.785 27.740 0.137 0.000 1.987 89 C HN 0.580 nan 8.230 nan 0.000 0.492 90 K N 1.318 121.459 120.400 -0.432 0.000 2.057 90 K HA -0.095 3.885 4.320 -0.568 0.000 0.206 90 K C 1.794 178.041 176.600 -0.590 0.000 1.050 90 K CA 2.017 57.755 56.287 -0.915 0.000 0.935 90 K CB -0.681 31.085 32.500 -1.223 0.000 0.715 90 K HN 0.381 nan 8.250 nan 0.000 0.439 91 T N -0.115 114.101 114.554 -0.563 0.000 3.023 91 T HA 0.065 4.074 4.350 -0.568 0.000 0.266 91 T C 1.608 176.117 174.700 -0.318 0.000 1.093 91 T CA 0.713 62.508 62.100 -0.508 0.000 1.129 91 T CB -0.473 67.929 68.868 -0.778 0.000 0.899 91 T HN 0.479 nan 8.240 nan 0.000 0.491 92 G N 2.943 111.600 108.800 -0.238 0.000 2.719 92 G HA2 -0.255 3.364 3.960 -0.568 0.000 0.219 92 G HA3 -0.255 3.364 3.960 -0.568 0.000 0.219 92 G C -0.675 174.153 174.900 -0.119 0.000 1.234 92 G CA 1.092 46.119 45.100 -0.122 0.000 0.788 92 G HN 0.372 nan 8.290 nan 0.000 0.619 93 P HA -0.157 nan 4.420 nan 0.000 0.217 93 P C 1.701 178.920 177.300 -0.136 0.000 1.162 93 P CA 1.867 64.893 63.100 -0.123 0.000 0.901 93 P CB -0.144 31.489 31.700 -0.111 0.000 0.793 94 E N -0.577 119.538 120.200 -0.142 0.000 2.085 94 E HA -0.227 3.782 4.350 -0.568 0.000 0.194 94 E C 1.920 178.448 176.600 -0.120 0.000 0.994 94 E CA 1.413 57.736 56.400 -0.130 0.000 0.801 94 E CB -0.563 29.057 29.700 -0.132 0.000 0.743 94 E HN 0.080 nan 8.360 nan 0.000 0.453 95 A N 0.944 123.690 122.820 -0.122 0.000 1.972 95 A HA -0.139 3.840 4.320 -0.568 0.000 0.219 95 A C 2.052 179.598 177.584 -0.063 0.000 1.169 95 A CA 1.137 53.119 52.037 -0.092 0.000 0.635 95 A CB -0.310 18.629 19.000 -0.102 0.000 0.810 95 A HN 0.311 nan 8.150 nan 0.000 0.446 96 I N -0.316 120.210 120.570 -0.073 0.000 2.400 96 I HA -0.085 3.744 4.170 -0.568 0.000 0.248 96 I C 2.352 178.426 176.117 -0.072 0.000 1.109 96 I CA 0.776 62.053 61.300 -0.038 0.000 1.425 96 I CB -1.389 36.571 38.000 -0.067 0.000 1.094 96 I HN 0.263 nan 8.210 nan 0.000 0.425 97 L N 0.522 121.646 121.223 -0.165 0.000 2.127 97 L HA -0.220 3.779 4.340 -0.568 0.000 0.211 97 L C 2.489 179.150 176.870 -0.348 0.000 1.089 97 L CA 1.307 55.981 54.840 -0.276 0.000 0.757 97 L CB -0.498 41.388 42.059 -0.289 0.000 0.899 97 L HN 0.332 nan 8.230 nan 0.000 0.434 98 E N 0.570 120.658 120.200 -0.186 0.000 2.110 98 E HA -0.206 3.803 4.350 -0.568 0.000 0.193 98 E C 2.338 178.925 176.600 -0.021 0.000 0.988 98 E CA 0.835 57.180 56.400 -0.093 0.000 0.804 98 E CB 0.039 29.716 29.700 -0.037 0.000 0.745 98 E HN 0.479 nan 8.360 nan 0.000 0.458 99 L N 0.884 122.114 121.223 0.010 0.000 2.093 99 L HA -0.145 3.854 4.340 -0.568 0.000 0.208 99 L C 2.771 179.706 176.870 0.108 0.000 1.085 99 L CA 0.969 55.849 54.840 0.067 0.000 0.755 99 L CB -0.463 41.661 42.059 0.109 0.000 0.904 99 L HN 0.199 nan 8.230 nan 0.000 0.435 100 E N 0.383 120.673 120.200 0.149 0.000 2.110 100 E HA -0.232 3.777 4.350 -0.568 0.000 0.193 100 E C 1.944 178.639 176.600 0.159 0.000 0.988 100 E CA 1.525 58.046 56.400 0.201 0.000 0.804 100 E CB -0.088 29.694 29.700 0.135 0.000 0.745 100 E HN 0.636 nan 8.360 nan 0.000 0.458 101 H N -0.942 118.168 119.070 0.066 0.000 2.521 101 H HA 0.042 4.257 4.556 -0.568 0.000 0.286 101 H C 1.998 177.338 175.328 0.021 0.000 1.034 101 H CA 0.620 56.688 56.048 0.032 0.000 1.278 101 H CB 0.134 29.904 29.762 0.014 0.000 1.386 101 H HN 0.151 nan 8.280 nan 0.000 0.567 102 M N -0.793 118.887 119.600 0.134 0.000 2.492 102 M HA 0.052 4.192 4.480 -0.568 0.000 0.262 102 M C 1.361 177.688 176.300 0.045 0.000 1.090 102 M CA 1.012 56.351 55.300 0.065 0.000 1.110 102 M CB 0.822 33.442 32.600 0.034 0.000 1.407 102 M HN 0.522 nan 8.290 nan 0.000 0.470 103 G N 1.136 109.974 108.800 0.063 0.000 2.175 103 G HA2 -0.182 3.437 3.960 -0.568 0.000 0.182 103 G HA3 -0.182 3.437 3.960 -0.568 0.000 0.182 103 G C -0.084 174.822 174.900 0.010 0.000 1.003 103 G CA -0.596 44.529 45.100 0.042 0.000 0.666 103 G HN 0.384 nan 8.290 nan 0.000 0.506 104 L N 2.154 123.367 121.223 -0.017 0.000 2.559 104 L HA 0.374 4.373 4.340 -0.568 0.000 0.274 104 L C -1.505 175.268 176.870 -0.161 0.000 1.205 104 L CA -1.121 53.627 54.840 -0.153 0.000 0.907 104 L CB 0.771 42.649 42.059 -0.303 0.000 1.153 104 L HN -0.055 nan 8.230 nan 0.000 0.490 105 P HA 0.145 nan 4.420 nan 0.000 0.225 105 P C -0.810 176.447 177.300 -0.071 0.000 1.813 105 P CA -0.179 62.882 63.100 -0.065 0.000 1.013 105 P CB -0.308 31.368 31.700 -0.040 0.000 1.961 106 F N 0.356 120.326 119.950 0.033 0.000 2.553 106 F HA 0.046 4.232 4.527 -0.569 0.000 0.356 106 F C 1.625 177.454 175.800 0.049 0.000 1.142 106 F CA 0.666 58.691 58.000 0.043 0.000 1.322 106 F CB 0.201 39.221 39.000 0.034 0.000 1.126 106 F HN 0.049 nan 8.300 nan 0.000 0.599 107 S N 2.921 118.798 115.700 0.294 0.000 2.589 107 S HA 0.411 4.540 4.470 -0.568 0.000 0.265 107 S C 0.002 174.721 174.600 0.198 0.000 1.342 107 S CA -0.688 57.612 58.200 0.166 0.000 1.005 107 S CB 0.521 63.766 63.200 0.075 0.000 0.909 107 S HN 0.320 nan 8.310 nan 0.000 0.555 108 R N 0.934 121.499 120.500 0.108 0.000 2.686 108 R HA 0.484 4.483 4.340 -0.568 0.000 0.286 108 R C -0.563 175.799 176.300 0.104 0.000 0.969 108 R CA -0.632 55.534 56.100 0.110 0.000 0.898 108 R CB 0.868 31.211 30.300 0.072 0.000 1.183 108 R HN 0.519 nan 8.270 nan 0.000 0.456 109 L N 1.277 122.573 121.223 0.121 0.000 2.479 109 L HA 0.110 4.109 4.340 -0.568 0.000 0.248 109 L C 1.271 178.177 176.870 0.061 0.000 1.205 109 L CA -0.373 54.532 54.840 0.109 0.000 0.817 109 L CB 0.425 42.540 42.059 0.093 0.000 1.162 109 L HN 0.470 nan 8.230 nan 0.000 0.486 110 D N 0.268 120.700 120.400 0.052 0.000 2.178 110 D HA -0.168 4.131 4.640 -0.568 0.000 0.201 110 D C 1.278 177.595 176.300 0.029 0.000 0.980 110 D CA 1.337 55.358 54.000 0.035 0.000 0.842 110 D CB -0.192 40.627 40.800 0.032 0.000 0.948 110 D HN 0.628 nan 8.370 nan 0.000 0.472 111 D N -1.415 119.003 120.400 0.030 0.000 2.349 111 D HA 0.129 4.429 4.640 -0.568 0.000 0.224 111 D C 1.516 177.829 176.300 0.021 0.000 1.029 111 D CA 0.802 54.816 54.000 0.022 0.000 0.879 111 D CB 0.003 40.813 40.800 0.017 0.000 0.906 111 D HN 0.211 nan 8.370 nan 0.000 0.528 112 G N -0.221 108.595 108.800 0.028 0.000 2.195 112 G HA2 -0.275 3.344 3.960 -0.568 0.000 0.224 112 G HA3 -0.275 3.344 3.960 -0.568 0.000 0.224 112 G C 0.386 175.303 174.900 0.028 0.000 0.990 112 G CA -0.205 44.913 45.100 0.030 0.000 0.639 112 G HN 0.419 nan 8.290 nan 0.000 0.514 113 R N -0.160 120.350 120.500 0.017 0.000 2.649 113 R HA 0.594 4.594 4.340 -0.568 0.000 0.270 113 R C 0.908 177.205 176.300 -0.006 0.000 1.105 113 R CA -0.599 55.495 56.100 -0.010 0.000 1.193 113 R CB 0.634 30.916 30.300 -0.032 0.000 1.120 113 R HN 0.273 nan 8.270 nan 0.000 0.561 114 I N 2.007 122.530 120.570 -0.078 0.000 2.683 114 I HA -0.115 3.714 4.170 -0.568 0.000 0.286 114 I C 0.168 176.258 176.117 -0.045 0.000 1.175 114 I CA 0.220 61.450 61.300 -0.117 0.000 1.429 114 I CB 0.002 37.739 38.000 -0.438 0.000 1.371 114 I HN 0.457 nan 8.210 nan 0.000 0.569 115 Y N 7.295 127.565 120.300 -0.050 0.000 2.442 115 Y HA 0.170 4.379 4.550 -0.569 0.000 0.330 115 Y C -0.255 175.623 175.900 -0.036 0.000 1.129 115 Y CA -0.112 57.977 58.100 -0.018 0.000 1.365 115 Y CB 0.447 38.926 38.460 0.032 0.000 1.233 115 Y HN 0.493 nan 8.280 nan 0.000 0.529 116 Q N 6.826 126.160 119.800 -0.778 0.000 2.340 116 Q HA 0.419 4.418 4.340 -0.568 0.000 0.268 116 Q C -1.103 174.395 176.000 -0.836 0.000 1.031 116 Q CA -1.122 54.286 55.803 -0.658 0.000 0.804 116 Q CB 2.278 30.793 28.738 -0.372 0.000 1.286 116 Q HN 0.770 nan 8.270 nan 0.000 0.448 117 R N 0.929 121.112 120.500 -0.528 0.000 2.732 117 R HA 0.693 4.692 4.340 -0.568 0.000 0.278 117 R C -2.811 173.505 176.300 0.028 0.000 0.976 117 R CA -2.204 53.776 56.100 -0.199 0.000 0.963 117 R CB 0.559 30.908 30.300 0.081 0.000 1.150 117 R HN 0.188 nan 8.270 nan 0.000 0.478 118 P HA 0.077 nan 4.420 nan 0.000 0.269 118 P C -1.294 176.178 177.300 0.286 0.000 1.215 118 P CA 0.126 63.315 63.100 0.147 0.000 0.780 118 P CB 0.306 32.064 31.700 0.097 0.000 0.898 119 F N -0.394 119.559 119.950 0.004 0.000 2.745 119 F HA 0.533 4.723 4.527 -0.561 0.000 0.316 119 F C 0.430 176.223 175.800 -0.011 0.000 1.155 119 F CA -0.480 57.519 58.000 -0.002 0.000 0.937 119 F CB 1.163 40.162 39.000 -0.002 0.000 1.361 119 F HN 0.289 nan 8.300 nan 0.000 0.472 120 G N 0.348 109.119 108.800 -0.049 0.000 2.398 120 G HA2 0.419 4.038 3.960 -0.568 0.000 0.246 120 G HA3 0.419 4.038 3.960 -0.568 0.000 0.246 120 G C 0.583 175.509 174.900 0.043 0.000 1.289 120 G CA 0.296 45.353 45.100 -0.071 0.000 0.869 120 G HN 1.663 nan 8.290 nan 0.000 0.543 121 G N 0.853 109.662 108.800 0.015 0.000 2.298 121 G HA2 -0.209 3.410 3.960 -0.568 0.000 0.287 121 G HA3 -0.209 3.410 3.960 -0.568 0.000 0.287 121 G C 0.077 175.075 174.900 0.163 0.000 1.075 121 G CA 0.367 45.539 45.100 0.120 0.000 0.960 121 G HN 0.871 nan 8.290 nan 0.000 0.502 122 Q N -0.136 119.750 119.800 0.144 0.000 2.310 122 Q HA 0.632 4.631 4.340 -0.568 0.000 0.270 122 Q C -0.160 175.902 176.000 0.103 0.000 1.025 122 Q CA -0.112 55.775 55.803 0.141 0.000 0.772 122 Q CB 2.240 31.061 28.738 0.138 0.000 1.253 122 Q HN 0.775 nan 8.270 nan 0.000 0.450 123 S N 1.542 117.293 115.700 0.086 0.000 2.618 123 S HA 0.647 4.776 4.470 -0.568 0.000 0.277 123 S C -0.996 173.505 174.600 -0.166 0.000 1.138 123 S CA -1.086 57.097 58.200 -0.028 0.000 0.844 123 S CB 2.052 65.243 63.200 -0.015 0.000 1.127 123 S HN 0.412 nan 8.310 nan 0.000 0.474 124 K N 0.687 120.853 120.400 -0.391 0.000 2.123 124 K HA 0.509 4.488 4.320 -0.568 0.000 0.248 124 K C -0.552 175.279 176.600 -1.281 0.000 0.969 124 K CA -0.857 54.868 56.287 -0.936 0.000 0.882 124 K CB 0.356 32.395 32.500 -0.767 0.000 1.080 124 K HN 0.801 nan 8.250 nan 0.000 0.441 125 N N 0.991 118.237 118.700 -2.424 0.000 2.727 125 N HA -0.210 4.189 4.740 -0.568 0.000 0.249 125 N C -1.304 173.754 175.510 -0.753 0.000 1.048 125 N CA 0.577 52.796 53.050 -1.384 0.000 0.714 125 N CB -1.654 36.453 38.487 -0.634 0.000 0.959 125 N HN 0.605 nan 8.380 nan 0.000 0.544 126 F N -1.768 117.680 119.950 -0.837 0.000 2.695 126 F HA -0.137 4.048 4.527 -0.569 0.000 0.305 126 F C 1.435 176.635 175.800 -0.999 0.000 1.044 126 F CA 1.033 58.407 58.000 -1.042 0.000 1.049 126 F CB -1.768 36.766 39.000 -0.778 0.000 1.267 126 F HN 0.501 nan 8.300 nan 0.000 0.828 127 G N -0.759 107.777 108.800 -0.439 0.000 2.131 127 G HA2 0.121 3.741 3.960 -0.568 0.000 0.223 127 G HA3 0.121 3.741 3.960 -0.568 0.000 0.223 127 G C 0.730 175.568 174.900 -0.104 0.000 0.990 127 G CA -0.035 45.032 45.100 -0.055 0.000 0.671 127 G HN 1.401 nan 8.290 nan 0.000 0.521 128 G N -0.681 107.988 108.800 -0.218 0.000 2.975 128 G HA2 0.551 4.170 3.960 -0.568 0.000 0.159 128 G HA3 0.551 4.170 3.960 -0.568 0.000 0.159 128 G C 0.229 175.033 174.900 -0.160 0.000 1.525 128 G CA 0.309 45.291 45.100 -0.197 0.000 1.075 128 G HN 0.566 nan 8.290 nan 0.000 0.574 129 E N -0.085 120.003 120.200 -0.187 0.000 2.436 129 E HA 0.075 4.084 4.350 -0.568 0.000 0.262 129 E C 0.173 176.690 176.600 -0.138 0.000 1.063 129 E CA -0.186 56.125 56.400 -0.147 0.000 0.944 129 E CB 0.445 30.047 29.700 -0.163 0.000 0.950 129 E HN 0.301 nan 8.360 nan 0.000 0.444 130 Q N 1.498 121.245 119.800 -0.087 0.000 2.315 130 Q HA 0.173 4.172 4.340 -0.568 0.000 0.289 130 Q C -1.334 174.617 176.000 -0.082 0.000 1.044 130 Q CA 0.478 56.251 55.803 -0.051 0.000 0.920 130 Q CB 0.985 29.711 28.738 -0.021 0.000 1.214 130 Q HN 0.484 nan 8.270 nan 0.000 0.392 131 A N 2.869 125.684 122.820 -0.007 0.000 2.309 131 A HA 0.907 4.886 4.320 -0.568 0.000 0.317 131 A C -1.128 176.567 177.584 0.185 0.000 1.134 131 A CA -0.294 51.791 52.037 0.080 0.000 0.866 131 A CB 1.503 20.614 19.000 0.185 0.000 1.329 131 A HN 1.022 nan 8.150 nan 0.000 0.477 132 A N 0.606 123.655 122.820 0.381 0.000 2.855 132 A HA 0.564 4.543 4.320 -0.568 0.000 0.313 132 A C -0.002 177.582 177.584 -0.001 0.000 1.173 132 A CA -0.416 51.715 52.037 0.157 0.000 0.753 132 A CB 0.096 19.168 19.000 0.119 0.000 1.200 132 A HN 1.038 nan 8.150 nan 0.000 0.442 133 R N 0.242 120.712 120.500 -0.051 0.000 2.659 133 R HA 0.249 4.248 4.340 -0.568 0.000 0.418 133 R C -0.841 175.331 176.300 -0.213 0.000 1.076 133 R CA -0.125 55.871 56.100 -0.174 0.000 1.093 133 R CB 0.138 30.332 30.300 -0.177 0.000 1.400 133 R HN 0.241 nan 8.270 nan 0.000 0.583 134 T N 1.769 116.203 114.554 -0.200 0.000 2.891 134 T HA 0.429 4.438 4.350 -0.568 0.000 0.315 134 T C 0.162 174.731 174.700 -0.217 0.000 1.054 134 T CA -0.287 61.654 62.100 -0.266 0.000 0.958 134 T CB 1.019 69.626 68.868 -0.435 0.000 1.008 134 T HN 0.413 nan 8.240 nan 0.000 0.521 135 A N 3.199 125.909 122.820 -0.182 0.000 2.488 135 A HA 0.668 4.648 4.320 -0.568 0.000 0.249 135 A C 0.514 178.172 177.584 0.124 0.000 1.083 135 A CA -0.427 51.541 52.037 -0.113 0.000 0.768 135 A CB -0.005 18.833 19.000 -0.269 0.000 1.017 135 A HN 0.987 nan 8.150 nan 0.000 0.496 136 A N 1.394 124.382 122.820 0.279 0.000 2.556 136 A HA 0.791 4.770 4.320 -0.568 0.000 0.294 136 A C -0.250 177.562 177.584 0.380 0.000 1.091 136 A CA 0.016 52.244 52.037 0.319 0.000 0.704 136 A CB 1.342 20.497 19.000 0.257 0.000 1.300 136 A HN 2.262 nan 8.150 nan 0.000 0.406 137 A N 1.190 124.124 122.820 0.190 0.000 2.654 137 A HA 0.766 4.745 4.320 -0.568 0.000 0.345 137 A C 0.857 178.485 177.584 0.073 0.000 1.368 137 A CA 0.814 52.910 52.037 0.099 0.000 0.895 137 A CB -1.040 17.936 19.000 -0.040 0.000 1.143 137 A HN 2.842 nan 8.150 nan 0.000 0.490 138 A N 2.094 124.957 122.820 0.072 0.000 5.382 138 A HA -0.243 3.736 4.320 -0.568 0.000 0.307 138 A C 0.685 178.317 177.584 0.080 0.000 1.937 138 A CA 1.636 53.696 52.037 0.038 0.000 0.715 138 A CB -1.377 17.626 19.000 0.005 0.000 1.293 138 A HN 1.581 nan 8.150 nan 0.000 0.374 139 D N -0.459 119.974 120.400 0.055 0.000 2.788 139 D HA 0.399 4.698 4.640 -0.568 0.000 0.289 139 D C 0.447 176.776 176.300 0.048 0.000 1.340 139 D CA -0.000 54.042 54.000 0.071 0.000 0.831 139 D CB -0.176 40.663 40.800 0.066 0.000 1.103 139 D HN 0.586 nan 8.370 nan 0.000 0.476 140 R N -0.322 120.204 120.500 0.044 0.000 2.690 140 R HA 0.207 4.206 4.340 -0.568 0.000 0.419 140 R C 0.658 177.006 176.300 0.080 0.000 1.090 140 R CA -0.135 55.994 56.100 0.048 0.000 1.064 140 R CB 0.448 30.747 30.300 -0.001 0.000 1.391 140 R HN -0.015 nan 8.270 nan 0.000 0.586 141 T N 0.132 114.718 114.554 0.054 0.000 2.684 141 T HA -0.162 3.847 4.350 -0.568 0.000 0.267 141 T C 2.002 176.710 174.700 0.013 0.000 1.036 141 T CA 1.972 64.082 62.100 0.017 0.000 1.148 141 T CB -0.152 68.734 68.868 0.031 0.000 0.863 141 T HN 0.558 nan 8.240 nan 0.000 0.436 142 G N 0.469 109.292 108.800 0.037 0.000 2.440 142 G HA2 -0.307 3.312 3.960 -0.568 0.000 0.218 142 G HA3 -0.307 3.312 3.960 -0.568 0.000 0.218 142 G C 1.261 176.194 174.900 0.055 0.000 1.154 142 G CA 1.410 46.525 45.100 0.026 0.000 0.767 142 G HN 0.671 nan 8.290 nan 0.000 0.552 143 H N 0.997 120.078 119.070 0.019 0.000 2.321 143 H HA 0.117 4.332 4.556 -0.568 0.000 0.300 143 H C 2.679 178.078 175.328 0.117 0.000 1.087 143 H CA 2.105 58.210 56.048 0.095 0.000 1.319 143 H CB -0.271 29.532 29.762 0.068 0.000 1.379 143 H HN 0.279 nan 8.280 nan 0.000 0.501 144 A N 0.684 123.537 122.820 0.054 0.000 1.902 144 A HA -0.117 3.862 4.320 -0.568 0.000 0.217 144 A C 2.418 179.938 177.584 -0.108 0.000 1.181 144 A CA 1.598 53.599 52.037 -0.059 0.000 0.623 144 A CB -0.973 17.970 19.000 -0.095 0.000 0.818 144 A HN 0.509 nan 8.150 nan 0.000 0.443 145 L N -0.847 120.317 121.223 -0.099 0.000 1.994 145 L HA -0.112 3.887 4.340 -0.568 0.000 0.208 145 L C 2.259 179.093 176.870 -0.061 0.000 1.071 145 L CA 2.131 56.919 54.840 -0.087 0.000 0.745 145 L CB -0.715 41.310 42.059 -0.055 0.000 0.892 145 L HN 0.306 nan 8.230 nan 0.000 0.431 146 L N -0.601 120.580 121.223 -0.069 0.000 2.012 146 L HA -0.251 3.749 4.340 -0.568 0.000 0.210 146 L C 2.681 179.476 176.870 -0.126 0.000 1.073 146 L CA 1.927 56.702 54.840 -0.108 0.000 0.748 146 L CB -0.990 40.975 42.059 -0.157 0.000 0.891 146 L HN 0.436 nan 8.230 nan 0.000 0.431 147 H N -1.411 117.570 119.070 -0.149 0.000 2.387 147 H HA -0.115 4.100 4.556 -0.569 0.000 0.299 147 H C 2.018 177.335 175.328 -0.018 0.000 1.090 147 H CA 1.895 57.887 56.048 -0.093 0.000 1.332 147 H CB -0.245 29.378 29.762 -0.232 0.000 1.386 147 H HN 0.388 nan 8.280 nan 0.000 0.516 148 T N 1.432 116.016 114.554 0.050 0.000 2.746 148 T HA -0.106 3.903 4.350 -0.568 0.000 0.267 148 T C 2.427 177.129 174.700 0.004 0.000 1.039 148 T CA 0.767 62.874 62.100 0.012 0.000 1.142 148 T CB -0.296 68.552 68.868 -0.033 0.000 0.866 148 T HN 0.191 nan 8.240 nan 0.000 0.444 149 L N -0.506 120.716 121.223 -0.002 0.000 2.093 149 L HA -0.061 3.939 4.340 -0.568 0.000 0.208 149 L C 2.383 179.250 176.870 -0.005 0.000 1.085 149 L CA 1.341 56.175 54.840 -0.011 0.000 0.755 149 L CB -0.503 41.547 42.059 -0.016 0.000 0.904 149 L HN 0.266 nan 8.230 nan 0.000 0.435 150 Y N 0.945 121.178 120.300 -0.112 0.000 2.200 150 Y HA -0.274 3.936 4.550 -0.568 0.000 0.290 150 Y C 2.636 178.487 175.900 -0.081 0.000 1.137 150 Y CA 1.553 59.575 58.100 -0.130 0.000 1.163 150 Y CB -0.221 38.128 38.460 -0.184 0.000 0.988 150 Y HN 0.187 nan 8.280 nan 0.000 0.518 151 Q N -0.518 119.244 119.800 -0.063 0.000 2.124 151 Q HA -0.233 3.767 4.340 -0.568 0.000 0.202 151 Q C 2.168 178.065 176.000 -0.173 0.000 0.977 151 Q CA 1.572 57.301 55.803 -0.123 0.000 0.850 151 Q CB -0.145 28.589 28.738 -0.006 0.000 0.901 151 Q HN 0.498 nan 8.270 nan 0.000 0.429 152 Q N 0.248 119.973 119.800 -0.125 0.000 2.119 152 Q HA -0.068 3.931 4.340 -0.568 0.000 0.201 152 Q C 1.631 177.532 176.000 -0.165 0.000 0.972 152 Q CA 0.871 56.603 55.803 -0.118 0.000 0.847 152 Q CB -0.221 28.476 28.738 -0.069 0.000 0.903 152 Q HN 0.442 nan 8.270 nan 0.000 0.433 153 N N 0.404 118.982 118.700 -0.203 0.000 2.309 153 N HA -0.045 4.354 4.740 -0.568 0.000 0.182 153 N C 1.949 177.278 175.510 -0.303 0.000 1.018 153 N CA 0.554 53.470 53.050 -0.223 0.000 0.876 153 N CB 0.077 38.440 38.487 -0.206 0.000 0.972 153 N HN 0.238 nan 8.380 nan 0.000 0.434 154 L N 1.225 122.200 121.223 -0.413 0.000 2.027 154 L HA -0.122 3.877 4.340 -0.568 0.000 0.206 154 L C 2.545 179.162 176.870 -0.422 0.000 1.074 154 L CA 1.098 55.695 54.840 -0.406 0.000 0.745 154 L CB -0.382 41.427 42.059 -0.418 0.000 0.898 154 L HN 0.106 nan 8.230 nan 0.000 0.433 155 K N 0.352 120.546 120.400 -0.344 0.000 2.147 155 K HA -0.228 3.751 4.320 -0.568 0.000 0.205 155 K C 1.780 178.132 176.600 -0.414 0.000 1.049 155 K CA 1.491 57.569 56.287 -0.349 0.000 0.936 155 K CB -0.121 32.265 32.500 -0.189 0.000 0.722 155 K HN 0.305 nan 8.250 nan 0.000 0.446 156 N N -0.131 118.393 118.700 -0.293 0.000 2.412 156 N HA -0.111 4.288 4.740 -0.568 0.000 0.184 156 N C -0.638 174.828 175.510 -0.073 0.000 1.101 156 N CA 0.286 53.243 53.050 -0.153 0.000 0.881 156 N CB 0.198 38.628 38.487 -0.095 0.000 0.969 156 N HN 0.291 nan 8.380 nan 0.000 0.459 157 H N -0.314 118.709 119.070 -0.078 0.000 2.826 157 H HA -0.114 4.101 4.556 -0.568 0.000 0.306 157 H C -0.506 174.782 175.328 -0.068 0.000 1.235 157 H CA 0.878 56.884 56.048 -0.070 0.000 1.150 157 H CB -2.401 27.334 29.762 -0.046 0.000 1.409 157 H HN 0.159 nan 8.280 nan 0.000 0.420 158 T N 1.485 116.022 114.554 -0.029 0.000 2.916 158 T HA 0.103 4.113 4.350 -0.568 0.000 0.303 158 T C 0.982 175.651 174.700 -0.052 0.000 1.025 158 T CA 0.193 62.268 62.100 -0.042 0.000 1.142 158 T CB 0.771 69.589 68.868 -0.082 0.000 0.947 158 T HN 0.221 nan 8.240 nan 0.000 0.544 159 T N 5.083 119.609 114.554 -0.045 0.000 2.750 159 T HA 0.279 4.288 4.350 -0.568 0.000 0.286 159 T C 0.374 174.974 174.700 -0.167 0.000 0.911 159 T CA -0.029 62.012 62.100 -0.098 0.000 1.130 159 T CB -0.539 68.327 68.868 -0.003 0.000 0.873 159 T HN 0.371 nan 8.240 nan 0.000 0.536 160 I N 3.589 124.028 120.570 -0.218 0.000 2.378 160 I HA 0.353 4.182 4.170 -0.568 0.000 0.291 160 I C -0.487 175.465 176.117 -0.275 0.000 0.992 160 I CA -0.812 60.392 61.300 -0.161 0.000 1.154 160 I CB 1.315 39.274 38.000 -0.068 0.000 1.315 160 I HN 0.522 nan 8.210 nan 0.000 0.448 161 F N 4.684 124.545 119.950 -0.149 0.000 2.329 161 F HA 0.225 4.411 4.527 -0.568 0.000 0.362 161 F C 1.024 176.895 175.800 0.118 0.000 1.113 161 F CA -0.236 57.670 58.000 -0.156 0.000 1.212 161 F CB 0.927 39.536 39.000 -0.651 0.000 1.509 161 F HN 0.372 nan 8.300 nan 0.000 0.546 162 S N 1.976 117.877 115.700 0.335 0.000 2.565 162 S HA 0.138 4.267 4.470 -0.568 0.000 0.276 162 S C 0.582 175.446 174.600 0.439 0.000 1.326 162 S CA -0.137 58.254 58.200 0.319 0.000 1.045 162 S CB 0.229 63.596 63.200 0.279 0.000 0.918 162 S HN 0.758 nan 8.310 nan 0.000 0.505 163 E N 1.251 121.636 120.200 0.309 0.000 2.389 163 E HA -0.203 3.807 4.350 -0.568 0.000 0.243 163 E C -1.512 175.187 176.600 0.165 0.000 1.154 163 E CA 0.625 57.152 56.400 0.212 0.000 0.723 163 E CB -1.221 28.591 29.700 0.186 0.000 1.261 163 E HN 0.576 nan 8.360 nan 0.000 0.390 164 W N 0.380 121.738 121.300 0.097 0.000 2.551 164 W HA 0.472 4.791 4.660 -0.569 0.000 0.330 164 W C 0.000 176.564 176.519 0.074 0.000 1.063 164 W CA -0.529 56.874 57.345 0.097 0.000 1.222 164 W CB 0.720 30.237 29.460 0.095 0.000 1.349 164 W HN 0.142 nan 8.180 nan 0.000 0.536 165 Y N 2.958 123.342 120.300 0.140 0.000 2.356 165 Y HA 0.628 4.836 4.550 -0.569 0.000 0.334 165 Y C 0.206 176.158 175.900 0.087 0.000 0.958 165 Y CA -1.171 56.964 58.100 0.058 0.000 1.196 165 Y CB 0.522 38.964 38.460 -0.029 0.000 1.137 165 Y HN 0.507 nan 8.280 nan 0.000 0.485 166 A N 7.004 129.621 122.820 -0.339 0.000 2.492 166 A HA 0.258 4.237 4.320 -0.568 0.000 0.254 166 A C 0.136 177.570 177.584 -0.249 0.000 1.091 166 A CA -0.037 51.866 52.037 -0.224 0.000 0.768 166 A CB 0.144 19.000 19.000 -0.240 0.000 1.028 166 A HN 1.087 nan 8.150 nan 0.000 0.498 167 L N 1.476 122.719 121.223 0.034 0.000 2.194 167 L HA 0.246 4.245 4.340 -0.568 0.000 0.197 167 L C 0.253 177.169 176.870 0.077 0.000 1.106 167 L CA 0.597 55.515 54.840 0.130 0.000 0.785 167 L CB -0.019 42.151 42.059 0.184 0.000 0.960 167 L HN 0.595 nan 8.230 nan 0.000 0.465 168 D N -1.193 119.252 120.400 0.075 0.000 2.609 168 D HA 0.402 4.701 4.640 -0.568 0.000 0.239 168 D C -1.015 175.321 176.300 0.060 0.000 1.229 168 D CA -0.489 53.546 54.000 0.058 0.000 0.808 168 D CB 2.687 43.525 40.800 0.063 0.000 1.448 168 D HN -0.123 nan 8.370 nan 0.000 0.433 169 L N 0.683 121.933 121.223 0.046 0.000 2.439 169 L HA 0.292 4.291 4.340 -0.568 0.000 0.269 169 L C 0.075 176.977 176.870 0.054 0.000 1.179 169 L CA -0.494 54.380 54.840 0.056 0.000 0.828 169 L CB 0.679 42.761 42.059 0.038 0.000 1.106 169 L HN 0.013 nan 8.230 nan 0.000 0.467 170 V N 3.014 122.975 119.914 0.079 0.000 2.370 170 V HA 0.316 4.095 4.120 -0.568 0.000 0.283 170 V C 0.022 176.137 176.094 0.035 0.000 1.023 170 V CA -0.766 61.553 62.300 0.032 0.000 0.857 170 V CB 1.321 33.147 31.823 0.006 0.000 0.985 170 V HN 0.654 nan 8.190 nan 0.000 0.443 171 K N 3.845 124.246 120.400 0.001 0.000 2.207 171 K HA 0.481 4.461 4.320 -0.568 0.000 0.255 171 K C -0.303 176.294 176.600 -0.005 0.000 0.941 171 K CA -0.782 55.509 56.287 0.006 0.000 0.825 171 K CB 1.682 34.181 32.500 -0.002 0.000 1.119 171 K HN 0.806 nan 8.250 nan 0.000 0.430 172 N N 0.735 119.439 118.700 0.007 0.000 2.405 172 N HA -0.056 4.343 4.740 -0.568 0.000 0.269 172 N C 0.684 176.192 175.510 -0.004 0.000 1.249 172 N CA -0.361 52.690 53.050 0.003 0.000 0.974 172 N CB 0.363 38.861 38.487 0.018 0.000 1.204 172 N HN 0.622 nan 8.380 nan 0.000 0.565 173 Q N -1.540 118.257 119.800 -0.005 0.000 2.364 173 Q HA -0.091 3.908 4.340 -0.568 0.000 0.209 173 Q C -0.355 175.641 176.000 -0.006 0.000 0.977 173 Q CA 1.360 57.158 55.803 -0.008 0.000 0.885 173 Q CB -0.239 28.495 28.738 -0.007 0.000 0.941 173 Q HN 0.516 nan 8.270 nan 0.000 0.464 174 D N 0.309 120.707 120.400 -0.003 0.000 2.340 174 D HA 0.088 4.387 4.640 -0.568 0.000 0.220 174 D C 0.950 177.245 176.300 -0.008 0.000 1.039 174 D CA 0.952 54.950 54.000 -0.004 0.000 0.866 174 D CB 0.605 41.404 40.800 -0.000 0.000 0.913 174 D HN 0.541 nan 8.370 nan 0.000 0.523 175 G N 0.466 109.262 108.800 -0.008 0.000 2.157 175 G HA2 -0.200 3.419 3.960 -0.568 0.000 0.248 175 G HA3 -0.200 3.419 3.960 -0.568 0.000 0.248 175 G C 0.474 175.368 174.900 -0.011 0.000 0.979 175 G CA 0.180 45.273 45.100 -0.012 0.000 0.650 175 G HN 0.599 nan 8.290 nan 0.000 0.529 176 A N -0.194 122.624 122.820 -0.002 0.000 2.310 176 A HA 0.757 4.736 4.320 -0.568 0.000 0.299 176 A C 0.524 178.119 177.584 0.019 0.000 1.147 176 A CA -0.053 51.985 52.037 0.002 0.000 0.818 176 A CB 1.310 20.317 19.000 0.011 0.000 1.096 176 A HN 1.120 nan 8.150 nan 0.000 0.495 177 V N 2.873 122.800 119.914 0.021 0.000 2.455 177 V HA 0.232 4.011 4.120 -0.568 0.000 0.273 177 V C 0.850 176.996 176.094 0.087 0.000 1.045 177 V CA 0.451 62.780 62.300 0.048 0.000 0.976 177 V CB 0.977 32.823 31.823 0.039 0.000 0.993 177 V HN 0.972 nan 8.190 nan 0.000 0.475 178 V N 2.133 122.120 119.914 0.121 0.000 2.988 178 V HA 0.882 4.661 4.120 -0.568 0.000 0.356 178 V C 0.562 176.801 176.094 0.242 0.000 1.380 178 V CA 0.423 62.822 62.300 0.165 0.000 1.184 178 V CB -0.478 31.447 31.823 0.171 0.000 1.204 178 V HN 1.268 nan 8.190 nan 0.000 0.530 179 G N -0.367 108.562 108.800 0.215 0.000 2.280 179 G HA2 0.278 3.897 3.960 -0.568 0.000 0.277 179 G HA3 0.278 3.897 3.960 -0.568 0.000 0.277 179 G C -0.561 174.495 174.900 0.259 0.000 1.288 179 G CA 0.312 45.553 45.100 0.235 0.000 1.075 179 G HN 1.890 nan 8.290 nan 0.000 0.480 180 C N -1.901 117.590 119.300 0.318 0.000 3.307 180 C HA 0.924 5.043 4.460 -0.568 0.000 0.333 180 C C 0.219 175.431 174.990 0.370 0.000 1.291 180 C CA 0.284 59.458 59.018 0.260 0.000 1.273 180 C CB 1.138 28.948 27.740 0.117 0.000 1.580 180 C HN 2.132 nan 8.230 nan 0.000 0.481 181 T N 0.282 115.004 114.554 0.280 0.000 2.882 181 T HA 0.789 4.798 4.350 -0.568 0.000 0.287 181 T C -0.106 174.769 174.700 0.292 0.000 0.992 181 T CA 0.265 62.547 62.100 0.304 0.000 1.076 181 T CB 1.373 70.363 68.868 0.203 0.000 0.961 181 T HN 2.235 nan 8.240 nan 0.000 0.490 182 A N 2.354 125.415 122.820 0.402 0.000 2.475 182 A HA 0.733 4.712 4.320 -0.568 0.000 0.301 182 A C -1.147 176.707 177.584 0.450 0.000 1.059 182 A CA -0.988 51.313 52.037 0.440 0.000 0.710 182 A CB 1.624 20.960 19.000 0.561 0.000 1.288 182 A HN 0.954 nan 8.150 nan 0.000 0.408 183 L N 2.303 123.723 121.223 0.329 0.000 2.280 183 L HA 0.537 4.536 4.340 -0.568 0.000 0.287 183 L C -0.162 176.615 176.870 -0.154 0.000 1.023 183 L CA -0.406 54.500 54.840 0.110 0.000 0.819 183 L CB 0.901 43.005 42.059 0.075 0.000 1.212 183 L HN 0.776 nan 8.230 nan 0.000 0.420 184 C N 6.706 125.643 119.300 -0.605 0.000 2.595 184 C HA 0.196 4.315 4.460 -0.568 0.000 0.374 184 C C 1.987 176.617 174.990 -0.601 0.000 1.250 184 C CA -0.413 57.878 59.018 -1.211 0.000 1.595 184 C CB -1.697 25.136 27.740 -1.512 0.000 2.257 184 C HN 0.963 nan 8.230 nan 0.000 0.568 185 I N 3.313 123.577 120.570 -0.509 0.000 2.248 185 I HA -0.186 3.643 4.170 -0.568 0.000 0.248 185 I C 2.528 178.383 176.117 -0.437 0.000 1.107 185 I CA 1.826 62.830 61.300 -0.493 0.000 1.373 185 I CB -0.395 37.229 38.000 -0.627 0.000 1.055 185 I HN 0.811 nan 8.210 nan 0.000 0.418 186 E N 0.799 120.850 120.200 -0.250 0.000 2.028 186 E HA -0.230 3.779 4.350 -0.568 0.000 0.191 186 E C 2.136 178.735 176.600 -0.001 0.000 0.988 186 E CA 2.215 58.645 56.400 0.051 0.000 0.799 186 E CB 0.077 29.849 29.700 0.120 0.000 0.755 186 E HN 0.560 nan 8.360 nan 0.000 0.447 187 T N -4.091 110.408 114.554 -0.093 0.000 3.040 187 T HA 0.285 4.294 4.350 -0.568 0.000 0.252 187 T C 1.500 176.154 174.700 -0.077 0.000 1.064 187 T CA 0.788 62.855 62.100 -0.055 0.000 1.110 187 T CB 0.689 69.536 68.868 -0.035 0.000 0.921 187 T HN 0.375 nan 8.240 nan 0.000 0.480 188 G N 1.296 110.008 108.800 -0.147 0.000 2.175 188 G HA2 -0.241 3.378 3.960 -0.568 0.000 0.244 188 G HA3 -0.241 3.378 3.960 -0.568 0.000 0.244 188 G C -0.155 174.691 174.900 -0.090 0.000 0.982 188 G CA 0.160 45.188 45.100 -0.119 0.000 0.641 188 G HN 0.854 nan 8.290 nan 0.000 0.527 189 E N 0.584 120.724 120.200 -0.100 0.000 2.376 189 E HA 0.393 4.402 4.350 -0.568 0.000 0.266 189 E C 0.057 176.665 176.600 0.014 0.000 1.009 189 E CA -0.250 56.137 56.400 -0.020 0.000 0.902 189 E CB 0.697 30.416 29.700 0.032 0.000 0.972 189 E HN 0.153 nan 8.360 nan 0.000 0.439 190 V N 5.274 125.239 119.914 0.085 0.000 2.427 190 V HA 0.356 4.135 4.120 -0.568 0.000 0.286 190 V C -0.134 176.076 176.094 0.194 0.000 1.034 190 V CA -0.597 61.794 62.300 0.151 0.000 0.893 190 V CB 1.579 33.470 31.823 0.114 0.000 0.982 190 V HN 0.483 nan 8.190 nan 0.000 0.452 191 V N 4.127 124.206 119.914 0.275 0.000 2.876 191 V HA 0.389 4.168 4.120 -0.568 0.000 0.312 191 V C -1.319 174.865 176.094 0.150 0.000 1.085 191 V CA -0.909 61.479 62.300 0.147 0.000 0.945 191 V CB 2.340 34.173 31.823 0.015 0.000 1.017 191 V HN 0.746 nan 8.190 nan 0.000 0.428 192 Y N 3.678 123.930 120.300 -0.081 0.000 2.454 192 Y HA 0.560 4.769 4.550 -0.568 0.000 0.345 192 Y C -0.733 175.084 175.900 -0.139 0.000 0.970 192 Y CA -1.836 56.245 58.100 -0.033 0.000 1.204 192 Y CB 0.586 39.040 38.460 -0.010 0.000 1.122 192 Y HN 0.482 nan 8.280 nan 0.000 0.514 193 F N 6.499 126.321 119.950 -0.212 0.000 2.464 193 F HA 0.252 4.439 4.527 -0.568 0.000 0.353 193 F C 0.654 176.127 175.800 -0.546 0.000 1.191 193 F CA -0.238 57.555 58.000 -0.346 0.000 1.147 193 F CB 0.350 39.203 39.000 -0.244 0.000 1.294 193 F HN 0.380 nan 8.300 nan 0.000 0.583 194 K N 3.146 123.131 120.400 -0.692 0.000 2.249 194 K HA 0.741 4.720 4.320 -0.568 0.000 0.280 194 K C -0.738 175.802 176.600 -0.100 0.000 1.033 194 K CA -0.253 55.696 56.287 -0.563 0.000 0.946 194 K CB 0.729 32.890 32.500 -0.565 0.000 1.005 194 K HN 0.677 nan 8.250 nan 0.000 0.469 195 A N 3.825 126.649 122.820 0.007 0.000 2.612 195 A HA 0.366 4.345 4.320 -0.568 0.000 0.293 195 A C -0.325 177.308 177.584 0.081 0.000 1.075 195 A CA -0.852 51.225 52.037 0.068 0.000 0.680 195 A CB 1.460 20.512 19.000 0.086 0.000 1.279 195 A HN 0.894 nan 8.150 nan 0.000 0.411 196 R N -0.032 120.514 120.500 0.077 0.000 2.246 196 R HA 0.406 4.405 4.340 -0.568 0.000 0.199 196 R C 0.472 176.856 176.300 0.140 0.000 0.984 196 R CA 1.307 57.462 56.100 0.091 0.000 1.015 196 R CB 0.417 30.758 30.300 0.068 0.000 0.930 196 R HN 0.846 nan 8.270 nan 0.000 0.475 197 A N 0.344 123.232 122.820 0.113 0.000 2.414 197 A HA 0.443 4.422 4.320 -0.568 0.000 0.286 197 A C -0.943 176.704 177.584 0.105 0.000 1.073 197 A CA -0.585 51.542 52.037 0.150 0.000 0.727 197 A CB 1.453 20.356 19.000 -0.163 0.000 1.215 197 A HN -0.009 nan 8.150 nan 0.000 0.430 198 T N 2.445 117.135 114.554 0.228 0.000 2.770 198 T HA 0.456 4.465 4.350 -0.568 0.000 0.297 198 T C -0.320 174.487 174.700 0.179 0.000 0.997 198 T CA -0.192 61.989 62.100 0.134 0.000 0.949 198 T CB 0.788 69.722 68.868 0.110 0.000 0.941 198 T HN 0.444 nan 8.240 nan 0.000 0.457 199 V N 5.780 125.731 119.914 0.062 0.000 2.333 199 V HA 0.317 4.096 4.120 -0.568 0.000 0.274 199 V C 0.249 176.356 176.094 0.023 0.000 1.028 199 V CA -0.764 61.578 62.300 0.071 0.000 0.851 199 V CB 0.799 32.608 31.823 -0.024 0.000 1.000 199 V HN 0.776 nan 8.190 nan 0.000 0.456 200 L N 4.763 126.010 121.223 0.041 0.000 2.315 200 L HA 0.560 4.559 4.340 -0.568 0.000 0.283 200 L C 0.649 177.515 176.870 -0.007 0.000 1.089 200 L CA 0.089 54.927 54.840 -0.003 0.000 0.833 200 L CB 0.994 43.049 42.059 -0.006 0.000 1.170 200 L HN 0.774 nan 8.230 nan 0.000 0.442 201 A N 1.492 124.295 122.820 -0.027 0.000 3.410 201 A HA 0.300 4.279 4.320 -0.568 0.000 0.276 201 A C 0.678 178.243 177.584 -0.032 0.000 0.995 201 A CA -0.262 51.764 52.037 -0.020 0.000 0.934 201 A CB 0.004 18.996 19.000 -0.013 0.000 1.191 201 A HN 0.718 nan 8.150 nan 0.000 0.511 202 T N -2.907 111.622 114.554 -0.041 0.000 3.086 202 T HA 0.485 4.494 4.350 -0.568 0.000 0.250 202 T C 1.209 175.886 174.700 -0.037 0.000 1.074 202 T CA 0.924 62.995 62.100 -0.049 0.000 0.988 202 T CB 0.001 68.828 68.868 -0.067 0.000 0.988 202 T HN 2.140 nan 8.240 nan 0.000 0.530 203 G N 0.301 109.080 108.800 -0.036 0.000 2.568 203 G HA2 0.219 3.838 3.960 -0.568 0.000 0.222 203 G HA3 0.219 3.838 3.960 -0.568 0.000 0.222 203 G C 0.148 174.993 174.900 -0.091 0.000 1.321 203 G CA -0.442 44.633 45.100 -0.041 0.000 0.893 203 G HN 0.882 nan 8.290 nan 0.000 0.569 204 G N -1.681 107.049 108.800 -0.117 0.000 2.574 204 G HA2 0.761 4.380 3.960 -0.568 0.000 0.248 204 G HA3 0.761 4.380 3.960 -0.568 0.000 0.248 204 G C 0.413 175.289 174.900 -0.039 0.000 1.422 204 G CA 0.840 45.848 45.100 -0.153 0.000 1.051 204 G HN 2.235 nan 8.290 nan 0.000 0.560 205 A N -1.282 121.599 122.820 0.101 0.000 3.214 205 A HA 0.548 4.527 4.320 -0.568 0.000 0.203 205 A C 1.230 178.924 177.584 0.183 0.000 0.960 205 A CA 0.766 52.900 52.037 0.160 0.000 1.113 205 A CB 0.090 19.211 19.000 0.201 0.000 1.280 205 A HN 1.296 nan 8.150 nan 0.000 0.573 206 G N 0.078 108.927 108.800 0.082 0.000 2.498 206 G HA2 -0.137 3.482 3.960 -0.568 0.000 0.219 206 G HA3 -0.137 3.482 3.960 -0.568 0.000 0.219 206 G C 1.220 176.083 174.900 -0.062 0.000 1.119 206 G CA 0.362 45.445 45.100 -0.029 0.000 0.766 206 G HN 0.386 nan 8.290 nan 0.000 0.552 207 R N 0.571 121.036 120.500 -0.058 0.000 2.323 207 R HA 0.073 4.072 4.340 -0.568 0.000 0.198 207 R C 2.229 178.491 176.300 -0.064 0.000 0.988 207 R CA 0.187 56.255 56.100 -0.053 0.000 1.041 207 R CB -0.504 29.772 30.300 -0.040 0.000 0.926 207 R HN 0.753 nan 8.270 nan 0.000 0.476 208 I N -3.434 117.061 120.570 -0.127 0.000 3.444 208 I HA 0.023 3.852 4.170 -0.568 0.000 0.287 208 I C -0.058 175.832 176.117 -0.379 0.000 1.302 208 I CA 0.385 61.536 61.300 -0.250 0.000 1.368 208 I CB -0.135 37.651 38.000 -0.356 0.000 1.048 208 I HN -0.212 nan 8.210 nan 0.000 0.487 209 Y N 0.687 120.865 120.300 -0.202 0.000 2.602 209 Y HA 0.320 4.531 4.550 -0.565 0.000 0.330 209 Y C 1.430 177.296 175.900 -0.055 0.000 1.114 209 Y CA -0.496 57.527 58.100 -0.129 0.000 1.182 209 Y CB 1.148 39.511 38.460 -0.162 0.000 1.305 209 Y HN -0.151 nan 8.280 nan 0.000 0.502 210 Q N 0.183 120.097 119.800 0.190 0.000 2.187 210 Q HA -0.000 3.999 4.340 -0.568 0.000 0.199 210 Q C -0.140 175.924 176.000 0.107 0.000 0.957 210 Q CA 0.711 56.588 55.803 0.124 0.000 0.857 210 Q CB 0.350 29.174 28.738 0.144 0.000 0.929 210 Q HN 0.444 nan 8.270 nan 0.000 0.453 211 S N -0.370 115.408 115.700 0.130 0.000 2.647 211 S HA 0.489 4.618 4.470 -0.568 0.000 0.300 211 S C -1.099 173.521 174.600 0.033 0.000 1.129 211 S CA -0.507 57.737 58.200 0.073 0.000 1.029 211 S CB 1.804 65.057 63.200 0.088 0.000 1.007 211 S HN 0.174 nan 8.310 nan 0.000 0.484 212 T N 1.368 115.913 114.554 -0.014 0.000 2.868 212 T HA 0.478 4.487 4.350 -0.568 0.000 0.306 212 T C 1.041 175.714 174.700 -0.045 0.000 1.224 212 T CA 0.115 62.186 62.100 -0.049 0.000 1.012 212 T CB 1.440 70.261 68.868 -0.079 0.000 1.221 212 T HN 0.720 nan 8.240 nan 0.000 0.499 213 T N 0.312 114.865 114.554 -0.000 0.000 3.081 213 T HA 0.232 4.241 4.350 -0.568 0.000 0.255 213 T C 0.643 175.372 174.700 0.048 0.000 1.113 213 T CA 0.071 62.199 62.100 0.045 0.000 1.082 213 T CB -0.577 68.402 68.868 0.185 0.000 0.939 213 T HN 0.585 nan 8.240 nan 0.000 0.506 214 N N 1.478 120.118 118.700 -0.099 0.000 2.482 214 N HA 0.478 4.877 4.740 -0.568 0.000 0.260 214 N C 0.203 175.570 175.510 -0.238 0.000 1.236 214 N CA -0.451 52.380 53.050 -0.365 0.000 0.938 214 N CB 0.646 38.890 38.487 -0.405 0.000 1.128 214 N HN 0.435 nan 8.380 nan 0.000 0.448 215 A N 0.962 123.646 122.820 -0.225 0.000 2.366 215 A HA -0.002 3.977 4.320 -0.568 0.000 0.250 215 A C 0.969 178.495 177.584 -0.097 0.000 1.099 215 A CA -0.112 51.911 52.037 -0.024 0.000 0.794 215 A CB 0.082 19.184 19.000 0.171 0.000 1.056 215 A HN 0.801 nan 8.150 nan 0.000 0.499 216 H N 0.460 119.539 119.070 0.014 0.000 2.489 216 H HA -0.125 4.091 4.556 -0.567 0.000 0.293 216 H C 1.682 177.012 175.328 0.004 0.000 1.066 216 H CA 2.079 58.131 56.048 0.007 0.000 1.305 216 H CB -0.084 29.689 29.762 0.019 0.000 1.386 216 H HN 0.714 nan 8.280 nan 0.000 0.551 217 I N -1.333 119.306 120.570 0.115 0.000 3.578 217 I HA 0.030 3.859 4.170 -0.568 0.000 0.295 217 I C -0.252 175.886 176.117 0.035 0.000 1.280 217 I CA 0.128 61.479 61.300 0.084 0.000 1.347 217 I CB -0.097 37.960 38.000 0.094 0.000 1.051 217 I HN -0.178 nan 8.210 nan 0.000 0.460 218 N N 2.781 121.468 118.700 -0.022 0.000 2.739 218 N HA 0.087 4.486 4.740 -0.568 0.000 0.266 218 N C 0.821 176.321 175.510 -0.017 0.000 1.168 218 N CA 0.474 53.490 53.050 -0.057 0.000 1.055 218 N CB 0.470 38.856 38.487 -0.168 0.000 1.393 218 N HN 0.427 nan 8.380 nan 0.000 0.514 219 T N -3.014 111.548 114.554 0.014 0.000 3.084 219 T HA 0.255 4.264 4.350 -0.568 0.000 0.270 219 T C 1.091 175.812 174.700 0.034 0.000 1.008 219 T CA -0.111 62.007 62.100 0.029 0.000 0.900 219 T CB -0.017 68.881 68.868 0.051 0.000 1.084 219 T HN 0.383 nan 8.240 nan 0.000 0.538 220 G N 2.272 111.086 108.800 0.024 0.000 2.323 220 G HA2 -0.244 3.375 3.960 -0.568 0.000 0.292 220 G HA3 -0.244 3.375 3.960 -0.568 0.000 0.292 220 G C 0.357 175.264 174.900 0.011 0.000 1.040 220 G CA 0.283 45.394 45.100 0.019 0.000 0.942 220 G HN 0.486 nan 8.290 nan 0.000 0.506 221 D N -0.010 120.391 120.400 0.001 0.000 2.182 221 D HA -0.066 4.233 4.640 -0.568 0.000 0.201 221 D C 2.446 178.726 176.300 -0.033 0.000 0.986 221 D CA 1.667 55.658 54.000 -0.014 0.000 0.847 221 D CB -0.591 40.161 40.800 -0.078 0.000 0.942 221 D HN 0.572 nan 8.370 nan 0.000 0.467 222 G N 0.576 109.351 108.800 -0.042 0.000 2.418 222 G HA2 -0.199 3.420 3.960 -0.568 0.000 0.217 222 G HA3 -0.199 3.420 3.960 -0.568 0.000 0.217 222 G C 1.845 176.731 174.900 -0.023 0.000 1.158 222 G CA 0.742 45.817 45.100 -0.041 0.000 0.771 222 G HN 0.249 nan 8.290 nan 0.000 0.545 223 V N 1.560 121.464 119.914 -0.018 0.000 2.295 223 V HA -0.067 3.712 4.120 -0.568 0.000 0.246 223 V C 3.145 179.248 176.094 0.015 0.000 1.049 223 V CA 2.035 64.332 62.300 -0.006 0.000 1.024 223 V CB -1.113 30.707 31.823 -0.005 0.000 0.648 223 V HN 0.430 nan 8.190 nan 0.000 0.447 224 G N -0.664 108.148 108.800 0.021 0.000 2.421 224 G HA2 -0.269 3.350 3.960 -0.568 0.000 0.216 224 G HA3 -0.269 3.350 3.960 -0.568 0.000 0.216 224 G C 1.637 176.558 174.900 0.036 0.000 1.171 224 G CA 1.146 46.268 45.100 0.037 0.000 0.775 224 G HN 0.425 nan 8.290 nan 0.000 0.543 225 M N 0.732 120.345 119.600 0.020 0.000 2.159 225 M HA 0.012 4.151 4.480 -0.568 0.000 0.263 225 M C 3.045 179.355 176.300 0.017 0.000 1.063 225 M CA 1.320 56.630 55.300 0.017 0.000 1.110 225 M CB -0.221 32.376 32.600 -0.005 0.000 1.374 225 M HN 0.325 nan 8.290 nan 0.000 0.411 226 A N 0.809 123.636 122.820 0.012 0.000 1.858 226 A HA -0.139 3.840 4.320 -0.568 0.000 0.216 226 A C 2.073 179.674 177.584 0.029 0.000 1.190 226 A CA 1.470 53.514 52.037 0.012 0.000 0.617 226 A CB -0.889 18.113 19.000 0.003 0.000 0.827 226 A HN 0.434 nan 8.150 nan 0.000 0.443 227 I N -0.841 119.760 120.570 0.052 0.000 2.163 227 I HA -0.274 3.555 4.170 -0.568 0.000 0.243 227 I C 2.635 178.789 176.117 0.061 0.000 1.085 227 I CA 1.486 62.839 61.300 0.088 0.000 1.347 227 I CB -0.365 37.714 38.000 0.131 0.000 1.044 227 I HN 0.289 nan 8.210 nan 0.000 0.408 228 R N 0.574 121.102 120.500 0.047 0.000 2.285 228 R HA -0.025 3.974 4.340 -0.568 0.000 0.213 228 R C 1.895 178.207 176.300 0.021 0.000 1.068 228 R CA 1.002 57.122 56.100 0.033 0.000 1.004 228 R CB -0.169 30.153 30.300 0.037 0.000 0.873 228 R HN 0.350 nan 8.270 nan 0.000 0.467 229 A N -0.335 122.496 122.820 0.018 0.000 2.308 229 A HA 0.298 4.277 4.320 -0.568 0.000 0.217 229 A C 1.375 178.959 177.584 -0.001 0.000 1.216 229 A CA 0.617 52.659 52.037 0.008 0.000 0.864 229 A CB 0.346 19.351 19.000 0.008 0.000 0.902 229 A HN 0.371 nan 8.150 nan 0.000 0.499 230 G N -1.424 107.377 108.800 0.001 0.000 2.175 230 G HA2 -0.197 3.422 3.960 -0.568 0.000 0.244 230 G HA3 -0.197 3.422 3.960 -0.568 0.000 0.244 230 G C 0.173 175.062 174.900 -0.019 0.000 0.982 230 G CA 0.067 45.159 45.100 -0.013 0.000 0.641 230 G HN 0.768 nan 8.290 nan 0.000 0.527 231 V N 2.535 122.444 119.914 -0.009 0.000 2.530 231 V HA 0.434 4.213 4.120 -0.568 0.000 0.282 231 V C -1.382 174.714 176.094 0.003 0.000 1.048 231 V CA -1.186 61.105 62.300 -0.016 0.000 0.997 231 V CB 1.299 33.110 31.823 -0.021 0.000 0.987 231 V HN 0.164 nan 8.190 nan 0.000 0.477 232 P HA 0.349 nan 4.420 nan 0.000 0.277 232 P C -0.712 176.606 177.300 0.031 0.000 1.240 232 P CA -0.185 62.924 63.100 0.014 0.000 0.798 232 P CB 0.946 32.631 31.700 -0.025 0.000 0.979 233 V N -0.826 119.139 119.914 0.086 0.000 2.919 233 V HA 0.673 4.452 4.120 -0.568 0.000 0.316 233 V C -0.587 175.528 176.094 0.036 0.000 1.077 233 V CA -0.900 61.424 62.300 0.041 0.000 0.977 233 V CB 1.604 33.448 31.823 0.035 0.000 1.039 233 V HN 0.542 nan 8.190 nan 0.000 0.441 234 Q N 0.314 120.106 119.800 -0.013 0.000 2.375 234 Q HA 0.386 4.386 4.340 -0.568 0.000 0.271 234 Q C -0.960 175.037 176.000 -0.005 0.000 1.074 234 Q CA -0.429 55.373 55.803 -0.003 0.000 0.808 234 Q CB 1.772 30.473 28.738 -0.061 0.000 1.327 234 Q HN 0.962 nan 8.270 nan 0.000 0.441 235 D N 3.124 123.557 120.400 0.054 0.000 2.751 235 D HA -0.197 4.103 4.640 -0.568 0.000 0.233 235 D C 0.634 176.908 176.300 -0.044 0.000 1.149 235 D CA 0.721 54.747 54.000 0.045 0.000 0.682 235 D CB -0.240 40.612 40.800 0.087 0.000 1.068 235 D HN 0.659 nan 8.370 nan 0.000 0.429 236 M N -0.318 119.256 119.600 -0.044 0.000 2.549 236 M HA -0.113 4.026 4.480 -0.568 0.000 0.260 236 M C 2.049 178.348 176.300 -0.001 0.000 1.076 236 M CA 1.131 56.381 55.300 -0.084 0.000 1.090 236 M CB -0.359 32.208 32.600 -0.054 0.000 1.418 236 M HN 0.259 nan 8.290 nan 0.000 0.486 237 E N -0.529 119.690 120.200 0.031 0.000 2.478 237 E HA -0.049 3.961 4.350 -0.568 0.000 0.194 237 E C 0.275 176.993 176.600 0.196 0.000 1.045 237 E CA 0.305 56.789 56.400 0.140 0.000 0.868 237 E CB -0.090 29.591 29.700 -0.032 0.000 0.885 237 E HN 0.279 nan 8.360 nan 0.000 0.505 238 M N 1.432 121.055 119.600 0.039 0.000 2.974 238 M HA 0.199 4.339 4.480 -0.568 0.000 0.301 238 M C -1.267 175.011 176.300 -0.036 0.000 1.409 238 M CA -0.055 55.279 55.300 0.056 0.000 1.515 238 M CB -1.383 31.230 32.600 0.022 0.000 1.163 238 M HN 0.063 nan 8.290 nan 0.000 0.520 239 W N 1.822 123.194 121.300 0.120 0.000 2.349 239 W HA 0.386 4.703 4.660 -0.571 0.000 0.309 239 W C 0.608 177.131 176.519 0.007 0.000 1.083 239 W CA -0.419 56.934 57.345 0.014 0.000 1.224 239 W CB 0.863 30.305 29.460 -0.028 0.000 1.256 239 W HN 0.448 nan 8.180 nan 0.000 0.461 240 Q N 3.527 123.440 119.800 0.188 0.000 2.295 240 Q HA 0.281 4.280 4.340 -0.568 0.000 0.259 240 Q C -1.271 174.767 176.000 0.063 0.000 0.976 240 Q CA -0.278 55.637 55.803 0.187 0.000 0.923 240 Q CB 0.464 29.336 28.738 0.223 0.000 1.185 240 Q HN 0.418 nan 8.270 nan 0.000 0.410 241 F N 3.922 123.934 119.950 0.103 0.000 2.313 241 F HA 0.173 4.363 4.527 -0.561 0.000 0.369 241 F C 0.591 176.416 175.800 0.043 0.000 1.109 241 F CA -0.733 57.300 58.000 0.055 0.000 1.132 241 F CB 0.582 39.556 39.000 -0.044 0.000 1.291 241 F HN 0.579 nan 8.300 nan 0.000 0.496 242 H N 5.654 124.779 119.070 0.092 0.000 3.034 242 H HA 0.005 4.220 4.556 -0.568 0.000 0.324 242 H C -1.701 173.611 175.328 -0.027 0.000 1.015 242 H CA -0.986 55.018 56.048 -0.074 0.000 1.429 242 H CB 1.470 31.030 29.762 -0.338 0.000 1.429 242 H HN 0.345 nan 8.280 nan 0.000 0.585 243 P HA -0.096 nan 4.420 nan 0.000 0.216 243 P C 0.356 177.707 177.300 0.086 0.000 1.150 243 P CA 1.669 64.743 63.100 -0.043 0.000 0.837 243 P CB 0.192 31.794 31.700 -0.162 0.000 0.786 244 T N -3.102 111.602 114.554 0.250 0.000 3.390 244 T HA 0.620 4.629 4.350 -0.568 0.000 0.351 244 T C 0.335 175.078 174.700 0.071 0.000 1.759 244 T CA -0.871 61.315 62.100 0.144 0.000 1.561 244 T CB 0.067 68.990 68.868 0.092 0.000 1.011 244 T HN -0.019 nan 8.240 nan 0.000 0.689 245 G N 1.892 110.723 108.800 0.051 0.000 2.400 245 G HA2 0.596 4.215 3.960 -0.568 0.000 0.301 245 G HA3 0.596 4.215 3.960 -0.568 0.000 0.301 245 G C 0.013 174.903 174.900 -0.017 0.000 1.154 245 G CA -1.125 43.968 45.100 -0.011 0.000 0.852 245 G HN 0.789 nan 8.290 nan 0.000 0.511 246 I N 1.885 122.428 120.570 -0.046 0.000 2.664 246 I HA 0.069 3.898 4.170 -0.568 0.000 0.284 246 I C 1.335 177.442 176.117 -0.016 0.000 1.154 246 I CA -0.094 61.175 61.300 -0.051 0.000 1.402 246 I CB 0.639 38.616 38.000 -0.038 0.000 1.395 246 I HN 0.518 nan 8.210 nan 0.000 0.545 247 A N 5.461 128.260 122.820 -0.035 0.000 2.545 247 A HA 0.365 4.345 4.320 -0.568 0.000 0.253 247 A C 1.343 179.005 177.584 0.130 0.000 1.074 247 A CA 0.615 52.680 52.037 0.047 0.000 0.760 247 A CB -0.326 18.693 19.000 0.032 0.000 1.005 247 A HN 1.241 nan 8.150 nan 0.000 0.506 248 G N 0.713 109.591 108.800 0.129 0.000 2.176 248 G HA2 0.051 3.670 3.960 -0.568 0.000 0.253 248 G HA3 0.051 3.670 3.960 -0.568 0.000 0.253 248 G C 0.750 175.713 174.900 0.105 0.000 0.979 248 G CA 1.081 46.262 45.100 0.135 0.000 0.641 248 G HN 2.082 nan 8.290 nan 0.000 0.530 249 A N -1.845 121.018 122.820 0.072 0.000 1.937 249 A HA 0.670 4.649 4.320 -0.568 0.000 0.198 249 A C 2.625 180.183 177.584 -0.043 0.000 1.635 249 A CA 1.895 53.950 52.037 0.029 0.000 1.111 249 A CB -0.235 18.790 19.000 0.042 0.000 1.165 249 A HN 2.266 nan 8.150 nan 0.000 0.460 250 G N -0.818 107.963 108.800 -0.033 0.000 2.253 250 G HA2 -0.217 3.402 3.960 -0.568 0.000 0.251 250 G HA3 -0.217 3.402 3.960 -0.568 0.000 0.251 250 G C 0.394 175.239 174.900 -0.092 0.000 0.998 250 G CA 0.227 45.301 45.100 -0.043 0.000 0.621 250 G HN 1.084 nan 8.290 nan 0.000 0.524 251 V N 2.208 122.015 119.914 -0.178 0.000 2.599 251 V HA 0.377 4.156 4.120 -0.568 0.000 0.300 251 V C 1.069 177.077 176.094 -0.143 0.000 1.034 251 V CA 0.338 62.497 62.300 -0.235 0.000 1.115 251 V CB 1.279 32.809 31.823 -0.488 0.000 0.934 251 V HN 0.614 nan 8.190 nan 0.000 0.485 252 L N 7.634 128.783 121.223 -0.122 0.000 2.397 252 L HA 0.509 4.508 4.340 -0.568 0.000 0.271 252 L C -0.055 176.734 176.870 -0.135 0.000 1.148 252 L CA 0.328 55.073 54.840 -0.158 0.000 0.825 252 L CB 1.326 43.274 42.059 -0.184 0.000 1.117 252 L HN 0.568 nan 8.230 nan 0.000 0.456 253 V N 1.807 121.633 119.914 -0.148 0.000 2.448 253 V HA 0.459 4.238 4.120 -0.568 0.000 0.295 253 V C 0.339 176.377 176.094 -0.094 0.000 1.025 253 V CA -0.459 61.788 62.300 -0.089 0.000 0.859 253 V CB 0.810 32.599 31.823 -0.057 0.000 0.988 253 V HN 0.923 nan 8.190 nan 0.000 0.431 254 T N 1.956 116.485 114.554 -0.040 0.000 2.939 254 T HA -0.018 3.991 4.350 -0.568 0.000 0.319 254 T C 1.025 175.740 174.700 0.025 0.000 1.082 254 T CA 1.105 63.219 62.100 0.024 0.000 1.133 254 T CB 0.561 69.494 68.868 0.107 0.000 1.019 254 T HN 1.105 nan 8.240 nan 0.000 0.548 255 E N 2.137 122.351 120.200 0.023 0.000 2.409 255 E HA -0.023 3.986 4.350 -0.568 0.000 0.198 255 E C 2.003 178.333 176.600 -0.451 0.000 1.024 255 E CA 0.871 57.095 56.400 -0.294 0.000 0.861 255 E CB -0.680 28.641 29.700 -0.632 0.000 0.788 255 E HN 0.917 nan 8.360 nan 0.000 0.521 256 G N 0.211 108.935 108.800 -0.127 0.000 2.470 256 G HA2 -0.270 3.349 3.960 -0.568 0.000 0.220 256 G HA3 -0.270 3.349 3.960 -0.568 0.000 0.220 256 G C 1.534 176.443 174.900 0.014 0.000 1.121 256 G CA 0.751 45.903 45.100 0.085 0.000 0.766 256 G HN 0.382 nan 8.290 nan 0.000 0.553 257 C N 0.237 119.521 119.300 -0.027 0.000 2.413 257 C HA -0.010 4.109 4.460 -0.568 0.000 0.276 257 C C 2.879 177.836 174.990 -0.055 0.000 1.248 257 C CA 0.805 59.799 59.018 -0.040 0.000 1.742 257 C CB -0.672 27.037 27.740 -0.051 0.000 2.017 257 C HN 0.486 nan 8.230 nan 0.000 0.481 258 R N 0.308 120.754 120.500 -0.089 0.000 2.200 258 R HA 0.048 4.047 4.340 -0.568 0.000 0.208 258 R C 2.370 178.635 176.300 -0.058 0.000 1.033 258 R CA 1.056 57.112 56.100 -0.073 0.000 1.000 258 R CB -0.491 29.740 30.300 -0.115 0.000 0.906 258 R HN 0.588 nan 8.270 nan 0.000 0.462 259 G N 1.155 109.904 108.800 -0.085 0.000 2.484 259 G HA2 -0.169 3.451 3.960 -0.568 0.000 0.218 259 G HA3 -0.169 3.451 3.960 -0.568 0.000 0.218 259 G C 1.204 176.143 174.900 0.065 0.000 1.130 259 G CA 0.199 45.294 45.100 -0.008 0.000 0.784 259 G HN 0.156 nan 8.290 nan 0.000 0.543 260 E N -0.124 120.111 120.200 0.058 0.000 2.474 260 E HA 0.170 4.179 4.350 -0.568 0.000 0.194 260 E C 1.749 178.384 176.600 0.059 0.000 1.041 260 E CA 0.677 57.121 56.400 0.073 0.000 0.874 260 E CB 0.594 30.327 29.700 0.055 0.000 0.914 260 E HN 0.455 nan 8.360 nan 0.000 0.498 261 G N 0.649 109.490 108.800 0.069 0.000 2.370 261 G HA2 -0.148 3.471 3.960 -0.568 0.000 0.174 261 G HA3 -0.148 3.471 3.960 -0.568 0.000 0.174 261 G C 0.620 175.664 174.900 0.241 0.000 1.002 261 G CA -0.289 44.902 45.100 0.151 0.000 0.730 261 G HN 0.407 nan 8.290 nan 0.000 0.497 262 G N 0.170 109.013 108.800 0.072 0.000 2.527 262 G HA2 0.668 4.287 3.960 -0.568 0.000 0.248 262 G HA3 0.668 4.287 3.960 -0.568 0.000 0.248 262 G C -0.248 174.696 174.900 0.073 0.000 1.231 262 G CA 0.340 45.441 45.100 0.001 0.000 0.838 262 G HN 1.283 nan 8.290 nan 0.000 0.570 263 Y N -1.162 119.171 120.300 0.055 0.000 2.644 263 Y HA 0.716 4.919 4.550 -0.579 0.000 0.338 263 Y C -0.743 175.117 175.900 -0.067 0.000 1.119 263 Y CA -1.785 56.289 58.100 -0.043 0.000 1.060 263 Y CB 1.132 39.552 38.460 -0.067 0.000 1.294 263 Y HN 0.420 nan 8.280 nan 0.000 0.472 264 L N 2.575 123.827 121.223 0.049 0.000 2.357 264 L HA 0.653 4.652 4.340 -0.568 0.000 0.273 264 L C -0.641 176.246 176.870 0.028 0.000 1.080 264 L CA -0.675 54.139 54.840 -0.043 0.000 0.803 264 L CB 1.332 43.255 42.059 -0.226 0.000 1.174 264 L HN 0.586 nan 8.230 nan 0.000 0.443 265 L N 1.784 123.125 121.223 0.196 0.000 2.393 265 L HA 0.509 4.508 4.340 -0.568 0.000 0.260 265 L C -0.674 176.429 176.870 0.388 0.000 1.002 265 L CA -0.937 54.080 54.840 0.294 0.000 0.818 265 L CB 2.171 44.355 42.059 0.208 0.000 1.369 265 L HN 0.665 nan 8.230 nan 0.000 0.412 266 N N 0.591 119.508 118.700 0.363 0.000 2.643 266 N HA 0.215 4.615 4.740 -0.568 0.000 0.305 266 N C 0.377 175.909 175.510 0.037 0.000 1.283 266 N CA -0.874 52.266 53.050 0.150 0.000 0.946 266 N CB 0.363 38.890 38.487 0.067 0.000 1.149 266 N HN 0.603 nan 8.380 nan 0.000 0.600 267 K N -1.424 118.908 120.400 -0.114 0.000 2.280 267 K HA -0.122 3.857 4.320 -0.568 0.000 0.202 267 K C 0.358 176.822 176.600 -0.227 0.000 1.047 267 K CA 1.246 57.406 56.287 -0.211 0.000 0.942 267 K CB -0.385 31.908 32.500 -0.345 0.000 0.739 267 K HN 0.472 nan 8.250 nan 0.000 0.457 268 H N -0.193 118.907 119.070 0.049 0.000 2.551 268 H HA 0.157 4.361 4.556 -0.587 0.000 0.271 268 H C 1.127 176.495 175.328 0.067 0.000 0.984 268 H CA 0.656 56.733 56.048 0.049 0.000 1.164 268 H CB 1.025 30.811 29.762 0.040 0.000 1.437 268 H HN 0.581 nan 8.280 nan 0.000 0.550 269 G N 1.486 110.387 108.800 0.169 0.000 2.143 269 G HA2 -0.283 3.336 3.960 -0.568 0.000 0.249 269 G HA3 -0.283 3.336 3.960 -0.568 0.000 0.249 269 G C 0.216 175.214 174.900 0.163 0.000 0.981 269 G CA 0.377 45.568 45.100 0.152 0.000 0.665 269 G HN 0.500 nan 8.290 nan 0.000 0.528 270 E N 0.328 120.648 120.200 0.201 0.000 2.316 270 E HA 0.319 4.329 4.350 -0.568 0.000 0.275 270 E C 0.700 177.423 176.600 0.206 0.000 1.029 270 E CA -0.790 55.719 56.400 0.180 0.000 0.871 270 E CB 0.317 30.136 29.700 0.199 0.000 1.022 270 E HN 0.325 nan 8.360 nan 0.000 0.418 271 R N 5.468 126.010 120.500 0.070 0.000 3.247 271 R HA 0.026 4.025 4.340 -0.568 0.000 0.212 271 R C 0.649 176.920 176.300 -0.048 0.000 1.604 271 R CA -0.118 55.953 56.100 -0.047 0.000 1.279 271 R CB -0.537 29.632 30.300 -0.219 0.000 1.277 271 R HN 0.557 nan 8.270 nan 0.000 0.669 272 F N 1.262 121.278 119.950 0.111 0.000 2.451 272 F HA -0.086 4.567 4.527 0.210 0.000 0.299 272 F C 1.243 177.187 175.800 0.241 0.000 1.101 272 F CA 0.240 58.339 58.000 0.165 0.000 1.436 272 F CB -0.191 38.966 39.000 0.261 0.000 1.074 272 F HN 0.265 nan 8.300 nan 0.000 0.553 273 M N 1.076 120.536 119.600 -0.233 0.000 2.460 273 M HA -0.097 4.042 4.480 -0.568 0.000 0.263 273 M C 1.786 178.113 176.300 0.044 0.000 1.071 273 M CA 1.001 56.280 55.300 -0.035 0.000 1.096 273 M CB -1.186 31.283 32.600 -0.218 0.000 1.408 273 M HN 0.409 nan 8.290 nan 0.000 0.463 274 E N -0.564 119.631 120.200 -0.008 0.000 2.208 274 E HA -0.166 3.843 4.350 -0.568 0.000 0.193 274 E C 2.135 178.742 176.600 0.011 0.000 0.988 274 E CA 0.651 57.044 56.400 -0.012 0.000 0.828 274 E CB 0.005 29.674 29.700 -0.052 0.000 0.763 274 E HN 0.454 nan 8.360 nan 0.000 0.478 275 R N -0.218 120.293 120.500 0.020 0.000 2.080 275 R HA -0.065 3.934 4.340 -0.568 0.000 0.222 275 R C 1.653 177.898 176.300 -0.092 0.000 1.107 275 R CA 0.865 56.918 56.100 -0.078 0.000 0.980 275 R CB 0.051 30.241 30.300 -0.183 0.000 0.879 275 R HN 0.151 nan 8.270 nan 0.000 0.439 276 Y N -0.558 119.806 120.300 0.107 0.000 2.337 276 Y HA 0.185 4.294 4.550 -0.735 0.000 0.293 276 Y C 0.674 176.632 175.900 0.096 0.000 1.123 276 Y CA 0.790 58.958 58.100 0.114 0.000 1.201 276 Y CB 0.435 38.990 38.460 0.158 0.000 1.011 276 Y HN 0.097 nan 8.280 nan 0.000 0.545 277 A N -0.572 122.376 122.820 0.214 0.000 2.984 277 A HA 0.428 4.407 4.320 -0.568 0.000 0.320 277 A C -2.217 175.426 177.584 0.097 0.000 1.142 277 A CA -1.148 50.987 52.037 0.163 0.000 0.772 277 A CB 0.346 19.444 19.000 0.164 0.000 1.195 277 A HN -0.037 nan 8.150 nan 0.000 0.459 278 P HA -0.160 nan 4.420 nan 0.000 0.217 278 P C 1.071 178.390 177.300 0.031 0.000 1.148 278 P CA 1.430 64.551 63.100 0.034 0.000 0.828 278 P CB 0.378 32.093 31.700 0.025 0.000 0.783 279 N N -0.839 117.894 118.700 0.055 0.000 2.244 279 N HA 0.017 4.417 4.740 -0.568 0.000 0.189 279 N C 1.718 177.260 175.510 0.054 0.000 1.047 279 N CA 1.461 54.540 53.050 0.049 0.000 0.870 279 N CB -1.143 37.379 38.487 0.058 0.000 1.041 279 N HN -0.018 nan 8.380 nan 0.000 0.448 280 A N 0.707 123.586 122.820 0.099 0.000 2.067 280 A HA 0.022 4.002 4.320 -0.568 0.000 0.217 280 A C 0.900 178.497 177.584 0.021 0.000 1.156 280 A CA 0.614 52.699 52.037 0.080 0.000 0.683 280 A CB -0.102 18.987 19.000 0.148 0.000 0.808 280 A HN 0.315 nan 8.150 nan 0.000 0.455 281 K N -1.619 118.795 120.400 0.022 0.000 1.791 281 K HA -0.279 3.700 4.320 -0.568 0.000 0.140 281 K C 0.317 176.886 176.600 -0.052 0.000 1.312 281 K CA 1.862 58.139 56.287 -0.016 0.000 0.382 281 K CB -1.425 31.052 32.500 -0.040 0.000 0.635 281 K HN 0.385 nan 8.250 nan 0.000 0.838 282 D N 1.080 121.436 120.400 -0.072 0.000 2.378 282 D HA 0.029 4.328 4.640 -0.568 0.000 0.227 282 D C 0.824 177.052 176.300 -0.120 0.000 1.012 282 D CA 0.727 54.668 54.000 -0.098 0.000 0.905 282 D CB -0.009 40.755 40.800 -0.059 0.000 0.895 282 D HN 0.184 nan 8.370 nan 0.000 0.532 283 L N 0.103 121.264 121.223 -0.104 0.000 3.017 283 L HA 0.421 4.420 4.340 -0.568 0.000 0.255 283 L C 0.716 177.485 176.870 -0.169 0.000 1.247 283 L CA -0.581 54.182 54.840 -0.128 0.000 1.038 283 L CB 0.167 42.185 42.059 -0.069 0.000 1.380 283 L HN -0.020 nan 8.230 nan 0.000 0.548 284 A N -0.075 122.603 122.820 -0.237 0.000 2.267 284 A HA 0.611 4.590 4.320 -0.568 0.000 0.271 284 A C 0.843 178.002 177.584 -0.707 0.000 1.131 284 A CA 0.178 51.908 52.037 -0.512 0.000 0.818 284 A CB -0.051 18.739 19.000 -0.349 0.000 1.118 284 A HN 0.266 nan 8.150 nan 0.000 0.501 285 G N -1.153 106.849 108.800 -1.331 0.000 2.484 285 G HA2 0.266 3.885 3.960 -0.568 0.000 0.235 285 G HA3 0.266 3.885 3.960 -0.568 0.000 0.235 285 G C 0.687 175.374 174.900 -0.355 0.000 1.282 285 G CA -0.201 44.475 45.100 -0.708 0.000 0.857 285 G HN 0.755 nan 8.290 nan 0.000 0.571 286 R N 0.562 120.924 120.500 -0.229 0.000 2.096 286 R HA -0.104 3.895 4.340 -0.568 0.000 0.235 286 R C 2.260 178.487 176.300 -0.122 0.000 1.127 286 R CA 1.571 57.554 56.100 -0.195 0.000 0.968 286 R CB -0.048 30.142 30.300 -0.184 0.000 0.861 286 R HN 0.813 nan 8.270 nan 0.000 0.440 287 D N 0.283 120.641 120.400 -0.070 0.000 2.178 287 D HA -0.117 4.182 4.640 -0.568 0.000 0.201 287 D C 1.768 178.026 176.300 -0.069 0.000 0.980 287 D CA 0.982 54.960 54.000 -0.037 0.000 0.842 287 D CB -0.337 40.471 40.800 0.014 0.000 0.948 287 D HN 0.081 nan 8.370 nan 0.000 0.472 288 V N 0.818 120.693 119.914 -0.065 0.000 2.346 288 V HA -0.164 3.616 4.120 -0.568 0.000 0.244 288 V C 2.921 178.964 176.094 -0.084 0.000 1.037 288 V CA 0.974 63.251 62.300 -0.038 0.000 1.029 288 V CB -0.167 31.670 31.823 0.023 0.000 0.663 288 V HN 0.089 nan 8.190 nan 0.000 0.454 289 V N 0.561 120.403 119.914 -0.120 0.000 2.407 289 V HA -0.231 3.548 4.120 -0.568 0.000 0.248 289 V C 2.716 178.756 176.094 -0.089 0.000 1.055 289 V CA 1.922 64.157 62.300 -0.107 0.000 1.049 289 V CB -1.168 30.568 31.823 -0.146 0.000 0.662 289 V HN 0.539 nan 8.190 nan 0.000 0.455 290 A N 0.017 122.773 122.820 -0.107 0.000 1.902 290 A HA -0.222 3.757 4.320 -0.568 0.000 0.217 290 A C 2.412 179.908 177.584 -0.148 0.000 1.181 290 A CA 1.836 53.813 52.037 -0.101 0.000 0.623 290 A CB -0.478 18.472 19.000 -0.083 0.000 0.818 290 A HN 0.491 nan 8.150 nan 0.000 0.443 291 R N -0.364 120.019 120.500 -0.195 0.000 2.075 291 R HA -0.056 3.943 4.340 -0.568 0.000 0.232 291 R C 2.522 178.762 176.300 -0.099 0.000 1.126 291 R CA 1.412 57.397 56.100 -0.193 0.000 0.963 291 R CB -0.360 29.831 30.300 -0.183 0.000 0.858 291 R HN 0.515 nan 8.270 nan 0.000 0.435 292 S N 1.090 116.638 115.700 -0.253 0.000 2.370 292 S HA -0.124 4.005 4.470 -0.568 0.000 0.226 292 S C 1.952 176.315 174.600 -0.394 0.000 1.033 292 S CA 1.154 58.964 58.200 -0.651 0.000 1.011 292 S CB -0.179 62.616 63.200 -0.674 0.000 0.852 292 S HN 0.242 nan 8.310 nan 0.000 0.457 293 I N 1.023 121.523 120.570 -0.117 0.000 2.252 293 I HA -0.154 3.675 4.170 -0.568 0.000 0.245 293 I C 2.210 178.258 176.117 -0.116 0.000 1.102 293 I CA 0.936 62.183 61.300 -0.087 0.000 1.385 293 I CB -0.305 37.728 38.000 0.057 0.000 1.064 293 I HN 0.286 nan 8.210 nan 0.000 0.414 294 M N 0.087 119.666 119.600 -0.034 0.000 2.296 294 M HA -0.089 4.050 4.480 -0.568 0.000 0.265 294 M C 2.347 178.689 176.300 0.069 0.000 1.064 294 M CA 1.626 56.961 55.300 0.059 0.000 1.109 294 M CB -0.810 31.897 32.600 0.178 0.000 1.396 294 M HN 0.227 nan 8.290 nan 0.000 0.430 295 I N -0.287 120.311 120.570 0.045 0.000 2.353 295 I HA -0.231 3.598 4.170 -0.568 0.000 0.248 295 I C 2.356 178.445 176.117 -0.046 0.000 1.119 295 I CA 0.827 62.135 61.300 0.013 0.000 1.417 295 I CB -0.361 37.681 38.000 0.069 0.000 1.078 295 I HN 0.235 nan 8.210 nan 0.000 0.421 296 E N 1.060 121.168 120.200 -0.154 0.000 2.058 296 E HA -0.191 3.818 4.350 -0.568 0.000 0.194 296 E C 2.288 178.800 176.600 -0.147 0.000 0.997 296 E CA 1.412 57.682 56.400 -0.218 0.000 0.801 296 E CB -0.233 29.133 29.700 -0.556 0.000 0.746 296 E HN 0.528 nan 8.360 nan 0.000 0.450 297 I N 0.439 120.932 120.570 -0.129 0.000 2.202 297 I HA -0.228 3.602 4.170 -0.568 0.000 0.242 297 I C 2.768 178.849 176.117 -0.061 0.000 1.091 297 I CA 0.883 62.131 61.300 -0.087 0.000 1.368 297 I CB -0.289 37.677 38.000 -0.057 0.000 1.058 297 I HN 0.007 nan 8.210 nan 0.000 0.410 298 R N 1.072 121.542 120.500 -0.050 0.000 2.159 298 R HA -0.158 3.841 4.340 -0.568 0.000 0.237 298 R C 1.095 177.358 176.300 -0.061 0.000 1.131 298 R CA 1.298 57.364 56.100 -0.055 0.000 0.982 298 R CB 0.039 30.297 30.300 -0.071 0.000 0.868 298 R HN 0.441 nan 8.270 nan 0.000 0.453 299 E N -1.232 118.936 120.200 -0.053 0.000 2.437 299 E HA 0.129 4.138 4.350 -0.568 0.000 0.195 299 E C 0.282 176.864 176.600 -0.029 0.000 1.029 299 E CA 0.274 56.650 56.400 -0.041 0.000 0.948 299 E CB 0.983 30.667 29.700 -0.026 0.000 1.082 299 E HN 0.529 nan 8.360 nan 0.000 0.456 300 G N 2.149 110.925 108.800 -0.040 0.000 2.153 300 G HA2 -0.357 3.262 3.960 -0.568 0.000 0.252 300 G HA3 -0.357 3.262 3.960 -0.568 0.000 0.252 300 G C 0.847 175.721 174.900 -0.043 0.000 0.994 300 G CA 0.237 45.315 45.100 -0.037 0.000 0.698 300 G HN 0.308 nan 8.290 nan 0.000 0.521 301 R N 0.084 120.549 120.500 -0.057 0.000 2.362 301 R HA 0.299 4.298 4.340 -0.568 0.000 0.227 301 R C 1.592 177.802 176.300 -0.151 0.000 0.905 301 R CA 0.320 56.372 56.100 -0.081 0.000 1.067 301 R CB 0.560 30.863 30.300 0.004 0.000 1.078 301 R HN 0.364 nan 8.270 nan 0.000 0.516 302 G N 0.326 109.037 108.800 -0.148 0.000 2.507 302 G HA2 0.249 3.868 3.960 -0.568 0.000 0.271 302 G HA3 0.249 3.868 3.960 -0.568 0.000 0.271 302 G C -0.068 174.701 174.900 -0.218 0.000 1.189 302 G CA -0.517 44.476 45.100 -0.179 0.000 0.859 302 G HN 0.135 nan 8.290 nan 0.000 0.542 303 C N 0.484 119.577 119.300 -0.345 0.000 2.443 303 C HA 0.596 4.715 4.460 -0.568 0.000 0.369 303 C C 0.391 175.123 174.990 -0.431 0.000 1.241 303 C CA -0.486 58.292 59.018 -0.400 0.000 2.413 303 C CB 1.180 28.641 27.740 -0.466 0.000 2.451 303 C HN 0.788 nan 8.230 nan 0.000 0.595 304 D N -1.466 118.874 120.400 -0.100 0.000 2.687 304 D HA 0.749 5.048 4.640 -0.568 0.000 0.264 304 D C 0.123 176.629 176.300 0.344 0.000 1.091 304 D CA 0.670 54.737 54.000 0.112 0.000 1.123 304 D CB 2.193 43.026 40.800 0.055 0.000 1.407 304 D HN 0.948 nan 8.370 nan 0.000 0.591 305 G N -0.374 108.586 108.800 0.266 0.000 2.339 305 G HA2 0.019 3.638 3.960 -0.568 0.000 0.275 305 G HA3 0.019 3.638 3.960 -0.568 0.000 0.275 305 G C -2.283 172.570 174.900 -0.077 0.000 1.323 305 G CA -0.281 44.895 45.100 0.126 0.000 0.927 305 G HN 0.362 nan 8.290 nan 0.000 0.486 306 P HA 0.026 nan 4.420 nan 0.000 0.218 306 P C 1.348 178.428 177.300 -0.368 0.000 1.149 306 P CA 1.434 64.218 63.100 -0.527 0.000 0.817 306 P CB 0.030 31.209 31.700 -0.868 0.000 0.785 307 W N -0.225 121.081 121.300 0.009 0.000 2.678 307 W HA 0.315 4.636 4.660 -0.566 0.000 0.256 307 W C 1.025 177.573 176.519 0.049 0.000 1.280 307 W CA 0.944 58.278 57.345 -0.018 0.000 1.345 307 W CB -0.955 28.416 29.460 -0.147 0.000 1.118 307 W HN 0.017 nan 8.180 nan 0.000 0.629 308 G N 0.378 109.364 108.800 0.311 0.000 2.685 308 G HA2 -0.188 3.431 3.960 -0.568 0.000 0.387 308 G HA3 -0.188 3.431 3.960 -0.568 0.000 0.387 308 G C -2.956 172.158 174.900 0.357 0.000 1.324 308 G CA -1.409 43.840 45.100 0.249 0.000 0.878 308 G HN -0.274 nan 8.290 nan 0.000 0.527 309 P HA 0.250 nan 4.420 nan 0.000 0.264 309 P C 0.061 177.475 177.300 0.191 0.000 1.183 309 P CA 1.051 64.222 63.100 0.119 0.000 0.763 309 P CB 0.301 32.033 31.700 0.054 0.000 0.807 310 H N 0.432 119.533 119.070 0.052 0.000 2.887 310 H HA 0.740 4.961 4.556 -0.559 0.000 0.290 310 H C -1.913 173.424 175.328 0.015 0.000 1.429 310 H CA -1.208 54.858 56.048 0.030 0.000 1.137 310 H CB 0.575 30.350 29.762 0.022 0.000 1.824 310 H HN 0.422 nan 8.280 nan 0.000 0.520 311 A N 0.990 123.908 122.820 0.163 0.000 2.384 311 A HA 0.548 4.528 4.320 -0.568 0.000 0.312 311 A C -0.632 177.084 177.584 0.221 0.000 1.113 311 A CA -1.004 51.119 52.037 0.144 0.000 0.779 311 A CB 1.614 20.736 19.000 0.204 0.000 1.307 311 A HN 0.503 nan 8.150 nan 0.000 0.436 312 K N 0.924 121.427 120.400 0.172 0.000 2.183 312 K HA 0.373 4.352 4.320 -0.568 0.000 0.274 312 K C -1.488 175.138 176.600 0.043 0.000 1.009 312 K CA -0.556 55.788 56.287 0.095 0.000 0.888 312 K CB 1.689 34.236 32.500 0.078 0.000 1.078 312 K HN 0.470 nan 8.250 nan 0.000 0.459 313 L N 4.016 125.223 121.223 -0.026 0.000 2.283 313 L HA 0.236 4.235 4.340 -0.568 0.000 0.281 313 L C -0.176 176.624 176.870 -0.116 0.000 1.033 313 L CA -0.156 54.645 54.840 -0.064 0.000 0.848 313 L CB 0.518 42.538 42.059 -0.064 0.000 1.226 313 L HN 0.413 nan 8.230 nan 0.000 0.429 314 K N 4.504 124.792 120.400 -0.186 0.000 2.297 314 K HA 0.349 4.328 4.320 -0.568 0.000 0.286 314 K C 0.043 176.508 176.600 -0.225 0.000 1.053 314 K CA -0.097 56.055 56.287 -0.225 0.000 0.940 314 K CB 0.583 32.860 32.500 -0.372 0.000 1.019 314 K HN 0.838 nan 8.250 nan 0.000 0.475 315 L N 2.949 124.064 121.223 -0.180 0.000 3.227 315 L HA 0.063 4.063 4.340 -0.568 0.000 0.287 315 L C 1.131 177.805 176.870 -0.326 0.000 1.161 315 L CA 0.006 54.674 54.840 -0.287 0.000 1.048 315 L CB 0.220 42.167 42.059 -0.185 0.000 1.541 315 L HN 0.729 nan 8.230 nan 0.000 0.590 316 D N -0.181 120.132 120.400 -0.145 0.000 2.221 316 D HA -0.290 4.009 4.640 -0.568 0.000 0.204 316 D C 1.889 178.148 176.300 -0.069 0.000 0.982 316 D CA 1.579 55.532 54.000 -0.080 0.000 0.857 316 D CB -0.356 40.438 40.800 -0.010 0.000 0.934 316 D HN 0.543 nan 8.370 nan 0.000 0.475 317 H N 0.412 119.457 119.070 -0.043 0.000 2.559 317 H HA 0.061 4.275 4.556 -0.569 0.000 0.273 317 H C 1.764 177.093 175.328 0.002 0.000 1.000 317 H CA 0.409 56.453 56.048 -0.007 0.000 1.195 317 H CB -0.363 29.411 29.762 0.020 0.000 1.368 317 H HN 0.283 nan 8.280 nan 0.000 0.592 318 L N 0.500 121.505 121.223 -0.362 0.000 2.313 318 L HA 0.158 4.157 4.340 -0.568 0.000 0.214 318 L C 0.938 177.756 176.870 -0.087 0.000 1.119 318 L CA 0.595 55.306 54.840 -0.214 0.000 0.809 318 L CB -0.202 41.701 42.059 -0.260 0.000 0.933 318 L HN 0.560 nan 8.230 nan 0.000 0.449 319 G N 0.450 109.206 108.800 -0.073 0.000 2.719 319 G HA2 -0.229 3.390 3.960 -0.568 0.000 0.686 319 G HA3 -0.229 3.390 3.960 -0.568 0.000 0.686 319 G C 0.240 175.115 174.900 -0.041 0.000 1.201 319 G CA 0.014 45.092 45.100 -0.036 0.000 0.768 319 G HN 0.111 nan 8.290 nan 0.000 0.629 320 K N 0.276 120.659 120.400 -0.028 0.000 2.063 320 K HA -0.163 3.816 4.320 -0.568 0.000 0.208 320 K C 2.151 178.734 176.600 -0.028 0.000 1.048 320 K CA 2.170 58.441 56.287 -0.027 0.000 0.928 320 K CB -0.168 32.321 32.500 -0.018 0.000 0.713 320 K HN 0.672 nan 8.250 nan 0.000 0.442 321 E N 0.090 120.276 120.200 -0.024 0.000 2.023 321 E HA -0.190 3.819 4.350 -0.568 0.000 0.196 321 E C 1.915 178.495 176.600 -0.032 0.000 1.003 321 E CA 1.780 58.166 56.400 -0.025 0.000 0.809 321 E CB 0.006 29.695 29.700 -0.019 0.000 0.755 321 E HN 0.165 nan 8.360 nan 0.000 0.449 322 V N 1.332 121.226 119.914 -0.034 0.000 2.407 322 V HA -0.267 3.512 4.120 -0.568 0.000 0.248 322 V C 2.476 178.544 176.094 -0.044 0.000 1.055 322 V CA 1.525 63.801 62.300 -0.039 0.000 1.049 322 V CB -0.440 31.363 31.823 -0.033 0.000 0.662 322 V HN 0.343 nan 8.190 nan 0.000 0.455 323 L N -0.438 120.756 121.223 -0.047 0.000 2.017 323 L HA -0.188 3.811 4.340 -0.568 0.000 0.208 323 L C 2.551 179.399 176.870 -0.037 0.000 1.073 323 L CA 1.758 56.570 54.840 -0.047 0.000 0.745 323 L CB -0.563 41.464 42.059 -0.054 0.000 0.894 323 L HN 0.373 nan 8.230 nan 0.000 0.432 324 E N -1.087 119.092 120.200 -0.035 0.000 2.274 324 E HA -0.156 3.853 4.350 -0.568 0.000 0.194 324 E C 2.235 178.814 176.600 -0.036 0.000 0.996 324 E CA 1.035 57.417 56.400 -0.031 0.000 0.840 324 E CB 0.124 29.807 29.700 -0.027 0.000 0.772 324 E HN 0.297 nan 8.360 nan 0.000 0.491 325 S N 0.034 115.707 115.700 -0.044 0.000 2.387 325 S HA -0.001 4.128 4.470 -0.568 0.000 0.221 325 S C 1.830 176.387 174.600 -0.071 0.000 1.041 325 S CA 0.388 58.553 58.200 -0.059 0.000 0.959 325 S CB 0.247 63.406 63.200 -0.069 0.000 0.843 325 S HN 0.048 nan 8.310 nan 0.000 0.488 326 R N 0.380 120.840 120.500 -0.066 0.000 2.206 326 R HA 0.388 4.387 4.340 -0.568 0.000 0.198 326 R C 0.269 176.566 176.300 -0.005 0.000 0.986 326 R CA 0.362 56.428 56.100 -0.057 0.000 1.029 326 R CB -0.351 29.920 30.300 -0.049 0.000 0.966 326 R HN 0.388 nan 8.270 nan 0.000 0.487 327 L N 2.014 123.230 121.223 -0.010 0.000 2.861 327 L HA 0.276 4.275 4.340 -0.568 0.000 0.290 327 L C -1.769 175.095 176.870 -0.009 0.000 1.346 327 L CA -1.020 53.821 54.840 0.001 0.000 0.779 327 L CB 1.727 43.786 42.059 -0.001 0.000 1.143 327 L HN -0.139 nan 8.230 nan 0.000 0.548 328 P HA -0.092 nan 4.420 nan 0.000 0.219 328 P C 1.616 178.910 177.300 -0.010 0.000 1.150 328 P CA 1.247 64.337 63.100 -0.017 0.000 0.814 328 P CB 0.407 32.092 31.700 -0.025 0.000 0.787 329 G N 1.618 110.414 108.800 -0.007 0.000 2.446 329 G HA2 -0.250 3.369 3.960 -0.568 0.000 0.217 329 G HA3 -0.250 3.369 3.960 -0.568 0.000 0.217 329 G C 1.470 176.379 174.900 0.015 0.000 1.168 329 G CA 1.324 46.424 45.100 0.000 0.000 0.771 329 G HN 0.393 nan 8.290 nan 0.000 0.551 330 I N -1.048 119.529 120.570 0.011 0.000 2.830 330 I HA 0.145 3.974 4.170 -0.568 0.000 0.263 330 I C 2.290 178.415 176.117 0.013 0.000 1.230 330 I CA 0.648 61.955 61.300 0.011 0.000 1.480 330 I CB -0.292 37.706 38.000 -0.003 0.000 1.095 330 I HN 0.073 nan 8.210 nan 0.000 0.455 331 L N 0.547 121.773 121.223 0.006 0.000 2.027 331 L HA -0.134 3.865 4.340 -0.568 0.000 0.206 331 L C 2.631 179.514 176.870 0.021 0.000 1.074 331 L CA 1.674 56.517 54.840 0.005 0.000 0.745 331 L CB -0.607 41.448 42.059 -0.006 0.000 0.898 331 L HN 0.297 nan 8.230 nan 0.000 0.433 332 E N 0.060 120.275 120.200 0.026 0.000 2.072 332 E HA -0.176 3.833 4.350 -0.568 0.000 0.191 332 E C 2.355 179.005 176.600 0.083 0.000 0.985 332 E CA 0.895 57.317 56.400 0.038 0.000 0.801 332 E CB -0.043 29.674 29.700 0.028 0.000 0.750 332 E HN 0.386 nan 8.360 nan 0.000 0.452 333 L N 0.401 121.697 121.223 0.122 0.000 2.017 333 L HA -0.202 3.797 4.340 -0.568 0.000 0.208 333 L C 2.665 179.677 176.870 0.237 0.000 1.073 333 L CA 1.101 56.086 54.840 0.241 0.000 0.745 333 L CB -0.494 41.657 42.059 0.153 0.000 0.894 333 L HN 0.148 nan 8.230 nan 0.000 0.432 334 S N -0.187 115.582 115.700 0.116 0.000 2.368 334 S HA -0.157 3.972 4.470 -0.568 0.000 0.224 334 S C 2.117 176.776 174.600 0.099 0.000 1.029 334 S CA 1.171 59.419 58.200 0.080 0.000 0.988 334 S CB -0.065 63.145 63.200 0.016 0.000 0.838 334 S HN 0.313 nan 8.310 nan 0.000 0.462 335 R N -0.118 120.432 120.500 0.083 0.000 2.115 335 R HA 0.004 4.003 4.340 -0.568 0.000 0.230 335 R C 2.351 178.724 176.300 0.121 0.000 1.111 335 R CA 1.793 57.949 56.100 0.092 0.000 0.976 335 R CB -0.540 29.787 30.300 0.046 0.000 0.870 335 R HN 0.382 nan 8.270 nan 0.000 0.445 336 T N -0.189 114.385 114.554 0.034 0.000 2.852 336 T HA 0.017 4.026 4.350 -0.568 0.000 0.256 336 T C 1.005 175.524 174.700 -0.301 0.000 1.038 336 T CA 1.026 63.027 62.100 -0.165 0.000 1.141 336 T CB -0.009 68.617 68.868 -0.403 0.000 0.869 336 T HN 0.091 nan 8.240 nan 0.000 0.439 337 F N 0.244 120.213 119.950 0.031 0.000 2.721 337 F HA 0.560 4.746 4.527 -0.568 0.000 0.301 337 F C 1.848 177.619 175.800 -0.049 0.000 1.096 337 F CA -0.300 57.683 58.000 -0.027 0.000 1.308 337 F CB 0.304 39.304 39.000 0.000 0.000 1.086 337 F HN 0.135 nan 8.300 nan 0.000 0.587 338 A N -2.180 120.717 122.820 0.128 0.000 2.498 338 A HA 0.262 4.241 4.320 -0.568 0.000 0.238 338 A C 0.178 177.949 177.584 0.312 0.000 1.225 338 A CA -0.068 52.088 52.037 0.198 0.000 0.978 338 A CB -0.346 18.680 19.000 0.042 0.000 1.142 338 A HN 0.276 nan 8.150 nan 0.000 0.552 339 H N -1.016 118.160 119.070 0.177 0.000 2.741 339 H HA -0.139 4.076 4.556 -0.567 0.000 0.305 339 H C -0.556 174.861 175.328 0.148 0.000 1.169 339 H CA 0.811 56.938 56.048 0.132 0.000 1.144 339 H CB -2.372 27.465 29.762 0.124 0.000 1.397 339 H HN 0.250 nan 8.280 nan 0.000 0.409 340 V N 0.731 120.771 119.914 0.210 0.000 2.531 340 V HA 0.191 3.970 4.120 -0.568 0.000 0.301 340 V C 0.281 176.408 176.094 0.055 0.000 1.034 340 V CA -0.935 61.433 62.300 0.114 0.000 0.865 340 V CB 2.479 34.312 31.823 0.015 0.000 0.995 340 V HN 0.237 nan 8.190 nan 0.000 0.424 341 D N 6.596 127.021 120.400 0.041 0.000 2.380 341 D HA 0.359 4.658 4.640 -0.568 0.000 0.230 341 D C -1.668 174.629 176.300 -0.005 0.000 1.154 341 D CA -2.127 51.883 54.000 0.017 0.000 0.859 341 D CB 2.077 42.886 40.800 0.016 0.000 1.045 341 D HN 0.179 nan 8.370 nan 0.000 0.495 342 P HA -0.137 nan 4.420 nan 0.000 0.221 342 P C 1.343 178.616 177.300 -0.045 0.000 1.145 342 P CA 0.474 63.548 63.100 -0.042 0.000 0.795 342 P CB 0.352 32.024 31.700 -0.047 0.000 0.775 343 V N -0.316 119.579 119.914 -0.031 0.000 2.809 343 V HA -0.152 3.627 4.120 -0.568 0.000 0.256 343 V C 1.974 178.057 176.094 -0.019 0.000 1.080 343 V CA 1.659 63.941 62.300 -0.030 0.000 1.102 343 V CB -0.772 31.039 31.823 -0.021 0.000 0.705 343 V HN 0.227 nan 8.190 nan 0.000 0.475 344 K N -0.561 119.833 120.400 -0.010 0.000 2.424 344 K HA 0.293 4.272 4.320 -0.568 0.000 0.198 344 K C 0.656 177.259 176.600 0.006 0.000 1.190 344 K CA 0.080 56.369 56.287 0.003 0.000 0.935 344 K CB 1.396 33.903 32.500 0.012 0.000 1.087 344 K HN 0.444 nan 8.250 nan 0.000 0.524 345 E N 1.539 121.736 120.200 -0.004 0.000 2.340 345 E HA 0.307 4.316 4.350 -0.568 0.000 0.273 345 E C -2.859 173.715 176.600 -0.042 0.000 0.891 345 E CA -2.480 53.916 56.400 -0.007 0.000 0.757 345 E CB 2.607 32.315 29.700 0.013 0.000 1.231 345 E HN -0.245 nan 8.360 nan 0.000 0.439 346 P HA 0.101 nan 4.420 nan 0.000 0.269 346 P C -0.688 176.524 177.300 -0.146 0.000 1.215 346 P CA 0.228 63.276 63.100 -0.085 0.000 0.780 346 P CB 0.435 32.100 31.700 -0.057 0.000 0.898 347 I N 3.622 124.099 120.570 -0.156 0.000 2.365 347 I HA 0.229 4.058 4.170 -0.568 0.000 0.291 347 I C -2.093 173.847 176.117 -0.295 0.000 1.004 347 I CA -2.547 58.618 61.300 -0.224 0.000 1.311 347 I CB 1.118 39.028 38.000 -0.150 0.000 1.401 347 I HN 0.108 nan 8.210 nan 0.000 0.491 348 P HA 0.114 nan 4.420 nan 0.000 0.275 348 P C -0.728 176.370 177.300 -0.337 0.000 1.276 348 P CA -0.084 62.593 63.100 -0.705 0.000 0.782 348 P CB 0.554 31.299 31.700 -1.591 0.000 0.851 349 V N 2.504 122.362 119.914 -0.094 0.000 2.914 349 V HA 0.739 4.518 4.120 -0.568 0.000 0.314 349 V C -0.614 175.522 176.094 0.069 0.000 1.084 349 V CA -1.136 61.155 62.300 -0.015 0.000 0.963 349 V CB 2.660 34.481 31.823 -0.002 0.000 1.025 349 V HN 0.420 nan 8.190 nan 0.000 0.432 350 I N 1.970 122.579 120.570 0.065 0.000 2.722 350 I HA 0.564 4.393 4.170 -0.568 0.000 0.292 350 I C -2.875 173.289 176.117 0.078 0.000 1.267 350 I CA -2.261 59.086 61.300 0.080 0.000 1.036 350 I CB 3.201 41.256 38.000 0.092 0.000 1.281 350 I HN 0.550 nan 8.210 nan 0.000 0.423 351 P HA 0.056 nan 4.420 nan 0.000 0.261 351 P C -1.338 176.062 177.300 0.167 0.000 1.173 351 P CA 0.497 63.658 63.100 0.102 0.000 0.760 351 P CB 0.299 32.014 31.700 0.026 0.000 0.783 352 T N 2.585 117.274 114.554 0.225 0.000 2.916 352 T HA 0.175 4.184 4.350 -0.568 0.000 0.298 352 T C -0.498 174.288 174.700 0.142 0.000 1.031 352 T CA -0.399 61.822 62.100 0.201 0.000 0.993 352 T CB 0.968 69.895 68.868 0.098 0.000 1.045 352 T HN 0.424 nan 8.240 nan 0.000 0.454 353 C N 3.537 122.782 119.300 -0.092 0.000 2.437 353 C HA 0.103 4.222 4.460 -0.568 0.000 0.399 353 C C 1.439 176.335 174.990 -0.155 0.000 1.478 353 C CA 1.032 59.670 59.018 -0.633 0.000 1.538 353 C CB -1.366 25.838 27.740 -0.894 0.000 2.506 353 C HN 1.151 nan 8.230 nan 0.000 0.603 354 H N 2.464 121.438 119.070 -0.161 0.000 2.089 354 H HA 0.286 4.503 4.556 -0.565 0.000 0.206 354 H C -0.801 174.631 175.328 0.173 0.000 0.872 354 H CA 0.534 56.615 56.048 0.054 0.000 0.979 354 H CB 0.184 30.039 29.762 0.155 0.000 1.266 354 H HN 0.722 nan 8.280 nan 0.000 0.389 355 Y N 1.160 121.443 120.300 -0.028 0.000 2.492 355 Y HA 0.376 4.585 4.550 -0.570 0.000 0.346 355 Y C -1.157 174.633 175.900 -0.183 0.000 0.997 355 Y CA -1.286 56.733 58.100 -0.136 0.000 1.025 355 Y CB 1.712 40.101 38.460 -0.119 0.000 1.263 355 Y HN 0.178 nan 8.280 nan 0.000 0.454 356 M N 7.274 126.248 119.600 -1.044 0.000 2.069 356 M HA 0.231 4.370 4.480 -0.568 0.000 0.349 356 M C -0.493 175.213 176.300 -0.990 0.000 1.194 356 M CA -0.242 54.242 55.300 -1.360 0.000 1.081 356 M CB 0.874 32.653 32.600 -1.368 0.000 1.500 356 M HN 1.044 nan 8.290 nan 0.000 0.438 357 M N 3.123 122.425 119.600 -0.496 0.000 2.394 357 M HA 0.150 4.289 4.480 -0.568 0.000 0.264 357 M C 1.125 177.332 176.300 -0.155 0.000 1.073 357 M CA 0.721 55.973 55.300 -0.080 0.000 1.111 357 M CB -0.071 32.561 32.600 0.054 0.000 1.401 357 M HN 0.750 nan 8.290 nan 0.000 0.448 358 G N -1.092 107.501 108.800 -0.345 0.000 2.588 358 G HA2 0.583 4.202 3.960 -0.568 0.000 0.281 358 G HA3 0.583 4.202 3.960 -0.568 0.000 0.281 358 G C 0.028 174.781 174.900 -0.245 0.000 1.236 358 G CA -0.091 44.863 45.100 -0.244 0.000 0.969 358 G HN 0.528 nan 8.290 nan 0.000 0.504 359 G N -1.675 107.027 108.800 -0.163 0.000 2.356 359 G HA2 0.228 3.847 3.960 -0.568 0.000 0.266 359 G HA3 0.228 3.847 3.960 -0.568 0.000 0.266 359 G C -0.988 173.854 174.900 -0.096 0.000 1.312 359 G CA -0.805 44.213 45.100 -0.137 0.000 0.922 359 G HN 0.738 nan 8.290 nan 0.000 0.480 360 I N 3.313 123.830 120.570 -0.087 0.000 2.436 360 I HA 0.253 4.082 4.170 -0.568 0.000 0.289 360 I C -1.728 174.327 176.117 -0.103 0.000 1.083 360 I CA -1.531 59.723 61.300 -0.078 0.000 1.372 360 I CB 1.315 39.276 38.000 -0.064 0.000 1.408 360 I HN 0.149 nan 8.210 nan 0.000 0.516 361 P HA 0.030 nan 4.420 nan 0.000 0.264 361 P C -0.459 176.757 177.300 -0.141 0.000 1.193 361 P CA 0.150 63.163 63.100 -0.145 0.000 0.763 361 P CB 0.457 32.077 31.700 -0.133 0.000 0.810 362 T N 0.090 114.545 114.554 -0.164 0.000 2.900 362 T HA 0.512 4.521 4.350 -0.568 0.000 0.303 362 T C -0.227 174.376 174.700 -0.162 0.000 1.142 362 T CA -1.072 60.937 62.100 -0.152 0.000 1.007 362 T CB 1.778 70.562 68.868 -0.139 0.000 1.156 362 T HN 0.125 nan 8.240 nan 0.000 0.490 363 K N 0.677 120.997 120.400 -0.132 0.000 2.117 363 K HA 0.495 4.474 4.320 -0.568 0.000 0.240 363 K C 1.270 177.795 176.600 -0.125 0.000 1.031 363 K CA -0.846 55.366 56.287 -0.124 0.000 0.909 363 K CB 0.593 33.029 32.500 -0.106 0.000 1.097 363 K HN 0.324 nan 8.250 nan 0.000 0.492 364 V N 1.074 120.913 119.914 -0.126 0.000 2.568 364 V HA -0.239 3.540 4.120 -0.568 0.000 0.253 364 V C 2.206 178.266 176.094 -0.057 0.000 1.072 364 V CA 2.389 64.637 62.300 -0.086 0.000 1.084 364 V CB -1.045 30.618 31.823 -0.267 0.000 0.676 364 V HN 1.029 nan 8.190 nan 0.000 0.469 365 T N -2.923 111.568 114.554 -0.105 0.000 3.072 365 T HA 0.187 4.196 4.350 -0.568 0.000 0.266 365 T C 1.629 176.419 174.700 0.149 0.000 1.127 365 T CA 1.191 63.274 62.100 -0.027 0.000 1.107 365 T CB 0.372 69.207 68.868 -0.054 0.000 0.910 365 T HN 0.898 nan 8.240 nan 0.000 0.513 366 G N 0.676 109.544 108.800 0.113 0.000 2.213 366 G HA2 -0.240 3.379 3.960 -0.568 0.000 0.236 366 G HA3 -0.240 3.379 3.960 -0.568 0.000 0.236 366 G C -0.039 174.972 174.900 0.185 0.000 0.991 366 G CA -0.112 45.096 45.100 0.180 0.000 0.629 366 G HN 0.664 nan 8.290 nan 0.000 0.517 367 Q N 1.092 120.940 119.800 0.079 0.000 2.286 367 Q HA 0.491 4.490 4.340 -0.568 0.000 0.290 367 Q C 0.785 176.635 176.000 -0.250 0.000 1.049 367 Q CA 0.335 55.961 55.803 -0.295 0.000 0.923 367 Q CB 0.873 29.461 28.738 -0.249 0.000 1.183 367 Q HN 0.829 nan 8.270 nan 0.000 0.383 368 A N 3.829 126.452 122.820 -0.328 0.000 2.407 368 A HA 0.464 4.443 4.320 -0.568 0.000 0.248 368 A C -0.440 177.037 177.584 -0.179 0.000 1.082 368 A CA -0.299 51.617 52.037 -0.203 0.000 0.785 368 A CB 0.408 19.303 19.000 -0.175 0.000 1.020 368 A HN 0.707 nan 8.150 nan 0.000 0.489 369 L N 0.823 121.965 121.223 -0.134 0.000 2.354 369 L HA 0.702 4.701 4.340 -0.568 0.000 0.269 369 L C 0.416 177.231 176.870 -0.091 0.000 1.005 369 L CA -0.429 54.343 54.840 -0.113 0.000 0.819 369 L CB 2.381 44.376 42.059 -0.107 0.000 1.311 369 L HN 0.847 nan 8.230 nan 0.000 0.423 370 T N 0.765 115.272 114.554 -0.079 0.000 2.716 370 T HA 0.737 4.746 4.350 -0.568 0.000 0.286 370 T C -1.470 173.196 174.700 -0.056 0.000 1.052 370 T CA -0.436 61.625 62.100 -0.064 0.000 1.024 370 T CB 1.943 70.775 68.868 -0.061 0.000 1.349 370 T HN 0.425 nan 8.240 nan 0.000 0.525 371 V N 1.941 121.825 119.914 -0.051 0.000 2.680 371 V HA 0.794 4.573 4.120 -0.568 0.000 0.309 371 V C -0.208 175.861 176.094 -0.042 0.000 1.052 371 V CA -1.162 61.112 62.300 -0.044 0.000 0.908 371 V CB 1.408 33.208 31.823 -0.039 0.000 1.001 371 V HN 1.023 nan 8.190 nan 0.000 0.431 372 N N 2.213 120.891 118.700 -0.036 0.000 2.418 372 N HA 0.205 4.604 4.740 -0.568 0.000 0.283 372 N C 0.909 176.400 175.510 -0.032 0.000 1.267 372 N CA -0.063 52.967 53.050 -0.034 0.000 0.975 372 N CB 0.079 38.548 38.487 -0.029 0.000 1.167 372 N HN 0.857 nan 8.380 nan 0.000 0.581 373 E N -0.538 119.645 120.200 -0.029 0.000 2.267 373 E HA -0.216 3.793 4.350 -0.568 0.000 0.197 373 E C 0.613 177.199 176.600 -0.024 0.000 0.998 373 E CA 1.151 57.535 56.400 -0.028 0.000 0.830 373 E CB -0.354 29.332 29.700 -0.024 0.000 0.751 373 E HN 0.598 nan 8.360 nan 0.000 0.491 374 K N -0.076 120.311 120.400 -0.022 0.000 2.400 374 K HA 0.112 4.091 4.320 -0.568 0.000 0.194 374 K C 1.120 177.709 176.600 -0.018 0.000 1.033 374 K CA 0.475 56.751 56.287 -0.018 0.000 1.021 374 K CB 0.545 33.035 32.500 -0.016 0.000 0.808 374 K HN 0.336 nan 8.250 nan 0.000 0.505 375 G N 2.013 110.800 108.800 -0.022 0.000 2.157 375 G HA2 -0.255 3.364 3.960 -0.568 0.000 0.239 375 G HA3 -0.255 3.364 3.960 -0.568 0.000 0.239 375 G C -0.398 174.491 174.900 -0.018 0.000 0.982 375 G CA -0.176 44.912 45.100 -0.020 0.000 0.650 375 G HN 0.360 nan 8.290 nan 0.000 0.527 376 E N 0.935 121.123 120.200 -0.020 0.000 2.343 376 E HA 0.390 4.400 4.350 -0.568 0.000 0.269 376 E C -0.550 176.034 176.600 -0.026 0.000 1.047 376 E CA -0.675 55.713 56.400 -0.020 0.000 0.874 376 E CB 0.681 30.369 29.700 -0.019 0.000 1.033 376 E HN 0.202 nan 8.360 nan 0.000 0.409 377 D N 1.562 121.946 120.400 -0.027 0.000 2.390 377 D HA 0.161 4.460 4.640 -0.568 0.000 0.249 377 D C -0.628 175.647 176.300 -0.042 0.000 1.144 377 D CA 0.036 54.013 54.000 -0.038 0.000 0.880 377 D CB 1.231 42.007 40.800 -0.040 0.000 1.182 377 D HN 0.166 nan 8.370 nan 0.000 0.451 378 V N 0.371 120.254 119.914 -0.051 0.000 2.760 378 V HA 0.452 4.231 4.120 -0.568 0.000 0.309 378 V C -0.406 175.645 176.094 -0.072 0.000 1.077 378 V CA -0.883 61.384 62.300 -0.054 0.000 0.910 378 V CB 1.835 33.630 31.823 -0.046 0.000 1.008 378 V HN 0.210 nan 8.190 nan 0.000 0.424 379 V N 5.234 125.099 119.914 -0.081 0.000 2.655 379 V HA 0.169 3.949 4.120 -0.568 0.000 0.300 379 V C 0.572 176.596 176.094 -0.117 0.000 1.044 379 V CA -0.033 62.199 62.300 -0.114 0.000 1.095 379 V CB 1.431 33.182 31.823 -0.121 0.000 0.952 379 V HN 0.792 nan 8.190 nan 0.000 0.485 380 V N 8.123 127.948 119.914 -0.149 0.000 2.370 380 V HA 0.174 3.953 4.120 -0.568 0.000 0.257 380 V C -2.081 173.913 176.094 -0.166 0.000 1.064 380 V CA -1.570 60.650 62.300 -0.134 0.000 0.975 380 V CB 0.618 32.365 31.823 -0.128 0.000 1.067 380 V HN 0.802 nan 8.190 nan 0.000 0.485 381 P HA 0.188 nan 4.420 nan 0.000 0.260 381 P C 1.058 178.321 177.300 -0.062 0.000 1.185 381 P CA 1.335 64.385 63.100 -0.083 0.000 0.763 381 P CB 0.498 32.178 31.700 -0.034 0.000 0.776 382 G N 1.976 110.742 108.800 -0.057 0.000 2.213 382 G HA2 -0.229 3.390 3.960 -0.568 0.000 0.236 382 G HA3 -0.229 3.390 3.960 -0.568 0.000 0.236 382 G C -0.356 174.593 174.900 0.083 0.000 0.991 382 G CA -0.232 44.921 45.100 0.087 0.000 0.629 382 G HN 0.576 nan 8.290 nan 0.000 0.517 383 L N 0.909 122.019 121.223 -0.188 0.000 2.317 383 L HA 0.915 4.914 4.340 -0.568 0.000 0.281 383 L C -0.584 176.013 176.870 -0.454 0.000 1.024 383 L CA -1.275 53.481 54.840 -0.140 0.000 0.810 383 L CB 0.893 42.886 42.059 -0.110 0.000 1.240 383 L HN 0.070 nan 8.230 nan 0.000 0.427 384 F N 2.980 122.919 119.950 -0.020 0.000 2.650 384 F HA 0.889 5.075 4.527 -0.568 0.000 0.320 384 F C -0.156 175.625 175.800 -0.033 0.000 1.091 384 F CA -0.554 57.431 58.000 -0.024 0.000 0.962 384 F CB 2.103 41.095 39.000 -0.013 0.000 1.363 384 F HN 0.578 nan 8.300 nan 0.000 0.482 385 A N 0.936 123.851 122.820 0.158 0.000 2.513 385 A HA 0.764 4.743 4.320 -0.568 0.000 0.296 385 A C -1.797 175.816 177.584 0.048 0.000 1.052 385 A CA -0.704 51.370 52.037 0.061 0.000 0.714 385 A CB 1.351 20.349 19.000 -0.003 0.000 1.279 385 A HN 1.243 nan 8.150 nan 0.000 0.397 386 V N -0.309 119.630 119.914 0.043 0.000 2.971 386 V HA 1.017 4.796 4.120 -0.568 0.000 0.309 386 V C 0.438 176.565 176.094 0.054 0.000 1.130 386 V CA 0.222 62.557 62.300 0.059 0.000 0.964 386 V CB 0.845 32.727 31.823 0.098 0.000 1.029 386 V HN 2.960 nan 8.190 nan 0.000 0.427 387 G N 2.335 111.186 108.800 0.085 0.000 2.482 387 G HA2 -0.190 3.429 3.960 -0.568 0.000 0.214 387 G HA3 -0.190 3.429 3.960 -0.568 0.000 0.214 387 G C 0.442 175.394 174.900 0.088 0.000 1.271 387 G CA 0.596 45.760 45.100 0.106 0.000 0.944 387 G HN 1.429 nan 8.290 nan 0.000 0.568 388 E N -0.614 119.623 120.200 0.063 0.000 2.478 388 E HA 0.030 4.039 4.350 -0.568 0.000 0.198 388 E C 2.271 178.779 176.600 -0.155 0.000 1.046 388 E CA 1.017 57.384 56.400 -0.056 0.000 0.870 388 E CB -0.079 29.532 29.700 -0.147 0.000 0.818 388 E HN 0.439 nan 8.360 nan 0.000 0.527 389 I N 0.349 120.868 120.570 -0.085 0.000 3.059 389 I HA 0.122 3.951 4.170 -0.568 0.000 0.270 389 I C 0.502 176.565 176.117 -0.089 0.000 1.238 389 I CA 0.140 61.382 61.300 -0.096 0.000 1.478 389 I CB -0.027 37.936 38.000 -0.062 0.000 1.097 389 I HN 0.029 nan 8.210 nan 0.000 0.455 390 A N -0.480 122.298 122.820 -0.069 0.000 2.279 390 A HA 0.529 4.508 4.320 -0.568 0.000 0.303 390 A C -0.412 177.114 177.584 -0.097 0.000 1.108 390 A CA -0.392 51.594 52.037 -0.085 0.000 0.830 390 A CB 0.660 19.606 19.000 -0.090 0.000 1.106 390 A HN 0.350 nan 8.150 nan 0.000 0.493 391 C N 3.094 122.317 119.300 -0.128 0.000 2.814 391 C HA 0.458 4.577 4.460 -0.568 0.000 0.269 391 C C 1.321 176.191 174.990 -0.201 0.000 1.090 391 C CA -0.411 58.528 59.018 -0.133 0.000 1.492 391 C CB -1.285 26.377 27.740 -0.129 0.000 1.825 391 C HN 0.656 nan 8.230 nan 0.000 0.442 392 V N 3.206 122.970 119.914 -0.250 0.000 2.295 392 V HA -0.024 3.755 4.120 -0.568 0.000 0.246 392 V C 1.445 177.390 176.094 -0.249 0.000 1.049 392 V CA 1.948 64.045 62.300 -0.338 0.000 1.024 392 V CB -0.327 31.138 31.823 -0.598 0.000 0.648 392 V HN 0.821 nan 8.190 nan 0.000 0.447 393 S N -0.583 115.008 115.700 -0.182 0.000 2.454 393 S HA 0.414 4.543 4.470 -0.568 0.000 0.306 393 S C 0.205 174.738 174.600 -0.111 0.000 1.100 393 S CA -0.263 57.854 58.200 -0.137 0.000 1.087 393 S CB 1.889 65.074 63.200 -0.025 0.000 1.019 393 S HN 0.264 nan 8.310 nan 0.000 0.480 394 V N 2.809 122.560 119.914 -0.272 0.000 3.578 394 V HA 0.435 4.215 4.120 -0.568 0.000 0.290 394 V C 0.856 176.738 176.094 -0.353 0.000 1.376 394 V CA 0.217 62.341 62.300 -0.293 0.000 1.083 394 V CB -0.752 30.893 31.823 -0.297 0.000 0.911 394 V HN 0.926 nan 8.190 nan 0.000 0.433 395 H N 0.580 119.688 119.070 0.063 0.000 3.058 395 H HA 0.450 4.666 4.556 -0.568 0.000 0.258 395 H C 1.843 177.205 175.328 0.057 0.000 1.015 395 H CA 0.446 56.526 56.048 0.054 0.000 1.210 395 H CB 0.861 30.664 29.762 0.068 0.000 1.481 395 H HN 0.507 nan 8.280 nan 0.000 0.492 396 G N 1.608 110.505 108.800 0.162 0.000 2.629 396 G HA2 -0.414 3.205 3.960 -0.568 0.000 0.313 396 G HA3 -0.414 3.205 3.960 -0.568 0.000 0.313 396 G C 1.216 176.194 174.900 0.130 0.000 1.217 396 G CA 1.564 46.747 45.100 0.139 0.000 0.994 396 G HN 0.598 nan 8.290 nan 0.000 0.549 397 A N 0.147 123.026 122.820 0.098 0.000 2.308 397 A HA 0.572 4.551 4.320 -0.568 0.000 0.217 397 A C 0.746 178.393 177.584 0.104 0.000 1.216 397 A CA 1.565 53.661 52.037 0.098 0.000 0.864 397 A CB -0.138 18.917 19.000 0.092 0.000 0.902 397 A HN 1.722 nan 8.150 nan 0.000 0.499 398 N N -0.718 118.042 118.700 0.100 0.000 2.839 398 N HA 0.162 4.561 4.740 -0.568 0.000 0.258 398 N C -1.006 174.551 175.510 0.079 0.000 1.150 398 N CA -0.393 52.708 53.050 0.086 0.000 0.957 398 N CB 0.878 39.407 38.487 0.069 0.000 1.560 398 N HN 0.243 nan 8.380 nan 0.000 0.588 399 R N 3.718 124.242 120.500 0.041 0.000 2.441 399 R HA 0.430 4.430 4.340 -0.568 0.000 0.284 399 R C -0.463 175.826 176.300 -0.019 0.000 1.070 399 R CA -0.390 55.691 56.100 -0.031 0.000 1.047 399 R CB 0.566 30.605 30.300 -0.435 0.000 1.016 399 R HN 0.545 nan 8.270 nan 0.000 0.477 400 L N 2.865 124.117 121.223 0.048 0.000 2.371 400 L HA 0.283 4.283 4.340 -0.568 0.000 0.272 400 L C 1.028 177.950 176.870 0.086 0.000 1.124 400 L CA -0.536 54.352 54.840 0.080 0.000 0.816 400 L CB 1.191 43.336 42.059 0.143 0.000 1.129 400 L HN 0.825 nan 8.230 nan 0.000 0.448 401 G N 0.748 109.659 108.800 0.185 0.000 2.272 401 G HA2 0.347 3.966 3.960 -0.568 0.000 0.247 401 G HA3 0.347 3.966 3.960 -0.568 0.000 0.247 401 G C 0.934 175.905 174.900 0.119 0.000 1.272 401 G CA 0.512 45.825 45.100 0.354 0.000 0.921 401 G HN 1.056 nan 8.290 nan 0.000 0.495 402 G N 2.483 111.256 108.800 -0.046 0.000 2.194 402 G HA2 -0.294 3.325 3.960 -0.568 0.000 0.236 402 G HA3 -0.294 3.325 3.960 -0.568 0.000 0.236 402 G C 1.154 176.033 174.900 -0.035 0.000 0.987 402 G CA 0.523 45.510 45.100 -0.188 0.000 0.635 402 G HN 0.657 nan 8.290 nan 0.000 0.520 403 N N 0.516 119.238 118.700 0.037 0.000 2.446 403 N HA 0.139 4.538 4.740 -0.568 0.000 0.179 403 N C 2.124 177.733 175.510 0.166 0.000 1.054 403 N CA 1.321 54.463 53.050 0.154 0.000 0.905 403 N CB 0.024 38.659 38.487 0.247 0.000 0.973 403 N HN 0.431 nan 8.380 nan 0.000 0.448 404 S N 0.287 115.976 115.700 -0.018 0.000 2.345 404 S HA 0.102 4.231 4.470 -0.568 0.000 0.219 404 S C 1.832 176.496 174.600 0.105 0.000 1.031 404 S CA 0.562 58.749 58.200 -0.022 0.000 0.984 404 S CB -0.189 62.901 63.200 -0.183 0.000 0.874 404 S HN 0.203 nan 8.310 nan 0.000 0.451 405 L N 1.114 122.377 121.223 0.067 0.000 2.079 405 L HA -0.103 3.896 4.340 -0.568 0.000 0.210 405 L C 2.523 179.448 176.870 0.092 0.000 1.081 405 L CA 0.963 55.847 54.840 0.074 0.000 0.752 405 L CB -0.616 41.469 42.059 0.043 0.000 0.896 405 L HN 0.370 nan 8.230 nan 0.000 0.433 406 L N 0.458 121.740 121.223 0.100 0.000 2.017 406 L HA -0.248 3.751 4.340 -0.568 0.000 0.208 406 L C 2.182 179.141 176.870 0.148 0.000 1.073 406 L CA 2.084 56.988 54.840 0.106 0.000 0.745 406 L CB -0.677 41.459 42.059 0.129 0.000 0.894 406 L HN 0.239 nan 8.230 nan 0.000 0.432 407 D N -0.561 119.987 120.400 0.245 0.000 2.104 407 D HA -0.238 4.061 4.640 -0.568 0.000 0.194 407 D C 2.160 178.669 176.300 0.348 0.000 0.994 407 D CA 2.045 56.281 54.000 0.392 0.000 0.830 407 D CB -0.254 40.832 40.800 0.476 0.000 0.959 407 D HN 0.461 nan 8.370 nan 0.000 0.452 408 L N -0.249 121.114 121.223 0.234 0.000 1.990 408 L HA -0.194 3.805 4.340 -0.568 0.000 0.213 408 L C 2.766 179.720 176.870 0.140 0.000 1.072 408 L CA 1.105 56.050 54.840 0.176 0.000 0.755 408 L CB -0.753 41.379 42.059 0.122 0.000 0.889 408 L HN 0.035 nan 8.230 nan 0.000 0.432 409 V N -0.784 119.189 119.914 0.099 0.000 2.307 409 V HA -0.204 3.575 4.120 -0.568 0.000 0.245 409 V C 2.432 178.541 176.094 0.026 0.000 1.045 409 V CA 1.386 63.717 62.300 0.052 0.000 1.024 409 V CB -0.197 31.645 31.823 0.032 0.000 0.651 409 V HN 0.174 nan 8.190 nan 0.000 0.449 410 V N -0.646 119.258 119.914 -0.017 0.000 2.295 410 V HA -0.229 3.550 4.120 -0.568 0.000 0.246 410 V C 2.147 178.155 176.094 -0.143 0.000 1.049 410 V CA 2.239 64.445 62.300 -0.157 0.000 1.024 410 V CB -0.674 30.937 31.823 -0.353 0.000 0.648 410 V HN 0.477 nan 8.190 nan 0.000 0.447 411 F N 0.719 120.747 119.950 0.130 0.000 2.569 411 F HA 0.225 4.411 4.527 -0.569 0.000 0.295 411 F C 2.275 178.123 175.800 0.080 0.000 1.115 411 F CA 0.788 58.855 58.000 0.113 0.000 1.450 411 F CB -1.004 38.045 39.000 0.082 0.000 1.107 411 F HN 0.157 nan 8.300 nan 0.000 0.563 412 G N -0.109 108.817 108.800 0.210 0.000 2.402 412 G HA2 -0.232 3.387 3.960 -0.568 0.000 0.216 412 G HA3 -0.232 3.387 3.960 -0.568 0.000 0.216 412 G C 1.825 176.772 174.900 0.078 0.000 1.162 412 G CA 0.517 45.689 45.100 0.120 0.000 0.777 412 G HN 0.235 nan 8.290 nan 0.000 0.539 413 R N 0.385 120.924 120.500 0.065 0.000 2.090 413 R HA 0.112 4.112 4.340 -0.568 0.000 0.228 413 R C 2.866 179.205 176.300 0.064 0.000 1.110 413 R CA 1.244 57.365 56.100 0.036 0.000 0.973 413 R CB -0.304 30.002 30.300 0.010 0.000 0.869 413 R HN 0.276 nan 8.270 nan 0.000 0.440 414 A N 0.914 123.812 122.820 0.131 0.000 1.877 414 A HA -0.134 3.845 4.320 -0.568 0.000 0.216 414 A C 2.357 180.080 177.584 0.231 0.000 1.186 414 A CA 1.752 53.925 52.037 0.226 0.000 0.620 414 A CB -0.863 18.287 19.000 0.250 0.000 0.822 414 A HN 0.512 nan 8.150 nan 0.000 0.443 415 A N -0.645 122.278 122.820 0.172 0.000 1.978 415 A HA 0.089 4.068 4.320 -0.568 0.000 0.220 415 A C 2.353 179.946 177.584 0.014 0.000 1.170 415 A CA 2.028 54.131 52.037 0.110 0.000 0.636 415 A CB -1.260 17.788 19.000 0.079 0.000 0.810 415 A HN 0.725 nan 8.150 nan 0.000 0.448 416 G N -0.457 108.342 108.800 -0.001 0.000 2.394 416 G HA2 -0.076 3.544 3.960 -0.568 0.000 0.214 416 G HA3 -0.076 3.544 3.960 -0.568 0.000 0.214 416 G C 1.527 176.389 174.900 -0.063 0.000 1.176 416 G CA 0.826 45.897 45.100 -0.048 0.000 0.786 416 G HN 0.414 nan 8.290 nan 0.000 0.533 417 L N -0.163 121.010 121.223 -0.083 0.000 2.131 417 L HA -0.035 3.964 4.340 -0.568 0.000 0.210 417 L C 2.069 178.758 176.870 -0.302 0.000 1.092 417 L CA 0.867 55.577 54.840 -0.216 0.000 0.759 417 L CB -0.201 41.671 42.059 -0.312 0.000 0.903 417 L HN 0.299 nan 8.230 nan 0.000 0.435 418 H N -1.631 117.440 119.070 0.003 0.000 2.542 418 H HA 0.088 4.304 4.556 -0.568 0.000 0.283 418 H C 1.700 177.030 175.328 0.004 0.000 1.059 418 H CA -0.094 55.962 56.048 0.013 0.000 1.162 418 H CB 0.841 30.621 29.762 0.030 0.000 1.539 418 H HN 0.182 nan 8.280 nan 0.000 0.543 419 L N 1.042 122.279 121.223 0.024 0.000 2.017 419 L HA -0.149 3.850 4.340 -0.568 0.000 0.208 419 L C 2.460 179.325 176.870 -0.009 0.000 1.073 419 L CA 1.683 56.484 54.840 -0.064 0.000 0.745 419 L CB -0.271 41.691 42.059 -0.162 0.000 0.894 419 L HN 0.140 nan 8.230 nan 0.000 0.432 420 Q N -0.719 119.080 119.800 -0.001 0.000 2.096 420 Q HA -0.253 3.746 4.340 -0.568 0.000 0.204 420 Q C 2.075 178.102 176.000 0.045 0.000 0.982 420 Q CA 2.140 57.951 55.803 0.014 0.000 0.850 420 Q CB -0.059 28.680 28.738 0.002 0.000 0.901 420 Q HN 0.624 nan 8.270 nan 0.000 0.422 421 E N -0.508 119.732 120.200 0.068 0.000 2.150 421 E HA -0.103 3.906 4.350 -0.568 0.000 0.193 421 E C 2.060 178.719 176.600 0.099 0.000 0.985 421 E CA 0.936 57.387 56.400 0.084 0.000 0.814 421 E CB 0.127 29.895 29.700 0.112 0.000 0.752 421 E HN 0.149 nan 8.360 nan 0.000 0.466 422 S N 0.766 116.548 115.700 0.137 0.000 2.387 422 S HA -0.061 4.068 4.470 -0.568 0.000 0.226 422 S C 2.001 176.709 174.600 0.181 0.000 1.026 422 S CA 0.641 58.956 58.200 0.191 0.000 0.972 422 S CB -0.042 63.376 63.200 0.363 0.000 0.814 422 S HN 0.204 nan 8.310 nan 0.000 0.477 423 I N 1.548 122.207 120.570 0.148 0.000 2.286 423 I HA -0.144 3.685 4.170 -0.568 0.000 0.245 423 I C 2.651 178.816 176.117 0.079 0.000 1.104 423 I CA 0.995 62.367 61.300 0.120 0.000 1.397 423 I CB -0.425 37.621 38.000 0.077 0.000 1.072 423 I HN 0.260 nan 8.210 nan 0.000 0.417 424 A N 0.306 123.164 122.820 0.063 0.000 1.969 424 A HA -0.243 3.736 4.320 -0.568 0.000 0.218 424 A C 2.298 179.908 177.584 0.043 0.000 1.169 424 A CA 1.731 53.796 52.037 0.045 0.000 0.635 424 A CB -0.549 18.474 19.000 0.038 0.000 0.810 424 A HN 0.508 nan 8.150 nan 0.000 0.445 425 E N 0.262 120.493 120.200 0.052 0.000 2.106 425 E HA -0.263 3.746 4.350 -0.568 0.000 0.192 425 E C 2.131 178.749 176.600 0.031 0.000 0.984 425 E CA 1.337 57.760 56.400 0.039 0.000 0.806 425 E CB -0.188 29.536 29.700 0.041 0.000 0.750 425 E HN 0.889 nan 8.360 nan 0.000 0.458 426 Q N -0.111 119.715 119.800 0.043 0.000 2.389 426 Q HA 0.133 4.132 4.340 -0.568 0.000 0.204 426 Q C 0.917 176.934 176.000 0.028 0.000 0.944 426 Q CA 0.572 56.393 55.803 0.030 0.000 0.908 426 Q CB 0.229 28.991 28.738 0.041 0.000 1.002 426 Q HN 0.198 nan 8.270 nan 0.000 0.493 427 G N 1.209 110.029 108.800 0.034 0.000 2.855 427 G HA2 -0.130 3.489 3.960 -0.568 0.000 0.352 427 G HA3 -0.130 3.489 3.960 -0.568 0.000 0.352 427 G C -0.275 174.644 174.900 0.032 0.000 1.415 427 G CA -0.428 44.688 45.100 0.028 0.000 0.871 427 G HN 0.840 nan 8.290 nan 0.000 0.543 428 A N -0.235 122.601 122.820 0.026 0.000 2.520 428 A HA 0.549 4.528 4.320 -0.568 0.000 0.245 428 A C 0.792 178.393 177.584 0.029 0.000 1.072 428 A CA 0.368 52.422 52.037 0.028 0.000 0.761 428 A CB -0.037 18.976 19.000 0.021 0.000 1.004 428 A HN 1.249 nan 8.150 nan 0.000 0.499 429 L N 2.912 124.157 121.223 0.036 0.000 2.289 429 L HA 0.434 4.433 4.340 -0.568 0.000 0.285 429 L C 0.975 177.867 176.870 0.036 0.000 1.049 429 L CA -0.590 54.273 54.840 0.038 0.000 0.804 429 L CB 1.069 43.159 42.059 0.051 0.000 1.195 429 L HN 0.853 nan 8.230 nan 0.000 0.428 430 R N 1.428 121.945 120.500 0.030 0.000 2.643 430 R HA 0.047 4.046 4.340 -0.568 0.000 0.270 430 R C -0.577 175.746 176.300 0.038 0.000 1.061 430 R CA -0.577 55.539 56.100 0.027 0.000 1.107 430 R CB 0.553 30.864 30.300 0.018 0.000 0.999 430 R HN 0.508 nan 8.270 nan 0.000 0.460 431 D N 1.551 121.973 120.400 0.038 0.000 2.423 431 D HA 0.079 4.378 4.640 -0.568 0.000 0.238 431 D C -0.411 175.914 176.300 0.041 0.000 1.142 431 D CA 0.457 54.489 54.000 0.053 0.000 0.884 431 D CB 1.007 41.835 40.800 0.047 0.000 1.199 431 D HN 0.597 nan 8.370 nan 0.000 0.438 432 A N 1.855 124.706 122.820 0.052 0.000 2.401 432 A HA 0.415 4.395 4.320 -0.568 0.000 0.259 432 A C 0.727 178.292 177.584 -0.031 0.000 1.103 432 A CA -0.505 51.527 52.037 -0.009 0.000 0.789 432 A CB 0.145 19.104 19.000 -0.068 0.000 1.035 432 A HN 0.532 nan 8.150 nan 0.000 0.491 433 S N 1.181 116.857 115.700 -0.041 0.000 2.617 433 S HA 0.135 4.264 4.470 -0.568 0.000 0.259 433 S C 0.909 175.470 174.600 -0.065 0.000 1.301 433 S CA 0.410 58.587 58.200 -0.038 0.000 0.984 433 S CB 0.688 63.871 63.200 -0.028 0.000 0.954 433 S HN 0.815 nan 8.310 nan 0.000 0.572 434 E N 0.265 120.437 120.200 -0.046 0.000 2.204 434 E HA -0.136 3.873 4.350 -0.568 0.000 0.194 434 E C 1.878 178.443 176.600 -0.058 0.000 0.989 434 E CA 1.223 57.592 56.400 -0.052 0.000 0.824 434 E CB -0.231 29.453 29.700 -0.027 0.000 0.756 434 E HN 0.810 nan 8.360 nan 0.000 0.477 435 S N -0.065 115.606 115.700 -0.048 0.000 2.446 435 S HA -0.083 4.046 4.470 -0.568 0.000 0.225 435 S C 1.447 176.013 174.600 -0.057 0.000 1.016 435 S CA 0.708 58.882 58.200 -0.043 0.000 0.943 435 S CB 0.008 63.190 63.200 -0.030 0.000 0.786 435 S HN 0.173 nan 8.310 nan 0.000 0.508 436 D N 2.077 122.434 120.400 -0.072 0.000 2.097 436 D HA -0.052 4.247 4.640 -0.568 0.000 0.195 436 D C 2.140 178.364 176.300 -0.127 0.000 0.989 436 D CA 1.216 55.164 54.000 -0.086 0.000 0.827 436 D CB -0.563 40.183 40.800 -0.090 0.000 0.966 436 D HN 0.321 nan 8.370 nan 0.000 0.456 437 V N 0.843 120.639 119.914 -0.198 0.000 2.427 437 V HA -0.204 3.575 4.120 -0.568 0.000 0.248 437 V C 2.393 178.414 176.094 -0.121 0.000 1.051 437 V CA 1.534 63.678 62.300 -0.259 0.000 1.048 437 V CB -0.411 31.185 31.823 -0.378 0.000 0.666 437 V HN 0.083 nan 8.190 nan 0.000 0.456 438 E N 0.886 121.037 120.200 -0.081 0.000 2.110 438 E HA -0.170 3.840 4.350 -0.568 0.000 0.193 438 E C 2.115 178.701 176.600 -0.023 0.000 0.988 438 E CA 1.473 57.850 56.400 -0.038 0.000 0.804 438 E CB -0.459 29.224 29.700 -0.029 0.000 0.745 438 E HN 0.531 nan 8.360 nan 0.000 0.458 439 A N -0.285 122.516 122.820 -0.032 0.000 2.019 439 A HA -0.128 3.851 4.320 -0.568 0.000 0.219 439 A C 2.283 179.864 177.584 -0.004 0.000 1.164 439 A CA 1.653 53.679 52.037 -0.018 0.000 0.644 439 A CB -0.469 18.517 19.000 -0.024 0.000 0.805 439 A HN 0.246 nan 8.150 nan 0.000 0.449 440 S N -0.490 115.205 115.700 -0.008 0.000 2.515 440 S HA 0.101 4.230 4.470 -0.568 0.000 0.231 440 S C 1.295 175.923 174.600 0.047 0.000 0.987 440 S CA 0.724 58.936 58.200 0.019 0.000 0.936 440 S CB -0.192 63.017 63.200 0.015 0.000 0.766 440 S HN 0.542 nan 8.310 nan 0.000 0.528 441 L N 0.450 121.696 121.223 0.039 0.000 2.616 441 L HA 0.162 4.161 4.340 -0.568 0.000 0.229 441 L C 1.373 178.278 176.870 0.058 0.000 1.110 441 L CA 0.062 54.938 54.840 0.059 0.000 0.884 441 L CB -0.204 41.885 42.059 0.049 0.000 1.115 441 L HN 0.062 nan 8.230 nan 0.000 0.481 442 D N 1.063 121.486 120.400 0.039 0.000 2.133 442 D HA -0.230 4.069 4.640 -0.568 0.000 0.195 442 D C 2.148 178.472 176.300 0.040 0.000 0.997 442 D CA 1.271 55.286 54.000 0.026 0.000 0.840 442 D CB 0.061 40.866 40.800 0.008 0.000 0.947 442 D HN 0.222 nan 8.370 nan 0.000 0.452 443 R N 0.029 120.572 120.500 0.071 0.000 2.092 443 R HA -0.108 3.891 4.340 -0.568 0.000 0.231 443 R C 2.291 178.725 176.300 0.224 0.000 1.119 443 R CA 0.654 56.823 56.100 0.115 0.000 0.970 443 R CB -0.255 30.135 30.300 0.150 0.000 0.864 443 R HN 0.121 nan 8.270 nan 0.000 0.440 444 L N 1.242 122.586 121.223 0.203 0.000 2.072 444 L HA -0.082 3.918 4.340 -0.568 0.000 0.205 444 L C 1.377 178.361 176.870 0.190 0.000 1.079 444 L CA 1.773 56.749 54.840 0.227 0.000 0.752 444 L CB -0.569 41.577 42.059 0.146 0.000 0.906 444 L HN 0.144 nan 8.230 nan 0.000 0.436 445 N N -0.085 118.682 118.700 0.110 0.000 2.223 445 N HA -0.198 4.201 4.740 -0.568 0.000 0.185 445 N C 1.960 177.499 175.510 0.049 0.000 1.016 445 N CA 1.126 54.218 53.050 0.070 0.000 0.863 445 N CB -0.392 38.117 38.487 0.038 0.000 0.983 445 N HN 0.407 nan 8.380 nan 0.000 0.429 446 R N -0.182 120.325 120.500 0.012 0.000 2.070 446 R HA -0.123 3.876 4.340 -0.568 0.000 0.233 446 R C 1.922 178.168 176.300 -0.090 0.000 1.137 446 R CA 1.398 57.441 56.100 -0.095 0.000 0.945 446 R CB -0.296 29.872 30.300 -0.220 0.000 0.845 446 R HN 0.249 nan 8.270 nan 0.000 0.430 447 W N 1.389 122.682 121.300 -0.011 0.000 2.333 447 W HA -0.180 4.139 4.660 -0.569 0.000 0.316 447 W C 2.100 178.609 176.519 -0.017 0.000 1.215 447 W CA 0.864 58.199 57.345 -0.017 0.000 1.278 447 W CB -0.554 28.892 29.460 -0.024 0.000 1.154 447 W HN 0.205 nan 8.180 nan 0.000 0.486 448 N N -0.056 118.778 118.700 0.224 0.000 2.272 448 N HA -0.160 4.239 4.740 -0.568 0.000 0.185 448 N C 0.669 176.223 175.510 0.075 0.000 1.014 448 N CA 1.484 54.606 53.050 0.121 0.000 0.870 448 N CB -0.682 37.857 38.487 0.086 0.000 0.975 448 N HN 0.401 nan 8.380 nan 0.000 0.433 449 N N -0.391 118.340 118.700 0.053 0.000 2.205 449 N HA 0.031 4.430 4.740 -0.568 0.000 0.201 449 N C -0.394 175.119 175.510 0.005 0.000 1.128 449 N CA -0.170 52.892 53.050 0.020 0.000 0.867 449 N CB 0.401 38.889 38.487 0.003 0.000 0.996 449 N HN 0.057 nan 8.380 nan 0.000 0.503 450 N N 1.252 119.959 118.700 0.010 0.000 2.457 450 N HA 0.198 4.597 4.740 -0.568 0.000 0.250 450 N C 0.127 175.655 175.510 0.029 0.000 0.982 450 N CA -0.013 53.030 53.050 -0.011 0.000 0.941 450 N CB 0.690 39.128 38.487 -0.081 0.000 1.120 450 N HN 0.026 nan 8.380 nan 0.000 0.505 451 R N 2.354 122.864 120.500 0.016 0.000 2.225 451 R HA 0.224 4.223 4.340 -0.568 0.000 0.194 451 R C 0.208 176.520 176.300 0.020 0.000 0.949 451 R CA 0.318 56.434 56.100 0.026 0.000 1.088 451 R CB 0.072 30.383 30.300 0.019 0.000 1.106 451 R HN 0.500 nan 8.270 nan 0.000 0.566 452 N N 0.873 119.577 118.700 0.006 0.000 2.235 452 N HA 0.087 4.486 4.740 -0.568 0.000 0.209 452 N C 0.760 176.269 175.510 -0.003 0.000 1.122 452 N CA 0.174 53.225 53.050 0.003 0.000 0.845 452 N CB 0.814 39.300 38.487 -0.002 0.000 1.004 452 N HN 0.123 nan 8.380 nan 0.000 0.499 453 G N 0.293 109.089 108.800 -0.006 0.000 2.486 453 G HA2 0.089 3.709 3.960 -0.568 0.000 0.272 453 G HA3 0.089 3.709 3.960 -0.568 0.000 0.272 453 G C 0.141 175.042 174.900 0.000 0.000 1.426 453 G CA -0.351 44.737 45.100 -0.019 0.000 1.058 453 G HN 0.100 nan 8.290 nan 0.000 0.531 454 E N -0.353 119.845 120.200 -0.003 0.000 2.349 454 E HA 0.119 4.128 4.350 -0.568 0.000 0.262 454 E C -0.807 175.820 176.600 0.045 0.000 1.088 454 E CA -0.463 55.946 56.400 0.015 0.000 0.899 454 E CB 1.022 30.725 29.700 0.006 0.000 1.044 454 E HN 0.354 nan 8.360 nan 0.000 0.420 455 D N 2.289 122.714 120.400 0.043 0.000 2.339 455 D HA 0.027 4.326 4.640 -0.568 0.000 0.256 455 D C -1.562 174.779 176.300 0.068 0.000 1.214 455 D CA -2.082 51.950 54.000 0.054 0.000 0.877 455 D CB 0.964 41.785 40.800 0.036 0.000 1.111 455 D HN 0.087 nan 8.370 nan 0.000 0.478 456 P HA -0.138 nan 4.420 nan 0.000 0.220 456 P C 1.542 178.882 177.300 0.067 0.000 1.148 456 P CA 0.373 63.545 63.100 0.121 0.000 0.803 456 P CB 0.389 32.182 31.700 0.156 0.000 0.782 457 V N 1.148 121.088 119.914 0.044 0.000 2.295 457 V HA -0.237 3.542 4.120 -0.568 0.000 0.246 457 V C 2.836 178.947 176.094 0.028 0.000 1.049 457 V CA 2.291 64.608 62.300 0.028 0.000 1.024 457 V CB -1.730 30.105 31.823 0.021 0.000 0.648 457 V HN 0.118 nan 8.190 nan 0.000 0.447 458 A N -0.252 122.585 122.820 0.028 0.000 1.933 458 A HA -0.142 3.837 4.320 -0.568 0.000 0.218 458 A C 2.181 179.778 177.584 0.021 0.000 1.175 458 A CA 1.744 53.794 52.037 0.022 0.000 0.628 458 A CB -0.519 18.493 19.000 0.020 0.000 0.814 458 A HN 0.524 nan 8.150 nan 0.000 0.444 459 I N -1.119 119.470 120.570 0.032 0.000 2.252 459 I HA -0.228 3.601 4.170 -0.568 0.000 0.245 459 I C 2.715 178.847 176.117 0.025 0.000 1.102 459 I CA 1.579 62.898 61.300 0.032 0.000 1.385 459 I CB -0.346 37.686 38.000 0.054 0.000 1.064 459 I HN 0.392 nan 8.210 nan 0.000 0.414 460 R N 1.695 122.213 120.500 0.029 0.000 2.073 460 R HA -0.179 3.821 4.340 -0.568 0.000 0.234 460 R C 2.223 178.527 176.300 0.006 0.000 1.134 460 R CA 1.566 57.677 56.100 0.018 0.000 0.952 460 R CB -0.034 30.279 30.300 0.021 0.000 0.850 460 R HN 0.265 nan 8.270 nan 0.000 0.433 461 K N -0.205 120.201 120.400 0.010 0.000 2.148 461 K HA -0.050 3.929 4.320 -0.568 0.000 0.204 461 K C 2.029 178.622 176.600 -0.011 0.000 1.050 461 K CA 1.149 57.439 56.287 0.006 0.000 0.942 461 K CB -0.026 32.482 32.500 0.014 0.000 0.724 461 K HN 0.229 nan 8.250 nan 0.000 0.446 462 A N 1.592 124.405 122.820 -0.011 0.000 1.929 462 A HA -0.104 3.875 4.320 -0.568 0.000 0.216 462 A C 2.092 179.656 177.584 -0.033 0.000 1.176 462 A CA 0.864 52.886 52.037 -0.025 0.000 0.628 462 A CB -0.502 18.491 19.000 -0.011 0.000 0.816 462 A HN 0.281 nan 8.150 nan 0.000 0.444 463 L N -0.566 120.642 121.223 -0.026 0.000 2.017 463 L HA -0.271 3.728 4.340 -0.568 0.000 0.208 463 L C 2.706 179.530 176.870 -0.078 0.000 1.073 463 L CA 2.038 56.852 54.840 -0.043 0.000 0.745 463 L CB -0.394 41.643 42.059 -0.037 0.000 0.894 463 L HN 0.476 nan 8.230 nan 0.000 0.432 464 Q N -0.601 119.159 119.800 -0.067 0.000 2.124 464 Q HA -0.280 3.719 4.340 -0.568 0.000 0.202 464 Q C 2.060 178.039 176.000 -0.036 0.000 0.977 464 Q CA 1.874 57.634 55.803 -0.072 0.000 0.850 464 Q CB -0.123 28.602 28.738 -0.021 0.000 0.901 464 Q HN 0.589 nan 8.270 nan 0.000 0.429 465 E N 0.043 120.216 120.200 -0.046 0.000 2.150 465 E HA -0.193 3.816 4.350 -0.568 0.000 0.193 465 E C 2.007 178.518 176.600 -0.149 0.000 0.985 465 E CA 0.929 57.268 56.400 -0.102 0.000 0.814 465 E CB -0.061 29.527 29.700 -0.187 0.000 0.752 465 E HN 0.369 nan 8.360 nan 0.000 0.466 466 C N 0.604 119.853 119.300 -0.086 0.000 2.446 466 C HA -0.091 4.028 4.460 -0.568 0.000 0.277 466 C C 2.561 177.627 174.990 0.127 0.000 1.275 466 C CA 0.666 59.683 59.018 -0.001 0.000 1.727 466 C CB -0.696 27.062 27.740 0.029 0.000 2.010 466 C HN 0.497 nan 8.230 nan 0.000 0.486 467 M N 0.114 119.732 119.600 0.031 0.000 2.200 467 M HA -0.068 4.071 4.480 -0.568 0.000 0.265 467 M C 2.071 178.491 176.300 0.200 0.000 1.066 467 M CA 1.451 56.742 55.300 -0.015 0.000 1.127 467 M CB -1.655 30.531 32.600 -0.690 0.000 1.379 467 M HN 0.452 nan 8.290 nan 0.000 0.420 468 Q N -0.100 119.846 119.800 0.244 0.000 2.119 468 Q HA -0.098 3.901 4.340 -0.568 0.000 0.201 468 Q C 1.902 178.122 176.000 0.367 0.000 0.972 468 Q CA 1.663 57.717 55.803 0.419 0.000 0.847 468 Q CB -0.157 28.804 28.738 0.372 0.000 0.903 468 Q HN 0.615 nan 8.270 nan 0.000 0.433 469 H N -1.241 117.898 119.070 0.116 0.000 2.403 469 H HA 0.109 4.327 4.556 -0.564 0.000 0.298 469 H C 0.771 176.102 175.328 0.006 0.000 1.059 469 H CA 0.958 57.041 56.048 0.058 0.000 1.363 469 H CB 0.545 30.330 29.762 0.039 0.000 1.410 469 H HN 0.295 nan 8.280 nan 0.000 0.528 470 N N -0.364 118.392 118.700 0.092 0.000 2.184 470 N HA 0.029 4.428 4.740 -0.568 0.000 0.206 470 N C -0.467 174.662 175.510 -0.635 0.000 1.151 470 N CA 0.288 53.174 53.050 -0.274 0.000 0.878 470 N CB 0.840 39.085 38.487 -0.402 0.000 1.014 470 N HN 0.174 nan 8.380 nan 0.000 0.512 471 F N -0.136 119.911 119.950 0.161 0.000 2.671 471 F HA 0.325 4.511 4.527 -0.568 0.000 0.384 471 F C 0.942 176.936 175.800 0.324 0.000 1.351 471 F CA -0.469 57.656 58.000 0.208 0.000 1.151 471 F CB 0.285 39.384 39.000 0.165 0.000 1.147 471 F HN -0.231 nan 8.300 nan 0.000 0.513 472 S N -0.443 115.407 115.700 0.249 0.000 2.307 472 S HA 0.301 4.430 4.470 -0.568 0.000 0.252 472 S C 1.747 176.075 174.600 -0.454 0.000 1.204 472 S CA -0.024 58.134 58.200 -0.070 0.000 1.018 472 S CB 0.401 63.522 63.200 -0.132 0.000 1.077 472 S HN -0.042 nan 8.310 nan 0.000 0.454 473 V N 0.546 119.933 119.914 -0.878 0.000 2.287 473 V HA -0.031 3.748 4.120 -0.568 0.000 0.248 473 V C 0.379 176.052 176.094 -0.700 0.000 1.053 473 V CA 1.531 63.313 62.300 -0.863 0.000 1.027 473 V CB -0.703 30.602 31.823 -0.864 0.000 0.646 473 V HN 0.539 nan 8.190 nan 0.000 0.447 474 F N -0.270 119.527 119.950 -0.256 0.000 2.436 474 F HA 0.663 4.830 4.527 -0.600 0.000 0.340 474 F C 0.469 176.141 175.800 -0.213 0.000 1.113 474 F CA -0.750 57.077 58.000 -0.289 0.000 1.022 474 F CB 1.148 40.040 39.000 -0.180 0.000 1.128 474 F HN -0.116 nan 8.300 nan 0.000 0.466 475 R N 1.630 122.061 120.500 -0.114 0.000 2.854 475 R HA 0.688 4.687 4.340 -0.568 0.000 0.271 475 R C -1.185 175.100 176.300 -0.024 0.000 0.994 475 R CA -1.180 54.876 56.100 -0.074 0.000 0.945 475 R CB 2.852 33.097 30.300 -0.092 0.000 1.194 475 R HN 0.768 nan 8.270 nan 0.000 0.476 476 E N -0.649 119.571 120.200 0.033 0.000 2.390 476 E HA 0.317 4.326 4.350 -0.568 0.000 0.277 476 E C 0.059 176.697 176.600 0.063 0.000 0.939 476 E CA -1.027 55.436 56.400 0.105 0.000 0.769 476 E CB 1.622 31.429 29.700 0.178 0.000 1.251 476 E HN 0.525 nan 8.360 nan 0.000 0.450 477 G N 1.913 110.773 108.800 0.101 0.000 2.514 477 G HA2 -0.315 3.304 3.960 -0.568 0.000 0.217 477 G HA3 -0.315 3.304 3.960 -0.568 0.000 0.217 477 G C 0.752 175.692 174.900 0.067 0.000 1.198 477 G CA 1.475 46.641 45.100 0.109 0.000 0.780 477 G HN 0.610 nan 8.290 nan 0.000 0.565 478 D N 0.965 121.395 120.400 0.050 0.000 2.104 478 D HA -0.054 4.245 4.640 -0.568 0.000 0.194 478 D C 2.831 179.139 176.300 0.013 0.000 0.994 478 D CA 1.469 55.490 54.000 0.034 0.000 0.830 478 D CB -0.655 40.159 40.800 0.024 0.000 0.959 478 D HN 0.315 nan 8.370 nan 0.000 0.452 479 A N 0.447 123.261 122.820 -0.010 0.000 1.933 479 A HA -0.144 3.835 4.320 -0.568 0.000 0.218 479 A C 2.255 179.762 177.584 -0.129 0.000 1.175 479 A CA 1.333 53.339 52.037 -0.052 0.000 0.628 479 A CB -0.519 18.445 19.000 -0.059 0.000 0.814 479 A HN 0.166 nan 8.150 nan 0.000 0.444 480 M N -0.755 118.747 119.600 -0.163 0.000 2.254 480 M HA -0.081 4.058 4.480 -0.568 0.000 0.265 480 M C 2.505 178.825 176.300 0.032 0.000 1.066 480 M CA 1.180 56.340 55.300 -0.234 0.000 1.123 480 M CB -0.378 32.151 32.600 -0.117 0.000 1.388 480 M HN 0.486 nan 8.290 nan 0.000 0.425 481 A N 0.698 123.550 122.820 0.054 0.000 1.898 481 A HA -0.164 3.815 4.320 -0.568 0.000 0.216 481 A C 2.101 179.736 177.584 0.085 0.000 1.181 481 A CA 1.712 53.802 52.037 0.089 0.000 0.620 481 A CB -0.393 18.654 19.000 0.080 0.000 0.819 481 A HN 0.354 nan 8.150 nan 0.000 0.442 482 K N -0.638 119.796 120.400 0.057 0.000 2.062 482 K HA -0.004 3.976 4.320 -0.568 0.000 0.205 482 K C 2.073 178.722 176.600 0.081 0.000 1.051 482 K CA 1.018 57.340 56.287 0.059 0.000 0.941 482 K CB -0.463 32.060 32.500 0.038 0.000 0.719 482 K HN 0.438 nan 8.250 nan 0.000 0.440 483 G N 1.171 110.021 108.800 0.083 0.000 2.442 483 G HA2 -0.249 3.370 3.960 -0.568 0.000 0.219 483 G HA3 -0.249 3.370 3.960 -0.568 0.000 0.219 483 G C 1.384 176.436 174.900 0.252 0.000 1.141 483 G CA 0.649 45.855 45.100 0.177 0.000 0.763 483 G HN 0.153 nan 8.290 nan 0.000 0.554 484 L N 0.515 121.883 121.223 0.242 0.000 2.056 484 L HA 0.058 4.057 4.340 -0.568 0.000 0.207 484 L C 2.583 179.547 176.870 0.157 0.000 1.078 484 L CA 1.751 56.696 54.840 0.174 0.000 0.749 484 L CB -0.434 41.706 42.059 0.134 0.000 0.901 484 L HN 0.097 nan 8.230 nan 0.000 0.433 485 E N -0.341 119.938 120.200 0.133 0.000 2.077 485 E HA -0.238 3.772 4.350 -0.568 0.000 0.193 485 E C 2.153 178.816 176.600 0.106 0.000 0.989 485 E CA 1.268 57.737 56.400 0.115 0.000 0.800 485 E CB -0.262 29.491 29.700 0.088 0.000 0.746 485 E HN 0.669 nan 8.360 nan 0.000 0.452 486 Q N 0.260 120.119 119.800 0.098 0.000 2.084 486 Q HA -0.077 3.922 4.340 -0.568 0.000 0.202 486 Q C 2.468 178.520 176.000 0.087 0.000 0.978 486 Q CA 0.908 56.758 55.803 0.078 0.000 0.844 486 Q CB -0.150 28.628 28.738 0.066 0.000 0.898 486 Q HN 0.254 nan 8.270 nan 0.000 0.426 487 L N 0.593 121.890 121.223 0.124 0.000 2.083 487 L HA -0.209 3.790 4.340 -0.568 0.000 0.209 487 L C 2.288 179.248 176.870 0.150 0.000 1.083 487 L CA 1.181 56.106 54.840 0.143 0.000 0.752 487 L CB -0.311 41.865 42.059 0.194 0.000 0.899 487 L HN 0.175 nan 8.230 nan 0.000 0.433 488 K N -0.425 120.083 120.400 0.179 0.000 2.057 488 K HA -0.143 3.836 4.320 -0.568 0.000 0.207 488 K C 2.029 178.656 176.600 0.044 0.000 1.049 488 K CA 1.258 57.614 56.287 0.116 0.000 0.931 488 K CB -0.200 32.388 32.500 0.145 0.000 0.714 488 K HN 0.127 nan 8.250 nan 0.000 0.440 489 V N 1.837 121.781 119.914 0.051 0.000 2.307 489 V HA -0.231 3.549 4.120 -0.568 0.000 0.245 489 V C 2.180 178.283 176.094 0.014 0.000 1.045 489 V CA 1.603 63.920 62.300 0.027 0.000 1.024 489 V CB -0.406 31.436 31.823 0.030 0.000 0.651 489 V HN 0.271 nan 8.190 nan 0.000 0.449 490 I N -0.186 120.398 120.570 0.023 0.000 2.286 490 I HA -0.236 3.594 4.170 -0.568 0.000 0.248 490 I C 2.721 178.838 176.117 -0.000 0.000 1.115 490 I CA 1.577 62.885 61.300 0.014 0.000 1.392 490 I CB -0.490 37.523 38.000 0.021 0.000 1.065 490 I HN 0.228 nan 8.210 nan 0.000 0.418 491 R N 0.973 121.467 120.500 -0.011 0.000 2.148 491 R HA -0.151 3.848 4.340 -0.568 0.000 0.227 491 R C 1.951 178.215 176.300 -0.059 0.000 1.103 491 R CA 1.166 57.236 56.100 -0.049 0.000 0.983 491 R CB 0.056 30.288 30.300 -0.114 0.000 0.874 491 R HN 0.319 nan 8.270 nan 0.000 0.451 492 E N 0.529 120.702 120.200 -0.045 0.000 2.112 492 E HA -0.117 3.892 4.350 -0.568 0.000 0.190 492 E C 2.048 178.618 176.600 -0.049 0.000 0.979 492 E CA 0.834 57.205 56.400 -0.048 0.000 0.814 492 E CB -0.055 29.625 29.700 -0.032 0.000 0.762 492 E HN 0.369 nan 8.360 nan 0.000 0.460 493 R N 0.438 120.918 120.500 -0.033 0.000 2.096 493 R HA -0.103 3.896 4.340 -0.568 0.000 0.235 493 R C 2.351 178.622 176.300 -0.048 0.000 1.127 493 R CA 0.733 56.815 56.100 -0.031 0.000 0.968 493 R CB -0.328 29.966 30.300 -0.010 0.000 0.861 493 R HN 0.053 nan 8.270 nan 0.000 0.440 494 L N 1.620 122.816 121.223 -0.045 0.000 2.201 494 L HA -0.111 3.888 4.340 -0.568 0.000 0.212 494 L C 1.390 178.159 176.870 -0.168 0.000 1.105 494 L CA 1.756 56.561 54.840 -0.057 0.000 0.775 494 L CB -0.153 41.905 42.059 -0.003 0.000 0.913 494 L HN -0.034 nan 8.230 nan 0.000 0.440 495 K N -0.751 119.560 120.400 -0.149 0.000 2.442 495 K HA -0.106 3.873 4.320 -0.568 0.000 0.198 495 K C 0.693 177.160 176.600 -0.222 0.000 1.042 495 K CA 1.016 57.190 56.287 -0.189 0.000 0.958 495 K CB -0.147 32.276 32.500 -0.129 0.000 0.766 495 K HN 0.268 nan 8.250 nan 0.000 0.474 496 N N 0.161 118.749 118.700 -0.187 0.000 2.433 496 N HA 0.142 4.541 4.740 -0.568 0.000 0.270 496 N C -1.303 174.110 175.510 -0.162 0.000 1.354 496 N CA -0.251 52.699 53.050 -0.166 0.000 0.889 496 N CB 0.696 39.124 38.487 -0.099 0.000 1.285 496 N HN 0.063 nan 8.380 nan 0.000 0.503 497 A N 0.781 123.448 122.820 -0.255 0.000 2.322 497 A HA 0.602 4.581 4.320 -0.568 0.000 0.269 497 A C 0.326 177.844 177.584 -0.110 0.000 1.094 497 A CA -0.567 51.384 52.037 -0.144 0.000 0.807 497 A CB 0.421 19.383 19.000 -0.064 0.000 1.047 497 A HN 0.564 nan 8.150 nan 0.000 0.487 498 R N 0.701 121.265 120.500 0.107 0.000 2.668 498 R HA 0.726 4.725 4.340 -0.568 0.000 0.279 498 R C -1.337 175.155 176.300 0.319 0.000 0.976 498 R CA -0.748 55.444 56.100 0.153 0.000 0.978 498 R CB 0.942 31.291 30.300 0.082 0.000 1.133 498 R HN 0.467 nan 8.270 nan 0.000 0.484 499 L N 2.627 124.018 121.223 0.280 0.000 2.295 499 L HA 0.317 4.316 4.340 -0.568 0.000 0.281 499 L C -0.430 176.497 176.870 0.095 0.000 1.018 499 L CA -0.083 54.881 54.840 0.207 0.000 0.841 499 L CB 1.395 43.595 42.059 0.234 0.000 1.218 499 L HN 0.738 nan 8.230 nan 0.000 0.424 500 D N 1.562 121.995 120.400 0.056 0.000 2.347 500 D HA -0.003 4.297 4.640 -0.568 0.000 0.213 500 D C -0.265 176.044 176.300 0.015 0.000 0.985 500 D CA 0.757 54.776 54.000 0.033 0.000 0.879 500 D CB 0.301 41.116 40.800 0.025 0.000 0.919 500 D HN 0.528 nan 8.370 nan 0.000 0.526 501 D N -0.496 119.906 120.400 0.002 0.000 2.381 501 D HA 0.089 4.388 4.640 -0.568 0.000 0.235 501 D C 0.366 176.662 176.300 -0.007 0.000 1.068 501 D CA -0.134 53.861 54.000 -0.009 0.000 0.832 501 D CB 1.528 42.313 40.800 -0.026 0.000 1.101 501 D HN -0.243 nan 8.370 nan 0.000 0.515 502 T N 1.221 115.775 114.554 0.001 0.000 3.069 502 T HA 0.097 4.106 4.350 -0.568 0.000 0.252 502 T C 0.750 175.448 174.700 -0.003 0.000 1.053 502 T CA 0.197 62.300 62.100 0.005 0.000 0.964 502 T CB -0.081 68.795 68.868 0.014 0.000 1.005 502 T HN 0.445 nan 8.240 nan 0.000 0.532 503 S N 0.802 116.498 115.700 -0.007 0.000 2.598 503 S HA 0.209 4.338 4.470 -0.568 0.000 0.256 503 S C 1.325 175.916 174.600 -0.016 0.000 1.350 503 S CA 0.153 58.349 58.200 -0.006 0.000 0.984 503 S CB 0.965 64.166 63.200 0.001 0.000 0.930 503 S HN 0.421 nan 8.310 nan 0.000 0.577 504 S N -1.684 114.009 115.700 -0.012 0.000 2.593 504 S HA 0.236 4.365 4.470 -0.568 0.000 0.235 504 S C 0.073 174.660 174.600 -0.021 0.000 1.059 504 S CA -0.228 57.956 58.200 -0.025 0.000 0.953 504 S CB -0.364 62.825 63.200 -0.017 0.000 0.897 504 S HN 0.722 nan 8.310 nan 0.000 0.507 505 E N 1.765 121.973 120.200 0.013 0.000 1.996 505 E HA 0.427 4.436 4.350 -0.568 0.000 0.280 505 E C -0.783 175.896 176.600 0.132 0.000 1.092 505 E CA -0.774 55.659 56.400 0.054 0.000 0.862 505 E CB -0.754 28.978 29.700 0.052 0.000 1.066 505 E HN 0.270 nan 8.360 nan 0.000 0.396 506 F N 3.476 123.388 119.950 -0.063 0.000 2.773 506 F HA -0.290 3.896 4.527 -0.568 0.000 0.251 506 F C -0.326 175.433 175.800 -0.069 0.000 1.020 506 F CA 0.443 58.404 58.000 -0.066 0.000 0.924 506 F CB -0.419 38.552 39.000 -0.048 0.000 0.919 506 F HN 0.456 nan 8.300 nan 0.000 0.846 507 N N 1.442 120.096 118.700 -0.077 0.000 2.521 507 N HA 0.141 4.540 4.740 -0.568 0.000 0.236 507 N C 1.194 176.605 175.510 -0.165 0.000 1.067 507 N CA 0.483 53.485 53.050 -0.079 0.000 0.939 507 N CB 0.867 39.301 38.487 -0.087 0.000 1.201 507 N HN 0.401 nan 8.380 nan 0.000 0.511 508 T N 0.518 115.010 114.554 -0.103 0.000 3.023 508 T HA -0.133 3.876 4.350 -0.568 0.000 0.266 508 T C 1.454 176.050 174.700 -0.175 0.000 1.093 508 T CA 0.758 62.769 62.100 -0.147 0.000 1.129 508 T CB 0.061 68.909 68.868 -0.035 0.000 0.899 508 T HN 0.373 nan 8.240 nan 0.000 0.491 509 Q N 1.848 121.562 119.800 -0.143 0.000 2.084 509 Q HA -0.018 3.981 4.340 -0.568 0.000 0.202 509 Q C 2.442 178.284 176.000 -0.263 0.000 0.978 509 Q CA 1.614 57.319 55.803 -0.164 0.000 0.844 509 Q CB -0.409 28.265 28.738 -0.107 0.000 0.898 509 Q HN 0.647 nan 8.270 nan 0.000 0.426 510 R N -0.824 119.516 120.500 -0.266 0.000 2.081 510 R HA -0.107 3.892 4.340 -0.568 0.000 0.235 510 R C 1.952 177.956 176.300 -0.493 0.000 1.131 510 R CA 1.503 57.391 56.100 -0.354 0.000 0.960 510 R CB -0.239 29.910 30.300 -0.251 0.000 0.856 510 R HN 0.247 nan 8.270 nan 0.000 0.436 511 V N 1.379 121.010 119.914 -0.473 0.000 2.295 511 V HA -0.231 3.548 4.120 -0.568 0.000 0.246 511 V C 1.973 177.743 176.094 -0.541 0.000 1.049 511 V CA 2.193 64.108 62.300 -0.642 0.000 1.024 511 V CB -0.470 31.032 31.823 -0.535 0.000 0.648 511 V HN 0.437 nan 8.190 nan 0.000 0.447 512 E N -1.074 118.903 120.200 -0.372 0.000 2.204 512 E HA -0.181 3.828 4.350 -0.568 0.000 0.194 512 E C 2.203 178.599 176.600 -0.340 0.000 0.989 512 E CA 1.403 57.641 56.400 -0.270 0.000 0.824 512 E CB -0.262 29.330 29.700 -0.181 0.000 0.756 512 E HN 0.604 nan 8.360 nan 0.000 0.477 513 C N 0.447 119.415 119.300 -0.553 0.000 2.446 513 C HA -0.054 4.065 4.460 -0.568 0.000 0.277 513 C C 2.505 176.930 174.990 -0.942 0.000 1.275 513 C CA 0.340 58.783 59.018 -0.958 0.000 1.727 513 C CB -0.773 26.018 27.740 -1.582 0.000 2.010 513 C HN 0.409 nan 8.230 nan 0.000 0.486 514 L N 0.614 121.360 121.223 -0.795 0.000 2.083 514 L HA -0.172 3.828 4.340 -0.568 0.000 0.209 514 L C 2.577 179.406 176.870 -0.070 0.000 1.083 514 L CA 1.533 56.151 54.840 -0.370 0.000 0.752 514 L CB -0.690 41.169 42.059 -0.334 0.000 0.899 514 L HN 0.457 nan 8.230 nan 0.000 0.433 515 E N -0.172 119.959 120.200 -0.116 0.000 2.106 515 E HA -0.241 3.768 4.350 -0.568 0.000 0.192 515 E C 2.098 178.716 176.600 0.030 0.000 0.984 515 E CA 0.822 57.241 56.400 0.033 0.000 0.806 515 E CB -0.110 29.593 29.700 0.005 0.000 0.750 515 E HN 0.243 nan 8.360 nan 0.000 0.458 516 L N 1.789 123.004 121.223 -0.012 0.000 2.079 516 L HA -0.198 3.801 4.340 -0.568 0.000 0.210 516 L C 1.426 178.364 176.870 0.113 0.000 1.081 516 L CA 1.846 56.715 54.840 0.049 0.000 0.752 516 L CB -0.366 41.732 42.059 0.065 0.000 0.896 516 L HN -0.011 nan 8.230 nan 0.000 0.433 517 D N -0.369 120.139 120.400 0.180 0.000 2.123 517 D HA -0.182 4.117 4.640 -0.568 0.000 0.196 517 D C 1.814 178.178 176.300 0.108 0.000 0.992 517 D CA 1.278 55.388 54.000 0.184 0.000 0.833 517 D CB -0.268 40.686 40.800 0.257 0.000 0.954 517 D HN 0.444 nan 8.370 nan 0.000 0.455 518 N N 0.321 119.080 118.700 0.098 0.000 2.270 518 N HA -0.028 4.371 4.740 -0.568 0.000 0.181 518 N C 2.124 177.662 175.510 0.046 0.000 1.016 518 N CA 0.185 53.276 53.050 0.070 0.000 0.870 518 N CB -0.154 38.378 38.487 0.075 0.000 0.979 518 N HN 0.261 nan 8.380 nan 0.000 0.431 519 L N 0.206 121.452 121.223 0.039 0.000 2.046 519 L HA -0.124 3.875 4.340 -0.568 0.000 0.208 519 L C 2.409 179.277 176.870 -0.003 0.000 1.077 519 L CA 0.911 55.757 54.840 0.010 0.000 0.747 519 L CB -0.277 41.782 42.059 0.001 0.000 0.896 519 L HN 0.123 nan 8.230 nan 0.000 0.432 520 M N -0.100 119.512 119.600 0.019 0.000 2.067 520 M HA -0.183 3.956 4.480 -0.568 0.000 0.260 520 M C 2.167 178.478 176.300 0.019 0.000 1.069 520 M CA 1.780 57.088 55.300 0.014 0.000 1.117 520 M CB -0.361 32.253 32.600 0.023 0.000 1.334 520 M HN 0.044 nan 8.290 nan 0.000 0.407 521 E N -0.621 119.592 120.200 0.022 0.000 2.077 521 E HA -0.151 3.858 4.350 -0.568 0.000 0.193 521 E C 2.046 178.648 176.600 0.003 0.000 0.989 521 E CA 1.982 58.396 56.400 0.023 0.000 0.800 521 E CB -0.776 28.943 29.700 0.033 0.000 0.746 521 E HN 0.570 nan 8.360 nan 0.000 0.452 522 T N 1.204 115.760 114.554 0.004 0.000 2.777 522 T HA -0.058 3.952 4.350 -0.568 0.000 0.266 522 T C 1.976 176.658 174.700 -0.030 0.000 1.040 522 T CA 1.360 63.465 62.100 0.008 0.000 1.141 522 T CB -0.169 68.737 68.868 0.063 0.000 0.868 522 T HN 0.265 nan 8.240 nan 0.000 0.444 523 A N 0.410 123.188 122.820 -0.070 0.000 1.902 523 A HA -0.077 3.902 4.320 -0.568 0.000 0.217 523 A C 2.104 179.574 177.584 -0.190 0.000 1.181 523 A CA 1.383 53.316 52.037 -0.173 0.000 0.623 523 A CB -0.979 17.919 19.000 -0.170 0.000 0.818 523 A HN 0.559 nan 8.150 nan 0.000 0.443 524 Y N 0.478 120.648 120.300 -0.218 0.000 2.163 524 Y HA -0.051 4.159 4.550 -0.567 0.000 0.288 524 Y C 2.702 178.394 175.900 -0.347 0.000 1.136 524 Y CA 1.250 59.215 58.100 -0.225 0.000 1.147 524 Y CB -0.486 37.888 38.460 -0.144 0.000 0.987 524 Y HN 0.306 nan 8.280 nan 0.000 0.509 525 A N -0.902 121.695 122.820 -0.371 0.000 1.940 525 A HA -0.201 3.778 4.320 -0.568 0.000 0.219 525 A C 2.217 179.543 177.584 -0.431 0.000 1.176 525 A CA 2.306 53.900 52.037 -0.739 0.000 0.631 525 A CB -1.302 17.317 19.000 -0.636 0.000 0.814 525 A HN 0.505 nan 8.150 nan 0.000 0.446 526 T N 0.152 114.547 114.554 -0.264 0.000 2.708 526 T HA 0.008 4.017 4.350 -0.568 0.000 0.266 526 T C 2.258 176.760 174.700 -0.331 0.000 1.037 526 T CA 1.569 63.578 62.100 -0.152 0.000 1.146 526 T CB -0.453 68.410 68.868 -0.008 0.000 0.865 526 T HN 0.605 nan 8.240 nan 0.000 0.435 527 A N 1.118 123.575 122.820 -0.605 0.000 1.858 527 A HA -0.066 3.913 4.320 -0.568 0.000 0.216 527 A C 2.588 180.028 177.584 -0.240 0.000 1.190 527 A CA 1.541 53.128 52.037 -0.749 0.000 0.617 527 A CB -1.142 17.431 19.000 -0.712 0.000 0.827 527 A HN 0.335 nan 8.150 nan 0.000 0.443 528 V N 0.176 119.889 119.914 -0.335 0.000 2.392 528 V HA -0.248 3.531 4.120 -0.568 0.000 0.249 528 V C 2.770 178.877 176.094 0.021 0.000 1.059 528 V CA 2.400 64.605 62.300 -0.159 0.000 1.051 528 V CB -0.858 30.851 31.823 -0.189 0.000 0.658 528 V HN 0.566 nan 8.190 nan 0.000 0.455 529 S N 0.038 115.730 115.700 -0.013 0.000 2.371 529 S HA -0.081 4.048 4.470 -0.568 0.000 0.224 529 S C 2.240 176.898 174.600 0.097 0.000 1.029 529 S CA 1.220 59.471 58.200 0.086 0.000 0.978 529 S CB -0.432 62.787 63.200 0.032 0.000 0.833 529 S HN 0.650 nan 8.310 nan 0.000 0.466 530 A N 2.934 125.814 122.820 0.099 0.000 1.877 530 A HA -0.154 3.825 4.320 -0.568 0.000 0.216 530 A C 1.943 179.673 177.584 0.243 0.000 1.186 530 A CA 1.467 53.631 52.037 0.212 0.000 0.620 530 A CB -0.756 18.547 19.000 0.504 0.000 0.822 530 A HN 0.471 nan 8.150 nan 0.000 0.443 531 N N -1.289 117.568 118.700 0.262 0.000 2.223 531 N HA -0.151 4.248 4.740 -0.568 0.000 0.185 531 N C 1.515 177.125 175.510 0.168 0.000 1.016 531 N CA 1.548 54.728 53.050 0.216 0.000 0.863 531 N CB -0.369 38.245 38.487 0.211 0.000 0.983 531 N HN 0.539 nan 8.380 nan 0.000 0.429 532 F N 2.088 122.047 119.950 0.015 0.000 2.060 532 F HA -0.022 4.164 4.527 -0.568 0.000 0.295 532 F C 1.278 176.978 175.800 -0.166 0.000 1.120 532 F CA 0.864 58.878 58.000 0.024 0.000 1.205 532 F CB -0.311 38.741 39.000 0.087 0.000 0.986 532 F HN -0.210 nan 8.300 nan 0.000 0.470 533 R N 1.456 121.598 120.500 -0.597 0.000 2.413 533 R HA 0.059 4.059 4.340 -0.568 0.000 0.333 533 R C -0.481 175.177 176.300 -1.069 0.000 1.074 533 R CA 0.558 55.769 56.100 -1.481 0.000 0.982 533 R CB -0.352 29.295 30.300 -1.088 0.000 0.981 533 R HN 0.325 nan 8.270 nan 0.000 0.452 534 T N 1.936 115.712 114.554 -1.297 0.000 3.855 534 T HA 0.206 4.215 4.350 -0.568 0.000 0.306 534 T C -0.281 173.870 174.700 -0.915 0.000 1.575 534 T CA -0.555 60.912 62.100 -1.055 0.000 1.214 534 T CB -0.375 67.743 68.868 -1.250 0.000 1.262 534 T HN 0.783 nan 8.240 nan 0.000 0.883 535 E N -0.595 119.288 120.200 -0.530 0.000 2.442 535 E HA 0.582 4.591 4.350 -0.568 0.000 0.278 535 E C -1.571 175.018 176.600 -0.019 0.000 1.082 535 E CA -1.258 55.032 56.400 -0.183 0.000 0.861 535 E CB 0.555 30.114 29.700 -0.234 0.000 1.462 535 E HN 0.008 nan 8.360 nan 0.000 0.458 536 S N 0.040 115.760 115.700 0.033 0.000 2.669 536 S HA 0.532 4.661 4.470 -0.568 0.000 0.315 536 S C -1.045 173.594 174.600 0.066 0.000 1.106 536 S CA -0.688 57.526 58.200 0.024 0.000 1.107 536 S CB 0.668 63.868 63.200 -0.000 0.000 0.990 536 S HN 0.439 nan 8.310 nan 0.000 0.471 537 R N 2.258 122.818 120.500 0.101 0.000 2.533 537 R HA 0.570 4.569 4.340 -0.568 0.000 0.288 537 R C 0.717 177.087 176.300 0.116 0.000 1.039 537 R CA 0.323 56.487 56.100 0.107 0.000 0.909 537 R CB 0.953 31.314 30.300 0.102 0.000 1.195 537 R HN 0.841 nan 8.270 nan 0.000 0.438 538 G N 2.564 111.426 108.800 0.103 0.000 2.591 538 G HA2 -0.452 3.167 3.960 -0.568 0.000 0.298 538 G HA3 -0.452 3.167 3.960 -0.568 0.000 0.298 538 G C 0.686 175.637 174.900 0.085 0.000 1.195 538 G CA 0.517 45.676 45.100 0.098 0.000 0.989 538 G HN 0.849 nan 8.290 nan 0.000 0.551 539 A N -0.402 122.486 122.820 0.113 0.000 2.167 539 A HA 0.344 4.324 4.320 -0.568 0.000 0.214 539 A C 1.133 178.798 177.584 0.134 0.000 1.151 539 A CA 1.816 53.926 52.037 0.122 0.000 0.735 539 A CB -0.293 18.825 19.000 0.197 0.000 0.802 539 A HN 1.396 nan 8.150 nan 0.000 0.467 540 H N 0.322 119.419 119.070 0.045 0.000 2.761 540 H HA 0.555 4.772 4.556 -0.565 0.000 0.284 540 H C -0.622 174.688 175.328 -0.030 0.000 1.105 540 H CA 0.094 56.158 56.048 0.027 0.000 1.352 540 H CB 0.384 30.159 29.762 0.023 0.000 1.423 540 H HN 0.061 nan 8.280 nan 0.000 0.464 541 S N 5.410 120.858 115.700 -0.420 0.000 2.605 541 S HA 0.531 4.660 4.470 -0.568 0.000 0.308 541 S C -0.808 173.523 174.600 -0.450 0.000 1.113 541 S CA -0.845 57.135 58.200 -0.366 0.000 1.049 541 S CB 0.288 63.314 63.200 -0.290 0.000 1.001 541 S HN 0.763 nan 8.310 nan 0.000 0.480 542 R N 3.046 123.330 120.500 -0.359 0.000 2.562 542 R HA 0.421 4.420 4.340 -0.568 0.000 0.298 542 R C -0.136 176.066 176.300 -0.164 0.000 0.961 542 R CA -0.613 55.340 56.100 -0.246 0.000 0.881 542 R CB 0.877 31.138 30.300 -0.066 0.000 1.159 542 R HN 0.567 nan 8.270 nan 0.000 0.450 543 F N 1.157 121.117 119.950 0.017 0.000 2.259 543 F HA -0.134 4.044 4.527 -0.582 0.000 0.298 543 F C 2.053 177.814 175.800 -0.064 0.000 1.088 543 F CA 1.158 59.145 58.000 -0.023 0.000 1.358 543 F CB -0.034 38.932 39.000 -0.056 0.000 1.040 543 F HN 0.592 nan 8.300 nan 0.000 0.505 544 D N -1.210 119.244 120.400 0.090 0.000 2.347 544 D HA -0.129 4.170 4.640 -0.568 0.000 0.215 544 D C 0.023 176.013 176.300 -0.517 0.000 0.976 544 D CA 0.651 54.550 54.000 -0.168 0.000 0.884 544 D CB -0.555 40.166 40.800 -0.133 0.000 0.915 544 D HN 0.235 nan 8.370 nan 0.000 0.526 545 F N 0.199 120.163 119.950 0.023 0.000 2.872 545 F HA 0.281 4.467 4.527 -0.570 0.000 0.363 545 F C -1.945 173.850 175.800 -0.008 0.000 1.357 545 F CA -1.750 56.255 58.000 0.009 0.000 1.174 545 F CB 2.045 41.038 39.000 -0.013 0.000 1.860 545 F HN -0.226 nan 8.300 nan 0.000 0.615 546 P HA -0.004 nan 4.420 nan 0.000 0.233 546 P C -0.208 177.145 177.300 0.088 0.000 1.167 546 P CA 0.879 64.028 63.100 0.082 0.000 0.770 546 P CB 0.531 32.282 31.700 0.086 0.000 0.837 547 D N 0.132 120.600 120.400 0.114 0.000 2.277 547 D HA 0.223 4.522 4.640 -0.568 0.000 0.250 547 D C 0.147 176.512 176.300 0.109 0.000 1.032 547 D CA -0.526 53.537 54.000 0.105 0.000 0.947 547 D CB 1.351 42.214 40.800 0.105 0.000 1.159 547 D HN -0.155 nan 8.370 nan 0.000 0.460 548 R N 1.036 121.594 120.500 0.097 0.000 2.265 548 R HA 0.132 4.131 4.340 -0.568 0.000 0.314 548 R C -0.873 175.496 176.300 0.115 0.000 1.053 548 R CA -0.347 55.814 56.100 0.102 0.000 0.931 548 R CB 0.553 30.912 30.300 0.098 0.000 1.024 548 R HN 0.246 nan 8.270 nan 0.000 0.457 549 D N 3.077 123.568 120.400 0.151 0.000 2.472 549 D HA 0.107 4.406 4.640 -0.568 0.000 0.234 549 D C -0.395 176.002 176.300 0.162 0.000 1.088 549 D CA -0.402 53.704 54.000 0.177 0.000 0.882 549 D CB 1.202 42.171 40.800 0.282 0.000 1.037 549 D HN 0.449 nan 8.370 nan 0.000 0.520 550 D N 2.116 122.571 120.400 0.091 0.000 2.347 550 D HA -0.039 4.260 4.640 -0.568 0.000 0.213 550 D C 1.328 177.644 176.300 0.027 0.000 0.985 550 D CA 0.516 54.550 54.000 0.056 0.000 0.879 550 D CB 0.506 41.314 40.800 0.014 0.000 0.919 550 D HN 0.591 nan 8.370 nan 0.000 0.526 551 E N 0.001 120.215 120.200 0.024 0.000 2.122 551 E HA 0.019 4.028 4.350 -0.568 0.000 0.190 551 E C 1.285 177.845 176.600 -0.067 0.000 0.977 551 E CA 0.479 56.871 56.400 -0.014 0.000 0.820 551 E CB 0.258 29.956 29.700 -0.004 0.000 0.770 551 E HN 0.190 nan 8.360 nan 0.000 0.462 552 N N -1.219 117.428 118.700 -0.087 0.000 2.407 552 N HA 0.016 4.415 4.740 -0.568 0.000 0.182 552 N C 0.306 175.483 175.510 -0.555 0.000 1.079 552 N CA 0.389 53.242 53.050 -0.328 0.000 0.882 552 N CB 0.409 38.681 38.487 -0.357 0.000 1.106 552 N HN 0.165 nan 8.380 nan 0.000 0.461 553 W N 0.823 122.093 121.300 -0.050 0.000 2.407 553 W HA 0.378 4.699 4.660 -0.565 0.000 0.370 553 W C -0.014 176.483 176.519 -0.036 0.000 0.928 553 W CA -0.488 56.823 57.345 -0.056 0.000 2.005 553 W CB 0.202 29.616 29.460 -0.076 0.000 1.171 553 W HN -0.161 nan 8.180 nan 0.000 0.572 554 L N 3.374 124.661 121.223 0.107 0.000 2.437 554 L HA 0.314 4.313 4.340 -0.568 0.000 0.243 554 L C 0.294 177.176 176.870 0.019 0.000 1.346 554 L CA -0.243 54.636 54.840 0.065 0.000 1.233 554 L CB -1.388 40.691 42.059 0.035 0.000 1.436 554 L HN 0.190 nan 8.230 nan 0.000 0.416 555 C N -1.253 118.060 119.300 0.021 0.000 3.253 555 C HA 0.495 4.614 4.460 -0.568 0.000 0.362 555 C C -0.318 174.628 174.990 -0.073 0.000 1.487 555 C CA -1.156 57.839 59.018 -0.038 0.000 1.179 555 C CB 1.380 29.142 27.740 0.036 0.000 1.660 555 C HN 0.456 nan 8.230 nan 0.000 0.438 556 H N 1.048 120.198 119.070 0.134 0.000 2.483 556 H HA 0.637 4.852 4.556 -0.568 0.000 0.338 556 H C 0.293 175.739 175.328 0.197 0.000 1.152 556 H CA 0.624 56.752 56.048 0.134 0.000 1.264 556 H CB 1.899 31.708 29.762 0.077 0.000 1.510 556 H HN 0.943 nan 8.280 nan 0.000 0.530 557 S N 1.940 117.841 115.700 0.335 0.000 2.578 557 S HA 0.465 4.594 4.470 -0.568 0.000 0.283 557 S C -0.461 174.257 174.600 0.195 0.000 1.195 557 S CA -0.839 57.566 58.200 0.342 0.000 1.050 557 S CB 1.312 64.733 63.200 0.368 0.000 1.012 557 S HN 0.358 nan 8.310 nan 0.000 0.511 558 L N 2.853 124.147 121.223 0.118 0.000 2.406 558 L HA 0.476 4.475 4.340 -0.568 0.000 0.272 558 L C -1.573 175.305 176.870 0.013 0.000 0.980 558 L CA -0.737 54.135 54.840 0.054 0.000 0.831 558 L CB 1.683 43.757 42.059 0.025 0.000 1.253 558 L HN 0.867 nan 8.230 nan 0.000 0.406 559 Y N 5.763 126.022 120.300 -0.068 0.000 2.425 559 Y HA 0.540 4.749 4.550 -0.567 0.000 0.347 559 Y C -0.884 174.983 175.900 -0.054 0.000 0.976 559 Y CA -0.516 57.538 58.100 -0.077 0.000 1.190 559 Y CB 0.621 39.053 38.460 -0.047 0.000 1.136 559 Y HN 0.516 nan 8.280 nan 0.000 0.517 560 L N 10.069 130.969 121.223 -0.538 0.000 2.283 560 L HA 0.260 4.259 4.340 -0.568 0.000 0.287 560 L C -1.694 174.790 176.870 -0.643 0.000 1.073 560 L CA -1.760 52.819 54.840 -0.434 0.000 0.822 560 L CB 0.988 42.881 42.059 -0.278 0.000 1.186 560 L HN 0.562 nan 8.230 nan 0.000 0.436 561 P HA -0.133 nan 4.420 nan 0.000 0.216 561 P C 1.087 178.300 177.300 -0.144 0.000 1.153 561 P CA 1.103 64.082 63.100 -0.202 0.000 0.848 561 P CB 0.410 32.105 31.700 -0.008 0.000 0.787 562 E N -0.465 119.662 120.200 -0.123 0.000 2.150 562 E HA -0.103 3.906 4.350 -0.568 0.000 0.193 562 E C 1.730 178.278 176.600 -0.085 0.000 0.985 562 E CA 1.656 58.007 56.400 -0.081 0.000 0.814 562 E CB -0.274 29.386 29.700 -0.066 0.000 0.752 562 E HN 0.297 nan 8.360 nan 0.000 0.466 563 S N -0.475 115.149 115.700 -0.127 0.000 2.540 563 S HA 0.096 4.225 4.470 -0.568 0.000 0.218 563 S C 0.197 174.730 174.600 -0.111 0.000 0.977 563 S CA -0.246 57.892 58.200 -0.102 0.000 0.918 563 S CB 0.137 63.277 63.200 -0.101 0.000 0.806 563 S HN 0.165 nan 8.310 nan 0.000 0.496 564 E N 1.567 121.656 120.200 -0.186 0.000 2.328 564 E HA -0.191 3.818 4.350 -0.568 0.000 0.233 564 E C -0.101 176.425 176.600 -0.123 0.000 1.219 564 E CA 0.687 56.999 56.400 -0.146 0.000 0.717 564 E CB -1.982 27.798 29.700 0.134 0.000 1.210 564 E HN 0.843 nan 8.360 nan 0.000 0.381 565 S N -1.301 114.234 115.700 -0.275 0.000 2.745 565 S HA 0.803 4.932 4.470 -0.568 0.000 0.306 565 S C -0.121 174.306 174.600 -0.287 0.000 1.137 565 S CA -1.206 56.882 58.200 -0.187 0.000 0.900 565 S CB 2.121 65.243 63.200 -0.129 0.000 1.176 565 S HN 0.080 nan 8.310 nan 0.000 0.520 566 M N 1.222 120.615 119.600 -0.347 0.000 2.578 566 M HA 0.682 4.821 4.480 -0.568 0.000 0.321 566 M C 0.056 176.047 176.300 -0.515 0.000 1.182 566 M CA -0.289 54.652 55.300 -0.598 0.000 0.965 566 M CB 1.523 33.303 32.600 -1.365 0.000 1.694 566 M HN 1.037 nan 8.290 nan 0.000 0.461 567 T N 0.977 115.314 114.554 -0.361 0.000 2.618 567 T HA 0.705 4.714 4.350 -0.568 0.000 0.293 567 T C -1.424 173.321 174.700 0.074 0.000 1.093 567 T CA -0.667 61.373 62.100 -0.099 0.000 1.061 567 T CB 1.889 70.719 68.868 -0.064 0.000 1.498 567 T HN 0.705 nan 8.240 nan 0.000 0.494 568 R N 0.663 121.225 120.500 0.103 0.000 2.725 568 R HA 0.678 4.677 4.340 -0.568 0.000 0.277 568 R C -0.866 175.494 176.300 0.099 0.000 0.987 568 R CA -0.952 55.238 56.100 0.150 0.000 0.901 568 R CB 2.246 32.618 30.300 0.120 0.000 1.207 568 R HN 0.475 nan 8.270 nan 0.000 0.463 569 R N 0.334 120.920 120.500 0.143 0.000 2.803 569 R HA 0.400 4.399 4.340 -0.568 0.000 0.276 569 R C -0.560 175.844 176.300 0.173 0.000 0.978 569 R CA -0.750 55.428 56.100 0.129 0.000 0.939 569 R CB 2.477 32.844 30.300 0.110 0.000 1.179 569 R HN 0.529 nan 8.270 nan 0.000 0.472 570 S N 0.906 116.682 115.700 0.126 0.000 2.562 570 S HA 0.097 4.226 4.470 -0.568 0.000 0.281 570 S C 0.070 174.787 174.600 0.195 0.000 1.333 570 S CA -0.542 57.725 58.200 0.112 0.000 1.052 570 S CB 0.928 64.168 63.200 0.066 0.000 0.884 570 S HN 0.223 nan 8.310 nan 0.000 0.506 571 V N 4.431 124.407 119.914 0.103 0.000 2.461 571 V HA 0.170 3.949 4.120 -0.568 0.000 0.275 571 V C 0.723 176.885 176.094 0.114 0.000 1.047 571 V CA -0.816 61.545 62.300 0.102 0.000 0.955 571 V CB 0.994 32.790 31.823 -0.045 0.000 0.988 571 V HN 0.809 nan 8.190 nan 0.000 0.471 572 N N 5.554 124.339 118.700 0.142 0.000 2.475 572 N HA 0.240 4.639 4.740 -0.568 0.000 0.267 572 N C -0.347 175.227 175.510 0.107 0.000 1.169 572 N CA 0.074 53.187 53.050 0.104 0.000 0.947 572 N CB 0.827 39.370 38.487 0.092 0.000 1.061 572 N HN 0.668 nan 8.380 nan 0.000 0.466 573 M N 3.007 122.660 119.600 0.090 0.000 3.189 573 M HA 0.195 4.334 4.480 -0.568 0.000 0.365 573 M C -0.885 175.461 176.300 0.076 0.000 1.447 573 M CA -0.069 55.290 55.300 0.098 0.000 0.739 573 M CB 0.566 33.221 32.600 0.091 0.000 1.411 573 M HN 0.370 nan 8.290 nan 0.000 0.494 574 E N 1.500 121.745 120.200 0.076 0.000 3.132 574 E HA 0.293 4.302 4.350 -0.568 0.000 0.241 574 E C -2.511 174.134 176.600 0.075 0.000 1.196 574 E CA -1.603 54.833 56.400 0.061 0.000 0.869 574 E CB 1.560 31.287 29.700 0.045 0.000 1.387 574 E HN 0.122 nan 8.360 nan 0.000 0.393 575 P HA -0.015 nan 4.420 nan 0.000 0.269 575 P C 0.551 177.910 177.300 0.098 0.000 1.217 575 P CA -0.245 62.927 63.100 0.120 0.000 0.783 575 P CB 0.989 32.773 31.700 0.141 0.000 0.898 576 K N 0.861 121.329 120.400 0.115 0.000 2.308 576 K HA 0.183 4.162 4.320 -0.568 0.000 0.197 576 K C 1.491 178.154 176.600 0.104 0.000 1.049 576 K CA 0.956 57.298 56.287 0.092 0.000 0.991 576 K CB -0.071 32.479 32.500 0.082 0.000 0.836 576 K HN 0.397 nan 8.250 nan 0.000 0.500 577 L N 0.615 121.935 121.223 0.161 0.000 2.638 577 L HA 0.196 4.195 4.340 -0.568 0.000 0.232 577 L C 0.704 177.682 176.870 0.179 0.000 1.099 577 L CA -0.167 54.790 54.840 0.196 0.000 0.883 577 L CB 0.232 42.474 42.059 0.305 0.000 1.136 577 L HN 0.051 nan 8.230 nan 0.000 0.492 578 R N -0.967 119.615 120.500 0.137 0.000 2.734 578 R HA 0.547 4.546 4.340 -0.568 0.000 0.271 578 R C -3.098 173.178 176.300 -0.040 0.000 1.021 578 R CA -1.600 54.519 56.100 0.031 0.000 0.893 578 R CB 0.633 30.933 30.300 -0.001 0.000 1.244 578 R HN -0.347 nan 8.270 nan 0.000 0.464 579 P HA 0.108 nan 4.420 nan 0.000 0.269 579 P C -0.681 176.472 177.300 -0.245 0.000 1.215 579 P CA -0.171 62.839 63.100 -0.150 0.000 0.780 579 P CB 0.678 32.276 31.700 -0.170 0.000 0.898 580 A N 2.015 124.752 122.820 -0.138 0.000 2.425 580 A HA 0.305 4.284 4.320 -0.568 0.000 0.242 580 A C -0.425 177.066 177.584 -0.154 0.000 1.077 580 A CA -0.117 51.869 52.037 -0.086 0.000 0.781 580 A CB -0.577 18.442 19.000 0.032 0.000 1.020 580 A HN 0.398 nan 8.150 nan 0.000 0.494 581 F N 3.126 123.161 119.950 0.142 0.000 2.413 581 F HA 0.305 4.493 4.527 -0.566 0.000 0.359 581 F C -1.512 174.391 175.800 0.171 0.000 1.122 581 F CA -1.850 56.258 58.000 0.180 0.000 1.160 581 F CB 0.712 39.861 39.000 0.249 0.000 1.146 581 F HN 0.353 nan 8.300 nan 0.000 0.514 582 P HA 0.126 nan 4.420 nan 0.000 0.271 582 P C -2.668 174.567 177.300 -0.109 0.000 1.216 582 P CA -1.496 61.641 63.100 0.062 0.000 0.776 582 P CB 0.215 31.927 31.700 0.021 0.000 0.881 583 P HA 0.084 nan 4.420 nan 0.000 0.266 583 P C -0.014 176.934 177.300 -0.588 0.000 1.215 583 P CA 0.521 63.101 63.100 -0.866 0.000 0.763 583 P CB 0.190 31.628 31.700 -0.435 0.000 0.806 584 K N 2.350 122.327 120.400 -0.705 0.000 2.372 584 K HA 0.565 4.544 4.320 -0.568 0.000 0.251 584 K C -0.591 175.925 176.600 -0.140 0.000 1.055 584 K CA -1.213 54.924 56.287 -0.249 0.000 0.879 584 K CB 0.906 33.358 32.500 -0.080 0.000 1.384 584 K HN 0.020 nan 8.250 nan 0.000 0.465 585 I N 1.506 122.054 120.570 -0.036 0.000 2.710 585 I HA 0.015 3.845 4.170 -0.568 0.000 0.286 585 I C 0.487 176.633 176.117 0.048 0.000 1.181 585 I CA 0.329 61.638 61.300 0.015 0.000 1.430 585 I CB 0.394 38.404 38.000 0.016 0.000 1.367 585 I HN 0.491 nan 8.210 nan 0.000 0.577 586 R N 5.405 125.945 120.500 0.066 0.000 2.287 586 R HA 0.410 4.409 4.340 -0.568 0.000 0.316 586 R C -1.047 175.228 176.300 -0.042 0.000 1.050 586 R CA -0.325 55.789 56.100 0.022 0.000 0.983 586 R CB 0.495 30.855 30.300 0.100 0.000 1.140 586 R HN 0.809 nan 8.270 nan 0.000 0.528 587 T N 0.072 114.551 114.554 -0.126 0.000 2.907 587 T HA 0.468 4.478 4.350 -0.568 0.000 0.292 587 T C -0.743 173.825 174.700 -0.221 0.000 1.043 587 T CA -0.602 61.454 62.100 -0.072 0.000 1.003 587 T CB 1.351 70.228 68.868 0.014 0.000 1.084 587 T HN 0.322 nan 8.240 nan 0.000 0.483 588 Y N 0.000 120.336 120.300 0.059 0.000 2.660 588 Y HA 0.000 4.209 4.550 -0.568 0.000 0.201 588 Y CA 0.000 58.129 58.100 0.048 0.000 1.940 588 Y CB 0.000 38.483 38.460 0.038 0.000 1.050 588 Y HN 0.000 nan 8.280 nan 0.000 0.758