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 3cy1_1_A DATA FIRST_RESID 2 DATA SEQUENCE TATVLLEVPF SARGDRIPDA VAELRTREPI RKVRTITGAE AWLVSSYALC DATA SEQUENCE TQVLEDRRFS MKETAAAGAP RLNALTVPPE VVNNMGNIAD AGLRKAVMKA DATA SEQUENCE ITPKAPGLEQ FLRDTANSLL DNLITEGAPA DLRNDFADPL ATALHCKVLG DATA SEQUENCE IPQEDGPKLF RSLSIAFMSS ADPIPAAKIN WDRDIEYMAG ILENPNITTG DATA SEQUENCE LMGELSRLRK DPAYSHVSDE LFATIGVTFF GAGVISTGSF LTTALISLIQ DATA SEQUENCE RPQLRNLLHE KPELIPAGVE ELLRINLAFA DGLPRLATAD IQVGDVLVRK DATA SEQUENCE GELVLVLLEG ANFDPEHFPN PGSIELDRPN PTSHLAFGRG QHFCPGSALG DATA SEQUENCE RRHAQIGIEA LLKKMPGVDL AVPIDQLVWR TRFQRRIPER LPVLW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.700 174.700 -0.001 0.000 1.109 2 T CA 0.000 nan 62.100 nan 0.000 1.349 2 T CB 0.000 nan 68.868 nan 0.000 0.612 3 A N 2.459 125.279 122.820 -0.000 0.000 2.198 3 A HA 0.410 4.708 4.320 -0.036 0.000 0.322 3 A C 0.984 178.567 177.584 -0.001 0.000 0.870 3 A CA 1.388 53.425 52.037 -0.001 0.000 1.382 3 A CB -1.651 17.348 19.000 -0.001 0.000 0.668 3 A HN 1.921 nan 8.150 nan 0.000 0.299 4 T N 0.398 114.951 114.554 -0.001 0.000 2.912 4 T HA 0.675 5.003 4.350 -0.036 0.000 0.280 4 T C 0.508 175.207 174.700 -0.002 0.000 0.989 4 T CA -0.332 61.767 62.100 -0.001 0.000 0.995 4 T CB 1.324 70.191 68.868 -0.001 0.000 1.077 4 T HN 1.632 nan 8.240 nan 0.000 0.531 5 V N -0.488 119.426 119.914 -0.001 0.000 2.997 5 V HA 0.634 4.733 4.120 -0.036 0.000 0.311 5 V C 0.311 176.403 176.094 -0.003 0.000 1.066 5 V CA -1.412 60.886 62.300 -0.004 0.000 1.039 5 V CB 0.607 32.428 31.823 -0.003 0.000 1.081 5 V HN 0.854 nan 8.190 nan 0.000 0.467 6 L N 2.538 123.755 121.223 -0.011 0.000 2.525 6 L HA 0.242 4.560 4.340 -0.036 0.000 0.278 6 L C 0.115 176.987 176.870 0.003 0.000 1.218 6 L CA 0.107 54.939 54.840 -0.014 0.000 0.878 6 L CB 0.053 42.089 42.059 -0.038 0.000 1.127 6 L HN 0.840 nan 8.230 nan 0.000 0.492 7 L N 5.176 126.412 121.223 0.023 0.000 2.640 7 L HA 0.010 4.329 4.340 -0.036 0.000 0.280 7 L C 0.083 176.998 176.870 0.074 0.000 1.229 7 L CA 0.900 55.782 54.840 0.069 0.000 0.919 7 L CB -0.195 41.931 42.059 0.111 0.000 1.168 7 L HN 0.725 nan 8.230 nan 0.000 0.496 8 E N 3.785 124.040 120.200 0.092 0.000 2.231 8 E HA 0.554 4.883 4.350 -0.036 0.000 0.277 8 E C -0.796 175.826 176.600 0.037 0.000 0.999 8 E CA -0.733 55.695 56.400 0.047 0.000 0.827 8 E CB 1.716 31.438 29.700 0.036 0.000 1.101 8 E HN 0.558 nan 8.360 nan 0.000 0.393 9 V N -0.186 119.673 119.914 -0.091 0.000 2.815 9 V HA 0.650 4.749 4.120 -0.036 0.000 0.314 9 V C -2.410 173.590 176.094 -0.157 0.000 1.064 9 V CA -2.408 59.739 62.300 -0.255 0.000 0.952 9 V CB 1.305 32.906 31.823 -0.370 0.000 1.020 9 V HN 0.571 nan 8.190 nan 0.000 0.439 10 P HA 0.367 nan 4.420 nan 0.000 0.276 10 P C 0.344 177.542 177.300 -0.171 0.000 1.252 10 P CA -0.237 62.693 63.100 -0.283 0.000 0.802 10 P CB 0.985 32.593 31.700 -0.154 0.000 1.035 11 F N -0.522 119.410 119.950 -0.029 0.000 2.163 11 F HA -0.024 4.484 4.527 -0.032 0.000 0.297 11 F C 1.635 177.407 175.800 -0.048 0.000 1.094 11 F CA 0.859 58.836 58.000 -0.039 0.000 1.290 11 F CB 0.061 39.032 39.000 -0.049 0.000 1.017 11 F HN 0.319 nan 8.300 nan 0.000 0.483 12 S N -1.007 114.763 115.700 0.116 0.000 2.535 12 S HA 0.621 5.069 4.470 -0.036 0.000 0.272 12 S C -0.091 174.487 174.600 -0.037 0.000 1.149 12 S CA -0.358 57.852 58.200 0.017 0.000 0.888 12 S CB 1.689 64.875 63.200 -0.023 0.000 1.110 12 S HN 0.139 nan 8.310 nan 0.000 0.463 13 A N 3.498 126.296 122.820 -0.038 0.000 2.251 13 A HA 0.319 4.618 4.320 -0.036 0.000 0.209 13 A C 0.939 178.405 177.584 -0.195 0.000 1.187 13 A CA -0.029 51.993 52.037 -0.025 0.000 0.823 13 A CB -0.207 18.842 19.000 0.082 0.000 0.846 13 A HN 0.751 nan 8.150 nan 0.000 0.486 14 R N -0.426 119.828 120.500 -0.411 0.000 2.401 14 R HA 0.264 4.582 4.340 -0.036 0.000 0.299 14 R C 1.047 176.734 176.300 -1.023 0.000 1.064 14 R CA 0.477 55.941 56.100 -1.059 0.000 1.000 14 R CB 0.637 30.519 30.300 -0.697 0.000 0.973 14 R HN 0.259 nan 8.270 nan 0.000 0.438 15 G N 1.610 109.341 108.800 -1.782 0.000 3.159 15 G HA2 -0.105 3.833 3.960 -0.036 0.000 0.232 15 G HA3 -0.105 3.833 3.960 -0.036 0.000 0.232 15 G C 0.540 175.171 174.900 -0.448 0.000 1.116 15 G CA -0.208 44.406 45.100 -0.810 0.000 0.767 15 G HN 0.691 nan 8.290 nan 0.000 0.547 16 D N 0.234 120.324 120.400 -0.516 0.000 2.367 16 D HA 0.032 4.650 4.640 -0.036 0.000 0.207 16 D C 0.982 177.241 176.300 -0.069 0.000 1.034 16 D CA -0.160 53.793 54.000 -0.078 0.000 0.861 16 D CB 0.370 41.254 40.800 0.140 0.000 0.943 16 D HN 0.479 nan 8.370 nan 0.000 0.515 17 R N -0.398 120.006 120.500 -0.160 0.000 2.629 17 R HA 0.489 4.807 4.340 -0.036 0.000 0.266 17 R C -1.557 174.631 176.300 -0.187 0.000 1.051 17 R CA -0.921 55.107 56.100 -0.119 0.000 0.895 17 R CB 0.911 31.160 30.300 -0.085 0.000 1.246 17 R HN -0.010 nan 8.270 nan 0.000 0.459 18 I N 3.078 123.509 120.570 -0.232 0.000 2.395 18 I HA 0.320 4.468 4.170 -0.036 0.000 0.289 18 I C -1.934 174.061 176.117 -0.202 0.000 1.023 18 I CA -2.209 58.900 61.300 -0.317 0.000 1.350 18 I CB 1.625 39.224 38.000 -0.668 0.000 1.409 18 I HN 0.559 nan 8.210 nan 0.000 0.507 19 P HA 0.089 nan 4.420 nan 0.000 0.268 19 P C -0.214 177.006 177.300 -0.134 0.000 1.205 19 P CA -0.090 62.934 63.100 -0.126 0.000 0.771 19 P CB 0.511 32.144 31.700 -0.113 0.000 0.858 20 D N 1.946 122.280 120.400 -0.111 0.000 2.221 20 D HA -0.160 4.458 4.640 -0.036 0.000 0.204 20 D C 1.918 178.152 176.300 -0.111 0.000 0.982 20 D CA 1.604 55.550 54.000 -0.090 0.000 0.857 20 D CB -0.453 40.307 40.800 -0.067 0.000 0.934 20 D HN 0.397 nan 8.370 nan 0.000 0.475 21 A N 0.505 123.224 122.820 -0.168 0.000 1.948 21 A HA -0.214 4.084 4.320 -0.036 0.000 0.220 21 A C 2.511 179.960 177.584 -0.226 0.000 1.177 21 A CA 1.512 53.401 52.037 -0.246 0.000 0.636 21 A CB -0.803 17.940 19.000 -0.429 0.000 0.815 21 A HN 0.180 nan 8.150 nan 0.000 0.449 22 V N -0.344 119.465 119.914 -0.175 0.000 2.287 22 V HA -0.283 3.816 4.120 -0.036 0.000 0.248 22 V C 3.038 179.119 176.094 -0.020 0.000 1.053 22 V CA 2.117 64.379 62.300 -0.063 0.000 1.027 22 V CB -1.264 30.547 31.823 -0.021 0.000 0.646 22 V HN 0.643 nan 8.190 nan 0.000 0.447 23 A N -0.297 122.510 122.820 -0.023 0.000 1.969 23 A HA -0.161 4.138 4.320 -0.036 0.000 0.218 23 A C 2.280 179.866 177.584 0.004 0.000 1.169 23 A CA 1.735 53.782 52.037 0.016 0.000 0.635 23 A CB -0.409 18.606 19.000 0.025 0.000 0.810 23 A HN 0.544 nan 8.150 nan 0.000 0.445 24 E N -0.797 119.385 120.200 -0.030 0.000 2.072 24 E HA -0.129 4.199 4.350 -0.036 0.000 0.191 24 E C 2.060 178.648 176.600 -0.019 0.000 0.985 24 E CA 1.078 57.460 56.400 -0.030 0.000 0.801 24 E CB -0.697 28.969 29.700 -0.058 0.000 0.750 24 E HN 0.567 nan 8.360 nan 0.000 0.452 25 L N 0.962 122.166 121.223 -0.031 0.000 2.027 25 L HA -0.011 4.308 4.340 -0.036 0.000 0.206 25 L C 2.524 179.416 176.870 0.037 0.000 1.074 25 L CA 1.927 56.768 54.840 0.002 0.000 0.745 25 L CB -0.547 41.515 42.059 0.005 0.000 0.898 25 L HN 0.069 nan 8.230 nan 0.000 0.433 26 R N -1.498 119.029 120.500 0.046 0.000 2.105 26 R HA -0.161 4.158 4.340 -0.036 0.000 0.239 26 R C 1.956 178.286 176.300 0.050 0.000 1.135 26 R CA 1.967 58.104 56.100 0.062 0.000 0.967 26 R CB -0.270 30.078 30.300 0.080 0.000 0.861 26 R HN 0.381 nan 8.270 nan 0.000 0.442 27 T N -0.100 114.477 114.554 0.038 0.000 2.770 27 T HA -0.077 4.251 4.350 -0.036 0.000 0.263 27 T C 2.240 176.957 174.700 0.027 0.000 1.039 27 T CA 1.919 64.038 62.100 0.032 0.000 1.142 27 T CB -0.177 68.705 68.868 0.024 0.000 0.868 27 T HN 0.475 nan 8.240 nan 0.000 0.435 28 R N 1.124 121.639 120.500 0.024 0.000 2.080 28 R HA 0.272 4.591 4.340 -0.036 0.000 0.222 28 R C 1.194 177.514 176.300 0.033 0.000 1.107 28 R CA 0.937 57.051 56.100 0.023 0.000 0.980 28 R CB -0.281 30.029 30.300 0.016 0.000 0.879 28 R HN 0.483 nan 8.270 nan 0.000 0.439 29 E N -0.413 119.813 120.200 0.043 0.000 3.079 29 E HA 0.158 4.486 4.350 -0.036 0.000 0.329 29 E C -2.346 174.296 176.600 0.070 0.000 1.166 29 E CA -1.323 55.113 56.400 0.059 0.000 0.876 29 E CB 2.081 31.826 29.700 0.074 0.000 1.479 29 E HN 0.206 nan 8.360 nan 0.000 0.384 30 P HA -0.044 nan 4.420 nan 0.000 0.234 30 P C 0.396 177.730 177.300 0.057 0.000 1.167 30 P CA 0.731 63.865 63.100 0.057 0.000 0.763 30 P CB 0.588 32.313 31.700 0.042 0.000 0.835 31 I N 0.033 120.641 120.570 0.063 0.000 2.478 31 I HA 0.506 4.654 4.170 -0.036 0.000 0.287 31 I C -1.022 175.219 176.117 0.207 0.000 1.042 31 I CA -1.276 60.082 61.300 0.097 0.000 1.067 31 I CB 1.464 39.453 38.000 -0.019 0.000 1.233 31 I HN -0.202 nan 8.210 nan 0.000 0.431 32 R N 5.410 126.108 120.500 0.330 0.000 2.710 32 R HA 0.479 4.797 4.340 -0.036 0.000 0.270 32 R C -1.738 174.754 176.300 0.320 0.000 1.021 32 R CA -1.019 55.306 56.100 0.375 0.000 0.889 32 R CB 1.097 31.521 30.300 0.206 0.000 1.243 32 R HN 0.448 nan 8.270 nan 0.000 0.464 33 K N 1.492 121.954 120.400 0.104 0.000 2.298 33 K HA 0.425 4.724 4.320 -0.036 0.000 0.280 33 K C -0.521 175.997 176.600 -0.136 0.000 1.032 33 K CA -0.354 55.746 56.287 -0.311 0.000 0.958 33 K CB 0.941 33.161 32.500 -0.467 0.000 0.978 33 K HN 0.554 nan 8.250 nan 0.000 0.472 34 V N 0.602 120.409 119.914 -0.177 0.000 3.159 34 V HA 0.600 4.698 4.120 -0.036 0.000 0.308 34 V C -1.123 174.896 176.094 -0.124 0.000 1.190 34 V CA -1.266 60.981 62.300 -0.088 0.000 1.037 34 V CB 1.795 33.592 31.823 -0.043 0.000 1.060 34 V HN 0.849 nan 8.190 nan 0.000 0.437 35 R N 1.213 121.665 120.500 -0.081 0.000 2.393 35 R HA 0.678 4.996 4.340 -0.036 0.000 0.310 35 R C 0.174 176.430 176.300 -0.073 0.000 0.968 35 R CA 0.237 56.289 56.100 -0.081 0.000 0.867 35 R CB 1.768 32.033 30.300 -0.059 0.000 1.124 35 R HN 1.174 nan 8.270 nan 0.000 0.450 36 T N 0.844 115.352 114.554 -0.077 0.000 2.810 36 T HA 0.179 4.508 4.350 -0.036 0.000 0.277 36 T C 1.768 176.436 174.700 -0.054 0.000 0.973 36 T CA -0.644 61.413 62.100 -0.072 0.000 0.949 36 T CB 0.573 69.399 68.868 -0.071 0.000 1.075 36 T HN 0.672 nan 8.240 nan 0.000 0.537 37 I N -1.113 119.427 120.570 -0.049 0.000 2.700 37 I HA -0.015 4.134 4.170 -0.036 0.000 0.261 37 I C 2.176 178.273 176.117 -0.033 0.000 1.219 37 I CA 1.414 62.693 61.300 -0.036 0.000 1.463 37 I CB -1.145 36.838 38.000 -0.029 0.000 1.092 37 I HN 0.822 nan 8.210 nan 0.000 0.452 38 T N -2.112 112.419 114.554 -0.039 0.000 3.113 38 T HA 0.355 4.683 4.350 -0.036 0.000 0.256 38 T C 1.671 176.350 174.700 -0.035 0.000 1.131 38 T CA 0.543 62.621 62.100 -0.036 0.000 1.074 38 T CB 0.023 68.867 68.868 -0.040 0.000 0.944 38 T HN 0.747 nan 8.240 nan 0.000 0.516 39 G N 1.118 109.894 108.800 -0.039 0.000 2.195 39 G HA2 -0.076 3.862 3.960 -0.036 0.000 0.246 39 G HA3 -0.076 3.862 3.960 -0.036 0.000 0.246 39 G C 0.376 175.246 174.900 -0.051 0.000 0.984 39 G CA -0.064 45.012 45.100 -0.040 0.000 0.633 39 G HN 1.209 nan 8.290 nan 0.000 0.525 40 A N 0.206 122.993 122.820 -0.055 0.000 2.425 40 A HA 0.582 4.880 4.320 -0.036 0.000 0.242 40 A C 0.477 178.005 177.584 -0.093 0.000 1.077 40 A CA 0.458 52.455 52.037 -0.066 0.000 0.781 40 A CB 0.259 19.224 19.000 -0.058 0.000 1.020 40 A HN 0.541 nan 8.150 nan 0.000 0.494 41 E N -0.205 119.923 120.200 -0.120 0.000 2.319 41 E HA 0.564 4.892 4.350 -0.036 0.000 0.268 41 E C -0.079 176.385 176.600 -0.225 0.000 1.050 41 E CA -0.043 56.241 56.400 -0.193 0.000 0.878 41 E CB 1.489 31.048 29.700 -0.236 0.000 1.066 41 E HN 0.839 nan 8.360 nan 0.000 0.406 42 A N 2.020 124.657 122.820 -0.306 0.000 2.609 42 A HA 0.514 4.812 4.320 -0.036 0.000 0.291 42 A C -2.081 175.265 177.584 -0.396 0.000 1.096 42 A CA -0.827 51.052 52.037 -0.263 0.000 0.684 42 A CB 0.801 19.732 19.000 -0.114 0.000 1.282 42 A HN 0.614 nan 8.150 nan 0.000 0.412 43 W N 1.073 122.368 121.300 -0.008 0.000 2.349 43 W HA 0.549 5.202 4.660 -0.011 0.000 0.309 43 W C -0.083 176.417 176.519 -0.032 0.000 1.083 43 W CA -0.401 56.937 57.345 -0.011 0.000 1.224 43 W CB 1.542 30.996 29.460 -0.010 0.000 1.256 43 W HN 0.470 nan 8.180 nan 0.000 0.461 44 L N 5.892 127.236 121.223 0.202 0.000 2.264 44 L HA 0.540 4.859 4.340 -0.036 0.000 0.289 44 L C -0.822 176.120 176.870 0.120 0.000 1.044 44 L CA -0.545 54.359 54.840 0.107 0.000 0.807 44 L CB 0.827 42.934 42.059 0.080 0.000 1.192 44 L HN 0.160 nan 8.230 nan 0.000 0.425 45 V N 5.054 125.002 119.914 0.057 0.000 2.398 45 V HA 0.409 4.507 4.120 -0.036 0.000 0.286 45 V C 0.749 176.859 176.094 0.027 0.000 1.026 45 V CA -0.085 62.228 62.300 0.022 0.000 0.868 45 V CB 1.412 33.202 31.823 -0.055 0.000 0.982 45 V HN 0.927 nan 8.190 nan 0.000 0.443 46 S N 0.933 116.662 115.700 0.049 0.000 2.893 46 S HA 0.174 4.622 4.470 -0.036 0.000 0.258 46 S C 0.454 175.105 174.600 0.085 0.000 1.034 46 S CA 0.096 58.342 58.200 0.076 0.000 1.167 46 S CB 0.359 63.626 63.200 0.111 0.000 1.137 46 S HN 0.805 nan 8.310 nan 0.000 0.650 47 S N 0.396 116.134 115.700 0.063 0.000 2.608 47 S HA 0.556 5.004 4.470 -0.036 0.000 0.291 47 S C 0.516 175.166 174.600 0.083 0.000 1.146 47 S CA -0.672 57.582 58.200 0.090 0.000 1.043 47 S CB 0.889 64.133 63.200 0.073 0.000 1.037 47 S HN 0.231 nan 8.310 nan 0.000 0.520 48 Y N 2.543 122.844 120.300 0.002 0.000 2.128 48 Y HA -0.145 4.384 4.550 -0.035 0.000 0.284 48 Y C 2.505 178.355 175.900 -0.083 0.000 1.154 48 Y CA 2.375 60.438 58.100 -0.062 0.000 1.149 48 Y CB -0.921 37.451 38.460 -0.146 0.000 0.976 48 Y HN 0.898 nan 8.280 nan 0.000 0.505 49 A N 0.099 123.002 122.820 0.137 0.000 1.883 49 A HA -0.176 4.122 4.320 -0.036 0.000 0.217 49 A C 2.274 179.835 177.584 -0.038 0.000 1.186 49 A CA 2.021 54.096 52.037 0.063 0.000 0.624 49 A CB -1.095 17.951 19.000 0.076 0.000 0.822 49 A HN 0.548 nan 8.150 nan 0.000 0.444 50 L N -1.149 120.050 121.223 -0.041 0.000 2.131 50 L HA -0.154 4.165 4.340 -0.036 0.000 0.206 50 L C 2.694 179.486 176.870 -0.130 0.000 1.087 50 L CA 0.748 55.543 54.840 -0.075 0.000 0.767 50 L CB -0.706 41.317 42.059 -0.059 0.000 0.917 50 L HN 0.473 nan 8.230 nan 0.000 0.441 51 C N -0.124 119.091 119.300 -0.142 0.000 2.413 51 C HA -0.179 4.260 4.460 -0.036 0.000 0.276 51 C C 2.976 177.836 174.990 -0.217 0.000 1.236 51 C CA 1.595 60.505 59.018 -0.180 0.000 1.735 51 C CB -0.863 26.769 27.740 -0.180 0.000 2.031 51 C HN 0.528 nan 8.230 nan 0.000 0.474 52 T N 0.014 114.392 114.554 -0.294 0.000 2.746 52 T HA -0.259 4.070 4.350 -0.036 0.000 0.267 52 T C 1.836 176.461 174.700 -0.126 0.000 1.039 52 T CA 1.647 63.595 62.100 -0.253 0.000 1.142 52 T CB -0.429 68.250 68.868 -0.314 0.000 0.866 52 T HN 0.668 nan 8.240 nan 0.000 0.444 53 Q N 0.494 120.235 119.800 -0.099 0.000 2.061 53 Q HA -0.145 4.174 4.340 -0.036 0.000 0.204 53 Q C 2.341 178.333 176.000 -0.014 0.000 0.984 53 Q CA 1.566 57.347 55.803 -0.037 0.000 0.846 53 Q CB -0.235 28.487 28.738 -0.027 0.000 0.902 53 Q HN 0.385 nan 8.270 nan 0.000 0.421 54 V N 0.942 120.776 119.914 -0.133 0.000 2.307 54 V HA -0.251 3.848 4.120 -0.036 0.000 0.245 54 V C 2.329 178.400 176.094 -0.038 0.000 1.045 54 V CA 1.414 63.564 62.300 -0.251 0.000 1.024 54 V CB -0.439 31.059 31.823 -0.542 0.000 0.651 54 V HN 0.391 nan 8.190 nan 0.000 0.449 55 L N -0.356 120.836 121.223 -0.052 0.000 2.201 55 L HA -0.109 4.209 4.340 -0.036 0.000 0.212 55 L C 2.164 179.068 176.870 0.056 0.000 1.105 55 L CA 1.321 56.169 54.840 0.013 0.000 0.775 55 L CB -0.421 41.628 42.059 -0.017 0.000 0.913 55 L HN 0.401 nan 8.230 nan 0.000 0.440 56 E N -0.830 119.393 120.200 0.038 0.000 2.465 56 E HA -0.046 4.282 4.350 -0.036 0.000 0.191 56 E C -0.130 176.513 176.600 0.072 0.000 1.053 56 E CA -0.092 56.333 56.400 0.042 0.000 0.869 56 E CB 0.260 29.967 29.700 0.011 0.000 0.977 56 E HN 0.170 nan 8.360 nan 0.000 0.483 57 D N 0.396 120.881 120.400 0.142 0.000 2.453 57 D HA 0.127 4.745 4.640 -0.036 0.000 0.238 57 D C 0.517 176.916 176.300 0.165 0.000 1.088 57 D CA -0.400 53.694 54.000 0.157 0.000 0.854 57 D CB 0.599 41.544 40.800 0.241 0.000 1.076 57 D HN -0.149 nan 8.370 nan 0.000 0.533 58 R N 2.088 122.637 120.500 0.081 0.000 2.285 58 R HA 0.024 4.342 4.340 -0.036 0.000 0.213 58 R C 1.560 177.882 176.300 0.037 0.000 1.068 58 R CA 0.589 56.736 56.100 0.079 0.000 1.004 58 R CB 0.300 30.624 30.300 0.040 0.000 0.873 58 R HN 0.329 nan 8.270 nan 0.000 0.467 59 R N -0.233 120.233 120.500 -0.056 0.000 2.237 59 R HA -0.034 4.284 4.340 -0.036 0.000 0.219 59 R C -0.134 176.007 176.300 -0.264 0.000 1.080 59 R CA 0.560 56.553 56.100 -0.178 0.000 0.995 59 R CB 0.050 30.183 30.300 -0.278 0.000 0.875 59 R HN 0.017 nan 8.270 nan 0.000 0.462 60 F N 0.903 120.868 119.950 0.025 0.000 2.423 60 F HA 0.140 4.642 4.527 -0.041 0.000 0.356 60 F C 0.598 176.426 175.800 0.047 0.000 1.170 60 F CA -0.361 57.658 58.000 0.031 0.000 1.163 60 F CB 0.922 39.938 39.000 0.025 0.000 1.318 60 F HN -0.211 nan 8.300 nan 0.000 0.569 61 S N 4.876 120.679 115.700 0.171 0.000 2.480 61 S HA 0.272 4.721 4.470 -0.036 0.000 0.286 61 S C 1.158 175.814 174.600 0.093 0.000 1.180 61 S CA -0.789 57.486 58.200 0.126 0.000 1.075 61 S CB 0.819 64.063 63.200 0.073 0.000 0.996 61 S HN 0.836 nan 8.310 nan 0.000 0.487 62 M N 5.020 124.659 119.600 0.064 0.000 2.123 62 M HA -0.011 4.447 4.480 -0.036 0.000 0.263 62 M C 2.098 178.372 176.300 -0.042 0.000 1.069 62 M CA 1.706 56.962 55.300 -0.074 0.000 1.133 62 M CB -0.411 31.950 32.600 -0.398 0.000 1.356 62 M HN 0.833 nan 8.290 nan 0.000 0.415 63 K N 0.135 120.539 120.400 0.007 0.000 2.044 63 K HA -0.205 4.093 4.320 -0.036 0.000 0.210 63 K C 1.505 178.107 176.600 0.004 0.000 1.049 63 K CA 1.903 58.197 56.287 0.012 0.000 0.927 63 K CB -0.100 32.428 32.500 0.047 0.000 0.713 63 K HN 0.363 nan 8.250 nan 0.000 0.443 64 E N 0.132 120.342 120.200 0.017 0.000 2.418 64 E HA -0.086 4.243 4.350 -0.036 0.000 0.197 64 E C 1.826 178.430 176.600 0.006 0.000 1.026 64 E CA 1.304 57.712 56.400 0.013 0.000 0.862 64 E CB -0.130 29.582 29.700 0.021 0.000 0.799 64 E HN 0.609 nan 8.360 nan 0.000 0.518 65 T N -1.408 113.146 114.554 0.000 0.000 2.897 65 T HA -0.054 4.274 4.350 -0.036 0.000 0.271 65 T C 1.821 176.505 174.700 -0.026 0.000 1.084 65 T CA 1.144 63.238 62.100 -0.010 0.000 1.123 65 T CB -0.071 68.785 68.868 -0.021 0.000 0.865 65 T HN 0.110 nan 8.240 nan 0.000 0.496 66 A N 0.998 123.799 122.820 -0.032 0.000 2.251 66 A HA 0.720 5.018 4.320 -0.036 0.000 0.209 66 A C 1.423 178.987 177.584 -0.034 0.000 1.187 66 A CA 0.169 52.179 52.037 -0.044 0.000 0.823 66 A CB -0.741 18.228 19.000 -0.052 0.000 0.846 66 A HN 0.792 nan 8.150 nan 0.000 0.486 67 A N 0.479 123.286 122.820 -0.021 0.000 2.511 67 A HA 0.525 4.823 4.320 -0.036 0.000 0.242 67 A C 0.865 178.437 177.584 -0.019 0.000 1.069 67 A CA 0.207 52.235 52.037 -0.016 0.000 0.763 67 A CB -0.286 18.710 19.000 -0.007 0.000 1.001 67 A HN 1.345 nan 8.150 nan 0.000 0.498 68 A N 1.832 124.641 122.820 -0.019 0.000 2.540 68 A HA 0.480 4.778 4.320 -0.036 0.000 0.239 68 A C 1.665 179.240 177.584 -0.015 0.000 1.061 68 A CA 0.775 52.800 52.037 -0.020 0.000 0.758 68 A CB -0.627 18.362 19.000 -0.018 0.000 0.991 68 A HN 2.762 nan 8.150 nan 0.000 0.502 69 G N 0.567 109.357 108.800 -0.017 0.000 2.179 69 G HA2 0.123 4.061 3.960 -0.036 0.000 0.260 69 G HA3 0.123 4.061 3.960 -0.036 0.000 0.260 69 G C 0.645 175.538 174.900 -0.011 0.000 0.977 69 G CA 0.580 45.672 45.100 -0.013 0.000 0.641 69 G HN 2.204 nan 8.290 nan 0.000 0.533 70 A N 1.117 123.930 122.820 -0.012 0.000 2.386 70 A HA 0.656 4.955 4.320 -0.036 0.000 0.248 70 A C -1.138 176.438 177.584 -0.013 0.000 1.082 70 A CA -0.396 51.637 52.037 -0.007 0.000 0.789 70 A CB 0.162 19.160 19.000 -0.005 0.000 1.025 70 A HN 0.318 nan 8.150 nan 0.000 0.490 71 P HA 0.213 nan 4.420 nan 0.000 0.267 71 P C -0.824 176.461 177.300 -0.025 0.000 1.205 71 P CA 0.264 63.351 63.100 -0.022 0.000 0.765 71 P CB 0.469 32.154 31.700 -0.024 0.000 0.828 72 R N 2.221 122.701 120.500 -0.035 0.000 2.562 72 R HA 0.255 4.573 4.340 -0.036 0.000 0.298 72 R C 1.077 177.350 176.300 -0.046 0.000 0.961 72 R CA -0.968 55.108 56.100 -0.039 0.000 0.881 72 R CB 1.721 31.995 30.300 -0.043 0.000 1.159 72 R HN 0.311 nan 8.270 nan 0.000 0.450 73 L N 2.805 124.000 121.223 -0.046 0.000 2.017 73 L HA -0.088 4.231 4.340 -0.036 0.000 0.208 73 L C 0.263 177.100 176.870 -0.055 0.000 1.073 73 L CA 1.873 56.682 54.840 -0.053 0.000 0.745 73 L CB -0.287 41.742 42.059 -0.049 0.000 0.894 73 L HN 0.839 nan 8.230 nan 0.000 0.432 74 N N -2.444 116.221 118.700 -0.058 0.000 3.020 74 N HA 0.458 5.177 4.740 -0.036 0.000 0.248 74 N C -1.122 174.347 175.510 -0.069 0.000 1.480 74 N CA -0.438 52.576 53.050 -0.061 0.000 0.874 74 N CB 1.067 39.514 38.487 -0.066 0.000 1.433 74 N HN 0.094 nan 8.380 nan 0.000 0.530 75 A N 0.738 123.515 122.820 -0.071 0.000 2.371 75 A HA 0.411 4.709 4.320 -0.036 0.000 0.257 75 A C 0.426 177.945 177.584 -0.108 0.000 1.089 75 A CA -0.509 51.480 52.037 -0.079 0.000 0.794 75 A CB -0.051 18.907 19.000 -0.070 0.000 1.029 75 A HN 0.552 nan 8.150 nan 0.000 0.488 76 L N 1.434 122.586 121.223 -0.118 0.000 2.490 76 L HA 0.112 4.430 4.340 -0.036 0.000 0.274 76 L C 1.628 178.383 176.870 -0.191 0.000 1.201 76 L CA 0.611 55.354 54.840 -0.161 0.000 0.869 76 L CB 0.562 42.526 42.059 -0.159 0.000 1.123 76 L HN 0.977 nan 8.230 nan 0.000 0.484 77 T N -1.127 113.275 114.554 -0.254 0.000 3.044 77 T HA 0.308 4.636 4.350 -0.036 0.000 0.260 77 T C 0.075 174.522 174.700 -0.422 0.000 1.019 77 T CA -0.041 61.888 62.100 -0.285 0.000 0.921 77 T CB 0.017 68.707 68.868 -0.298 0.000 1.053 77 T HN 0.367 nan 8.240 nan 0.000 0.533 78 V N -2.801 116.811 119.914 -0.503 0.000 3.141 78 V HA 0.799 4.898 4.120 -0.036 0.000 0.312 78 V C -3.212 172.534 176.094 -0.580 0.000 1.157 78 V CA -3.246 58.558 62.300 -0.826 0.000 1.041 78 V CB 1.337 32.627 31.823 -0.889 0.000 1.071 78 V HN -0.176 nan 8.190 nan 0.000 0.441 79 P HA 0.242 nan 4.420 nan 0.000 0.267 79 P C -2.081 175.096 177.300 -0.206 0.000 1.200 79 P CA -1.116 61.810 63.100 -0.290 0.000 0.772 79 P CB 0.097 31.697 31.700 -0.167 0.000 0.855 80 P HA -0.218 nan 4.420 nan 0.000 0.218 80 P C 1.177 178.436 177.300 -0.069 0.000 1.148 80 P CA 1.581 64.621 63.100 -0.099 0.000 0.822 80 P CB -0.060 31.599 31.700 -0.068 0.000 0.784 81 E N 0.517 120.690 120.200 -0.044 0.000 2.204 81 E HA -0.092 4.237 4.350 -0.036 0.000 0.195 81 E C 1.889 178.486 176.600 -0.004 0.000 0.990 81 E CA 1.042 57.436 56.400 -0.011 0.000 0.821 81 E CB -1.537 28.170 29.700 0.012 0.000 0.750 81 E HN 0.126 nan 8.360 nan 0.000 0.477 82 V N 1.639 121.534 119.914 -0.032 0.000 2.759 82 V HA -0.165 3.933 4.120 -0.036 0.000 0.256 82 V C 2.602 178.678 176.094 -0.030 0.000 1.080 82 V CA 1.069 63.362 62.300 -0.012 0.000 1.101 82 V CB -0.266 31.518 31.823 -0.065 0.000 0.698 82 V HN 0.103 nan 8.190 nan 0.000 0.477 83 V N 0.667 120.541 119.914 -0.067 0.000 2.469 83 V HA -0.224 3.874 4.120 -0.036 0.000 0.251 83 V C 1.918 177.996 176.094 -0.026 0.000 1.064 83 V CA 2.175 64.437 62.300 -0.064 0.000 1.066 83 V CB -0.795 30.981 31.823 -0.079 0.000 0.667 83 V HN 0.650 nan 8.190 nan 0.000 0.461 84 N N 0.322 119.027 118.700 0.009 0.000 2.346 84 N HA 0.003 4.721 4.740 -0.036 0.000 0.225 84 N C 1.268 176.830 175.510 0.087 0.000 1.144 84 N CA 0.092 53.174 53.050 0.053 0.000 0.837 84 N CB -0.521 37.996 38.487 0.050 0.000 1.069 84 N HN 0.387 nan 8.380 nan 0.000 0.487 85 N N 0.609 119.364 118.700 0.092 0.000 2.037 85 N HA -0.234 4.484 4.740 -0.036 0.000 0.196 85 N C 1.481 177.091 175.510 0.167 0.000 1.034 85 N CA 1.503 54.636 53.050 0.138 0.000 0.861 85 N CB -0.129 38.456 38.487 0.164 0.000 1.039 85 N HN 0.283 nan 8.380 nan 0.000 0.427 86 M N 0.090 119.803 119.600 0.188 0.000 2.117 86 M HA 0.087 4.545 4.480 -0.036 0.000 0.262 86 M C 1.942 178.336 176.300 0.156 0.000 1.065 86 M CA 1.817 57.243 55.300 0.211 0.000 1.114 86 M CB -1.194 31.554 32.600 0.246 0.000 1.361 86 M HN 0.218 nan 8.290 nan 0.000 0.408 87 G N 0.116 109.005 108.800 0.148 0.000 2.469 87 G HA2 -0.288 3.650 3.960 -0.036 0.000 0.219 87 G HA3 -0.288 3.650 3.960 -0.036 0.000 0.219 87 G C 1.461 176.407 174.900 0.077 0.000 1.150 87 G CA 1.217 46.379 45.100 0.102 0.000 0.763 87 G HN 0.509 nan 8.290 nan 0.000 0.561 88 N N 0.679 119.427 118.700 0.079 0.000 2.142 88 N HA -0.037 4.681 4.740 -0.036 0.000 0.186 88 N C 2.256 177.790 175.510 0.040 0.000 1.023 88 N CA 0.824 53.906 53.050 0.053 0.000 0.852 88 N CB -0.306 38.213 38.487 0.055 0.000 0.998 88 N HN 0.368 nan 8.380 nan 0.000 0.424 89 I N 1.154 121.763 120.570 0.064 0.000 2.163 89 I HA -0.254 3.894 4.170 -0.036 0.000 0.243 89 I C 2.319 178.466 176.117 0.050 0.000 1.085 89 I CA 1.167 62.495 61.300 0.046 0.000 1.347 89 I CB -0.331 37.722 38.000 0.088 0.000 1.044 89 I HN 0.068 nan 8.210 nan 0.000 0.408 90 A N 0.432 123.292 122.820 0.066 0.000 1.902 90 A HA -0.237 4.062 4.320 -0.036 0.000 0.217 90 A C 1.930 179.543 177.584 0.047 0.000 1.181 90 A CA 2.051 54.123 52.037 0.058 0.000 0.623 90 A CB -0.607 18.426 19.000 0.055 0.000 0.818 90 A HN 0.349 nan 8.150 nan 0.000 0.443 91 D N 0.098 120.522 120.400 0.040 0.000 2.178 91 D HA -0.039 4.579 4.640 -0.036 0.000 0.201 91 D C 1.892 178.210 176.300 0.030 0.000 0.980 91 D CA 1.443 55.461 54.000 0.029 0.000 0.842 91 D CB -0.288 40.527 40.800 0.025 0.000 0.948 91 D HN 0.450 nan 8.370 nan 0.000 0.472 92 A N -0.451 122.389 122.820 0.034 0.000 2.238 92 A HA 0.407 4.705 4.320 -0.036 0.000 0.208 92 A C 1.722 179.386 177.584 0.133 0.000 1.177 92 A CA 0.989 53.056 52.037 0.049 0.000 0.804 92 A CB -0.198 18.791 19.000 -0.018 0.000 0.823 92 A HN 0.236 nan 8.150 nan 0.000 0.482 93 G N -1.296 107.573 108.800 0.115 0.000 2.136 93 G HA2 -0.230 3.709 3.960 -0.036 0.000 0.242 93 G HA3 -0.230 3.709 3.960 -0.036 0.000 0.242 93 G C 0.516 175.564 174.900 0.245 0.000 0.989 93 G CA 0.469 45.666 45.100 0.162 0.000 0.682 93 G HN 0.501 nan 8.290 nan 0.000 0.522 94 L N -0.835 120.480 121.223 0.153 0.000 2.640 94 L HA 0.326 4.644 4.340 -0.036 0.000 0.230 94 L C 2.526 179.421 176.870 0.041 0.000 1.123 94 L CA 0.368 55.259 54.840 0.084 0.000 0.900 94 L CB 0.007 42.070 42.059 0.008 0.000 1.146 94 L HN 0.284 nan 8.230 nan 0.000 0.484 95 R N 0.930 121.465 120.500 0.058 0.000 2.073 95 R HA -0.159 4.160 4.340 -0.036 0.000 0.234 95 R C 2.149 178.474 176.300 0.042 0.000 1.134 95 R CA 1.541 57.672 56.100 0.053 0.000 0.952 95 R CB 0.089 30.428 30.300 0.065 0.000 0.850 95 R HN 0.192 nan 8.270 nan 0.000 0.433 96 K N -0.272 120.156 120.400 0.046 0.000 2.026 96 K HA -0.127 4.172 4.320 -0.036 0.000 0.208 96 K C 2.097 178.709 176.600 0.020 0.000 1.048 96 K CA 1.453 57.762 56.287 0.037 0.000 0.929 96 K CB -0.171 32.354 32.500 0.042 0.000 0.713 96 K HN 0.255 nan 8.250 nan 0.000 0.439 97 A N 1.035 123.862 122.820 0.012 0.000 1.898 97 A HA -0.105 4.194 4.320 -0.036 0.000 0.216 97 A C 2.395 179.952 177.584 -0.045 0.000 1.181 97 A CA 1.275 53.301 52.037 -0.018 0.000 0.620 97 A CB -0.605 18.372 19.000 -0.038 0.000 0.819 97 A HN 0.063 nan 8.150 nan 0.000 0.442 98 V N -0.108 119.767 119.914 -0.066 0.000 2.261 98 V HA -0.329 3.770 4.120 -0.036 0.000 0.246 98 V C 2.660 178.708 176.094 -0.077 0.000 1.047 98 V CA 2.396 64.610 62.300 -0.143 0.000 1.015 98 V CB -0.679 31.000 31.823 -0.240 0.000 0.642 98 V HN 0.583 nan 8.190 nan 0.000 0.446 99 M N -0.551 119.048 119.600 -0.002 0.000 2.159 99 M HA -0.205 4.253 4.480 -0.036 0.000 0.263 99 M C 2.296 178.615 176.300 0.032 0.000 1.063 99 M CA 1.819 57.150 55.300 0.051 0.000 1.110 99 M CB -0.440 32.204 32.600 0.075 0.000 1.374 99 M HN 0.235 nan 8.290 nan 0.000 0.411 100 K N 0.670 121.077 120.400 0.012 0.000 2.097 100 K HA -0.118 4.180 4.320 -0.036 0.000 0.206 100 K C 1.782 178.382 176.600 -0.001 0.000 1.049 100 K CA 1.455 57.746 56.287 0.007 0.000 0.933 100 K CB -0.059 32.443 32.500 0.002 0.000 0.717 100 K HN 0.292 nan 8.250 nan 0.000 0.442 101 A N 1.205 124.016 122.820 -0.015 0.000 2.119 101 A HA 0.006 4.304 4.320 -0.036 0.000 0.217 101 A C 1.699 179.281 177.584 -0.003 0.000 1.153 101 A CA 0.961 52.985 52.037 -0.021 0.000 0.692 101 A CB -0.516 18.458 19.000 -0.043 0.000 0.799 101 A HN 0.565 nan 8.150 nan 0.000 0.458 102 I N -2.402 118.181 120.570 0.022 0.000 3.877 102 I HA 0.221 4.369 4.170 -0.036 0.000 0.332 102 I C 0.500 176.642 176.117 0.042 0.000 1.525 102 I CA -0.053 61.278 61.300 0.052 0.000 1.146 102 I CB -0.150 37.937 38.000 0.144 0.000 1.137 102 I HN 0.073 nan 8.210 nan 0.000 0.424 103 T N -0.944 113.626 114.554 0.026 0.000 2.849 103 T HA 0.377 4.705 4.350 -0.036 0.000 0.284 103 T C -1.526 173.184 174.700 0.016 0.000 1.004 103 T CA -1.456 60.657 62.100 0.022 0.000 1.021 103 T CB 0.790 69.669 68.868 0.019 0.000 1.013 103 T HN 0.070 nan 8.240 nan 0.000 0.527 104 P HA 0.206 nan 4.420 nan 0.000 0.256 104 P C 0.717 178.033 177.300 0.027 0.000 1.335 104 P CA 0.166 63.283 63.100 0.029 0.000 0.808 104 P CB -0.500 31.227 31.700 0.044 0.000 1.305 105 K N -0.359 120.052 120.400 0.019 0.000 2.361 105 K HA 0.449 4.747 4.320 -0.036 0.000 0.194 105 K C 1.235 177.843 176.600 0.012 0.000 1.032 105 K CA 0.535 56.833 56.287 0.017 0.000 1.048 105 K CB -0.654 31.855 32.500 0.015 0.000 0.842 105 K HN 0.314 nan 8.250 nan 0.000 0.526 106 A N 2.658 125.481 122.820 0.006 0.000 2.546 106 A HA 0.438 4.736 4.320 -0.036 0.000 0.243 106 A C -2.251 175.336 177.584 0.006 0.000 1.063 106 A CA -0.926 51.110 52.037 -0.002 0.000 0.757 106 A CB -0.476 18.514 19.000 -0.015 0.000 0.991 106 A HN 0.300 nan 8.150 nan 0.000 0.503 107 P HA 0.134 nan 4.420 nan 0.000 0.261 107 P C 1.203 178.513 177.300 0.015 0.000 1.165 107 P CA 2.056 65.162 63.100 0.011 0.000 0.759 107 P CB 0.409 32.113 31.700 0.006 0.000 0.772 108 G N 1.971 110.790 108.800 0.032 0.000 2.253 108 G HA2 -0.352 3.586 3.960 -0.036 0.000 0.251 108 G HA3 -0.352 3.586 3.960 -0.036 0.000 0.251 108 G C 0.763 175.716 174.900 0.089 0.000 0.998 108 G CA 0.361 45.493 45.100 0.054 0.000 0.621 108 G HN 0.555 nan 8.290 nan 0.000 0.524 109 L N 1.060 122.321 121.223 0.063 0.000 1.994 109 L HA 0.176 4.494 4.340 -0.036 0.000 0.208 109 L C 2.580 179.542 176.870 0.154 0.000 1.071 109 L CA 3.051 57.945 54.840 0.090 0.000 0.745 109 L CB -0.548 41.534 42.059 0.039 0.000 0.892 109 L HN 0.489 nan 8.230 nan 0.000 0.431 110 E N -1.179 119.081 120.200 0.101 0.000 2.153 110 E HA -0.281 4.047 4.350 -0.036 0.000 0.194 110 E C 2.098 178.750 176.600 0.087 0.000 0.988 110 E CA 1.068 57.522 56.400 0.089 0.000 0.811 110 E CB -0.070 29.666 29.700 0.060 0.000 0.746 110 E HN 0.480 nan 8.360 nan 0.000 0.466 111 Q N 0.454 120.310 119.800 0.093 0.000 2.119 111 Q HA -0.158 4.160 4.340 -0.036 0.000 0.201 111 Q C 1.717 177.771 176.000 0.090 0.000 0.972 111 Q CA 1.188 57.035 55.803 0.074 0.000 0.847 111 Q CB -0.355 28.425 28.738 0.070 0.000 0.903 111 Q HN 0.327 nan 8.270 nan 0.000 0.433 112 F N -0.297 119.659 119.950 0.009 0.000 2.134 112 F HA -0.139 4.366 4.527 -0.037 0.000 0.299 112 F C 1.656 177.461 175.800 0.008 0.000 1.097 112 F CA 1.198 59.203 58.000 0.009 0.000 1.264 112 F CB -0.157 38.849 39.000 0.010 0.000 1.001 112 F HN 0.123 nan 8.300 nan 0.000 0.479 113 L N 0.080 121.337 121.223 0.056 0.000 2.012 113 L HA -0.255 4.064 4.340 -0.036 0.000 0.210 113 L C 2.786 179.579 176.870 -0.127 0.000 1.073 113 L CA 1.779 56.592 54.840 -0.046 0.000 0.748 113 L CB -0.507 41.588 42.059 0.060 0.000 0.891 113 L HN 0.139 nan 8.230 nan 0.000 0.431 114 R N -0.199 120.260 120.500 -0.068 0.000 2.066 114 R HA -0.176 4.142 4.340 -0.036 0.000 0.232 114 R C 1.921 178.165 176.300 -0.092 0.000 1.131 114 R CA 1.811 57.876 56.100 -0.059 0.000 0.955 114 R CB -0.094 30.192 30.300 -0.022 0.000 0.851 114 R HN 0.335 nan 8.270 nan 0.000 0.432 115 D N -0.629 119.698 120.400 -0.123 0.000 2.123 115 D HA -0.137 4.481 4.640 -0.036 0.000 0.196 115 D C 1.724 177.907 176.300 -0.195 0.000 0.992 115 D CA 1.720 55.638 54.000 -0.137 0.000 0.833 115 D CB -0.349 40.372 40.800 -0.131 0.000 0.954 115 D HN 0.258 nan 8.370 nan 0.000 0.455 116 T N 0.551 114.901 114.554 -0.339 0.000 2.737 116 T HA -0.057 4.271 4.350 -0.036 0.000 0.265 116 T C 2.041 176.645 174.700 -0.159 0.000 1.038 116 T CA 1.437 63.332 62.100 -0.343 0.000 1.144 116 T CB -0.343 68.184 68.868 -0.569 0.000 0.866 116 T HN 0.186 nan 8.240 nan 0.000 0.434 117 A N 2.692 125.442 122.820 -0.118 0.000 1.892 117 A HA -0.214 4.084 4.320 -0.036 0.000 0.218 117 A C 2.240 179.873 177.584 0.082 0.000 1.188 117 A CA 1.756 53.827 52.037 0.055 0.000 0.631 117 A CB -0.744 18.296 19.000 0.066 0.000 0.822 117 A HN 0.404 nan 8.150 nan 0.000 0.447 118 N N -0.245 118.447 118.700 -0.013 0.000 2.166 118 N HA -0.110 4.609 4.740 -0.036 0.000 0.186 118 N C 2.028 177.508 175.510 -0.049 0.000 1.019 118 N CA 1.433 54.459 53.050 -0.040 0.000 0.856 118 N CB -0.475 37.983 38.487 -0.048 0.000 0.993 118 N HN 0.493 nan 8.380 nan 0.000 0.426 119 S N 0.784 116.453 115.700 -0.051 0.000 2.356 119 S HA 0.045 4.493 4.470 -0.036 0.000 0.223 119 S C 2.054 176.635 174.600 -0.032 0.000 1.032 119 S CA 0.579 58.751 58.200 -0.046 0.000 1.005 119 S CB -0.205 62.962 63.200 -0.055 0.000 0.867 119 S HN 0.191 nan 8.310 nan 0.000 0.449 120 L N 0.960 122.182 121.223 -0.001 0.000 2.012 120 L HA -0.149 4.169 4.340 -0.036 0.000 0.210 120 L C 2.476 179.337 176.870 -0.015 0.000 1.073 120 L CA 1.323 56.189 54.840 0.044 0.000 0.748 120 L CB -0.624 41.537 42.059 0.171 0.000 0.891 120 L HN 0.343 nan 8.230 nan 0.000 0.431 121 L N -0.637 120.544 121.223 -0.070 0.000 2.017 121 L HA -0.240 4.078 4.340 -0.036 0.000 0.208 121 L C 2.348 179.083 176.870 -0.225 0.000 1.073 121 L CA 1.195 55.877 54.840 -0.262 0.000 0.745 121 L CB -0.705 41.156 42.059 -0.331 0.000 0.894 121 L HN 0.268 nan 8.230 nan 0.000 0.432 122 D N 0.000 120.317 120.400 -0.138 0.000 2.133 122 D HA -0.189 4.430 4.640 -0.036 0.000 0.195 122 D C 1.945 178.200 176.300 -0.074 0.000 0.997 122 D CA 1.216 55.156 54.000 -0.101 0.000 0.840 122 D CB -0.381 40.382 40.800 -0.062 0.000 0.947 122 D HN 0.266 nan 8.370 nan 0.000 0.452 123 N N 0.218 118.883 118.700 -0.059 0.000 2.166 123 N HA -0.069 4.650 4.740 -0.036 0.000 0.186 123 N C 2.021 177.516 175.510 -0.025 0.000 1.019 123 N CA 0.395 53.427 53.050 -0.030 0.000 0.856 123 N CB -0.389 38.087 38.487 -0.017 0.000 0.993 123 N HN 0.248 nan 8.380 nan 0.000 0.426 124 L N 0.187 121.364 121.223 -0.076 0.000 2.056 124 L HA -0.060 4.258 4.340 -0.036 0.000 0.207 124 L C 2.008 178.882 176.870 0.007 0.000 1.078 124 L CA 0.830 55.629 54.840 -0.068 0.000 0.749 124 L CB -0.343 41.581 42.059 -0.226 0.000 0.901 124 L HN 0.132 nan 8.230 nan 0.000 0.433 125 I N -0.605 119.904 120.570 -0.102 0.000 2.252 125 I HA -0.249 3.900 4.170 -0.036 0.000 0.245 125 I C 2.512 178.723 176.117 0.158 0.000 1.102 125 I CA 1.379 62.723 61.300 0.074 0.000 1.385 125 I CB -0.462 37.489 38.000 -0.081 0.000 1.064 125 I HN 0.222 nan 8.210 nan 0.000 0.414 126 T N -0.011 114.582 114.554 0.064 0.000 2.720 126 T HA -0.177 4.151 4.350 -0.036 0.000 0.268 126 T C 1.958 176.702 174.700 0.074 0.000 1.037 126 T CA 1.610 63.745 62.100 0.058 0.000 1.144 126 T CB -0.200 68.683 68.868 0.025 0.000 0.864 126 T HN 0.296 nan 8.240 nan 0.000 0.444 127 E N -0.096 120.154 120.200 0.084 0.000 2.208 127 E HA 0.322 4.650 4.350 -0.036 0.000 0.193 127 E C 1.122 177.781 176.600 0.098 0.000 0.988 127 E CA 0.329 56.776 56.400 0.078 0.000 0.828 127 E CB -0.635 29.108 29.700 0.072 0.000 0.763 127 E HN 0.824 nan 8.360 nan 0.000 0.478 128 G N -0.143 108.767 108.800 0.183 0.000 2.692 128 G HA2 0.110 4.049 3.960 -0.036 0.000 0.686 128 G HA3 0.110 4.049 3.960 -0.036 0.000 0.686 128 G C 0.040 174.973 174.900 0.054 0.000 1.243 128 G CA -0.696 44.478 45.100 0.122 0.000 0.782 128 G HN 0.816 nan 8.290 nan 0.000 0.625 129 A N 2.727 125.338 122.820 -0.349 0.000 2.466 129 A HA 0.717 5.016 4.320 -0.036 0.000 0.238 129 A C -0.460 177.005 177.584 -0.199 0.000 1.074 129 A CA 0.170 51.913 52.037 -0.490 0.000 0.774 129 A CB -0.230 18.185 19.000 -0.975 0.000 1.015 129 A HN 1.140 nan 8.150 nan 0.000 0.498 130 P HA 0.544 nan 4.420 nan 0.000 0.276 130 P C -0.694 176.667 177.300 0.102 0.000 1.244 130 P CA -0.111 62.966 63.100 -0.037 0.000 0.801 130 P CB 1.361 33.044 31.700 -0.030 0.000 1.006 131 A N 0.915 123.869 122.820 0.223 0.000 2.356 131 A HA 0.449 4.747 4.320 -0.036 0.000 0.323 131 A C -0.695 176.950 177.584 0.100 0.000 1.119 131 A CA -0.495 51.659 52.037 0.195 0.000 0.790 131 A CB 0.941 20.093 19.000 0.255 0.000 1.273 131 A HN 0.521 nan 8.150 nan 0.000 0.452 132 D N 2.275 122.710 120.400 0.059 0.000 2.443 132 D HA 0.300 4.918 4.640 -0.036 0.000 0.221 132 D C 0.771 177.099 176.300 0.046 0.000 1.097 132 D CA -0.231 53.789 54.000 0.033 0.000 0.865 132 D CB 0.465 41.275 40.800 0.017 0.000 1.034 132 D HN 0.415 nan 8.370 nan 0.000 0.511 133 L N 2.960 124.212 121.223 0.049 0.000 2.362 133 L HA -0.056 4.263 4.340 -0.036 0.000 0.219 133 L C 2.345 179.292 176.870 0.130 0.000 1.134 133 L CA 0.557 55.460 54.840 0.105 0.000 0.807 133 L CB -0.062 42.043 42.059 0.077 0.000 0.927 133 L HN 0.367 nan 8.230 nan 0.000 0.447 134 R N 0.348 120.879 120.500 0.051 0.000 2.046 134 R HA -0.054 4.264 4.340 -0.036 0.000 0.223 134 R C 2.020 178.327 176.300 0.013 0.000 1.179 134 R CA 1.074 57.190 56.100 0.027 0.000 0.952 134 R CB 0.016 30.314 30.300 -0.004 0.000 0.843 134 R HN 0.296 nan 8.270 nan 0.000 0.439 135 N N 0.591 119.295 118.700 0.007 0.000 2.396 135 N HA -0.096 4.622 4.740 -0.036 0.000 0.180 135 N C -0.017 175.476 175.510 -0.027 0.000 1.028 135 N CA 1.002 54.045 53.050 -0.013 0.000 0.893 135 N CB 0.154 38.643 38.487 0.004 0.000 0.967 135 N HN 0.315 nan 8.380 nan 0.000 0.440 136 D N -1.465 118.946 120.400 0.018 0.000 2.479 136 D HA 0.159 4.777 4.640 -0.036 0.000 0.218 136 D C 0.427 176.800 176.300 0.120 0.000 1.177 136 D CA -0.125 53.896 54.000 0.035 0.000 0.830 136 D CB 0.424 41.244 40.800 0.033 0.000 1.014 136 D HN 0.198 nan 8.370 nan 0.000 0.503 137 F N 0.234 120.137 119.950 -0.078 0.000 1.793 137 F HA 0.273 4.778 4.527 -0.036 0.000 0.236 137 F C 1.805 177.568 175.800 -0.062 0.000 1.208 137 F CA 0.304 58.254 58.000 -0.083 0.000 1.311 137 F CB -0.125 38.817 39.000 -0.095 0.000 1.820 137 F HN -0.138 nan 8.300 nan 0.000 0.373 138 A N 0.494 123.183 122.820 -0.218 0.000 1.877 138 A HA -0.140 4.158 4.320 -0.036 0.000 0.216 138 A C 1.646 179.139 177.584 -0.152 0.000 1.186 138 A CA 2.375 54.238 52.037 -0.290 0.000 0.620 138 A CB -1.005 17.959 19.000 -0.059 0.000 0.822 138 A HN 0.545 nan 8.150 nan 0.000 0.443 139 D N -0.620 119.708 120.400 -0.121 0.000 2.097 139 D HA -0.047 4.572 4.640 -0.036 0.000 0.197 139 D C -0.426 175.714 176.300 -0.266 0.000 0.984 139 D CA 1.399 55.296 54.000 -0.172 0.000 0.826 139 D CB -1.552 39.107 40.800 -0.235 0.000 0.973 139 D HN 0.282 nan 8.370 nan 0.000 0.460 140 P HA -0.104 nan 4.420 nan 0.000 0.218 140 P C 1.677 178.905 177.300 -0.119 0.000 1.148 140 P CA 0.634 63.611 63.100 -0.204 0.000 0.822 140 P CB 0.061 31.674 31.700 -0.144 0.000 0.784 141 L N -0.238 120.891 121.223 -0.158 0.000 2.027 141 L HA -0.080 4.239 4.340 -0.036 0.000 0.206 141 L C 2.267 179.213 176.870 0.127 0.000 1.074 141 L CA 2.010 56.786 54.840 -0.105 0.000 0.745 141 L CB -1.528 40.306 42.059 -0.374 0.000 0.898 141 L HN -0.118 nan 8.230 nan 0.000 0.433 142 A N -1.568 121.359 122.820 0.177 0.000 1.908 142 A HA -0.236 4.063 4.320 -0.036 0.000 0.218 142 A C 2.288 179.936 177.584 0.107 0.000 1.181 142 A CA 2.500 54.575 52.037 0.063 0.000 0.627 142 A CB -1.252 17.684 19.000 -0.106 0.000 0.818 142 A HN 0.517 nan 8.150 nan 0.000 0.445 143 T N -0.015 114.555 114.554 0.026 0.000 2.777 143 T HA 0.071 4.400 4.350 -0.036 0.000 0.266 143 T C 2.258 177.082 174.700 0.207 0.000 1.040 143 T CA 1.431 63.584 62.100 0.088 0.000 1.141 143 T CB -0.440 68.447 68.868 0.032 0.000 0.868 143 T HN 0.599 nan 8.240 nan 0.000 0.444 144 A N 1.535 124.461 122.820 0.175 0.000 1.883 144 A HA -0.048 4.251 4.320 -0.036 0.000 0.217 144 A C 2.242 180.053 177.584 0.378 0.000 1.186 144 A CA 1.429 53.636 52.037 0.282 0.000 0.624 144 A CB -0.907 18.224 19.000 0.218 0.000 0.822 144 A HN 0.409 nan 8.150 nan 0.000 0.444 145 L N -0.675 120.735 121.223 0.312 0.000 2.012 145 L HA -0.205 4.113 4.340 -0.036 0.000 0.210 145 L C 2.218 179.092 176.870 0.006 0.000 1.073 145 L CA 2.664 57.631 54.840 0.212 0.000 0.748 145 L CB -0.882 41.250 42.059 0.121 0.000 0.891 145 L HN 0.543 nan 8.230 nan 0.000 0.431 146 H N -2.239 116.874 119.070 0.071 0.000 2.462 146 H HA -0.046 4.489 4.556 -0.035 0.000 0.292 146 H C 2.326 177.787 175.328 0.222 0.000 1.049 146 H CA 1.474 57.558 56.048 0.060 0.000 1.334 146 H CB -0.464 29.169 29.762 -0.216 0.000 1.404 146 H HN 0.400 nan 8.280 nan 0.000 0.544 147 C N 0.426 119.940 119.300 0.357 0.000 2.432 147 C HA -0.124 4.315 4.460 -0.036 0.000 0.277 147 C C 2.659 177.703 174.990 0.091 0.000 1.249 147 C CA 1.201 60.386 59.018 0.278 0.000 1.725 147 C CB -0.390 27.496 27.740 0.244 0.000 2.028 147 C HN 0.480 nan 8.230 nan 0.000 0.477 148 K N 1.117 121.493 120.400 -0.039 0.000 2.057 148 K HA -0.091 4.208 4.320 -0.036 0.000 0.207 148 K C 1.742 178.260 176.600 -0.136 0.000 1.049 148 K CA 1.552 57.691 56.287 -0.248 0.000 0.931 148 K CB -0.569 31.541 32.500 -0.651 0.000 0.714 148 K HN 0.289 nan 8.250 nan 0.000 0.440 149 V N 0.669 120.535 119.914 -0.080 0.000 2.407 149 V HA -0.200 3.899 4.120 -0.036 0.000 0.248 149 V C 2.044 178.146 176.094 0.014 0.000 1.055 149 V CA 1.459 63.729 62.300 -0.050 0.000 1.049 149 V CB -0.392 31.376 31.823 -0.091 0.000 0.662 149 V HN 0.222 nan 8.190 nan 0.000 0.455 150 L N 0.306 121.580 121.223 0.086 0.000 2.313 150 L HA 0.246 4.565 4.340 -0.036 0.000 0.214 150 L C 1.843 178.740 176.870 0.044 0.000 1.119 150 L CA 1.630 56.534 54.840 0.107 0.000 0.809 150 L CB -0.744 41.445 42.059 0.217 0.000 0.933 150 L HN 0.506 nan 8.230 nan 0.000 0.449 151 G N -0.035 108.772 108.800 0.013 0.000 2.136 151 G HA2 -0.262 3.677 3.960 -0.036 0.000 0.242 151 G HA3 -0.262 3.677 3.960 -0.036 0.000 0.242 151 G C 0.432 175.334 174.900 0.004 0.000 0.989 151 G CA 0.393 45.483 45.100 -0.016 0.000 0.682 151 G HN 0.447 nan 8.290 nan 0.000 0.522 152 I N -2.249 118.351 120.570 0.049 0.000 2.676 152 I HA 0.776 4.925 4.170 -0.036 0.000 0.309 152 I C -2.177 173.989 176.117 0.082 0.000 0.990 152 I CA -3.208 58.140 61.300 0.080 0.000 1.168 152 I CB 1.377 39.474 38.000 0.162 0.000 1.343 152 I HN -0.157 nan 8.210 nan 0.000 0.482 153 P HA 0.036 nan 4.420 nan 0.000 0.265 153 P C 0.088 177.442 177.300 0.091 0.000 1.193 153 P CA -0.076 63.069 63.100 0.076 0.000 0.765 153 P CB 0.497 32.243 31.700 0.077 0.000 0.823 154 Q N 2.720 122.574 119.800 0.090 0.000 2.152 154 Q HA -0.227 4.092 4.340 -0.036 0.000 0.206 154 Q C 1.670 177.725 176.000 0.091 0.000 0.985 154 Q CA 1.949 57.821 55.803 0.115 0.000 0.863 154 Q CB -0.329 28.490 28.738 0.135 0.000 0.904 154 Q HN 0.712 nan 8.270 nan 0.000 0.422 155 E N 0.207 120.449 120.200 0.069 0.000 2.338 155 E HA -0.157 4.171 4.350 -0.036 0.000 0.197 155 E C 0.601 177.217 176.600 0.026 0.000 1.007 155 E CA 1.065 57.494 56.400 0.048 0.000 0.849 155 E CB -0.003 29.722 29.700 0.042 0.000 0.774 155 E HN 0.169 nan 8.360 nan 0.000 0.506 156 D N 0.923 121.335 120.400 0.020 0.000 2.347 156 D HA 0.005 4.623 4.640 -0.036 0.000 0.213 156 D C 1.872 178.096 176.300 -0.127 0.000 0.985 156 D CA 0.949 54.904 54.000 -0.076 0.000 0.879 156 D CB -0.100 40.673 40.800 -0.046 0.000 0.919 156 D HN 0.385 nan 8.370 nan 0.000 0.526 157 G N 1.934 110.740 108.800 0.010 0.000 2.421 157 G HA2 -0.188 3.750 3.960 -0.036 0.000 0.216 157 G HA3 -0.188 3.750 3.960 -0.036 0.000 0.216 157 G C -0.653 174.340 174.900 0.155 0.000 1.171 157 G CA 0.352 45.522 45.100 0.117 0.000 0.775 157 G HN 0.285 nan 8.290 nan 0.000 0.543 158 P HA -0.127 nan 4.420 nan 0.000 0.215 158 P C 2.237 179.629 177.300 0.153 0.000 1.157 158 P CA 2.541 65.733 63.100 0.153 0.000 0.874 158 P CB -0.154 31.594 31.700 0.080 0.000 0.790 159 K N -0.425 119.988 120.400 0.023 0.000 2.057 159 K HA -0.096 4.202 4.320 -0.036 0.000 0.207 159 K C 2.149 178.711 176.600 -0.064 0.000 1.049 159 K CA 1.389 57.656 56.287 -0.033 0.000 0.931 159 K CB -2.070 30.364 32.500 -0.109 0.000 0.714 159 K HN 0.161 nan 8.250 nan 0.000 0.440 160 L N -0.709 120.416 121.223 -0.163 0.000 2.056 160 L HA 0.071 4.390 4.340 -0.036 0.000 0.207 160 L C 2.675 179.611 176.870 0.109 0.000 1.078 160 L CA 1.851 56.552 54.840 -0.233 0.000 0.749 160 L CB -0.632 40.945 42.059 -0.803 0.000 0.901 160 L HN 0.261 nan 8.230 nan 0.000 0.433 161 F N 1.418 121.471 119.950 0.172 0.000 2.126 161 F HA -0.298 4.209 4.527 -0.034 0.000 0.299 161 F C 2.831 178.722 175.800 0.151 0.000 1.096 161 F CA 2.088 60.240 58.000 0.252 0.000 1.255 161 F CB -0.527 38.588 39.000 0.193 0.000 0.997 161 F HN -0.055 nan 8.300 nan 0.000 0.479 162 R N 0.135 120.645 120.500 0.017 0.000 2.193 162 R HA -0.082 4.236 4.340 -0.036 0.000 0.229 162 R C 2.194 178.439 176.300 -0.093 0.000 1.110 162 R CA 1.642 57.705 56.100 -0.062 0.000 0.988 162 R CB -1.957 28.371 30.300 0.047 0.000 0.871 162 R HN 0.459 nan 8.270 nan 0.000 0.458 163 S N 0.925 116.598 115.700 -0.046 0.000 2.419 163 S HA 0.003 4.452 4.470 -0.036 0.000 0.233 163 S C 1.941 176.554 174.600 0.021 0.000 1.016 163 S CA 1.258 59.460 58.200 0.003 0.000 0.974 163 S CB -0.188 63.040 63.200 0.046 0.000 0.786 163 S HN 0.536 nan 8.310 nan 0.000 0.492 164 L N 1.698 122.893 121.223 -0.045 0.000 2.217 164 L HA -0.043 4.275 4.340 -0.036 0.000 0.211 164 L C 2.573 179.580 176.870 0.228 0.000 1.107 164 L CA 1.127 56.036 54.840 0.115 0.000 0.783 164 L CB -0.791 41.261 42.059 -0.010 0.000 0.919 164 L HN 0.402 nan 8.230 nan 0.000 0.442 165 S N -0.229 115.487 115.700 0.026 0.000 2.469 165 S HA -0.075 4.373 4.470 -0.036 0.000 0.238 165 S C 1.722 176.456 174.600 0.223 0.000 0.998 165 S CA 0.833 59.059 58.200 0.044 0.000 0.957 165 S CB -0.315 62.803 63.200 -0.137 0.000 0.764 165 S HN 0.439 nan 8.310 nan 0.000 0.514 166 I N 0.933 121.600 120.570 0.161 0.000 3.039 166 I HA 0.215 4.363 4.170 -0.036 0.000 0.270 166 I C 2.858 179.029 176.117 0.090 0.000 1.150 166 I CA 0.603 61.979 61.300 0.126 0.000 1.448 166 I CB -0.454 37.579 38.000 0.054 0.000 1.197 166 I HN 0.343 nan 8.210 nan 0.000 0.450 167 A N 0.897 123.754 122.820 0.063 0.000 1.972 167 A HA -0.134 4.164 4.320 -0.036 0.000 0.219 167 A C 1.590 178.923 177.584 -0.418 0.000 1.169 167 A CA 1.576 53.534 52.037 -0.132 0.000 0.635 167 A CB -0.739 18.210 19.000 -0.084 0.000 0.810 167 A HN 0.417 nan 8.150 nan 0.000 0.446 168 F N -0.558 119.330 119.950 -0.104 0.000 2.668 168 F HA 0.373 4.879 4.527 -0.035 0.000 0.297 168 F C 0.743 176.150 175.800 -0.656 0.000 1.124 168 F CA -0.297 57.434 58.000 -0.448 0.000 1.353 168 F CB -0.259 38.345 39.000 -0.660 0.000 0.992 168 F HN 0.038 nan 8.300 nan 0.000 0.524 169 M N -0.040 119.522 119.600 -0.063 0.000 2.245 169 M HA 0.018 4.476 4.480 -0.036 0.000 0.330 169 M C 0.733 176.985 176.300 -0.081 0.000 1.098 169 M CA 0.415 55.752 55.300 0.061 0.000 1.172 169 M CB 0.677 33.350 32.600 0.122 0.000 1.467 169 M HN -0.066 nan 8.290 nan 0.000 0.454 170 S N 1.830 117.516 115.700 -0.023 0.000 2.475 170 S HA 0.354 4.802 4.470 -0.036 0.000 0.249 170 S C -0.714 173.877 174.600 -0.015 0.000 1.298 170 S CA -0.525 57.647 58.200 -0.046 0.000 1.125 170 S CB 0.392 63.564 63.200 -0.048 0.000 1.054 170 S HN 0.664 nan 8.310 nan 0.000 0.484 171 S N 3.041 118.724 115.700 -0.030 0.000 2.578 171 S HA 0.722 5.171 4.470 -0.036 0.000 0.301 171 S C 1.150 175.732 174.600 -0.030 0.000 1.091 171 S CA -0.199 57.990 58.200 -0.019 0.000 1.032 171 S CB 1.418 64.606 63.200 -0.019 0.000 1.064 171 S HN 0.797 nan 8.310 nan 0.000 0.508 172 A N 2.772 125.579 122.820 -0.023 0.000 2.014 172 A HA 0.175 4.473 4.320 -0.036 0.000 0.218 172 A C 0.351 177.917 177.584 -0.031 0.000 1.163 172 A CA 0.974 52.995 52.037 -0.027 0.000 0.652 172 A CB -0.269 18.718 19.000 -0.021 0.000 0.808 172 A HN 0.808 nan 8.150 nan 0.000 0.449 173 D N -1.370 119.013 120.400 -0.029 0.000 2.490 173 D HA 0.472 5.090 4.640 -0.036 0.000 0.232 173 D C -2.978 173.300 176.300 -0.037 0.000 1.053 173 D CA -1.638 52.344 54.000 -0.030 0.000 0.914 173 D CB 0.950 41.736 40.800 -0.022 0.000 1.431 173 D HN -0.147 nan 8.370 nan 0.000 0.483 174 P HA 0.138 nan 4.420 nan 0.000 0.267 174 P C -0.400 176.877 177.300 -0.037 0.000 1.201 174 P CA 0.196 63.267 63.100 -0.048 0.000 0.775 174 P CB 0.553 32.225 31.700 -0.047 0.000 0.854 175 I N 4.200 124.745 120.570 -0.041 0.000 2.390 175 I HA 0.210 4.358 4.170 -0.036 0.000 0.283 175 I C -1.566 174.539 176.117 -0.019 0.000 1.016 175 I CA -2.126 59.158 61.300 -0.026 0.000 1.151 175 I CB 1.834 39.818 38.000 -0.027 0.000 1.293 175 I HN 0.233 nan 8.210 nan 0.000 0.458 176 P HA -0.227 nan 4.420 nan 0.000 0.216 176 P C 1.564 178.870 177.300 0.009 0.000 1.150 176 P CA 1.219 64.319 63.100 -0.001 0.000 0.843 176 P CB 0.331 32.032 31.700 0.001 0.000 0.787 177 A N -0.237 122.590 122.820 0.010 0.000 1.972 177 A HA -0.085 4.213 4.320 -0.036 0.000 0.219 177 A C 2.301 179.903 177.584 0.030 0.000 1.169 177 A CA 1.877 53.925 52.037 0.020 0.000 0.635 177 A CB -1.471 17.539 19.000 0.017 0.000 0.810 177 A HN 0.206 nan 8.150 nan 0.000 0.446 178 A N 0.122 122.951 122.820 0.016 0.000 1.902 178 A HA -0.190 4.108 4.320 -0.036 0.000 0.217 178 A C 2.127 179.752 177.584 0.068 0.000 1.181 178 A CA 2.058 54.107 52.037 0.019 0.000 0.623 178 A CB -0.443 18.531 19.000 -0.043 0.000 0.818 178 A HN 0.585 nan 8.150 nan 0.000 0.443 179 K N -0.217 120.210 120.400 0.046 0.000 2.057 179 K HA -0.058 4.240 4.320 -0.036 0.000 0.206 179 K C 1.810 178.493 176.600 0.138 0.000 1.050 179 K CA 1.393 57.737 56.287 0.095 0.000 0.935 179 K CB -0.344 32.181 32.500 0.042 0.000 0.715 179 K HN 0.484 nan 8.250 nan 0.000 0.439 180 I N 1.732 122.352 120.570 0.085 0.000 2.118 180 I HA -0.347 3.801 4.170 -0.036 0.000 0.241 180 I C 1.965 178.129 176.117 0.079 0.000 1.070 180 I CA 1.321 62.663 61.300 0.070 0.000 1.327 180 I CB -0.504 37.521 38.000 0.043 0.000 1.034 180 I HN 0.282 nan 8.210 nan 0.000 0.405 181 N N 0.197 118.948 118.700 0.085 0.000 2.142 181 N HA -0.216 4.502 4.740 -0.036 0.000 0.186 181 N C 1.535 177.111 175.510 0.110 0.000 1.023 181 N CA 1.157 54.252 53.050 0.075 0.000 0.852 181 N CB -0.475 38.053 38.487 0.069 0.000 0.998 181 N HN 0.554 nan 8.380 nan 0.000 0.424 182 W N 2.573 123.866 121.300 -0.012 0.000 2.333 182 W HA -0.197 4.447 4.660 -0.028 0.000 0.316 182 W C 0.815 177.342 176.519 0.012 0.000 1.215 182 W CA 1.400 58.742 57.345 -0.005 0.000 1.278 182 W CB -0.229 29.219 29.460 -0.020 0.000 1.154 182 W HN 0.044 nan 8.180 nan 0.000 0.486 183 D N -0.221 120.251 120.400 0.120 0.000 2.117 183 D HA -0.170 4.449 4.640 -0.036 0.000 0.197 183 D C 2.371 178.637 176.300 -0.057 0.000 0.987 183 D CA 1.811 55.823 54.000 0.019 0.000 0.829 183 D CB -0.677 40.181 40.800 0.097 0.000 0.961 183 D HN 0.010 nan 8.370 nan 0.000 0.460 184 R N 0.771 121.256 120.500 -0.025 0.000 2.075 184 R HA -0.100 4.218 4.340 -0.036 0.000 0.232 184 R C 1.495 177.766 176.300 -0.047 0.000 1.126 184 R CA 1.539 57.625 56.100 -0.023 0.000 0.963 184 R CB -0.832 29.462 30.300 -0.010 0.000 0.858 184 R HN 0.223 nan 8.270 nan 0.000 0.435 185 D N 0.242 120.579 120.400 -0.106 0.000 2.144 185 D HA 0.006 4.625 4.640 -0.036 0.000 0.200 185 D C 2.011 178.220 176.300 -0.151 0.000 0.978 185 D CA 1.235 55.162 54.000 -0.121 0.000 0.833 185 D CB -0.199 40.501 40.800 -0.167 0.000 0.961 185 D HN 0.295 nan 8.370 nan 0.000 0.470 186 I N 1.374 121.742 120.570 -0.337 0.000 2.226 186 I HA -0.193 3.955 4.170 -0.036 0.000 0.245 186 I C 2.132 178.166 176.117 -0.139 0.000 1.100 186 I CA 1.187 62.296 61.300 -0.319 0.000 1.374 186 I CB -0.643 37.094 38.000 -0.438 0.000 1.057 186 I HN 0.013 nan 8.210 nan 0.000 0.413 187 E N 0.019 120.167 120.200 -0.087 0.000 2.110 187 E HA -0.247 4.081 4.350 -0.036 0.000 0.193 187 E C 2.056 178.638 176.600 -0.030 0.000 0.988 187 E CA 1.074 57.449 56.400 -0.043 0.000 0.804 187 E CB -0.686 29.003 29.700 -0.017 0.000 0.745 187 E HN 0.551 nan 8.360 nan 0.000 0.458 188 Y N 1.154 121.390 120.300 -0.106 0.000 2.097 188 Y HA -0.246 4.282 4.550 -0.036 0.000 0.282 188 Y C 2.191 178.033 175.900 -0.096 0.000 1.152 188 Y CA 1.837 59.878 58.100 -0.099 0.000 1.136 188 Y CB -0.206 38.183 38.460 -0.119 0.000 0.975 188 Y HN -0.064 nan 8.280 nan 0.000 0.498 189 M N -0.018 119.483 119.600 -0.166 0.000 2.229 189 M HA -0.104 4.355 4.480 -0.036 0.000 0.264 189 M C 2.428 178.603 176.300 -0.209 0.000 1.063 189 M CA 1.419 56.583 55.300 -0.227 0.000 1.114 189 M CB -1.728 30.834 32.600 -0.063 0.000 1.387 189 M HN 0.507 nan 8.290 nan 0.000 0.420 190 A N 0.368 123.098 122.820 -0.151 0.000 1.902 190 A HA -0.023 4.275 4.320 -0.036 0.000 0.217 190 A C 2.434 179.929 177.584 -0.149 0.000 1.181 190 A CA 1.976 53.946 52.037 -0.111 0.000 0.623 190 A CB -1.427 17.531 19.000 -0.069 0.000 0.818 190 A HN 0.494 nan 8.150 nan 0.000 0.443 191 G N -0.143 108.542 108.800 -0.192 0.000 2.422 191 G HA2 -0.156 3.782 3.960 -0.036 0.000 0.218 191 G HA3 -0.156 3.782 3.960 -0.036 0.000 0.218 191 G C 1.402 176.154 174.900 -0.247 0.000 1.146 191 G CA 1.045 46.026 45.100 -0.198 0.000 0.769 191 G HN 0.358 nan 8.290 nan 0.000 0.547 192 I N 0.780 121.128 120.570 -0.369 0.000 2.226 192 I HA -0.086 4.062 4.170 -0.036 0.000 0.245 192 I C 2.785 178.778 176.117 -0.206 0.000 1.100 192 I CA 0.962 62.066 61.300 -0.327 0.000 1.374 192 I CB -0.868 36.883 38.000 -0.415 0.000 1.057 192 I HN 0.166 nan 8.210 nan 0.000 0.413 193 L N 0.046 121.156 121.223 -0.187 0.000 2.201 193 L HA -0.149 4.170 4.340 -0.036 0.000 0.212 193 L C 2.204 178.980 176.870 -0.155 0.000 1.105 193 L CA 0.958 55.696 54.840 -0.171 0.000 0.775 193 L CB -0.391 41.568 42.059 -0.168 0.000 0.913 193 L HN 0.194 nan 8.230 nan 0.000 0.440 194 E N -0.433 119.684 120.200 -0.137 0.000 2.478 194 E HA -0.002 4.326 4.350 -0.036 0.000 0.194 194 E C 0.290 176.830 176.600 -0.100 0.000 1.045 194 E CA 0.037 56.371 56.400 -0.110 0.000 0.868 194 E CB -0.092 29.552 29.700 -0.093 0.000 0.885 194 E HN 0.256 nan 8.360 nan 0.000 0.505 195 N N 2.115 120.747 118.700 -0.112 0.000 2.420 195 N HA 0.047 4.766 4.740 -0.036 0.000 0.249 195 N C -1.710 173.751 175.510 -0.082 0.000 1.033 195 N CA -1.836 51.157 53.050 -0.095 0.000 0.944 195 N CB 1.397 39.819 38.487 -0.109 0.000 1.113 195 N HN -0.171 nan 8.380 nan 0.000 0.502 196 P HA -0.050 nan 4.420 nan 0.000 0.223 196 P C 0.251 177.518 177.300 -0.054 0.000 1.151 196 P CA 0.830 63.894 63.100 -0.060 0.000 0.787 196 P CB 0.503 32.174 31.700 -0.049 0.000 0.788 197 N N -0.114 118.556 118.700 -0.050 0.000 2.494 197 N HA 0.002 4.721 4.740 -0.036 0.000 0.182 197 N C 0.606 176.088 175.510 -0.045 0.000 1.076 197 N CA 0.556 53.582 53.050 -0.041 0.000 0.908 197 N CB -0.080 38.388 38.487 -0.032 0.000 0.967 197 N HN 0.209 nan 8.380 nan 0.000 0.449 198 I N 1.755 122.289 120.570 -0.059 0.000 2.269 198 I HA 0.079 4.227 4.170 -0.036 0.000 0.293 198 I C 1.142 177.219 176.117 -0.066 0.000 1.106 198 I CA 0.299 61.562 61.300 -0.062 0.000 1.248 198 I CB 0.017 37.969 38.000 -0.080 0.000 1.444 198 I HN -0.019 nan 8.210 nan 0.000 0.497 199 T N -0.086 114.434 114.554 -0.056 0.000 3.043 199 T HA 0.137 4.466 4.350 -0.036 0.000 0.272 199 T C 0.685 175.353 174.700 -0.053 0.000 0.990 199 T CA -0.075 61.991 62.100 -0.057 0.000 0.897 199 T CB 0.255 69.095 68.868 -0.047 0.000 1.111 199 T HN 0.513 nan 8.240 nan 0.000 0.529 200 T N -1.466 113.057 114.554 -0.051 0.000 2.910 200 T HA 0.725 5.054 4.350 -0.036 0.000 0.287 200 T C 0.766 175.437 174.700 -0.049 0.000 1.050 200 T CA -0.110 61.960 62.100 -0.050 0.000 1.011 200 T CB 1.279 70.116 68.868 -0.052 0.000 1.195 200 T HN 1.238 nan 8.240 nan 0.000 0.540 201 G N 0.300 109.071 108.800 -0.048 0.000 2.698 201 G HA2 -0.124 3.814 3.960 -0.036 0.000 0.233 201 G HA3 -0.124 3.814 3.960 -0.036 0.000 0.233 201 G C 0.399 175.276 174.900 -0.037 0.000 1.352 201 G CA 0.081 45.158 45.100 -0.040 0.000 0.879 201 G HN 1.485 nan 8.290 nan 0.000 0.567 202 L N -0.566 120.642 121.223 -0.025 0.000 2.012 202 L HA 0.012 4.330 4.340 -0.036 0.000 0.210 202 L C 2.932 179.776 176.870 -0.042 0.000 1.073 202 L CA 3.222 58.039 54.840 -0.037 0.000 0.748 202 L CB -0.458 41.585 42.059 -0.026 0.000 0.891 202 L HN 0.637 nan 8.230 nan 0.000 0.431 203 M N -0.753 118.832 119.600 -0.025 0.000 2.254 203 M HA 0.055 4.513 4.480 -0.036 0.000 0.265 203 M C 2.290 178.542 176.300 -0.081 0.000 1.066 203 M CA 1.254 56.527 55.300 -0.045 0.000 1.123 203 M CB -2.208 30.371 32.600 -0.035 0.000 1.388 203 M HN 0.382 nan 8.290 nan 0.000 0.425 204 G N -0.032 108.726 108.800 -0.070 0.000 2.418 204 G HA2 -0.247 3.691 3.960 -0.036 0.000 0.217 204 G HA3 -0.247 3.691 3.960 -0.036 0.000 0.217 204 G C 1.584 176.426 174.900 -0.097 0.000 1.158 204 G CA 1.181 46.232 45.100 -0.082 0.000 0.771 204 G HN 0.436 nan 8.290 nan 0.000 0.545 205 E N 0.496 120.644 120.200 -0.088 0.000 2.047 205 E HA 0.014 4.342 4.350 -0.036 0.000 0.191 205 E C 2.555 179.072 176.600 -0.138 0.000 0.987 205 E CA 0.595 56.936 56.400 -0.099 0.000 0.799 205 E CB -0.484 29.168 29.700 -0.079 0.000 0.752 205 E HN 0.414 nan 8.360 nan 0.000 0.449 206 L N 0.123 121.271 121.223 -0.126 0.000 2.079 206 L HA -0.163 4.155 4.340 -0.036 0.000 0.210 206 L C 2.600 179.243 176.870 -0.378 0.000 1.081 206 L CA 1.398 56.142 54.840 -0.161 0.000 0.752 206 L CB -0.579 41.474 42.059 -0.010 0.000 0.896 206 L HN 0.182 nan 8.230 nan 0.000 0.433 207 S N -0.321 115.208 115.700 -0.285 0.000 2.383 207 S HA -0.148 4.300 4.470 -0.036 0.000 0.227 207 S C 2.135 176.572 174.600 -0.272 0.000 1.026 207 S CA 1.107 59.127 58.200 -0.300 0.000 0.981 207 S CB -0.014 63.067 63.200 -0.198 0.000 0.818 207 S HN 0.334 nan 8.310 nan 0.000 0.472 208 R N 0.060 120.434 120.500 -0.210 0.000 2.075 208 R HA 0.160 4.479 4.340 -0.036 0.000 0.226 208 R C 2.343 178.536 176.300 -0.179 0.000 1.114 208 R CA 1.230 57.234 56.100 -0.159 0.000 0.972 208 R CB -0.409 29.825 30.300 -0.109 0.000 0.869 208 R HN 0.398 nan 8.270 nan 0.000 0.437 209 L N 0.208 121.281 121.223 -0.250 0.000 2.083 209 L HA -0.166 4.153 4.340 -0.036 0.000 0.209 209 L C 2.669 179.395 176.870 -0.240 0.000 1.083 209 L CA 1.212 55.859 54.840 -0.321 0.000 0.752 209 L CB -0.413 41.309 42.059 -0.562 0.000 0.899 209 L HN 0.171 nan 8.230 nan 0.000 0.433 210 R N 0.472 120.692 120.500 -0.468 0.000 2.139 210 R HA -0.161 4.157 4.340 -0.036 0.000 0.243 210 R C 1.486 177.684 176.300 -0.171 0.000 1.145 210 R CA 1.240 57.025 56.100 -0.525 0.000 0.976 210 R CB 0.157 29.902 30.300 -0.925 0.000 0.866 210 R HN 0.143 nan 8.270 nan 0.000 0.449 211 K N 0.305 120.625 120.400 -0.134 0.000 2.358 211 K HA 0.085 4.383 4.320 -0.036 0.000 0.200 211 K C -0.404 176.192 176.600 -0.007 0.000 1.030 211 K CA -0.024 56.224 56.287 -0.067 0.000 1.097 211 K CB 0.397 32.846 32.500 -0.085 0.000 0.862 211 K HN 0.250 nan 8.250 nan 0.000 0.534 212 D N 1.694 122.123 120.400 0.048 0.000 2.256 212 D HA 0.085 4.703 4.640 -0.036 0.000 0.250 212 D C -1.852 174.529 176.300 0.136 0.000 1.093 212 D CA -1.908 52.160 54.000 0.114 0.000 0.882 212 D CB 2.095 43.016 40.800 0.202 0.000 1.185 212 D HN -0.179 nan 8.370 nan 0.000 0.437 213 P HA -0.085 nan 4.420 nan 0.000 0.219 213 P C 0.784 178.088 177.300 0.007 0.000 1.146 213 P CA 0.847 63.963 63.100 0.027 0.000 0.808 213 P CB 0.130 31.837 31.700 0.011 0.000 0.779 214 A N -2.101 120.711 122.820 -0.013 0.000 2.172 214 A HA -0.109 4.189 4.320 -0.036 0.000 0.216 214 A C 0.834 178.111 177.584 -0.511 0.000 1.154 214 A CA 1.042 52.928 52.037 -0.252 0.000 0.701 214 A CB -1.210 17.589 19.000 -0.336 0.000 0.789 214 A HN 0.235 nan 8.150 nan 0.000 0.465 215 Y N -0.839 119.503 120.300 0.070 0.000 2.707 215 Y HA 0.111 4.639 4.550 -0.037 0.000 0.249 215 Y C 2.081 178.038 175.900 0.095 0.000 1.166 215 Y CA 0.015 58.186 58.100 0.119 0.000 1.184 215 Y CB -0.170 38.418 38.460 0.214 0.000 1.240 215 Y HN 0.335 nan 8.280 nan 0.000 0.547 216 S N -0.881 114.862 115.700 0.072 0.000 2.419 216 S HA -0.205 4.244 4.470 -0.036 0.000 0.235 216 S C 1.031 175.516 174.600 -0.191 0.000 1.019 216 S CA 1.585 59.727 58.200 -0.097 0.000 0.982 216 S CB -0.419 62.624 63.200 -0.261 0.000 0.789 216 S HN 0.510 nan 8.310 nan 0.000 0.490 217 H N 0.325 119.453 119.070 0.097 0.000 2.505 217 H HA 0.442 4.976 4.556 -0.036 0.000 0.286 217 H C -0.262 175.111 175.328 0.074 0.000 1.072 217 H CA -0.235 55.855 56.048 0.071 0.000 1.141 217 H CB 0.148 29.930 29.762 0.034 0.000 1.550 217 H HN 0.261 nan 8.280 nan 0.000 0.547 218 V N 2.863 122.894 119.914 0.196 0.000 2.530 218 V HA 0.019 4.117 4.120 -0.036 0.000 0.282 218 V C 0.913 177.069 176.094 0.103 0.000 1.048 218 V CA -0.470 61.888 62.300 0.095 0.000 0.997 218 V CB 1.276 33.120 31.823 0.035 0.000 0.987 218 V HN 0.412 nan 8.190 nan 0.000 0.477 219 S N 2.755 118.462 115.700 0.011 0.000 2.564 219 S HA 0.097 4.545 4.470 -0.036 0.000 0.278 219 S C 0.726 175.410 174.600 0.139 0.000 1.333 219 S CA -0.521 57.722 58.200 0.071 0.000 1.048 219 S CB 0.895 64.121 63.200 0.045 0.000 0.900 219 S HN 0.691 nan 8.310 nan 0.000 0.505 220 D N 1.500 122.022 120.400 0.205 0.000 2.178 220 D HA -0.106 4.512 4.640 -0.036 0.000 0.201 220 D C 1.737 178.138 176.300 0.167 0.000 0.980 220 D CA 1.557 55.709 54.000 0.252 0.000 0.842 220 D CB -0.337 40.544 40.800 0.135 0.000 0.948 220 D HN 0.876 nan 8.370 nan 0.000 0.472 221 E N 0.639 120.899 120.200 0.100 0.000 2.070 221 E HA -0.182 4.146 4.350 -0.036 0.000 0.197 221 E C 1.951 178.593 176.600 0.070 0.000 1.004 221 E CA 0.729 57.176 56.400 0.079 0.000 0.805 221 E CB -0.449 29.299 29.700 0.080 0.000 0.744 221 E HN 0.198 nan 8.360 nan 0.000 0.451 222 L N -0.357 120.873 121.223 0.011 0.000 2.017 222 L HA -0.037 4.281 4.340 -0.036 0.000 0.208 222 L C 2.152 178.984 176.870 -0.063 0.000 1.073 222 L CA 1.759 56.566 54.840 -0.056 0.000 0.745 222 L CB -0.798 41.153 42.059 -0.180 0.000 0.894 222 L HN 0.245 nan 8.230 nan 0.000 0.432 223 F N -0.096 119.867 119.950 0.022 0.000 2.091 223 F HA -0.290 4.216 4.527 -0.035 0.000 0.299 223 F C 2.528 178.318 175.800 -0.017 0.000 1.103 223 F CA 1.513 59.506 58.000 -0.012 0.000 1.228 223 F CB -0.938 38.041 39.000 -0.035 0.000 0.984 223 F HN 0.227 nan 8.300 nan 0.000 0.477 224 A N -0.436 122.478 122.820 0.157 0.000 1.902 224 A HA -0.174 4.124 4.320 -0.036 0.000 0.217 224 A C 2.163 179.755 177.584 0.013 0.000 1.181 224 A CA 2.190 54.252 52.037 0.042 0.000 0.623 224 A CB -1.303 17.688 19.000 -0.015 0.000 0.818 224 A HN 0.353 nan 8.150 nan 0.000 0.443 225 T N 0.514 115.097 114.554 0.048 0.000 2.759 225 T HA -0.132 4.196 4.350 -0.036 0.000 0.269 225 T C 1.748 176.561 174.700 0.189 0.000 1.042 225 T CA 1.582 63.748 62.100 0.109 0.000 1.140 225 T CB -0.474 68.526 68.868 0.219 0.000 0.864 225 T HN 0.455 nan 8.240 nan 0.000 0.455 226 I N 1.141 121.811 120.570 0.167 0.000 2.208 226 I HA -0.139 4.010 4.170 -0.036 0.000 0.245 226 I C 2.890 179.156 176.117 0.248 0.000 1.097 226 I CA 1.364 62.784 61.300 0.201 0.000 1.363 226 I CB -0.801 37.221 38.000 0.035 0.000 1.051 226 I HN 0.308 nan 8.210 nan 0.000 0.413 227 G N 0.560 109.458 108.800 0.164 0.000 2.459 227 G HA2 -0.192 3.746 3.960 -0.036 0.000 0.217 227 G HA3 -0.192 3.746 3.960 -0.036 0.000 0.217 227 G C 1.702 176.751 174.900 0.248 0.000 1.183 227 G CA 1.063 46.274 45.100 0.185 0.000 0.776 227 G HN 0.248 nan 8.290 nan 0.000 0.552 228 V N 1.695 121.693 119.914 0.139 0.000 2.307 228 V HA -0.193 3.905 4.120 -0.036 0.000 0.245 228 V C 3.369 179.645 176.094 0.303 0.000 1.045 228 V CA 2.535 64.898 62.300 0.105 0.000 1.024 228 V CB -1.099 30.570 31.823 -0.256 0.000 0.651 228 V HN 0.675 nan 8.190 nan 0.000 0.449 229 T N -1.655 113.113 114.554 0.356 0.000 2.746 229 T HA -0.190 4.138 4.350 -0.036 0.000 0.267 229 T C 1.794 176.680 174.700 0.311 0.000 1.039 229 T CA 1.640 63.969 62.100 0.382 0.000 1.142 229 T CB -0.580 68.512 68.868 0.373 0.000 0.866 229 T HN 0.293 nan 8.240 nan 0.000 0.444 230 F N 0.376 120.464 119.950 0.230 0.000 2.206 230 F HA 0.248 4.754 4.527 -0.035 0.000 0.298 230 F C 2.024 177.948 175.800 0.207 0.000 1.090 230 F CA -0.198 57.924 58.000 0.204 0.000 1.323 230 F CB -0.763 38.350 39.000 0.188 0.000 1.028 230 F HN 0.158 nan 8.300 nan 0.000 0.492 231 F N 0.638 120.759 119.950 0.286 0.000 2.075 231 F HA -0.069 4.435 4.527 -0.037 0.000 0.297 231 F C 2.427 178.252 175.800 0.043 0.000 1.113 231 F CA 1.872 59.974 58.000 0.170 0.000 1.218 231 F CB -0.899 38.208 39.000 0.178 0.000 0.984 231 F HN -0.053 nan 8.300 nan 0.000 0.472 232 G N -0.329 108.693 108.800 0.370 0.000 2.433 232 G HA2 -0.248 3.690 3.960 -0.036 0.000 0.216 232 G HA3 -0.248 3.690 3.960 -0.036 0.000 0.216 232 G C 1.787 176.694 174.900 0.011 0.000 1.186 232 G CA 0.901 46.202 45.100 0.335 0.000 0.779 232 G HN 0.614 nan 8.290 nan 0.000 0.543 233 A N 0.814 123.661 122.820 0.045 0.000 1.902 233 A HA 0.169 4.467 4.320 -0.036 0.000 0.217 233 A C 2.705 180.110 177.584 -0.299 0.000 1.181 233 A CA 2.134 54.083 52.037 -0.147 0.000 0.623 233 A CB -1.119 17.822 19.000 -0.097 0.000 0.818 233 A HN 0.548 nan 8.150 nan 0.000 0.443 234 G N -0.512 108.091 108.800 -0.328 0.000 2.433 234 G HA2 -0.137 3.802 3.960 -0.036 0.000 0.216 234 G HA3 -0.137 3.802 3.960 -0.036 0.000 0.216 234 G C 1.530 175.916 174.900 -0.858 0.000 1.186 234 G CA 1.366 46.166 45.100 -0.501 0.000 0.779 234 G HN 0.320 nan 8.290 nan 0.000 0.543 235 V N 0.632 119.911 119.914 -1.059 0.000 2.358 235 V HA -0.102 3.997 4.120 -0.036 0.000 0.246 235 V C 2.612 178.483 176.094 -0.370 0.000 1.047 235 V CA 1.493 63.353 62.300 -0.733 0.000 1.035 235 V CB -0.324 31.071 31.823 -0.713 0.000 0.658 235 V HN 0.338 nan 8.190 nan 0.000 0.452 236 I N -0.155 120.167 120.570 -0.412 0.000 2.394 236 I HA -0.159 3.989 4.170 -0.036 0.000 0.251 236 I C 2.415 178.350 176.117 -0.304 0.000 1.136 236 I CA 1.526 62.594 61.300 -0.385 0.000 1.425 236 I CB -0.139 37.360 38.000 -0.836 0.000 1.079 236 I HN 0.203 nan 8.210 nan 0.000 0.425 237 S N -0.555 114.959 115.700 -0.310 0.000 2.362 237 S HA -0.143 4.306 4.470 -0.036 0.000 0.221 237 S C 1.994 176.593 174.600 -0.002 0.000 1.032 237 S CA 1.647 59.761 58.200 -0.143 0.000 0.973 237 S CB -0.679 62.478 63.200 -0.072 0.000 0.849 237 S HN 0.697 nan 8.310 nan 0.000 0.465 238 T N 0.332 114.844 114.554 -0.070 0.000 2.812 238 T HA 0.029 4.357 4.350 -0.036 0.000 0.264 238 T C 2.026 176.726 174.700 -0.002 0.000 1.042 238 T CA 1.281 63.347 62.100 -0.056 0.000 1.140 238 T CB -0.982 67.636 68.868 -0.417 0.000 0.870 238 T HN 0.351 nan 8.240 nan 0.000 0.445 239 G N 1.176 109.941 108.800 -0.058 0.000 2.418 239 G HA2 -0.142 3.797 3.960 -0.036 0.000 0.217 239 G HA3 -0.142 3.797 3.960 -0.036 0.000 0.217 239 G C 1.887 176.828 174.900 0.068 0.000 1.158 239 G CA 0.962 46.081 45.100 0.032 0.000 0.771 239 G HN 0.564 nan 8.290 nan 0.000 0.545 240 S N 0.363 116.103 115.700 0.066 0.000 2.371 240 S HA -0.039 4.409 4.470 -0.036 0.000 0.224 240 S C 1.888 176.569 174.600 0.134 0.000 1.029 240 S CA 0.917 59.173 58.200 0.093 0.000 0.978 240 S CB -0.359 62.881 63.200 0.068 0.000 0.833 240 S HN 0.386 nan 8.310 nan 0.000 0.466 241 F N 2.781 122.762 119.950 0.052 0.000 2.075 241 F HA -0.080 4.425 4.527 -0.037 0.000 0.297 241 F C 1.909 177.766 175.800 0.095 0.000 1.113 241 F CA 0.952 58.995 58.000 0.071 0.000 1.218 241 F CB -0.776 38.261 39.000 0.063 0.000 0.984 241 F HN 0.151 nan 8.300 nan 0.000 0.472 242 L N 0.421 121.536 121.223 -0.180 0.000 2.012 242 L HA -0.170 4.149 4.340 -0.036 0.000 0.210 242 L C 2.288 179.046 176.870 -0.186 0.000 1.073 242 L CA 2.612 57.298 54.840 -0.257 0.000 0.748 242 L CB -1.486 40.590 42.059 0.027 0.000 0.891 242 L HN 0.254 nan 8.230 nan 0.000 0.431 243 T N -0.867 113.651 114.554 -0.060 0.000 2.635 243 T HA -0.208 4.120 4.350 -0.036 0.000 0.267 243 T C 1.718 176.407 174.700 -0.018 0.000 1.040 243 T CA 2.309 64.403 62.100 -0.010 0.000 1.156 243 T CB -0.702 68.180 68.868 0.024 0.000 0.863 243 T HN 0.696 nan 8.240 nan 0.000 0.430 244 T N 0.585 115.130 114.554 -0.014 0.000 2.985 244 T HA 0.229 4.557 4.350 -0.036 0.000 0.266 244 T C 2.264 176.938 174.700 -0.044 0.000 1.076 244 T CA 0.861 62.995 62.100 0.057 0.000 1.135 244 T CB -0.461 68.504 68.868 0.161 0.000 0.890 244 T HN 0.332 nan 8.240 nan 0.000 0.480 245 A N 1.885 124.544 122.820 -0.268 0.000 1.933 245 A HA 0.146 4.445 4.320 -0.036 0.000 0.218 245 A C 2.384 179.890 177.584 -0.130 0.000 1.175 245 A CA 1.201 53.059 52.037 -0.298 0.000 0.628 245 A CB -0.942 17.642 19.000 -0.692 0.000 0.814 245 A HN 0.530 nan 8.150 nan 0.000 0.444 246 L N -0.540 120.621 121.223 -0.103 0.000 2.079 246 L HA -0.206 4.112 4.340 -0.036 0.000 0.210 246 L C 2.466 179.339 176.870 0.004 0.000 1.081 246 L CA 1.280 56.104 54.840 -0.027 0.000 0.752 246 L CB -0.577 41.487 42.059 0.008 0.000 0.896 246 L HN 0.393 nan 8.230 nan 0.000 0.433 247 I N -0.755 119.831 120.570 0.026 0.000 2.163 247 I HA -0.297 3.851 4.170 -0.036 0.000 0.243 247 I C 2.645 178.797 176.117 0.058 0.000 1.085 247 I CA 1.305 62.644 61.300 0.064 0.000 1.347 247 I CB -0.365 37.713 38.000 0.131 0.000 1.044 247 I HN 0.176 nan 8.210 nan 0.000 0.408 248 S N 0.843 116.573 115.700 0.050 0.000 2.374 248 S HA -0.205 4.244 4.470 -0.036 0.000 0.227 248 S C 1.893 176.513 174.600 0.032 0.000 1.037 248 S CA 1.450 59.678 58.200 0.047 0.000 1.024 248 S CB -0.446 62.778 63.200 0.040 0.000 0.861 248 S HN 0.287 nan 8.310 nan 0.000 0.456 249 L N 1.630 122.864 121.223 0.017 0.000 2.044 249 L HA 0.118 4.436 4.340 -0.036 0.000 0.205 249 L C 1.954 178.835 176.870 0.018 0.000 1.075 249 L CA 1.449 56.298 54.840 0.015 0.000 0.747 249 L CB -0.714 41.348 42.059 0.006 0.000 0.903 249 L HN 0.261 nan 8.230 nan 0.000 0.435 250 I N -0.592 119.990 120.570 0.019 0.000 2.264 250 I HA -0.297 3.852 4.170 -0.036 0.000 0.248 250 I C 2.107 178.239 176.117 0.026 0.000 1.111 250 I CA 0.928 62.240 61.300 0.020 0.000 1.382 250 I CB -0.333 37.681 38.000 0.023 0.000 1.060 250 I HN 0.364 nan 8.210 nan 0.000 0.418 251 Q N 0.836 120.657 119.800 0.034 0.000 2.541 251 Q HA -0.020 4.299 4.340 -0.036 0.000 0.215 251 Q C 0.393 176.412 176.000 0.031 0.000 0.977 251 Q CA 0.847 56.672 55.803 0.037 0.000 0.934 251 Q CB -0.061 28.706 28.738 0.049 0.000 0.988 251 Q HN 0.503 nan 8.270 nan 0.000 0.521 252 R N 0.173 120.689 120.500 0.027 0.000 2.651 252 R HA 0.202 4.520 4.340 -0.036 0.000 0.282 252 R C -1.927 174.385 176.300 0.020 0.000 1.565 252 R CA -1.488 54.626 56.100 0.024 0.000 1.661 252 R CB 0.922 31.236 30.300 0.024 0.000 1.189 252 R HN -0.074 nan 8.270 nan 0.000 0.621 253 P HA -0.232 nan 4.420 nan 0.000 0.217 253 P C 1.189 178.499 177.300 0.016 0.000 1.148 253 P CA 1.133 64.240 63.100 0.012 0.000 0.828 253 P CB 0.339 32.044 31.700 0.009 0.000 0.783 254 Q N -0.966 118.845 119.800 0.018 0.000 2.050 254 Q HA -0.176 4.142 4.340 -0.036 0.000 0.202 254 Q C 2.003 178.018 176.000 0.026 0.000 0.980 254 Q CA 1.175 56.990 55.803 0.021 0.000 0.840 254 Q CB -0.637 28.112 28.738 0.019 0.000 0.898 254 Q HN 0.126 nan 8.270 nan 0.000 0.424 255 L N 0.951 122.188 121.223 0.025 0.000 2.027 255 L HA -0.170 4.148 4.340 -0.036 0.000 0.206 255 L C 2.445 179.336 176.870 0.035 0.000 1.074 255 L CA 1.765 56.622 54.840 0.028 0.000 0.745 255 L CB -0.604 41.469 42.059 0.024 0.000 0.898 255 L HN 0.115 nan 8.230 nan 0.000 0.433 256 R N -0.477 120.041 120.500 0.030 0.000 2.096 256 R HA -0.216 4.103 4.340 -0.036 0.000 0.240 256 R C 1.957 178.292 176.300 0.058 0.000 1.139 256 R CA 1.998 58.118 56.100 0.033 0.000 0.952 256 R CB -0.338 29.969 30.300 0.012 0.000 0.854 256 R HN 0.490 nan 8.270 nan 0.000 0.436 257 N N 0.907 119.637 118.700 0.050 0.000 2.142 257 N HA -0.165 4.553 4.740 -0.036 0.000 0.186 257 N C 1.725 177.296 175.510 0.102 0.000 1.023 257 N CA 0.891 53.990 53.050 0.081 0.000 0.852 257 N CB -0.462 38.056 38.487 0.053 0.000 0.998 257 N HN 0.163 nan 8.380 nan 0.000 0.424 258 L N 1.458 122.720 121.223 0.064 0.000 1.989 258 L HA -0.069 4.249 4.340 -0.036 0.000 0.211 258 L C 1.994 178.893 176.870 0.049 0.000 1.071 258 L CA 1.455 56.325 54.840 0.049 0.000 0.749 258 L CB -0.746 41.334 42.059 0.035 0.000 0.890 258 L HN 0.122 nan 8.230 nan 0.000 0.431 259 L N -1.233 120.024 121.223 0.058 0.000 2.141 259 L HA -0.234 4.084 4.340 -0.036 0.000 0.209 259 L C 2.664 179.575 176.870 0.068 0.000 1.094 259 L CA 1.460 56.332 54.840 0.054 0.000 0.763 259 L CB -1.002 41.089 42.059 0.054 0.000 0.908 259 L HN 0.542 nan 8.230 nan 0.000 0.437 260 H N 0.087 119.158 119.070 0.003 0.000 2.357 260 H HA -0.182 4.353 4.556 -0.036 0.000 0.301 260 H C 2.207 177.535 175.328 0.000 0.000 1.082 260 H CA 1.895 57.942 56.048 -0.002 0.000 1.342 260 H CB 0.448 30.208 29.762 -0.004 0.000 1.389 260 H HN 0.243 nan 8.280 nan 0.000 0.511 261 E N 1.091 121.261 120.200 -0.050 0.000 2.107 261 E HA -0.050 4.278 4.350 -0.036 0.000 0.191 261 E C 0.515 177.063 176.600 -0.086 0.000 0.982 261 E CA 0.777 57.119 56.400 -0.097 0.000 0.809 261 E CB 0.037 29.742 29.700 0.009 0.000 0.756 261 E HN 0.557 nan 8.360 nan 0.000 0.459 262 K N 0.601 120.977 120.400 -0.041 0.000 2.762 262 K HA 0.273 4.572 4.320 -0.036 0.000 0.180 262 K C -2.311 174.279 176.600 -0.016 0.000 1.067 262 K CA -1.383 54.888 56.287 -0.026 0.000 0.973 262 K CB 1.925 34.422 32.500 -0.006 0.000 1.290 262 K HN 0.221 nan 8.250 nan 0.000 0.604 263 P HA -0.193 nan 4.420 nan 0.000 0.234 263 P C 0.794 178.097 177.300 0.004 0.000 1.167 263 P CA 0.911 64.004 63.100 -0.011 0.000 0.763 263 P CB 0.324 32.007 31.700 -0.028 0.000 0.835 264 E N 0.840 121.041 120.200 0.002 0.000 2.338 264 E HA -0.114 4.214 4.350 -0.036 0.000 0.197 264 E C 1.608 178.221 176.600 0.021 0.000 1.007 264 E CA 0.722 57.129 56.400 0.011 0.000 0.849 264 E CB -1.021 28.684 29.700 0.008 0.000 0.774 264 E HN 0.340 nan 8.360 nan 0.000 0.506 265 L N 0.546 121.781 121.223 0.020 0.000 2.554 265 L HA 0.126 4.444 4.340 -0.036 0.000 0.226 265 L C 2.392 179.284 176.870 0.038 0.000 1.137 265 L CA 0.012 54.869 54.840 0.028 0.000 0.863 265 L CB -0.308 41.766 42.059 0.025 0.000 0.985 265 L HN 0.026 nan 8.230 nan 0.000 0.451 266 I N 0.759 121.352 120.570 0.039 0.000 2.226 266 I HA -0.199 3.949 4.170 -0.036 0.000 0.245 266 I C -0.204 175.954 176.117 0.068 0.000 1.100 266 I CA 1.468 62.798 61.300 0.051 0.000 1.374 266 I CB -1.261 36.768 38.000 0.047 0.000 1.057 266 I HN 0.214 nan 8.210 nan 0.000 0.413 267 P HA -0.213 nan 4.420 nan 0.000 0.215 267 P C 1.507 178.860 177.300 0.089 0.000 1.157 267 P CA 1.989 65.140 63.100 0.085 0.000 0.874 267 P CB -0.035 31.710 31.700 0.074 0.000 0.790 268 A N -0.386 122.476 122.820 0.070 0.000 1.933 268 A HA -0.087 4.211 4.320 -0.036 0.000 0.218 268 A C 2.482 180.102 177.584 0.060 0.000 1.175 268 A CA 2.061 54.136 52.037 0.065 0.000 0.628 268 A CB -1.869 17.160 19.000 0.049 0.000 0.814 268 A HN 0.282 nan 8.150 nan 0.000 0.444 269 G N -0.535 108.299 108.800 0.057 0.000 2.421 269 G HA2 -0.134 3.804 3.960 -0.036 0.000 0.216 269 G HA3 -0.134 3.804 3.960 -0.036 0.000 0.216 269 G C 1.507 176.453 174.900 0.076 0.000 1.171 269 G CA 1.237 46.369 45.100 0.054 0.000 0.775 269 G HN 0.317 nan 8.290 nan 0.000 0.543 270 V N 0.600 120.580 119.914 0.110 0.000 2.407 270 V HA -0.133 3.965 4.120 -0.036 0.000 0.248 270 V C 2.685 178.872 176.094 0.154 0.000 1.055 270 V CA 2.208 64.613 62.300 0.176 0.000 1.049 270 V CB -0.250 31.698 31.823 0.209 0.000 0.662 270 V HN 0.375 nan 8.190 nan 0.000 0.455 271 E N 0.022 120.291 120.200 0.115 0.000 2.110 271 E HA -0.180 4.148 4.350 -0.036 0.000 0.193 271 E C 2.278 178.860 176.600 -0.029 0.000 0.988 271 E CA 1.060 57.519 56.400 0.098 0.000 0.804 271 E CB -0.134 29.661 29.700 0.158 0.000 0.745 271 E HN 0.493 nan 8.360 nan 0.000 0.458 272 E N -0.065 120.120 120.200 -0.024 0.000 2.072 272 E HA -0.124 4.205 4.350 -0.036 0.000 0.191 272 E C 2.246 178.785 176.600 -0.101 0.000 0.985 272 E CA 0.650 56.989 56.400 -0.102 0.000 0.801 272 E CB -0.203 29.457 29.700 -0.066 0.000 0.750 272 E HN 0.339 nan 8.360 nan 0.000 0.452 273 L N 0.478 121.710 121.223 0.014 0.000 2.083 273 L HA -0.184 4.135 4.340 -0.036 0.000 0.209 273 L C 2.598 179.587 176.870 0.198 0.000 1.083 273 L CA 0.748 55.654 54.840 0.111 0.000 0.752 273 L CB -0.442 41.715 42.059 0.164 0.000 0.899 273 L HN 0.101 nan 8.230 nan 0.000 0.433 274 L N -0.559 120.694 121.223 0.050 0.000 2.012 274 L HA -0.256 4.062 4.340 -0.036 0.000 0.210 274 L C 2.870 179.419 176.870 -0.534 0.000 1.073 274 L CA 1.391 55.986 54.840 -0.409 0.000 0.748 274 L CB -0.516 41.117 42.059 -0.710 0.000 0.891 274 L HN 0.244 nan 8.230 nan 0.000 0.431 275 R N 0.990 121.109 120.500 -0.635 0.000 2.091 275 R HA -0.197 4.121 4.340 -0.036 0.000 0.238 275 R C 2.119 178.196 176.300 -0.372 0.000 1.136 275 R CA 2.086 57.828 56.100 -0.595 0.000 0.959 275 R CB -0.353 29.584 30.300 -0.606 0.000 0.856 275 R HN 0.566 nan 8.270 nan 0.000 0.437 276 I N -0.480 119.922 120.570 -0.279 0.000 3.793 276 I HA 0.109 4.257 4.170 -0.036 0.000 0.315 276 I C -0.165 176.068 176.117 0.193 0.000 1.275 276 I CA -0.482 60.707 61.300 -0.185 0.000 1.214 276 I CB -0.525 37.360 38.000 -0.191 0.000 1.018 276 I HN 0.046 nan 8.210 nan 0.000 0.439 277 N N 1.804 120.580 118.700 0.126 0.000 2.492 277 N HA 0.118 4.836 4.740 -0.036 0.000 0.262 277 N C 0.064 175.702 175.510 0.213 0.000 1.202 277 N CA -0.173 53.006 53.050 0.216 0.000 0.926 277 N CB 0.868 39.560 38.487 0.341 0.000 1.078 277 N HN 0.361 nan 8.380 nan 0.000 0.454 278 L N 2.043 123.376 121.223 0.183 0.000 2.872 278 L HA 0.322 4.641 4.340 -0.036 0.000 0.245 278 L C 1.732 178.683 176.870 0.134 0.000 1.211 278 L CA -0.259 54.654 54.840 0.122 0.000 1.013 278 L CB -0.274 41.794 42.059 0.015 0.000 1.326 278 L HN 0.823 nan 8.230 nan 0.000 0.525 279 A N 0.064 123.006 122.820 0.203 0.000 1.969 279 A HA -0.078 4.221 4.320 -0.036 0.000 0.218 279 A C 0.762 178.419 177.584 0.122 0.000 1.169 279 A CA 0.792 52.940 52.037 0.184 0.000 0.635 279 A CB -0.353 18.776 19.000 0.214 0.000 0.810 279 A HN 0.239 nan 8.150 nan 0.000 0.445 280 F N -0.076 119.886 119.950 0.020 0.000 2.502 280 F HA 0.355 4.859 4.527 -0.039 0.000 0.371 280 F C 1.463 177.256 175.800 -0.012 0.000 1.083 280 F CA 0.010 58.004 58.000 -0.011 0.000 1.174 280 F CB 0.938 39.918 39.000 -0.032 0.000 1.096 280 F HN 0.176 nan 8.300 nan 0.000 0.545 281 A N 2.562 125.401 122.820 0.032 0.000 2.016 281 A HA 0.039 4.337 4.320 -0.036 0.000 0.217 281 A C 0.486 178.068 177.584 -0.002 0.000 1.162 281 A CA 0.791 52.838 52.037 0.017 0.000 0.662 281 A CB -0.201 18.803 19.000 0.006 0.000 0.812 281 A HN 0.610 nan 8.150 nan 0.000 0.450 282 D N -1.571 118.841 120.400 0.020 0.000 2.547 282 D HA 0.446 5.064 4.640 -0.036 0.000 0.231 282 D C 0.102 176.417 176.300 0.024 0.000 1.099 282 D CA -0.127 53.861 54.000 -0.020 0.000 0.901 282 D CB 1.390 42.172 40.800 -0.031 0.000 1.478 282 D HN 0.157 nan 8.370 nan 0.000 0.471 283 G N 0.209 108.990 108.800 -0.032 0.000 2.559 283 G HA2 0.281 4.219 3.960 -0.036 0.000 0.235 283 G HA3 0.281 4.219 3.960 -0.036 0.000 0.235 283 G C 0.287 175.192 174.900 0.009 0.000 1.266 283 G CA -0.393 44.696 45.100 -0.018 0.000 0.847 283 G HN 0.356 nan 8.290 nan 0.000 0.583 284 L N 3.358 124.579 121.223 -0.004 0.000 2.418 284 L HA 0.211 4.530 4.340 -0.036 0.000 0.274 284 L C -1.614 175.248 176.870 -0.014 0.000 1.135 284 L CA -1.417 53.423 54.840 -0.001 0.000 0.870 284 L CB 0.928 42.962 42.059 -0.041 0.000 1.154 284 L HN 0.362 nan 8.230 nan 0.000 0.462 285 P HA 0.361 nan 4.420 nan 0.000 0.284 285 P C -0.993 176.309 177.300 0.003 0.000 1.253 285 P CA -0.606 62.489 63.100 -0.008 0.000 0.800 285 P CB 1.521 33.212 31.700 -0.016 0.000 0.961 286 R N 1.752 122.274 120.500 0.036 0.000 2.698 286 R HA 0.548 4.866 4.340 -0.036 0.000 0.275 286 R C -1.021 175.360 176.300 0.135 0.000 1.001 286 R CA -1.118 55.036 56.100 0.090 0.000 0.896 286 R CB 1.611 31.994 30.300 0.139 0.000 1.218 286 R HN 0.425 nan 8.270 nan 0.000 0.462 287 L N 1.399 122.703 121.223 0.135 0.000 2.307 287 L HA 0.588 4.907 4.340 -0.036 0.000 0.284 287 L C -0.144 176.822 176.870 0.159 0.000 1.023 287 L CA -0.319 54.603 54.840 0.136 0.000 0.810 287 L CB 1.722 43.825 42.059 0.073 0.000 1.231 287 L HN 0.839 nan 8.230 nan 0.000 0.423 288 A N 2.192 125.123 122.820 0.185 0.000 2.488 288 A HA 0.394 4.692 4.320 -0.036 0.000 0.249 288 A C 0.937 178.504 177.584 -0.028 0.000 1.083 288 A CA 0.448 52.511 52.037 0.042 0.000 0.768 288 A CB -0.104 18.948 19.000 0.086 0.000 1.017 288 A HN 0.871 nan 8.150 nan 0.000 0.496 289 T N -0.911 113.579 114.554 -0.108 0.000 3.092 289 T HA 0.583 4.911 4.350 -0.036 0.000 0.258 289 T C 0.310 174.956 174.700 -0.091 0.000 1.031 289 T CA 0.536 62.592 62.100 -0.073 0.000 0.925 289 T CB -0.271 68.559 68.868 -0.062 0.000 1.036 289 T HN 1.715 nan 8.240 nan 0.000 0.544 290 A N 0.511 123.253 122.820 -0.131 0.000 2.599 290 A HA 0.615 4.913 4.320 -0.036 0.000 0.290 290 A C -1.907 175.609 177.584 -0.112 0.000 1.101 290 A CA -0.948 51.020 52.037 -0.116 0.000 0.674 290 A CB 0.794 19.709 19.000 -0.142 0.000 1.277 290 A HN 0.173 nan 8.150 nan 0.000 0.419 291 D N 0.876 121.231 120.400 -0.074 0.000 2.317 291 D HA 0.560 5.179 4.640 -0.036 0.000 0.252 291 D C -0.594 175.658 176.300 -0.081 0.000 1.174 291 D CA 0.862 54.829 54.000 -0.055 0.000 0.866 291 D CB 0.583 41.366 40.800 -0.028 0.000 1.127 291 D HN 0.403 nan 8.370 nan 0.000 0.467 292 I N 1.736 122.260 120.570 -0.077 0.000 2.533 292 I HA 0.122 4.270 4.170 -0.036 0.000 0.290 292 I C -0.192 175.927 176.117 0.004 0.000 1.056 292 I CA -1.076 60.187 61.300 -0.061 0.000 1.057 292 I CB 2.148 40.044 38.000 -0.173 0.000 1.240 292 I HN 0.017 nan 8.210 nan 0.000 0.423 293 Q N 4.854 124.651 119.800 -0.004 0.000 2.296 293 Q HA 0.413 4.731 4.340 -0.036 0.000 0.262 293 Q C -1.331 174.670 176.000 0.003 0.000 0.981 293 Q CA 0.055 55.844 55.803 -0.022 0.000 0.905 293 Q CB 1.105 29.828 28.738 -0.025 0.000 1.186 293 Q HN 0.487 nan 8.270 nan 0.000 0.399 294 V N 5.447 125.329 119.914 -0.054 0.000 2.380 294 V HA 0.661 4.759 4.120 -0.036 0.000 0.286 294 V C 0.779 176.811 176.094 -0.103 0.000 1.015 294 V CA 0.059 62.318 62.300 -0.069 0.000 0.834 294 V CB 0.453 32.205 31.823 -0.119 0.000 1.009 294 V HN 1.054 nan 8.190 nan 0.000 0.428 295 G N 4.858 113.621 108.800 -0.062 0.000 2.611 295 G HA2 -0.280 3.659 3.960 -0.036 0.000 0.301 295 G HA3 -0.280 3.659 3.960 -0.036 0.000 0.301 295 G C 0.388 175.250 174.900 -0.062 0.000 1.233 295 G CA 0.669 45.737 45.100 -0.053 0.000 0.993 295 G HN 0.615 nan 8.290 nan 0.000 0.553 296 D N 0.396 120.757 120.400 -0.064 0.000 2.340 296 D HA 0.278 4.896 4.640 -0.036 0.000 0.220 296 D C 0.728 176.966 176.300 -0.103 0.000 1.039 296 D CA 0.588 54.552 54.000 -0.060 0.000 0.866 296 D CB 0.436 41.218 40.800 -0.030 0.000 0.913 296 D HN 0.287 nan 8.370 nan 0.000 0.523 297 V N 1.674 121.475 119.914 -0.187 0.000 2.459 297 V HA 0.195 4.293 4.120 -0.036 0.000 0.295 297 V C -0.188 175.730 176.094 -0.293 0.000 1.029 297 V CA -0.985 61.116 62.300 -0.331 0.000 0.874 297 V CB 2.376 33.775 31.823 -0.706 0.000 0.985 297 V HN -0.086 nan 8.190 nan 0.000 0.438 298 L N 7.051 128.141 121.223 -0.220 0.000 2.312 298 L HA 0.423 4.741 4.340 -0.036 0.000 0.287 298 L C -0.049 176.712 176.870 -0.182 0.000 1.091 298 L CA 0.383 55.135 54.840 -0.146 0.000 0.846 298 L CB 0.919 42.938 42.059 -0.066 0.000 1.219 298 L HN 0.467 nan 8.230 nan 0.000 0.439 299 V N 6.162 125.952 119.914 -0.207 0.000 2.521 299 V HA 0.302 4.401 4.120 -0.036 0.000 0.286 299 V C 0.694 176.807 176.094 0.033 0.000 1.034 299 V CA -0.462 61.761 62.300 -0.128 0.000 1.045 299 V CB 0.349 32.163 31.823 -0.016 0.000 0.974 299 V HN 0.616 nan 8.190 nan 0.000 0.480 300 R N 3.425 124.000 120.500 0.126 0.000 2.486 300 R HA 0.339 4.658 4.340 -0.036 0.000 0.286 300 R C 0.102 176.456 176.300 0.089 0.000 0.999 300 R CA -0.970 55.187 56.100 0.094 0.000 0.993 300 R CB 0.881 31.249 30.300 0.115 0.000 1.084 300 R HN 0.674 nan 8.270 nan 0.000 0.487 301 K N 0.435 120.857 120.400 0.037 0.000 2.530 301 K HA -0.079 4.220 4.320 -0.036 0.000 0.280 301 K C 0.708 177.338 176.600 0.049 0.000 1.004 301 K CA 1.587 57.887 56.287 0.021 0.000 1.071 301 K CB 0.035 32.535 32.500 -0.001 0.000 0.876 301 K HN 0.802 nan 8.250 nan 0.000 0.487 302 G N 2.671 111.503 108.800 0.052 0.000 2.195 302 G HA2 -0.249 3.689 3.960 -0.036 0.000 0.246 302 G HA3 -0.249 3.689 3.960 -0.036 0.000 0.246 302 G C -0.281 174.668 174.900 0.082 0.000 0.984 302 G CA 0.232 45.365 45.100 0.055 0.000 0.633 302 G HN 0.680 nan 8.290 nan 0.000 0.525 303 E N -0.199 120.082 120.200 0.135 0.000 2.319 303 E HA 0.568 4.897 4.350 -0.036 0.000 0.268 303 E C -0.212 176.506 176.600 0.197 0.000 1.050 303 E CA -0.811 55.699 56.400 0.182 0.000 0.878 303 E CB 1.811 31.709 29.700 0.331 0.000 1.066 303 E HN 0.235 nan 8.360 nan 0.000 0.406 304 L N 2.579 123.889 121.223 0.145 0.000 2.312 304 L HA 0.333 4.651 4.340 -0.036 0.000 0.281 304 L C -1.165 175.812 176.870 0.178 0.000 1.070 304 L CA -0.407 54.504 54.840 0.118 0.000 0.805 304 L CB 1.410 43.488 42.059 0.031 0.000 1.174 304 L HN 0.241 nan 8.230 nan 0.000 0.434 305 V N 6.058 126.065 119.914 0.155 0.000 2.656 305 V HA 0.502 4.600 4.120 -0.036 0.000 0.307 305 V C -0.413 175.699 176.094 0.029 0.000 1.051 305 V CA -0.624 61.749 62.300 0.122 0.000 0.893 305 V CB 1.818 33.650 31.823 0.014 0.000 0.999 305 V HN 0.612 nan 8.190 nan 0.000 0.426 306 L N 4.456 125.687 121.223 0.014 0.000 2.349 306 L HA 0.583 4.901 4.340 -0.036 0.000 0.278 306 L C -0.720 176.128 176.870 -0.035 0.000 0.996 306 L CA -0.793 54.036 54.840 -0.019 0.000 0.825 306 L CB 2.062 44.102 42.059 -0.032 0.000 1.243 306 L HN 0.357 nan 8.230 nan 0.000 0.412 307 V N 4.611 124.493 119.914 -0.053 0.000 2.334 307 V HA 0.169 4.267 4.120 -0.036 0.000 0.267 307 V C 0.105 176.171 176.094 -0.046 0.000 1.040 307 V CA -0.395 61.865 62.300 -0.066 0.000 0.866 307 V CB 1.435 33.202 31.823 -0.094 0.000 1.019 307 V HN 0.438 nan 8.190 nan 0.000 0.468 308 L N 6.171 127.380 121.223 -0.024 0.000 2.342 308 L HA 0.281 4.599 4.340 -0.036 0.000 0.285 308 L C 1.080 177.959 176.870 0.015 0.000 1.095 308 L CA 0.625 55.465 54.840 -0.001 0.000 0.843 308 L CB 0.399 42.475 42.059 0.030 0.000 1.201 308 L HN 0.560 nan 8.230 nan 0.000 0.445 309 L N 3.597 124.819 121.223 -0.002 0.000 2.042 309 L HA -0.162 4.157 4.340 -0.036 0.000 0.210 309 L C 2.245 179.175 176.870 0.100 0.000 1.076 309 L CA 1.414 56.253 54.840 -0.002 0.000 0.749 309 L CB -0.540 41.464 42.059 -0.093 0.000 0.893 309 L HN 0.772 nan 8.230 nan 0.000 0.432 310 E N 0.660 120.939 120.200 0.132 0.000 2.274 310 E HA -0.129 4.200 4.350 -0.036 0.000 0.194 310 E C 2.028 178.786 176.600 0.264 0.000 0.996 310 E CA 1.178 57.730 56.400 0.253 0.000 0.840 310 E CB -0.416 29.341 29.700 0.095 0.000 0.772 310 E HN 0.423 nan 8.360 nan 0.000 0.491 311 G N 1.818 110.718 108.800 0.165 0.000 2.459 311 G HA2 -0.260 3.678 3.960 -0.036 0.000 0.217 311 G HA3 -0.260 3.678 3.960 -0.036 0.000 0.217 311 G C 1.796 176.829 174.900 0.222 0.000 1.183 311 G CA 1.730 46.929 45.100 0.165 0.000 0.776 311 G HN 0.485 nan 8.290 nan 0.000 0.552 312 A N 0.894 123.835 122.820 0.202 0.000 1.872 312 A HA -0.012 4.286 4.320 -0.036 0.000 0.214 312 A C 2.233 180.100 177.584 0.472 0.000 1.187 312 A CA 1.741 53.937 52.037 0.264 0.000 0.614 312 A CB -0.349 18.697 19.000 0.076 0.000 0.826 312 A HN 0.334 nan 8.150 nan 0.000 0.442 313 N N -1.177 117.776 118.700 0.422 0.000 2.409 313 N HA 0.019 4.737 4.740 -0.036 0.000 0.179 313 N C 0.281 175.950 175.510 0.265 0.000 1.032 313 N CA 0.811 54.102 53.050 0.402 0.000 0.898 313 N CB -0.235 38.368 38.487 0.195 0.000 0.971 313 N HN 0.464 nan 8.380 nan 0.000 0.441 314 F N 0.383 120.472 119.950 0.231 0.000 2.639 314 F HA 0.186 4.692 4.527 -0.035 0.000 0.302 314 F C 0.606 176.529 175.800 0.206 0.000 1.097 314 F CA -0.931 57.177 58.000 0.181 0.000 1.294 314 F CB 0.168 39.229 39.000 0.103 0.000 1.027 314 F HN -0.229 nan 8.300 nan 0.000 0.550 315 D N 3.000 123.636 120.400 0.394 0.000 2.346 315 D HA 0.046 4.665 4.640 -0.036 0.000 0.260 315 D C -1.513 174.915 176.300 0.213 0.000 1.252 315 D CA -1.992 52.172 54.000 0.274 0.000 0.895 315 D CB 1.373 42.333 40.800 0.267 0.000 1.097 315 D HN 0.053 nan 8.370 nan 0.000 0.489 316 P HA -0.089 nan 4.420 nan 0.000 0.226 316 P C 0.980 178.307 177.300 0.045 0.000 1.153 316 P CA 0.464 63.629 63.100 0.108 0.000 0.777 316 P CB 0.455 32.209 31.700 0.091 0.000 0.794 317 E N -1.005 119.218 120.200 0.038 0.000 2.153 317 E HA -0.199 4.129 4.350 -0.036 0.000 0.194 317 E C 1.983 178.525 176.600 -0.096 0.000 0.988 317 E CA 1.380 57.774 56.400 -0.010 0.000 0.811 317 E CB -1.095 28.616 29.700 0.017 0.000 0.746 317 E HN 0.599 nan 8.360 nan 0.000 0.466 318 H N -2.211 116.688 119.070 -0.285 0.000 2.557 318 H HA 0.324 4.859 4.556 -0.035 0.000 0.281 318 H C -0.106 174.819 175.328 -0.673 0.000 0.990 318 H CA 0.414 56.079 56.048 -0.639 0.000 1.278 318 H CB 0.495 29.546 29.762 -1.184 0.000 1.451 318 H HN 0.213 nan 8.280 nan 0.000 0.516 319 F N 1.826 121.729 119.950 -0.079 0.000 2.686 319 F HA 0.348 4.852 4.527 -0.037 0.000 0.365 319 F C -2.448 173.320 175.800 -0.054 0.000 1.196 319 F CA -2.605 55.347 58.000 -0.081 0.000 1.198 319 F CB 1.422 40.407 39.000 -0.024 0.000 1.454 319 F HN -0.017 nan 8.300 nan 0.000 0.539 320 P HA -0.072 nan 4.420 nan 0.000 0.266 320 P C 0.125 177.461 177.300 0.059 0.000 1.195 320 P CA 0.414 63.544 63.100 0.049 0.000 0.768 320 P CB 0.423 32.128 31.700 0.009 0.000 0.838 321 N N 2.536 121.267 118.700 0.053 0.000 2.696 321 N HA -0.137 4.581 4.740 -0.036 0.000 0.256 321 N C -1.354 174.178 175.510 0.037 0.000 1.031 321 N CA 0.298 53.376 53.050 0.046 0.000 0.730 321 N CB -0.725 37.780 38.487 0.029 0.000 0.894 321 N HN 0.293 nan 8.380 nan 0.000 0.544 322 P HA -0.068 nan 4.420 nan 0.000 0.219 322 P C 1.367 178.583 177.300 -0.141 0.000 1.146 322 P CA 1.700 64.794 63.100 -0.011 0.000 0.808 322 P CB -0.210 31.558 31.700 0.113 0.000 0.779 323 G N -0.778 108.045 108.800 0.040 0.000 2.813 323 G HA2 -0.020 3.918 3.960 -0.036 0.000 0.209 323 G HA3 -0.020 3.918 3.960 -0.036 0.000 0.209 323 G C 0.504 175.415 174.900 0.019 0.000 1.150 323 G CA 0.083 45.241 45.100 0.097 0.000 0.785 323 G HN 0.229 nan 8.290 nan 0.000 0.535 324 S N 0.102 115.792 115.700 -0.017 0.000 2.499 324 S HA 0.441 4.889 4.470 -0.036 0.000 0.279 324 S C 0.075 174.642 174.600 -0.054 0.000 1.219 324 S CA -0.459 57.731 58.200 -0.017 0.000 1.062 324 S CB 1.414 64.614 63.200 0.000 0.000 0.978 324 S HN 0.144 nan 8.310 nan 0.000 0.489 325 I N 3.666 124.213 120.570 -0.039 0.000 2.436 325 I HA 0.137 4.285 4.170 -0.036 0.000 0.289 325 I C 0.304 176.406 176.117 -0.025 0.000 1.083 325 I CA 0.412 61.685 61.300 -0.045 0.000 1.372 325 I CB 0.320 38.305 38.000 -0.024 0.000 1.408 325 I HN 0.562 nan 8.210 nan 0.000 0.516 326 E N 6.822 127.004 120.200 -0.030 0.000 2.241 326 E HA 0.292 4.620 4.350 -0.036 0.000 0.263 326 E C 0.020 176.618 176.600 -0.003 0.000 0.882 326 E CA -0.520 55.874 56.400 -0.010 0.000 0.769 326 E CB 2.209 31.906 29.700 -0.006 0.000 1.185 326 E HN 0.577 nan 8.360 nan 0.000 0.415 327 L N 1.879 123.106 121.223 0.008 0.000 2.591 327 L HA 0.039 4.357 4.340 -0.036 0.000 0.228 327 L C 0.585 177.468 176.870 0.023 0.000 1.133 327 L CA 0.434 55.285 54.840 0.017 0.000 0.880 327 L CB -0.199 41.872 42.059 0.020 0.000 1.033 327 L HN 0.475 nan 8.230 nan 0.000 0.450 328 D N -1.185 119.227 120.400 0.020 0.000 2.696 328 D HA 0.070 4.689 4.640 -0.036 0.000 0.269 328 D C 0.463 176.777 176.300 0.024 0.000 1.319 328 D CA -0.395 53.617 54.000 0.021 0.000 0.826 328 D CB 0.118 40.928 40.800 0.016 0.000 1.086 328 D HN 0.024 nan 8.370 nan 0.000 0.481 329 R N 1.298 121.818 120.500 0.034 0.000 2.594 329 R HA 0.233 4.551 4.340 -0.036 0.000 0.272 329 R C -1.316 175.010 176.300 0.044 0.000 1.074 329 R CA -1.058 55.069 56.100 0.045 0.000 1.105 329 R CB 0.708 31.056 30.300 0.080 0.000 1.008 329 R HN 0.035 nan 8.270 nan 0.000 0.472 330 P HA -0.057 nan 4.420 nan 0.000 0.236 330 P C -0.546 176.766 177.300 0.021 0.000 1.177 330 P CA 1.035 64.141 63.100 0.011 0.000 0.773 330 P CB 0.053 31.741 31.700 -0.019 0.000 0.878 331 N N -0.782 117.948 118.700 0.050 0.000 2.599 331 N HA 0.198 4.917 4.740 -0.036 0.000 0.309 331 N C -1.781 173.876 175.510 0.245 0.000 1.743 331 N CA -1.507 51.599 53.050 0.093 0.000 0.918 331 N CB 0.535 38.997 38.487 -0.041 0.000 1.339 331 N HN -0.026 nan 8.380 nan 0.000 0.493 332 P HA -0.123 nan 4.420 nan 0.000 0.219 332 P C 1.210 178.662 177.300 0.254 0.000 1.150 332 P CA 1.448 64.670 63.100 0.204 0.000 0.814 332 P CB 0.109 31.886 31.700 0.129 0.000 0.787 333 T N -3.547 111.113 114.554 0.177 0.000 3.086 333 T HA 0.072 4.400 4.350 -0.036 0.000 0.250 333 T C 1.541 176.192 174.700 -0.081 0.000 1.074 333 T CA 0.458 62.590 62.100 0.054 0.000 0.988 333 T CB -0.932 67.975 68.868 0.064 0.000 0.988 333 T HN 0.126 nan 8.240 nan 0.000 0.530 334 S N 0.996 116.801 115.700 0.176 0.000 2.603 334 S HA 0.043 4.492 4.470 -0.036 0.000 0.220 334 S C 0.691 175.547 174.600 0.426 0.000 0.967 334 S CA -0.503 57.859 58.200 0.270 0.000 0.920 334 S CB -1.054 62.373 63.200 0.378 0.000 0.773 334 S HN 0.908 nan 8.310 nan 0.000 0.529 335 H N 0.479 119.879 119.070 0.551 0.000 2.703 335 H HA 0.436 4.970 4.556 -0.037 0.000 0.377 335 H C 0.542 176.021 175.328 0.251 0.000 1.392 335 H CA -0.773 55.552 56.048 0.462 0.000 1.458 335 H CB 0.195 30.030 29.762 0.123 0.000 1.529 335 H HN 0.121 nan 8.280 nan 0.000 0.619 336 L N 0.745 122.175 121.223 0.346 0.000 2.872 336 L HA 0.326 4.644 4.340 -0.036 0.000 0.245 336 L C 1.859 178.763 176.870 0.056 0.000 1.211 336 L CA 0.244 55.171 54.840 0.145 0.000 1.013 336 L CB -0.209 41.852 42.059 0.004 0.000 1.326 336 L HN 0.893 nan 8.230 nan 0.000 0.525 337 A N 0.241 123.158 122.820 0.162 0.000 1.978 337 A HA -0.129 4.170 4.320 -0.036 0.000 0.220 337 A C 1.626 178.900 177.584 -0.517 0.000 1.170 337 A CA 1.557 53.406 52.037 -0.314 0.000 0.636 337 A CB -0.441 18.174 19.000 -0.640 0.000 0.810 337 A HN 0.465 nan 8.150 nan 0.000 0.448 338 F N -0.799 119.061 119.950 -0.150 0.000 2.641 338 F HA 0.410 4.915 4.527 -0.037 0.000 0.302 338 F C 1.586 177.092 175.800 -0.491 0.000 1.098 338 F CA 0.296 58.043 58.000 -0.421 0.000 1.318 338 F CB 0.201 38.821 39.000 -0.633 0.000 1.035 338 F HN 0.489 nan 8.300 nan 0.000 0.551 339 G N 1.478 110.198 108.800 -0.132 0.000 2.593 339 G HA2 -0.164 3.775 3.960 -0.036 0.000 0.237 339 G HA3 -0.164 3.775 3.960 -0.036 0.000 0.237 339 G C -0.843 174.164 174.900 0.178 0.000 1.312 339 G CA -0.437 44.634 45.100 -0.049 0.000 0.896 339 G HN 0.455 nan 8.290 nan 0.000 0.574 340 R N -0.928 119.701 120.500 0.214 0.000 2.664 340 R HA 0.669 4.988 4.340 -0.036 0.000 0.260 340 R C 0.624 177.026 176.300 0.169 0.000 1.062 340 R CA 1.635 57.881 56.100 0.243 0.000 0.902 340 R CB 0.827 31.171 30.300 0.074 0.000 1.258 340 R HN 2.904 nan 8.270 nan 0.000 0.465 341 G N 2.284 111.157 108.800 0.122 0.000 2.499 341 G HA2 -0.343 3.596 3.960 -0.036 0.000 0.232 341 G HA3 -0.343 3.596 3.960 -0.036 0.000 0.232 341 G C 0.327 175.256 174.900 0.050 0.000 1.251 341 G CA 0.507 45.641 45.100 0.056 0.000 0.917 341 G HN 0.730 nan 8.290 nan 0.000 0.580 342 Q N -0.715 119.066 119.800 -0.032 0.000 2.135 342 Q HA -0.082 4.236 4.340 -0.036 0.000 0.204 342 Q C 1.849 177.676 176.000 -0.288 0.000 0.981 342 Q CA 2.636 58.318 55.803 -0.203 0.000 0.856 342 Q CB -0.225 28.300 28.738 -0.356 0.000 0.902 342 Q HN 0.727 nan 8.270 nan 0.000 0.425 343 H N -1.076 118.058 119.070 0.106 0.000 2.487 343 H HA 0.111 4.647 4.556 -0.033 0.000 0.290 343 H C -0.701 174.691 175.328 0.107 0.000 1.081 343 H CA -0.538 55.567 56.048 0.095 0.000 1.116 343 H CB -0.544 29.253 29.762 0.059 0.000 1.560 343 H HN 0.195 nan 8.280 nan 0.000 0.548 344 F N 2.036 122.032 119.950 0.076 0.000 2.635 344 F HA -0.094 4.411 4.527 -0.036 0.000 0.379 344 F C 0.934 176.775 175.800 0.068 0.000 1.094 344 F CA -0.342 57.696 58.000 0.062 0.000 1.300 344 F CB 0.445 39.459 39.000 0.024 0.000 1.035 344 F HN 0.186 nan 8.300 nan 0.000 0.581 345 C N 10.370 129.310 119.300 -0.599 0.000 2.517 345 C HA 0.066 4.505 4.460 -0.036 0.000 0.403 345 C C -0.698 174.184 174.990 -0.179 0.000 1.467 345 C CA -1.055 57.758 59.018 -0.341 0.000 1.542 345 C CB -0.446 27.103 27.740 -0.318 0.000 2.482 345 C HN 0.770 nan 8.230 nan 0.000 0.610 346 P HA 0.103 nan 4.420 nan 0.000 0.241 346 P C 0.936 178.276 177.300 0.068 0.000 1.191 346 P CA 1.312 64.477 63.100 0.108 0.000 0.771 346 P CB 0.030 31.865 31.700 0.226 0.000 0.929 347 G N 0.400 109.192 108.800 -0.013 0.000 3.502 347 G HA2 0.033 3.971 3.960 -0.036 0.000 0.267 347 G HA3 0.033 3.971 3.960 -0.036 0.000 0.267 347 G C 1.387 176.193 174.900 -0.157 0.000 1.090 347 G CA 0.430 45.528 45.100 -0.003 0.000 0.795 347 G HN 0.327 nan 8.290 nan 0.000 0.535 348 S N 0.881 116.336 115.700 -0.407 0.000 2.370 348 S HA -0.066 4.382 4.470 -0.036 0.000 0.226 348 S C 2.570 176.862 174.600 -0.513 0.000 1.033 348 S CA 1.492 59.066 58.200 -1.043 0.000 1.011 348 S CB -0.377 62.029 63.200 -1.323 0.000 0.852 348 S HN 0.465 nan 8.310 nan 0.000 0.457 349 A N 1.636 124.332 122.820 -0.206 0.000 1.898 349 A HA 0.130 4.428 4.320 -0.036 0.000 0.216 349 A C 2.256 179.841 177.584 0.002 0.000 1.181 349 A CA 1.498 53.498 52.037 -0.060 0.000 0.620 349 A CB -0.873 18.119 19.000 -0.014 0.000 0.819 349 A HN 0.528 nan 8.150 nan 0.000 0.442 350 L N 0.114 121.339 121.223 0.004 0.000 2.056 350 L HA 0.019 4.337 4.340 -0.036 0.000 0.207 350 L C 2.389 179.327 176.870 0.113 0.000 1.078 350 L CA 2.170 57.039 54.840 0.049 0.000 0.749 350 L CB -1.045 41.031 42.059 0.028 0.000 0.901 350 L HN 0.303 nan 8.230 nan 0.000 0.433 351 G N -0.778 108.092 108.800 0.116 0.000 2.446 351 G HA2 -0.275 3.663 3.960 -0.036 0.000 0.217 351 G HA3 -0.275 3.663 3.960 -0.036 0.000 0.217 351 G C 1.760 176.848 174.900 0.313 0.000 1.168 351 G CA 0.821 46.065 45.100 0.239 0.000 0.771 351 G HN 0.373 nan 8.290 nan 0.000 0.551 352 R N -0.498 120.159 120.500 0.261 0.000 2.083 352 R HA -0.072 4.247 4.340 -0.036 0.000 0.237 352 R C 2.880 179.314 176.300 0.223 0.000 1.137 352 R CA 1.403 57.660 56.100 0.262 0.000 0.951 352 R CB -0.334 30.087 30.300 0.202 0.000 0.851 352 R HN 0.260 nan 8.270 nan 0.000 0.434 353 R N -0.099 120.506 120.500 0.175 0.000 2.092 353 R HA -0.110 4.209 4.340 -0.036 0.000 0.231 353 R C 2.265 178.665 176.300 0.165 0.000 1.119 353 R CA 1.695 57.881 56.100 0.143 0.000 0.970 353 R CB -1.073 29.291 30.300 0.107 0.000 0.864 353 R HN 0.550 nan 8.270 nan 0.000 0.440 354 H N -0.333 118.801 119.070 0.106 0.000 2.353 354 H HA -0.008 4.527 4.556 -0.036 0.000 0.300 354 H C 1.914 177.301 175.328 0.098 0.000 1.090 354 H CA 2.014 58.116 56.048 0.089 0.000 1.327 354 H CB -0.263 29.564 29.762 0.107 0.000 1.383 354 H HN 0.434 nan 8.280 nan 0.000 0.508 355 A N 0.794 123.761 122.820 0.245 0.000 1.897 355 A HA -0.132 4.166 4.320 -0.036 0.000 0.215 355 A C 2.482 180.124 177.584 0.097 0.000 1.181 355 A CA 1.233 53.383 52.037 0.189 0.000 0.620 355 A CB -0.455 18.825 19.000 0.466 0.000 0.821 355 A HN 0.547 nan 8.150 nan 0.000 0.443 356 Q N -0.460 119.415 119.800 0.126 0.000 2.050 356 Q HA -0.091 4.228 4.340 -0.036 0.000 0.202 356 Q C 1.993 178.020 176.000 0.045 0.000 0.980 356 Q CA 1.633 57.490 55.803 0.091 0.000 0.840 356 Q CB -0.299 28.499 28.738 0.100 0.000 0.898 356 Q HN 0.729 nan 8.270 nan 0.000 0.424 357 I N 0.095 120.679 120.570 0.022 0.000 2.252 357 I HA -0.178 3.970 4.170 -0.036 0.000 0.245 357 I C 2.309 178.415 176.117 -0.020 0.000 1.102 357 I CA 1.091 62.389 61.300 -0.003 0.000 1.385 357 I CB -0.536 37.459 38.000 -0.008 0.000 1.064 357 I HN 0.280 nan 8.210 nan 0.000 0.414 358 G N 1.077 109.825 108.800 -0.087 0.000 2.418 358 G HA2 -0.189 3.749 3.960 -0.036 0.000 0.217 358 G HA3 -0.189 3.749 3.960 -0.036 0.000 0.217 358 G C 1.703 176.679 174.900 0.127 0.000 1.158 358 G CA 0.654 45.739 45.100 -0.026 0.000 0.771 358 G HN 0.307 nan 8.290 nan 0.000 0.545 359 I N 0.177 120.780 120.570 0.055 0.000 2.286 359 I HA -0.081 4.068 4.170 -0.036 0.000 0.245 359 I C 2.634 178.776 176.117 0.041 0.000 1.104 359 I CA 1.210 62.542 61.300 0.054 0.000 1.397 359 I CB -0.200 37.824 38.000 0.040 0.000 1.072 359 I HN 0.273 nan 8.210 nan 0.000 0.417 360 E N 1.341 121.563 120.200 0.037 0.000 2.058 360 E HA -0.278 4.050 4.350 -0.036 0.000 0.194 360 E C 2.253 178.864 176.600 0.018 0.000 0.997 360 E CA 1.557 57.973 56.400 0.027 0.000 0.801 360 E CB -0.028 29.685 29.700 0.021 0.000 0.746 360 E HN 0.489 nan 8.360 nan 0.000 0.450 361 A N 0.889 123.721 122.820 0.020 0.000 1.898 361 A HA -0.151 4.147 4.320 -0.036 0.000 0.216 361 A C 2.139 179.686 177.584 -0.060 0.000 1.181 361 A CA 1.288 53.324 52.037 -0.002 0.000 0.620 361 A CB -0.650 18.371 19.000 0.035 0.000 0.819 361 A HN 0.385 nan 8.150 nan 0.000 0.442 362 L N -0.190 120.989 121.223 -0.072 0.000 2.017 362 L HA -0.095 4.223 4.340 -0.036 0.000 0.208 362 L C 2.265 179.049 176.870 -0.144 0.000 1.073 362 L CA 1.701 56.410 54.840 -0.218 0.000 0.745 362 L CB -0.413 41.508 42.059 -0.229 0.000 0.894 362 L HN 0.390 nan 8.230 nan 0.000 0.432 363 L N -0.610 120.588 121.223 -0.040 0.000 2.083 363 L HA -0.215 4.103 4.340 -0.036 0.000 0.209 363 L C 2.603 179.543 176.870 0.116 0.000 1.083 363 L CA 1.463 56.322 54.840 0.032 0.000 0.752 363 L CB -0.546 41.580 42.059 0.113 0.000 0.899 363 L HN 0.280 nan 8.230 nan 0.000 0.433 364 K N 0.338 120.787 120.400 0.083 0.000 2.025 364 K HA -0.134 4.164 4.320 -0.036 0.000 0.207 364 K C 2.151 178.755 176.600 0.006 0.000 1.049 364 K CA 1.269 57.607 56.287 0.085 0.000 0.933 364 K CB 0.120 32.634 32.500 0.023 0.000 0.714 364 K HN 0.023 nan 8.250 nan 0.000 0.438 365 K N -0.498 119.849 120.400 -0.089 0.000 2.116 365 K HA 0.031 4.329 4.320 -0.036 0.000 0.203 365 K C 0.565 177.030 176.600 -0.225 0.000 1.052 365 K CA 0.955 57.143 56.287 -0.164 0.000 0.952 365 K CB 0.233 32.587 32.500 -0.245 0.000 0.729 365 K HN 0.255 nan 8.250 nan 0.000 0.446 366 M N 1.458 120.913 119.600 -0.243 0.000 2.944 366 M HA 0.144 4.603 4.480 -0.036 0.000 0.235 366 M C -2.048 174.167 176.300 -0.143 0.000 1.188 366 M CA -1.398 53.753 55.300 -0.247 0.000 0.688 366 M CB 1.562 33.916 32.600 -0.411 0.000 1.406 366 M HN -0.199 nan 8.290 nan 0.000 0.479 367 P HA -0.075 nan 4.420 nan 0.000 0.220 367 P C 1.256 178.450 177.300 -0.178 0.000 1.148 367 P CA 1.295 64.206 63.100 -0.315 0.000 0.803 367 P CB 0.062 31.418 31.700 -0.574 0.000 0.782 368 G N 0.062 108.829 108.800 -0.055 0.000 3.181 368 G HA2 0.053 3.991 3.960 -0.036 0.000 0.219 368 G HA3 0.053 3.991 3.960 -0.036 0.000 0.219 368 G C 0.268 175.205 174.900 0.062 0.000 1.182 368 G CA -0.183 44.921 45.100 0.007 0.000 0.791 368 G HN 0.272 nan 8.290 nan 0.000 0.537 369 V N 0.771 120.720 119.914 0.059 0.000 2.644 369 V HA 0.301 4.400 4.120 -0.036 0.000 0.305 369 V C -0.471 175.655 176.094 0.054 0.000 1.053 369 V CA 0.384 62.739 62.300 0.090 0.000 1.186 369 V CB 1.267 33.093 31.823 0.006 0.000 0.895 369 V HN 0.334 nan 8.190 nan 0.000 0.490 370 D N 3.914 124.354 120.400 0.067 0.000 2.599 370 D HA 0.368 4.987 4.640 -0.036 0.000 0.252 370 D C -0.715 175.607 176.300 0.036 0.000 1.232 370 D CA -0.615 53.406 54.000 0.034 0.000 0.819 370 D CB 1.484 42.294 40.800 0.016 0.000 1.401 370 D HN 0.532 nan 8.370 nan 0.000 0.429 371 L N 1.068 122.306 121.223 0.024 0.000 2.483 371 L HA 0.391 4.709 4.340 -0.036 0.000 0.276 371 L C 1.267 178.139 176.870 0.003 0.000 1.213 371 L CA 0.001 54.852 54.840 0.018 0.000 0.843 371 L CB 0.800 42.870 42.059 0.017 0.000 1.107 371 L HN 0.626 nan 8.230 nan 0.000 0.487 372 A N 3.044 125.862 122.820 -0.004 0.000 2.303 372 A HA 0.355 4.654 4.320 -0.036 0.000 0.217 372 A C 0.228 177.797 177.584 -0.024 0.000 1.205 372 A CA 0.187 52.209 52.037 -0.025 0.000 0.875 372 A CB 0.163 19.143 19.000 -0.033 0.000 0.910 372 A HN 0.491 nan 8.150 nan 0.000 0.501 373 V N -4.178 115.727 119.914 -0.015 0.000 3.040 373 V HA 0.676 4.774 4.120 -0.036 0.000 0.312 373 V C -3.331 172.762 176.094 -0.001 0.000 1.115 373 V CA -2.861 59.431 62.300 -0.013 0.000 0.998 373 V CB 1.322 33.134 31.823 -0.019 0.000 1.042 373 V HN 0.018 nan 8.190 nan 0.000 0.433 374 P HA 0.171 nan 4.420 nan 0.000 0.264 374 P C 0.799 178.118 177.300 0.031 0.000 1.183 374 P CA 0.105 63.215 63.100 0.017 0.000 0.763 374 P CB 0.488 32.197 31.700 0.016 0.000 0.807 375 I N 2.805 123.405 120.570 0.049 0.000 2.315 375 I HA -0.278 3.870 4.170 -0.036 0.000 0.251 375 I C 1.200 177.386 176.117 0.114 0.000 1.125 375 I CA 1.882 63.232 61.300 0.084 0.000 1.392 375 I CB -0.435 37.626 38.000 0.103 0.000 1.065 375 I HN 0.267 nan 8.210 nan 0.000 0.424 376 D N 0.051 120.507 120.400 0.093 0.000 2.309 376 D HA -0.139 4.480 4.640 -0.036 0.000 0.212 376 D C 1.919 178.272 176.300 0.090 0.000 0.968 376 D CA 0.649 54.714 54.000 0.109 0.000 0.882 376 D CB -0.153 40.691 40.800 0.075 0.000 0.918 376 D HN 0.457 nan 8.370 nan 0.000 0.503 377 Q N -0.138 119.690 119.800 0.045 0.000 2.451 377 Q HA 0.088 4.407 4.340 -0.036 0.000 0.206 377 Q C 0.654 176.629 176.000 -0.041 0.000 0.947 377 Q CA 0.028 55.835 55.803 0.007 0.000 0.937 377 Q CB 0.219 28.954 28.738 -0.006 0.000 1.025 377 Q HN 0.382 nan 8.270 nan 0.000 0.511 378 L N 1.062 122.246 121.223 -0.066 0.000 2.490 378 L HA 0.057 4.376 4.340 -0.036 0.000 0.274 378 L C 0.094 176.749 176.870 -0.357 0.000 1.201 378 L CA -0.217 54.460 54.840 -0.271 0.000 0.869 378 L CB 0.398 42.206 42.059 -0.418 0.000 1.123 378 L HN -0.215 nan 8.230 nan 0.000 0.484 379 V N 2.476 122.145 119.914 -0.409 0.000 2.333 379 V HA 0.176 4.274 4.120 -0.036 0.000 0.274 379 V C -0.472 175.405 176.094 -0.362 0.000 1.028 379 V CA -0.475 61.674 62.300 -0.251 0.000 0.851 379 V CB 0.684 32.419 31.823 -0.146 0.000 1.000 379 V HN 0.552 nan 8.190 nan 0.000 0.456 380 W N 4.368 125.665 121.300 -0.005 0.000 2.322 380 W HA 0.510 5.148 4.660 -0.037 0.000 0.307 380 W C 0.808 177.319 176.519 -0.013 0.000 1.220 380 W CA -0.548 56.795 57.345 -0.003 0.000 1.210 380 W CB 0.589 30.056 29.460 0.011 0.000 1.223 380 W HN 0.425 nan 8.180 nan 0.000 0.511 381 R N 2.454 123.052 120.500 0.163 0.000 2.522 381 R HA 0.125 4.443 4.340 -0.036 0.000 0.284 381 R C 0.368 176.747 176.300 0.133 0.000 1.032 381 R CA 0.344 56.476 56.100 0.052 0.000 1.049 381 R CB 0.403 30.635 30.300 -0.113 0.000 0.956 381 R HN 0.570 nan 8.270 nan 0.000 0.422 382 T N 1.354 115.964 114.554 0.093 0.000 2.952 382 T HA 0.340 4.669 4.350 -0.036 0.000 0.286 382 T C -0.027 174.753 174.700 0.133 0.000 1.024 382 T CA -0.987 61.180 62.100 0.111 0.000 1.029 382 T CB 1.235 70.150 68.868 0.079 0.000 1.094 382 T HN 0.777 nan 8.240 nan 0.000 0.515 383 R N -0.351 120.222 120.500 0.120 0.000 3.322 383 R HA -0.162 4.156 4.340 -0.036 0.000 0.253 383 R C -1.084 175.340 176.300 0.207 0.000 0.987 383 R CA 0.260 56.428 56.100 0.114 0.000 0.666 383 R CB -2.025 28.320 30.300 0.076 0.000 1.072 383 R HN 0.610 nan 8.270 nan 0.000 0.447 384 F N -0.775 119.181 119.950 0.009 0.000 2.603 384 F HA 0.219 4.725 4.527 -0.036 0.000 0.317 384 F C 1.241 177.040 175.800 -0.003 0.000 1.066 384 F CA -1.005 57.003 58.000 0.013 0.000 0.941 384 F CB 1.550 40.565 39.000 0.024 0.000 1.291 384 F HN -0.121 nan 8.300 nan 0.000 0.472 385 Q N 1.463 120.933 119.800 -0.550 0.000 2.451 385 Q HA 0.127 4.445 4.340 -0.036 0.000 0.206 385 Q C -0.160 175.615 176.000 -0.374 0.000 0.947 385 Q CA 0.571 56.143 55.803 -0.385 0.000 0.937 385 Q CB 0.310 28.833 28.738 -0.358 0.000 1.025 385 Q HN 0.207 nan 8.270 nan 0.000 0.511 386 R N 0.376 120.733 120.500 -0.239 0.000 2.803 386 R HA 0.446 4.764 4.340 -0.036 0.000 0.276 386 R C -0.615 175.829 176.300 0.241 0.000 0.978 386 R CA -0.652 55.438 56.100 -0.016 0.000 0.939 386 R CB 1.239 31.550 30.300 0.017 0.000 1.179 386 R HN 0.021 nan 8.270 nan 0.000 0.472 387 R N 2.311 122.920 120.500 0.182 0.000 2.229 387 R HA 0.556 4.875 4.340 -0.036 0.000 0.328 387 R C 0.058 176.593 176.300 0.392 0.000 1.009 387 R CA -0.284 55.974 56.100 0.264 0.000 0.864 387 R CB 0.584 30.958 30.300 0.123 0.000 1.085 387 R HN 0.574 nan 8.270 nan 0.000 0.453 388 I N -0.440 120.408 120.570 0.463 0.000 2.841 388 I HA 0.523 4.672 4.170 -0.036 0.000 0.298 388 I C -2.815 173.299 176.117 -0.006 0.000 1.304 388 I CA -3.060 58.413 61.300 0.289 0.000 1.019 388 I CB 2.850 40.923 38.000 0.121 0.000 1.282 388 I HN 0.348 nan 8.210 nan 0.000 0.432 389 P HA 0.209 nan 4.420 nan 0.000 0.280 389 P C -0.104 176.986 177.300 -0.350 0.000 1.244 389 P CA 0.021 62.659 63.100 -0.769 0.000 0.784 389 P CB 1.445 32.623 31.700 -0.870 0.000 0.913 390 E N 2.373 122.396 120.200 -0.295 0.000 2.077 390 E HA -0.108 4.220 4.350 -0.036 0.000 0.193 390 E C 0.453 176.971 176.600 -0.138 0.000 0.989 390 E CA 1.367 57.660 56.400 -0.177 0.000 0.800 390 E CB 0.143 29.756 29.700 -0.145 0.000 0.746 390 E HN 0.537 nan 8.360 nan 0.000 0.452 391 R N -0.304 120.099 120.500 -0.162 0.000 2.795 391 R HA 0.434 4.752 4.340 -0.036 0.000 0.275 391 R C -0.968 175.250 176.300 -0.137 0.000 0.981 391 R CA -0.776 55.257 56.100 -0.112 0.000 0.917 391 R CB 1.626 31.878 30.300 -0.080 0.000 1.202 391 R HN -0.105 nan 8.270 nan 0.000 0.469 392 L N 3.370 124.544 121.223 -0.082 0.000 2.445 392 L HA 0.470 4.789 4.340 -0.036 0.000 0.252 392 L C -2.644 174.212 176.870 -0.023 0.000 1.105 392 L CA -2.245 52.554 54.840 -0.070 0.000 0.943 392 L CB 1.158 43.188 42.059 -0.048 0.000 1.277 392 L HN 0.398 nan 8.230 nan 0.000 0.465 393 P HA 0.291 nan 4.420 nan 0.000 0.276 393 P C -0.857 176.457 177.300 0.023 0.000 1.253 393 P CA -0.025 63.077 63.100 0.003 0.000 0.766 393 P CB 1.176 32.866 31.700 -0.016 0.000 0.845 394 V N 2.290 122.246 119.914 0.071 0.000 3.001 394 V HA 0.828 4.926 4.120 -0.036 0.000 0.314 394 V C -0.645 175.535 176.094 0.143 0.000 1.099 394 V CA -1.091 61.274 62.300 0.109 0.000 0.989 394 V CB 1.764 33.667 31.823 0.134 0.000 1.040 394 V HN 0.331 nan 8.190 nan 0.000 0.434 395 L N 0.243 121.522 121.223 0.094 0.000 2.230 395 L HA 1.116 5.435 4.340 -0.036 0.000 0.255 395 L C -0.549 176.398 176.870 0.128 0.000 1.039 395 L CA -0.639 54.139 54.840 -0.105 0.000 0.846 395 L CB 1.301 43.209 42.059 -0.252 0.000 1.419 395 L HN 1.139 nan 8.230 nan 0.000 0.435 396 W N 0.000 121.262 121.300 -0.063 0.000 2.388 396 W HA 0.000 4.638 4.660 -0.037 0.000 0.303 396 W CA 0.000 57.302 57.345 -0.072 0.000 1.226 396 W CB 0.000 29.406 29.460 -0.090 0.000 1.126 396 W HN 0.000 nan 8.180 nan 0.000 0.535