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 3cy0_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 GAGVIATGSF LTTALISLIQ DATA SEQUENCE RPQLRNLLHE KPELIPAGVE ELLRINLSFA 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 0.000 174.699 174.700 -0.002 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 2.188 125.007 122.820 -0.002 0.000 2.407 3 A HA 0.436 4.735 4.320 -0.035 0.000 0.303 3 A C 0.948 178.530 177.584 -0.003 0.000 0.910 3 A CA 1.481 53.517 52.037 -0.002 0.000 1.219 3 A CB -1.519 17.480 19.000 -0.002 0.000 0.726 3 A HN 2.148 nan 8.150 nan 0.000 0.375 4 T N 0.695 115.248 114.554 -0.003 0.000 2.855 4 T HA 0.638 4.967 4.350 -0.035 0.000 0.281 4 T C 0.160 174.858 174.700 -0.004 0.000 1.007 4 T CA -0.322 61.776 62.100 -0.003 0.000 1.009 4 T CB 1.232 70.098 68.868 -0.003 0.000 0.983 4 T HN 1.740 nan 8.240 nan 0.000 0.455 5 V N 1.782 121.694 119.914 -0.003 0.000 3.185 5 V HA 0.476 4.575 4.120 -0.035 0.000 0.305 5 V C 0.667 176.758 176.094 -0.005 0.000 1.090 5 V CA -1.172 61.125 62.300 -0.005 0.000 1.107 5 V CB -0.053 31.768 31.823 -0.004 0.000 1.061 5 V HN 0.925 nan 8.190 nan 0.000 0.480 6 L N 2.583 123.799 121.223 -0.012 0.000 2.540 6 L HA 0.237 4.556 4.340 -0.035 0.000 0.276 6 L C 0.156 177.027 176.870 0.002 0.000 1.212 6 L CA 0.037 54.867 54.840 -0.016 0.000 0.893 6 L CB 0.060 42.094 42.059 -0.040 0.000 1.138 6 L HN 0.824 nan 8.230 nan 0.000 0.491 7 L N 5.215 126.450 121.223 0.021 0.000 2.640 7 L HA -0.034 4.285 4.340 -0.035 0.000 0.280 7 L C 0.116 177.032 176.870 0.076 0.000 1.229 7 L CA 0.917 55.797 54.840 0.067 0.000 0.919 7 L CB -0.237 41.887 42.059 0.107 0.000 1.168 7 L HN 0.705 nan 8.230 nan 0.000 0.496 8 E N 3.651 123.908 120.200 0.095 0.000 2.242 8 E HA 0.567 4.896 4.350 -0.035 0.000 0.275 8 E C -0.787 175.847 176.600 0.056 0.000 1.002 8 E CA -0.706 55.727 56.400 0.055 0.000 0.841 8 E CB 1.697 31.421 29.700 0.041 0.000 1.109 8 E HN 0.536 nan 8.360 nan 0.000 0.394 9 V N -0.240 119.632 119.914 -0.070 0.000 2.864 9 V HA 0.660 4.759 4.120 -0.035 0.000 0.314 9 V C -2.448 173.558 176.094 -0.147 0.000 1.073 9 V CA -2.398 59.762 62.300 -0.233 0.000 0.956 9 V CB 1.337 32.953 31.823 -0.344 0.000 1.023 9 V HN 0.570 nan 8.190 nan 0.000 0.435 10 P HA 0.413 nan 4.420 nan 0.000 0.276 10 P C 0.273 177.472 177.300 -0.168 0.000 1.261 10 P CA -0.295 62.630 63.100 -0.291 0.000 0.800 10 P CB 1.033 32.637 31.700 -0.161 0.000 1.066 11 F N -0.854 119.079 119.950 -0.028 0.000 2.219 11 F HA 0.035 4.543 4.527 -0.031 0.000 0.294 11 F C 1.601 177.373 175.800 -0.047 0.000 1.086 11 F CA 0.654 58.632 58.000 -0.037 0.000 1.330 11 F CB 0.152 39.123 39.000 -0.048 0.000 1.047 11 F HN 0.273 nan 8.300 nan 0.000 0.495 12 S N -1.150 114.621 115.700 0.118 0.000 2.533 12 S HA 0.625 5.074 4.470 -0.035 0.000 0.271 12 S C 0.012 174.590 174.600 -0.037 0.000 1.143 12 S CA -0.331 57.879 58.200 0.016 0.000 0.891 12 S CB 1.665 64.847 63.200 -0.031 0.000 1.105 12 S HN 0.115 nan 8.310 nan 0.000 0.468 13 A N 3.617 126.414 122.820 -0.039 0.000 2.251 13 A HA 0.318 4.617 4.320 -0.035 0.000 0.209 13 A C 0.902 178.367 177.584 -0.199 0.000 1.187 13 A CA 0.071 52.095 52.037 -0.022 0.000 0.823 13 A CB -0.141 18.913 19.000 0.090 0.000 0.846 13 A HN 0.733 nan 8.150 nan 0.000 0.486 14 R N -0.208 120.034 120.500 -0.431 0.000 2.449 14 R HA 0.243 4.562 4.340 -0.035 0.000 0.296 14 R C 0.978 176.640 176.300 -1.063 0.000 1.047 14 R CA 0.487 55.916 56.100 -1.119 0.000 1.018 14 R CB 0.546 30.411 30.300 -0.725 0.000 0.962 14 R HN 0.268 nan 8.270 nan 0.000 0.428 15 G N 1.772 109.482 108.800 -1.818 0.000 3.393 15 G HA2 -0.090 3.849 3.960 -0.035 0.000 0.255 15 G HA3 -0.090 3.849 3.960 -0.035 0.000 0.255 15 G C 0.475 175.112 174.900 -0.439 0.000 1.097 15 G CA -0.248 44.370 45.100 -0.803 0.000 0.780 15 G HN 0.692 nan 8.290 nan 0.000 0.540 16 D N 0.088 120.195 120.400 -0.487 0.000 2.389 16 D HA 0.037 4.656 4.640 -0.035 0.000 0.206 16 D C 0.998 177.261 176.300 -0.062 0.000 1.055 16 D CA -0.165 53.798 54.000 -0.061 0.000 0.856 16 D CB 0.438 41.335 40.800 0.162 0.000 0.957 16 D HN 0.465 nan 8.370 nan 0.000 0.509 17 R N -0.249 120.159 120.500 -0.152 0.000 2.643 17 R HA 0.514 4.834 4.340 -0.035 0.000 0.269 17 R C -1.515 174.679 176.300 -0.177 0.000 1.037 17 R CA -0.937 55.098 56.100 -0.109 0.000 0.894 17 R CB 1.063 31.317 30.300 -0.076 0.000 1.238 17 R HN -0.009 nan 8.270 nan 0.000 0.459 18 I N 2.984 123.423 120.570 -0.220 0.000 2.428 18 I HA 0.305 4.454 4.170 -0.035 0.000 0.289 18 I C -1.937 174.058 176.117 -0.203 0.000 1.019 18 I CA -2.140 58.974 61.300 -0.309 0.000 1.351 18 I CB 1.503 39.103 38.000 -0.666 0.000 1.412 18 I HN 0.557 nan 8.210 nan 0.000 0.513 19 P HA 0.098 nan 4.420 nan 0.000 0.268 19 P C -0.269 176.953 177.300 -0.131 0.000 1.205 19 P CA -0.093 62.932 63.100 -0.125 0.000 0.771 19 P CB 0.496 32.132 31.700 -0.107 0.000 0.858 20 D N 1.830 122.166 120.400 -0.107 0.000 2.265 20 D HA -0.139 4.480 4.640 -0.035 0.000 0.208 20 D C 1.846 178.083 176.300 -0.105 0.000 0.977 20 D CA 1.419 55.368 54.000 -0.086 0.000 0.871 20 D CB -0.384 40.378 40.800 -0.064 0.000 0.925 20 D HN 0.402 nan 8.370 nan 0.000 0.485 21 A N 0.418 123.144 122.820 -0.156 0.000 2.019 21 A HA -0.140 4.159 4.320 -0.035 0.000 0.219 21 A C 2.465 179.926 177.584 -0.205 0.000 1.164 21 A CA 0.942 52.845 52.037 -0.222 0.000 0.644 21 A CB -0.562 18.213 19.000 -0.375 0.000 0.805 21 A HN 0.155 nan 8.150 nan 0.000 0.449 22 V N -0.152 119.672 119.914 -0.149 0.000 2.255 22 V HA -0.296 3.803 4.120 -0.035 0.000 0.247 22 V C 3.062 179.148 176.094 -0.013 0.000 1.051 22 V CA 2.110 64.383 62.300 -0.045 0.000 1.018 22 V CB -1.286 30.523 31.823 -0.023 0.000 0.641 22 V HN 0.616 nan 8.190 nan 0.000 0.445 23 A N -0.257 122.552 122.820 -0.018 0.000 1.933 23 A HA -0.188 4.111 4.320 -0.035 0.000 0.218 23 A C 2.285 179.873 177.584 0.008 0.000 1.175 23 A CA 1.886 53.934 52.037 0.018 0.000 0.628 23 A CB -0.500 18.514 19.000 0.024 0.000 0.814 23 A HN 0.541 nan 8.150 nan 0.000 0.444 24 E N -0.829 119.356 120.200 -0.024 0.000 2.077 24 E HA -0.164 4.165 4.350 -0.035 0.000 0.193 24 E C 2.079 178.670 176.600 -0.014 0.000 0.989 24 E CA 1.184 57.569 56.400 -0.025 0.000 0.800 24 E CB -0.729 28.939 29.700 -0.053 0.000 0.746 24 E HN 0.619 nan 8.360 nan 0.000 0.452 25 L N 0.978 122.188 121.223 -0.022 0.000 2.027 25 L HA 0.038 4.357 4.340 -0.035 0.000 0.206 25 L C 2.476 179.371 176.870 0.040 0.000 1.074 25 L CA 1.981 56.825 54.840 0.006 0.000 0.745 25 L CB -0.610 41.453 42.059 0.005 0.000 0.898 25 L HN 0.046 nan 8.230 nan 0.000 0.433 26 R N -1.224 119.307 120.500 0.051 0.000 2.117 26 R HA -0.180 4.139 4.340 -0.035 0.000 0.243 26 R C 1.927 178.259 176.300 0.053 0.000 1.143 26 R CA 2.110 58.250 56.100 0.065 0.000 0.968 26 R CB -0.360 29.989 30.300 0.083 0.000 0.863 26 R HN 0.438 nan 8.270 nan 0.000 0.444 27 T N -0.272 114.307 114.554 0.042 0.000 2.857 27 T HA -0.059 4.270 4.350 -0.035 0.000 0.266 27 T C 2.190 176.908 174.700 0.029 0.000 1.048 27 T CA 1.803 63.924 62.100 0.035 0.000 1.139 27 T CB -0.125 68.759 68.868 0.028 0.000 0.874 27 T HN 0.481 nan 8.240 nan 0.000 0.455 28 R N 1.178 121.694 120.500 0.027 0.000 2.090 28 R HA 0.288 4.607 4.340 -0.035 0.000 0.219 28 R C 1.152 177.473 176.300 0.035 0.000 1.100 28 R CA 0.767 56.882 56.100 0.025 0.000 0.991 28 R CB -0.203 30.107 30.300 0.017 0.000 0.893 28 R HN 0.456 nan 8.270 nan 0.000 0.443 29 E N -0.313 119.914 120.200 0.045 0.000 3.079 29 E HA 0.148 4.477 4.350 -0.035 0.000 0.329 29 E C -2.330 174.313 176.600 0.072 0.000 1.166 29 E CA -1.306 55.130 56.400 0.061 0.000 0.876 29 E CB 2.152 31.897 29.700 0.075 0.000 1.479 29 E HN 0.222 nan 8.360 nan 0.000 0.384 30 P HA -0.053 nan 4.420 nan 0.000 0.230 30 P C 0.480 177.814 177.300 0.057 0.000 1.158 30 P CA 0.721 63.856 63.100 0.058 0.000 0.769 30 P CB 0.753 32.479 31.700 0.043 0.000 0.807 31 I N 0.039 120.645 120.570 0.060 0.000 2.447 31 I HA 0.519 4.668 4.170 -0.035 0.000 0.287 31 I C -0.924 175.319 176.117 0.210 0.000 1.023 31 I CA -1.253 60.104 61.300 0.095 0.000 1.083 31 I CB 1.374 39.362 38.000 -0.020 0.000 1.245 31 I HN -0.197 nan 8.210 nan 0.000 0.434 32 R N 5.359 126.056 120.500 0.327 0.000 2.734 32 R HA 0.476 4.795 4.340 -0.035 0.000 0.271 32 R C -1.777 174.699 176.300 0.293 0.000 1.021 32 R CA -1.017 55.311 56.100 0.380 0.000 0.893 32 R CB 0.986 31.411 30.300 0.207 0.000 1.244 32 R HN 0.453 nan 8.270 nan 0.000 0.464 33 K N 1.387 121.830 120.400 0.072 0.000 2.298 33 K HA 0.455 4.754 4.320 -0.035 0.000 0.280 33 K C -0.551 175.964 176.600 -0.141 0.000 1.032 33 K CA -0.374 55.721 56.287 -0.321 0.000 0.958 33 K CB 0.966 33.169 32.500 -0.494 0.000 0.978 33 K HN 0.552 nan 8.250 nan 0.000 0.472 34 V N 0.563 120.373 119.914 -0.173 0.000 3.159 34 V HA 0.604 4.703 4.120 -0.035 0.000 0.308 34 V C -1.103 174.920 176.094 -0.118 0.000 1.190 34 V CA -1.271 60.979 62.300 -0.084 0.000 1.037 34 V CB 1.812 33.613 31.823 -0.036 0.000 1.060 34 V HN 0.830 nan 8.190 nan 0.000 0.437 35 R N 1.104 121.559 120.500 -0.075 0.000 2.393 35 R HA 0.693 5.012 4.340 -0.035 0.000 0.310 35 R C 0.116 176.377 176.300 -0.066 0.000 0.968 35 R CA 0.206 56.261 56.100 -0.075 0.000 0.867 35 R CB 1.800 32.068 30.300 -0.054 0.000 1.124 35 R HN 1.170 nan 8.270 nan 0.000 0.450 36 T N 0.715 115.226 114.554 -0.071 0.000 2.862 36 T HA 0.198 4.527 4.350 -0.035 0.000 0.276 36 T C 1.784 176.454 174.700 -0.050 0.000 0.974 36 T CA -0.744 61.316 62.100 -0.066 0.000 0.966 36 T CB 0.629 69.457 68.868 -0.067 0.000 1.072 36 T HN 0.671 nan 8.240 nan 0.000 0.538 37 I N -1.093 119.450 120.570 -0.045 0.000 2.700 37 I HA -0.032 4.117 4.170 -0.035 0.000 0.261 37 I C 2.119 178.218 176.117 -0.030 0.000 1.219 37 I CA 1.447 62.728 61.300 -0.032 0.000 1.463 37 I CB -1.179 36.806 38.000 -0.025 0.000 1.092 37 I HN 0.820 nan 8.210 nan 0.000 0.452 38 T N -2.208 112.324 114.554 -0.036 0.000 3.113 38 T HA 0.383 4.712 4.350 -0.035 0.000 0.256 38 T C 1.635 176.314 174.700 -0.034 0.000 1.131 38 T CA 0.528 62.607 62.100 -0.034 0.000 1.074 38 T CB 0.176 69.021 68.868 -0.038 0.000 0.944 38 T HN 0.726 nan 8.240 nan 0.000 0.516 39 G N 1.089 109.867 108.800 -0.037 0.000 2.195 39 G HA2 -0.056 3.883 3.960 -0.035 0.000 0.246 39 G HA3 -0.056 3.883 3.960 -0.035 0.000 0.246 39 G C 0.369 175.240 174.900 -0.048 0.000 0.984 39 G CA -0.098 44.980 45.100 -0.038 0.000 0.633 39 G HN 1.173 nan 8.290 nan 0.000 0.525 40 A N 0.221 123.010 122.820 -0.052 0.000 2.425 40 A HA 0.599 4.898 4.320 -0.035 0.000 0.242 40 A C 0.470 178.001 177.584 -0.089 0.000 1.077 40 A CA 0.396 52.396 52.037 -0.063 0.000 0.781 40 A CB 0.273 19.240 19.000 -0.056 0.000 1.020 40 A HN 0.533 nan 8.150 nan 0.000 0.494 41 E N -0.238 119.893 120.200 -0.115 0.000 2.283 41 E HA 0.579 4.908 4.350 -0.035 0.000 0.271 41 E C -0.148 176.325 176.600 -0.213 0.000 1.031 41 E CA -0.171 56.118 56.400 -0.185 0.000 0.868 41 E CB 1.567 31.130 29.700 -0.230 0.000 1.094 41 E HN 0.833 nan 8.360 nan 0.000 0.401 42 A N 1.852 124.500 122.820 -0.286 0.000 2.609 42 A HA 0.498 4.797 4.320 -0.035 0.000 0.291 42 A C -2.091 175.271 177.584 -0.370 0.000 1.096 42 A CA -0.841 51.047 52.037 -0.248 0.000 0.684 42 A CB 0.793 19.729 19.000 -0.107 0.000 1.282 42 A HN 0.619 nan 8.150 nan 0.000 0.412 43 W N 1.203 122.494 121.300 -0.015 0.000 2.316 43 W HA 0.536 5.189 4.660 -0.012 0.000 0.308 43 W C -0.003 176.492 176.519 -0.040 0.000 1.106 43 W CA -0.359 56.974 57.345 -0.019 0.000 1.262 43 W CB 1.462 30.910 29.460 -0.020 0.000 1.233 43 W HN 0.484 nan 8.180 nan 0.000 0.447 44 L N 5.850 127.185 121.223 0.187 0.000 2.265 44 L HA 0.518 4.837 4.340 -0.035 0.000 0.288 44 L C -0.806 176.130 176.870 0.111 0.000 1.058 44 L CA -0.485 54.414 54.840 0.098 0.000 0.809 44 L CB 0.879 42.982 42.059 0.074 0.000 1.179 44 L HN 0.144 nan 8.230 nan 0.000 0.429 45 V N 5.213 125.156 119.914 0.048 0.000 2.370 45 V HA 0.343 4.442 4.120 -0.035 0.000 0.283 45 V C 0.796 176.902 176.094 0.020 0.000 1.023 45 V CA -0.084 62.225 62.300 0.015 0.000 0.857 45 V CB 1.385 33.170 31.823 -0.062 0.000 0.985 45 V HN 0.936 nan 8.190 nan 0.000 0.443 46 S N 1.206 116.935 115.700 0.047 0.000 2.733 46 S HA 0.161 4.610 4.470 -0.035 0.000 0.247 46 S C 0.573 175.224 174.600 0.085 0.000 1.043 46 S CA 0.097 58.342 58.200 0.074 0.000 1.066 46 S CB 0.386 63.652 63.200 0.109 0.000 1.045 46 S HN 0.779 nan 8.310 nan 0.000 0.586 47 S N 0.469 116.207 115.700 0.064 0.000 2.617 47 S HA 0.526 4.975 4.470 -0.035 0.000 0.283 47 S C 0.556 175.205 174.600 0.083 0.000 1.189 47 S CA -0.670 57.585 58.200 0.092 0.000 1.036 47 S CB 0.808 64.053 63.200 0.075 0.000 1.014 47 S HN 0.248 nan 8.310 nan 0.000 0.522 48 Y N 2.695 123.001 120.300 0.010 0.000 2.128 48 Y HA -0.142 4.388 4.550 -0.033 0.000 0.284 48 Y C 2.494 178.348 175.900 -0.076 0.000 1.154 48 Y CA 2.367 60.436 58.100 -0.051 0.000 1.149 48 Y CB -0.992 37.392 38.460 -0.128 0.000 0.976 48 Y HN 0.899 nan 8.280 nan 0.000 0.505 49 A N 0.351 123.251 122.820 0.133 0.000 1.865 49 A HA -0.208 4.091 4.320 -0.035 0.000 0.217 49 A C 2.296 179.856 177.584 -0.041 0.000 1.191 49 A CA 2.176 54.248 52.037 0.058 0.000 0.623 49 A CB -1.218 17.827 19.000 0.074 0.000 0.826 49 A HN 0.555 nan 8.150 nan 0.000 0.444 50 L N -1.044 120.156 121.223 -0.038 0.000 2.156 50 L HA -0.176 4.143 4.340 -0.035 0.000 0.208 50 L C 2.708 179.505 176.870 -0.122 0.000 1.095 50 L CA 0.874 55.672 54.840 -0.069 0.000 0.770 50 L CB -0.745 41.282 42.059 -0.053 0.000 0.914 50 L HN 0.495 nan 8.230 nan 0.000 0.439 51 C N -0.292 118.924 119.300 -0.140 0.000 2.429 51 C HA -0.157 4.282 4.460 -0.035 0.000 0.277 51 C C 2.973 177.837 174.990 -0.209 0.000 1.262 51 C CA 1.462 60.374 59.018 -0.177 0.000 1.733 51 C CB -0.818 26.816 27.740 -0.177 0.000 2.010 51 C HN 0.523 nan 8.230 nan 0.000 0.483 52 T N 0.091 114.476 114.554 -0.280 0.000 2.777 52 T HA -0.243 4.087 4.350 -0.035 0.000 0.266 52 T C 1.850 176.478 174.700 -0.120 0.000 1.040 52 T CA 1.620 63.570 62.100 -0.249 0.000 1.141 52 T CB -0.421 68.251 68.868 -0.326 0.000 0.868 52 T HN 0.673 nan 8.240 nan 0.000 0.444 53 Q N 0.620 120.366 119.800 -0.090 0.000 2.077 53 Q HA -0.148 4.171 4.340 -0.035 0.000 0.206 53 Q C 2.327 178.335 176.000 0.013 0.000 0.989 53 Q CA 1.625 57.415 55.803 -0.023 0.000 0.853 53 Q CB -0.278 28.454 28.738 -0.010 0.000 0.907 53 Q HN 0.373 nan 8.270 nan 0.000 0.418 54 V N 1.078 120.933 119.914 -0.097 0.000 2.307 54 V HA -0.267 3.832 4.120 -0.035 0.000 0.245 54 V C 2.373 178.463 176.094 -0.007 0.000 1.045 54 V CA 1.555 63.740 62.300 -0.193 0.000 1.024 54 V CB -0.491 31.019 31.823 -0.521 0.000 0.651 54 V HN 0.403 nan 8.190 nan 0.000 0.449 55 L N -0.406 120.794 121.223 -0.039 0.000 2.201 55 L HA -0.126 4.194 4.340 -0.035 0.000 0.212 55 L C 2.249 179.156 176.870 0.061 0.000 1.105 55 L CA 1.362 56.212 54.840 0.017 0.000 0.775 55 L CB -0.418 41.630 42.059 -0.018 0.000 0.913 55 L HN 0.409 nan 8.230 nan 0.000 0.440 56 E N -0.971 119.257 120.200 0.046 0.000 2.479 56 E HA -0.051 4.278 4.350 -0.035 0.000 0.193 56 E C -0.058 176.585 176.600 0.072 0.000 1.049 56 E CA -0.093 56.334 56.400 0.045 0.000 0.870 56 E CB 0.310 30.018 29.700 0.014 0.000 0.944 56 E HN 0.175 nan 8.360 nan 0.000 0.492 57 D N 0.516 121.000 120.400 0.140 0.000 2.441 57 D HA 0.117 4.737 4.640 -0.035 0.000 0.231 57 D C 0.588 176.976 176.300 0.147 0.000 1.073 57 D CA -0.333 53.751 54.000 0.139 0.000 0.850 57 D CB 0.574 41.493 40.800 0.198 0.000 1.062 57 D HN -0.154 nan 8.370 nan 0.000 0.524 58 R N 2.191 122.732 120.500 0.068 0.000 2.293 58 R HA -0.007 4.312 4.340 -0.035 0.000 0.219 58 R C 1.534 177.850 176.300 0.027 0.000 1.091 58 R CA 0.634 56.774 56.100 0.067 0.000 1.004 58 R CB 0.262 30.581 30.300 0.031 0.000 0.865 58 R HN 0.366 nan 8.270 nan 0.000 0.469 59 R N -0.334 120.123 120.500 -0.071 0.000 2.285 59 R HA -0.048 4.271 4.340 -0.035 0.000 0.213 59 R C -0.120 176.030 176.300 -0.250 0.000 1.068 59 R CA 0.565 56.554 56.100 -0.184 0.000 1.004 59 R CB 0.036 30.162 30.300 -0.290 0.000 0.873 59 R HN 0.004 nan 8.270 nan 0.000 0.467 60 F N 0.805 120.769 119.950 0.023 0.000 2.377 60 F HA 0.163 4.666 4.527 -0.039 0.000 0.360 60 F C 0.547 176.374 175.800 0.045 0.000 1.147 60 F CA -0.460 57.557 58.000 0.028 0.000 1.170 60 F CB 0.960 39.973 39.000 0.022 0.000 1.339 60 F HN -0.218 nan 8.300 nan 0.000 0.552 61 S N 4.627 120.432 115.700 0.175 0.000 2.499 61 S HA 0.279 4.728 4.470 -0.035 0.000 0.279 61 S C 1.169 175.821 174.600 0.087 0.000 1.219 61 S CA -0.759 57.517 58.200 0.127 0.000 1.062 61 S CB 0.799 64.045 63.200 0.076 0.000 0.978 61 S HN 0.829 nan 8.310 nan 0.000 0.489 62 M N 5.103 124.731 119.600 0.046 0.000 2.160 62 M HA 0.026 4.485 4.480 -0.035 0.000 0.264 62 M C 2.093 178.357 176.300 -0.059 0.000 1.073 62 M CA 1.526 56.770 55.300 -0.094 0.000 1.142 62 M CB -0.416 31.923 32.600 -0.436 0.000 1.358 62 M HN 0.806 nan 8.290 nan 0.000 0.422 63 K N 0.229 120.624 120.400 -0.010 0.000 2.044 63 K HA -0.200 4.099 4.320 -0.035 0.000 0.210 63 K C 1.443 178.042 176.600 -0.001 0.000 1.049 63 K CA 1.849 58.139 56.287 0.004 0.000 0.927 63 K CB -0.127 32.399 32.500 0.044 0.000 0.713 63 K HN 0.381 nan 8.250 nan 0.000 0.443 64 E N 0.198 120.406 120.200 0.013 0.000 2.418 64 E HA -0.085 4.244 4.350 -0.035 0.000 0.197 64 E C 1.802 178.405 176.600 0.004 0.000 1.026 64 E CA 1.272 57.679 56.400 0.011 0.000 0.862 64 E CB -0.183 29.529 29.700 0.021 0.000 0.799 64 E HN 0.591 nan 8.360 nan 0.000 0.518 65 T N -1.431 113.122 114.554 -0.003 0.000 2.897 65 T HA -0.047 4.282 4.350 -0.035 0.000 0.271 65 T C 1.799 176.481 174.700 -0.030 0.000 1.084 65 T CA 1.125 63.216 62.100 -0.014 0.000 1.123 65 T CB -0.066 68.785 68.868 -0.027 0.000 0.865 65 T HN 0.116 nan 8.240 nan 0.000 0.496 66 A N 0.913 123.711 122.820 -0.036 0.000 2.251 66 A HA 0.728 5.027 4.320 -0.035 0.000 0.209 66 A C 1.396 178.958 177.584 -0.037 0.000 1.187 66 A CA 0.135 52.143 52.037 -0.047 0.000 0.823 66 A CB -0.679 18.287 19.000 -0.057 0.000 0.846 66 A HN 0.776 nan 8.150 nan 0.000 0.486 67 A N 0.464 123.270 122.820 -0.023 0.000 2.477 67 A HA 0.549 4.848 4.320 -0.035 0.000 0.246 67 A C 0.855 178.426 177.584 -0.021 0.000 1.078 67 A CA 0.184 52.211 52.037 -0.018 0.000 0.770 67 A CB -0.243 18.752 19.000 -0.008 0.000 1.011 67 A HN 1.334 nan 8.150 nan 0.000 0.494 68 A N 1.758 124.566 122.820 -0.020 0.000 2.540 68 A HA 0.470 4.770 4.320 -0.035 0.000 0.239 68 A C 1.670 179.244 177.584 -0.016 0.000 1.061 68 A CA 0.798 52.822 52.037 -0.021 0.000 0.758 68 A CB -0.678 18.310 19.000 -0.019 0.000 0.991 68 A HN 2.760 nan 8.150 nan 0.000 0.502 69 G N 0.659 109.449 108.800 -0.018 0.000 2.179 69 G HA2 0.113 4.052 3.960 -0.035 0.000 0.260 69 G HA3 0.113 4.052 3.960 -0.035 0.000 0.260 69 G C 0.664 175.557 174.900 -0.011 0.000 0.977 69 G CA 0.615 45.707 45.100 -0.014 0.000 0.641 69 G HN 2.236 nan 8.290 nan 0.000 0.533 70 A N 1.161 123.974 122.820 -0.012 0.000 2.425 70 A HA 0.619 4.918 4.320 -0.035 0.000 0.242 70 A C -1.008 176.568 177.584 -0.013 0.000 1.077 70 A CA -0.255 51.778 52.037 -0.007 0.000 0.781 70 A CB 0.122 19.119 19.000 -0.006 0.000 1.020 70 A HN 0.341 nan 8.150 nan 0.000 0.494 71 P HA 0.210 nan 4.420 nan 0.000 0.267 71 P C -0.798 176.488 177.300 -0.024 0.000 1.205 71 P CA 0.265 63.352 63.100 -0.021 0.000 0.765 71 P CB 0.477 32.165 31.700 -0.022 0.000 0.828 72 R N 2.177 122.657 120.500 -0.034 0.000 2.514 72 R HA 0.276 4.595 4.340 -0.035 0.000 0.301 72 R C 1.073 177.346 176.300 -0.045 0.000 0.962 72 R CA -0.973 55.104 56.100 -0.039 0.000 0.882 72 R CB 1.622 31.896 30.300 -0.043 0.000 1.143 72 R HN 0.307 nan 8.270 nan 0.000 0.452 73 L N 2.532 123.728 121.223 -0.046 0.000 2.027 73 L HA -0.076 4.243 4.340 -0.035 0.000 0.206 73 L C 0.268 177.106 176.870 -0.053 0.000 1.074 73 L CA 1.852 56.662 54.840 -0.051 0.000 0.745 73 L CB -0.229 41.801 42.059 -0.048 0.000 0.898 73 L HN 0.829 nan 8.230 nan 0.000 0.433 74 N N -2.383 116.283 118.700 -0.057 0.000 3.020 74 N HA 0.436 5.155 4.740 -0.035 0.000 0.248 74 N C -1.121 174.348 175.510 -0.068 0.000 1.480 74 N CA -0.426 52.588 53.050 -0.060 0.000 0.874 74 N CB 1.091 39.539 38.487 -0.064 0.000 1.433 74 N HN 0.073 nan 8.380 nan 0.000 0.530 75 A N 0.775 123.552 122.820 -0.071 0.000 2.425 75 A HA 0.379 4.678 4.320 -0.035 0.000 0.249 75 A C 0.503 178.021 177.584 -0.110 0.000 1.084 75 A CA -0.482 51.507 52.037 -0.080 0.000 0.781 75 A CB -0.140 18.818 19.000 -0.071 0.000 1.019 75 A HN 0.556 nan 8.150 nan 0.000 0.490 76 L N 1.753 122.904 121.223 -0.120 0.000 2.540 76 L HA 0.052 4.372 4.340 -0.035 0.000 0.276 76 L C 1.635 178.388 176.870 -0.195 0.000 1.212 76 L CA 0.694 55.436 54.840 -0.164 0.000 0.893 76 L CB 0.398 42.360 42.059 -0.162 0.000 1.138 76 L HN 0.971 nan 8.230 nan 0.000 0.491 77 T N -0.911 113.489 114.554 -0.257 0.000 3.054 77 T HA 0.317 4.646 4.350 -0.035 0.000 0.255 77 T C 0.085 174.529 174.700 -0.426 0.000 1.035 77 T CA -0.043 61.886 62.100 -0.286 0.000 0.941 77 T CB 0.006 68.697 68.868 -0.295 0.000 1.026 77 T HN 0.363 nan 8.240 nan 0.000 0.533 78 V N -2.880 116.724 119.914 -0.516 0.000 3.102 78 V HA 0.788 4.887 4.120 -0.035 0.000 0.312 78 V C -3.190 172.549 176.094 -0.593 0.000 1.135 78 V CA -3.280 58.508 62.300 -0.852 0.000 1.022 78 V CB 1.333 32.618 31.823 -0.897 0.000 1.056 78 V HN -0.181 nan 8.190 nan 0.000 0.436 79 P HA 0.214 nan 4.420 nan 0.000 0.266 79 P C -2.062 175.108 177.300 -0.218 0.000 1.195 79 P CA -1.013 61.905 63.100 -0.303 0.000 0.768 79 P CB 0.037 31.625 31.700 -0.186 0.000 0.838 80 P HA -0.240 nan 4.420 nan 0.000 0.216 80 P C 1.233 178.487 177.300 -0.077 0.000 1.150 80 P CA 1.678 64.715 63.100 -0.105 0.000 0.843 80 P CB -0.082 31.575 31.700 -0.073 0.000 0.787 81 E N 0.416 120.583 120.200 -0.055 0.000 2.204 81 E HA -0.090 4.239 4.350 -0.035 0.000 0.195 81 E C 1.873 178.465 176.600 -0.014 0.000 0.990 81 E CA 1.093 57.480 56.400 -0.021 0.000 0.821 81 E CB -1.406 28.295 29.700 0.002 0.000 0.750 81 E HN 0.117 nan 8.360 nan 0.000 0.477 82 V N 1.697 121.585 119.914 -0.042 0.000 2.759 82 V HA -0.166 3.934 4.120 -0.035 0.000 0.256 82 V C 2.603 178.669 176.094 -0.046 0.000 1.080 82 V CA 1.082 63.367 62.300 -0.025 0.000 1.101 82 V CB -0.241 31.534 31.823 -0.079 0.000 0.698 82 V HN 0.110 nan 8.190 nan 0.000 0.477 83 V N 0.681 120.547 119.914 -0.080 0.000 2.469 83 V HA -0.216 3.883 4.120 -0.035 0.000 0.251 83 V C 1.876 177.950 176.094 -0.033 0.000 1.064 83 V CA 2.136 64.392 62.300 -0.074 0.000 1.066 83 V CB -0.819 30.952 31.823 -0.087 0.000 0.667 83 V HN 0.658 nan 8.190 nan 0.000 0.461 84 N N 0.324 119.024 118.700 0.001 0.000 2.327 84 N HA 0.011 4.730 4.740 -0.035 0.000 0.231 84 N C 1.205 176.761 175.510 0.078 0.000 1.130 84 N CA 0.161 53.237 53.050 0.044 0.000 0.845 84 N CB -0.601 37.911 38.487 0.043 0.000 1.073 84 N HN 0.453 nan 8.380 nan 0.000 0.496 85 N N 0.255 119.005 118.700 0.083 0.000 2.061 85 N HA -0.214 4.505 4.740 -0.035 0.000 0.193 85 N C 1.490 177.094 175.510 0.157 0.000 1.030 85 N CA 1.480 54.606 53.050 0.126 0.000 0.856 85 N CB -0.032 38.545 38.487 0.151 0.000 1.023 85 N HN 0.245 nan 8.380 nan 0.000 0.424 86 M N -0.162 119.544 119.600 0.177 0.000 2.175 86 M HA 0.157 4.616 4.480 -0.035 0.000 0.264 86 M C 1.908 178.301 176.300 0.154 0.000 1.063 86 M CA 1.534 56.956 55.300 0.203 0.000 1.119 86 M CB -0.953 31.792 32.600 0.242 0.000 1.377 86 M HN 0.239 nan 8.290 nan 0.000 0.415 87 G N -0.009 108.879 108.800 0.147 0.000 2.440 87 G HA2 -0.264 3.675 3.960 -0.035 0.000 0.218 87 G HA3 -0.264 3.675 3.960 -0.035 0.000 0.218 87 G C 1.447 176.394 174.900 0.078 0.000 1.154 87 G CA 1.103 46.266 45.100 0.104 0.000 0.767 87 G HN 0.478 nan 8.290 nan 0.000 0.552 88 N N 0.730 119.477 118.700 0.078 0.000 2.120 88 N HA -0.046 4.673 4.740 -0.035 0.000 0.188 88 N C 2.241 177.777 175.510 0.043 0.000 1.024 88 N CA 0.790 53.872 53.050 0.053 0.000 0.852 88 N CB -0.323 38.195 38.487 0.051 0.000 1.003 88 N HN 0.357 nan 8.380 nan 0.000 0.424 89 I N 1.325 121.935 120.570 0.068 0.000 2.118 89 I HA -0.303 3.846 4.170 -0.035 0.000 0.241 89 I C 2.347 178.500 176.117 0.059 0.000 1.070 89 I CA 1.362 62.697 61.300 0.058 0.000 1.327 89 I CB -0.351 37.713 38.000 0.105 0.000 1.034 89 I HN 0.081 nan 8.210 nan 0.000 0.405 90 A N 0.418 123.280 122.820 0.070 0.000 1.883 90 A HA -0.262 4.037 4.320 -0.035 0.000 0.217 90 A C 1.945 179.559 177.584 0.050 0.000 1.186 90 A CA 2.237 54.310 52.037 0.060 0.000 0.624 90 A CB -0.712 18.321 19.000 0.055 0.000 0.822 90 A HN 0.378 nan 8.150 nan 0.000 0.444 91 D N -0.023 120.403 120.400 0.043 0.000 2.218 91 D HA -0.031 4.588 4.640 -0.035 0.000 0.204 91 D C 1.878 178.199 176.300 0.035 0.000 0.976 91 D CA 1.394 55.413 54.000 0.033 0.000 0.853 91 D CB -0.284 40.533 40.800 0.028 0.000 0.939 91 D HN 0.462 nan 8.370 nan 0.000 0.481 92 A N -0.489 122.356 122.820 0.041 0.000 2.208 92 A HA 0.410 4.710 4.320 -0.035 0.000 0.209 92 A C 1.767 179.432 177.584 0.135 0.000 1.161 92 A CA 1.018 53.091 52.037 0.059 0.000 0.782 92 A CB -0.118 18.881 19.000 -0.001 0.000 0.816 92 A HN 0.237 nan 8.150 nan 0.000 0.477 93 G N -1.313 107.558 108.800 0.118 0.000 2.136 93 G HA2 -0.220 3.719 3.960 -0.035 0.000 0.242 93 G HA3 -0.220 3.719 3.960 -0.035 0.000 0.242 93 G C 0.517 175.567 174.900 0.250 0.000 0.989 93 G CA 0.426 45.621 45.100 0.158 0.000 0.682 93 G HN 0.499 nan 8.290 nan 0.000 0.522 94 L N -0.726 120.598 121.223 0.168 0.000 2.693 94 L HA 0.329 4.648 4.340 -0.035 0.000 0.235 94 L C 2.495 179.399 176.870 0.057 0.000 1.127 94 L CA 0.279 55.184 54.840 0.109 0.000 0.914 94 L CB 0.015 42.097 42.059 0.040 0.000 1.193 94 L HN 0.263 nan 8.230 nan 0.000 0.502 95 R N 1.103 121.644 120.500 0.069 0.000 2.083 95 R HA -0.184 4.135 4.340 -0.035 0.000 0.237 95 R C 2.129 178.455 176.300 0.042 0.000 1.137 95 R CA 1.715 57.850 56.100 0.057 0.000 0.951 95 R CB 0.072 30.411 30.300 0.064 0.000 0.851 95 R HN 0.178 nan 8.270 nan 0.000 0.434 96 K N -0.505 119.924 120.400 0.049 0.000 2.097 96 K HA -0.103 4.196 4.320 -0.035 0.000 0.206 96 K C 2.039 178.650 176.600 0.019 0.000 1.049 96 K CA 1.387 57.696 56.287 0.037 0.000 0.933 96 K CB -0.100 32.428 32.500 0.046 0.000 0.717 96 K HN 0.263 nan 8.250 nan 0.000 0.442 97 A N 0.751 123.579 122.820 0.012 0.000 1.873 97 A HA -0.098 4.201 4.320 -0.035 0.000 0.215 97 A C 2.330 179.882 177.584 -0.054 0.000 1.186 97 A CA 1.216 53.241 52.037 -0.021 0.000 0.616 97 A CB -0.583 18.393 19.000 -0.041 0.000 0.823 97 A HN 0.058 nan 8.150 nan 0.000 0.442 98 V N 0.185 120.053 119.914 -0.077 0.000 2.261 98 V HA -0.339 3.760 4.120 -0.035 0.000 0.246 98 V C 2.684 178.711 176.094 -0.113 0.000 1.047 98 V CA 2.375 64.573 62.300 -0.170 0.000 1.015 98 V CB -0.734 30.931 31.823 -0.264 0.000 0.642 98 V HN 0.571 nan 8.190 nan 0.000 0.446 99 M N -0.423 119.158 119.600 -0.031 0.000 2.159 99 M HA -0.206 4.253 4.480 -0.035 0.000 0.263 99 M C 2.323 178.630 176.300 0.011 0.000 1.063 99 M CA 1.897 57.210 55.300 0.021 0.000 1.110 99 M CB -0.532 32.099 32.600 0.052 0.000 1.374 99 M HN 0.284 nan 8.290 nan 0.000 0.411 100 K N 0.930 121.328 120.400 -0.003 0.000 2.097 100 K HA -0.111 4.188 4.320 -0.035 0.000 0.206 100 K C 1.837 178.428 176.600 -0.015 0.000 1.049 100 K CA 1.476 57.760 56.287 -0.005 0.000 0.933 100 K CB -0.061 32.435 32.500 -0.006 0.000 0.717 100 K HN 0.266 nan 8.250 nan 0.000 0.442 101 A N 1.346 124.146 122.820 -0.033 0.000 2.119 101 A HA 0.016 4.315 4.320 -0.035 0.000 0.217 101 A C 1.772 179.341 177.584 -0.025 0.000 1.153 101 A CA 0.965 52.978 52.037 -0.039 0.000 0.692 101 A CB -0.529 18.433 19.000 -0.063 0.000 0.799 101 A HN 0.577 nan 8.150 nan 0.000 0.458 102 I N -2.033 118.533 120.570 -0.007 0.000 3.914 102 I HA 0.202 4.351 4.170 -0.035 0.000 0.333 102 I C 0.458 176.594 176.117 0.030 0.000 1.449 102 I CA -0.017 61.300 61.300 0.028 0.000 1.135 102 I CB -0.309 37.752 38.000 0.102 0.000 1.073 102 I HN 0.093 nan 8.210 nan 0.000 0.401 103 T N -0.763 113.801 114.554 0.016 0.000 2.899 103 T HA 0.348 4.677 4.350 -0.035 0.000 0.295 103 T C -1.404 173.304 174.700 0.013 0.000 1.033 103 T CA -1.420 60.690 62.100 0.017 0.000 1.084 103 T CB 0.837 69.713 68.868 0.014 0.000 0.979 103 T HN 0.064 nan 8.240 nan 0.000 0.532 104 P HA 0.149 nan 4.420 nan 0.000 0.242 104 P C 0.998 178.313 177.300 0.025 0.000 1.197 104 P CA 0.420 63.536 63.100 0.027 0.000 0.765 104 P CB -0.402 31.324 31.700 0.043 0.000 0.936 105 K N -0.035 120.376 120.400 0.018 0.000 2.459 105 K HA 0.373 4.672 4.320 -0.035 0.000 0.193 105 K C 1.261 177.867 176.600 0.010 0.000 1.030 105 K CA 0.605 56.902 56.287 0.016 0.000 1.026 105 K CB -0.987 31.521 32.500 0.013 0.000 0.809 105 K HN 0.336 nan 8.250 nan 0.000 0.504 106 A N 2.534 125.356 122.820 0.004 0.000 2.540 106 A HA 0.425 4.724 4.320 -0.035 0.000 0.239 106 A C -2.179 175.407 177.584 0.003 0.000 1.061 106 A CA -0.966 51.069 52.037 -0.004 0.000 0.758 106 A CB -0.410 18.580 19.000 -0.018 0.000 0.991 106 A HN 0.319 nan 8.150 nan 0.000 0.502 107 P HA 0.124 nan 4.420 nan 0.000 0.263 107 P C 1.161 178.468 177.300 0.010 0.000 1.168 107 P CA 1.923 65.027 63.100 0.007 0.000 0.759 107 P CB 0.328 32.029 31.700 0.002 0.000 0.782 108 G N 1.706 110.523 108.800 0.027 0.000 2.220 108 G HA2 -0.350 3.589 3.960 -0.035 0.000 0.269 108 G HA3 -0.350 3.589 3.960 -0.035 0.000 0.269 108 G C 0.697 175.645 174.900 0.080 0.000 0.977 108 G CA 0.431 45.560 45.100 0.048 0.000 0.634 108 G HN 0.553 nan 8.290 nan 0.000 0.539 109 L N 0.838 122.095 121.223 0.058 0.000 2.007 109 L HA 0.231 4.550 4.340 -0.035 0.000 0.205 109 L C 2.578 179.536 176.870 0.147 0.000 1.073 109 L CA 2.848 57.735 54.840 0.078 0.000 0.744 109 L CB -0.630 41.448 42.059 0.031 0.000 0.898 109 L HN 0.425 nan 8.230 nan 0.000 0.435 110 E N -0.983 119.275 120.200 0.097 0.000 2.160 110 E HA -0.292 4.037 4.350 -0.035 0.000 0.195 110 E C 2.055 178.707 176.600 0.086 0.000 0.991 110 E CA 1.191 57.643 56.400 0.086 0.000 0.810 110 E CB -0.025 29.710 29.700 0.058 0.000 0.742 110 E HN 0.477 nan 8.360 nan 0.000 0.466 111 Q N 0.297 120.155 119.800 0.097 0.000 2.137 111 Q HA -0.107 4.212 4.340 -0.035 0.000 0.198 111 Q C 1.719 177.777 176.000 0.097 0.000 0.960 111 Q CA 0.947 56.797 55.803 0.078 0.000 0.847 111 Q CB -0.367 28.413 28.738 0.070 0.000 0.915 111 Q HN 0.302 nan 8.270 nan 0.000 0.448 112 F N -0.067 119.888 119.950 0.007 0.000 2.095 112 F HA -0.182 4.324 4.527 -0.035 0.000 0.298 112 F C 1.678 177.483 175.800 0.007 0.000 1.104 112 F CA 1.322 59.326 58.000 0.008 0.000 1.232 112 F CB -0.189 38.817 39.000 0.009 0.000 0.987 112 F HN 0.126 nan 8.300 nan 0.000 0.475 113 L N 0.107 121.384 121.223 0.090 0.000 2.012 113 L HA -0.272 4.047 4.340 -0.035 0.000 0.210 113 L C 2.784 179.587 176.870 -0.111 0.000 1.073 113 L CA 1.938 56.766 54.840 -0.020 0.000 0.748 113 L CB -0.538 41.567 42.059 0.076 0.000 0.891 113 L HN 0.171 nan 8.230 nan 0.000 0.431 114 R N -0.135 120.330 120.500 -0.057 0.000 2.073 114 R HA -0.181 4.138 4.340 -0.035 0.000 0.234 114 R C 1.909 178.158 176.300 -0.086 0.000 1.134 114 R CA 1.900 57.968 56.100 -0.052 0.000 0.952 114 R CB -0.108 30.181 30.300 -0.018 0.000 0.850 114 R HN 0.335 nan 8.270 nan 0.000 0.433 115 D N -0.550 119.780 120.400 -0.117 0.000 2.123 115 D HA -0.132 4.487 4.640 -0.035 0.000 0.196 115 D C 1.743 177.925 176.300 -0.196 0.000 0.992 115 D CA 1.797 55.717 54.000 -0.135 0.000 0.833 115 D CB -0.381 40.342 40.800 -0.128 0.000 0.954 115 D HN 0.287 nan 8.370 nan 0.000 0.455 116 T N 0.633 114.983 114.554 -0.340 0.000 2.737 116 T HA -0.063 4.266 4.350 -0.035 0.000 0.265 116 T C 2.061 176.668 174.700 -0.155 0.000 1.038 116 T CA 1.422 63.316 62.100 -0.343 0.000 1.144 116 T CB -0.341 68.184 68.868 -0.572 0.000 0.866 116 T HN 0.190 nan 8.240 nan 0.000 0.434 117 A N 2.758 125.512 122.820 -0.109 0.000 1.892 117 A HA -0.212 4.087 4.320 -0.035 0.000 0.218 117 A C 2.255 179.890 177.584 0.086 0.000 1.188 117 A CA 1.745 53.819 52.037 0.061 0.000 0.631 117 A CB -0.752 18.288 19.000 0.067 0.000 0.822 117 A HN 0.399 nan 8.150 nan 0.000 0.447 118 N N -0.218 118.476 118.700 -0.010 0.000 2.166 118 N HA -0.109 4.610 4.740 -0.035 0.000 0.186 118 N C 2.020 177.499 175.510 -0.051 0.000 1.019 118 N CA 1.445 54.471 53.050 -0.040 0.000 0.856 118 N CB -0.495 37.964 38.487 -0.047 0.000 0.993 118 N HN 0.486 nan 8.380 nan 0.000 0.426 119 S N 0.692 116.359 115.700 -0.053 0.000 2.355 119 S HA 0.061 4.510 4.470 -0.035 0.000 0.222 119 S C 2.037 176.616 174.600 -0.036 0.000 1.031 119 S CA 0.548 58.718 58.200 -0.050 0.000 0.993 119 S CB -0.188 62.975 63.200 -0.062 0.000 0.859 119 S HN 0.192 nan 8.310 nan 0.000 0.453 120 L N 0.938 122.159 121.223 -0.004 0.000 2.042 120 L HA -0.127 4.193 4.340 -0.035 0.000 0.210 120 L C 2.417 179.274 176.870 -0.021 0.000 1.076 120 L CA 1.209 56.073 54.840 0.040 0.000 0.749 120 L CB -0.542 41.621 42.059 0.172 0.000 0.893 120 L HN 0.343 nan 8.230 nan 0.000 0.432 121 L N -0.696 120.478 121.223 -0.082 0.000 2.056 121 L HA -0.223 4.096 4.340 -0.035 0.000 0.207 121 L C 2.286 179.015 176.870 -0.234 0.000 1.078 121 L CA 1.062 55.739 54.840 -0.271 0.000 0.749 121 L CB -0.668 41.189 42.059 -0.337 0.000 0.901 121 L HN 0.259 nan 8.230 nan 0.000 0.433 122 D N 0.062 120.376 120.400 -0.144 0.000 2.123 122 D HA -0.179 4.440 4.640 -0.035 0.000 0.196 122 D C 1.935 178.188 176.300 -0.078 0.000 0.992 122 D CA 1.136 55.073 54.000 -0.105 0.000 0.833 122 D CB -0.395 40.366 40.800 -0.066 0.000 0.954 122 D HN 0.288 nan 8.370 nan 0.000 0.455 123 N N 0.381 119.044 118.700 -0.063 0.000 2.166 123 N HA -0.078 4.641 4.740 -0.035 0.000 0.186 123 N C 2.088 177.579 175.510 -0.031 0.000 1.019 123 N CA 0.363 53.393 53.050 -0.034 0.000 0.856 123 N CB -0.364 38.111 38.487 -0.020 0.000 0.993 123 N HN 0.278 nan 8.380 nan 0.000 0.426 124 L N 0.541 121.712 121.223 -0.087 0.000 2.027 124 L HA -0.047 4.272 4.340 -0.035 0.000 0.206 124 L C 2.146 179.009 176.870 -0.012 0.000 1.074 124 L CA 0.853 55.641 54.840 -0.086 0.000 0.745 124 L CB -0.374 41.531 42.059 -0.257 0.000 0.898 124 L HN 0.082 nan 8.230 nan 0.000 0.433 125 I N -0.462 120.025 120.570 -0.137 0.000 2.226 125 I HA -0.271 3.878 4.170 -0.035 0.000 0.245 125 I C 2.459 178.661 176.117 0.142 0.000 1.100 125 I CA 1.514 62.837 61.300 0.037 0.000 1.374 125 I CB -0.481 37.450 38.000 -0.114 0.000 1.057 125 I HN 0.258 nan 8.210 nan 0.000 0.413 126 T N -0.203 114.384 114.554 0.056 0.000 2.867 126 T HA -0.134 4.195 4.350 -0.035 0.000 0.268 126 T C 1.909 176.652 174.700 0.071 0.000 1.057 126 T CA 1.340 63.473 62.100 0.055 0.000 1.136 126 T CB -0.151 68.730 68.868 0.022 0.000 0.874 126 T HN 0.307 nan 8.240 nan 0.000 0.466 127 E N 0.097 120.347 120.200 0.083 0.000 2.216 127 E HA 0.363 4.692 4.350 -0.035 0.000 0.192 127 E C 1.157 177.817 176.600 0.100 0.000 0.988 127 E CA 0.249 56.696 56.400 0.078 0.000 0.834 127 E CB -0.563 29.178 29.700 0.069 0.000 0.772 127 E HN 0.802 nan 8.360 nan 0.000 0.479 128 G N 0.157 109.070 108.800 0.188 0.000 2.705 128 G HA2 0.099 4.038 3.960 -0.035 0.000 0.686 128 G HA3 0.099 4.038 3.960 -0.035 0.000 0.686 128 G C 0.050 174.989 174.900 0.066 0.000 1.285 128 G CA -0.718 44.467 45.100 0.142 0.000 0.800 128 G HN 0.834 nan 8.290 nan 0.000 0.611 129 A N 2.711 125.319 122.820 -0.354 0.000 2.466 129 A HA 0.726 5.026 4.320 -0.035 0.000 0.238 129 A C -0.450 177.000 177.584 -0.223 0.000 1.074 129 A CA 0.181 51.894 52.037 -0.540 0.000 0.774 129 A CB -0.198 18.156 19.000 -1.077 0.000 1.015 129 A HN 1.119 nan 8.150 nan 0.000 0.498 130 P HA 0.593 nan 4.420 nan 0.000 0.278 130 P C -0.713 176.647 177.300 0.100 0.000 1.258 130 P CA -0.173 62.894 63.100 -0.054 0.000 0.811 130 P CB 1.462 33.139 31.700 -0.038 0.000 1.063 131 A N 0.564 123.518 122.820 0.224 0.000 2.413 131 A HA 0.490 4.789 4.320 -0.035 0.000 0.307 131 A C -0.937 176.709 177.584 0.103 0.000 1.087 131 A CA -0.474 51.681 52.037 0.197 0.000 0.750 131 A CB 1.128 20.284 19.000 0.260 0.000 1.296 131 A HN 0.528 nan 8.150 nan 0.000 0.423 132 D N 2.037 122.472 120.400 0.059 0.000 2.443 132 D HA 0.328 4.947 4.640 -0.035 0.000 0.221 132 D C 0.621 176.946 176.300 0.041 0.000 1.097 132 D CA -0.275 53.743 54.000 0.031 0.000 0.865 132 D CB 0.547 41.355 40.800 0.014 0.000 1.034 132 D HN 0.395 nan 8.370 nan 0.000 0.511 133 L N 3.053 124.302 121.223 0.044 0.000 2.456 133 L HA -0.003 4.316 4.340 -0.035 0.000 0.224 133 L C 2.325 179.270 176.870 0.126 0.000 1.148 133 L CA 0.404 55.301 54.840 0.095 0.000 0.825 133 L CB -0.061 42.043 42.059 0.074 0.000 0.937 133 L HN 0.366 nan 8.230 nan 0.000 0.450 134 R N 0.382 120.912 120.500 0.049 0.000 2.048 134 R HA -0.047 4.273 4.340 -0.035 0.000 0.224 134 R C 1.989 178.297 176.300 0.013 0.000 1.163 134 R CA 0.950 57.066 56.100 0.026 0.000 0.956 134 R CB 0.025 30.320 30.300 -0.008 0.000 0.849 134 R HN 0.288 nan 8.270 nan 0.000 0.435 135 N N 0.696 119.399 118.700 0.005 0.000 2.309 135 N HA -0.103 4.616 4.740 -0.035 0.000 0.182 135 N C 0.029 175.522 175.510 -0.027 0.000 1.018 135 N CA 1.074 54.116 53.050 -0.014 0.000 0.876 135 N CB 0.116 38.604 38.487 0.002 0.000 0.972 135 N HN 0.333 nan 8.380 nan 0.000 0.434 136 D N -1.545 118.865 120.400 0.018 0.000 2.479 136 D HA 0.156 4.775 4.640 -0.035 0.000 0.218 136 D C 0.456 176.826 176.300 0.117 0.000 1.177 136 D CA -0.125 53.895 54.000 0.033 0.000 0.830 136 D CB 0.477 41.295 40.800 0.030 0.000 1.014 136 D HN 0.196 nan 8.370 nan 0.000 0.503 137 F N 0.373 120.277 119.950 -0.076 0.000 1.835 137 F HA 0.275 4.781 4.527 -0.035 0.000 0.231 137 F C 1.872 177.638 175.800 -0.057 0.000 1.216 137 F CA 0.310 58.262 58.000 -0.080 0.000 1.310 137 F CB -0.118 38.827 39.000 -0.091 0.000 1.827 137 F HN -0.141 nan 8.300 nan 0.000 0.352 138 A N 0.554 123.255 122.820 -0.198 0.000 1.883 138 A HA -0.180 4.119 4.320 -0.035 0.000 0.217 138 A C 1.650 179.151 177.584 -0.138 0.000 1.186 138 A CA 2.486 54.366 52.037 -0.262 0.000 0.624 138 A CB -1.064 17.909 19.000 -0.045 0.000 0.822 138 A HN 0.566 nan 8.150 nan 0.000 0.444 139 D N -0.709 119.622 120.400 -0.115 0.000 2.097 139 D HA -0.050 4.569 4.640 -0.035 0.000 0.197 139 D C -0.450 175.680 176.300 -0.283 0.000 0.984 139 D CA 1.444 55.339 54.000 -0.175 0.000 0.826 139 D CB -1.498 39.172 40.800 -0.218 0.000 0.973 139 D HN 0.303 nan 8.370 nan 0.000 0.460 140 P HA -0.102 nan 4.420 nan 0.000 0.218 140 P C 1.715 178.944 177.300 -0.119 0.000 1.148 140 P CA 0.638 63.616 63.100 -0.204 0.000 0.822 140 P CB 0.044 31.660 31.700 -0.140 0.000 0.784 141 L N -0.236 120.898 121.223 -0.148 0.000 2.056 141 L HA -0.029 4.291 4.340 -0.035 0.000 0.207 141 L C 2.298 179.240 176.870 0.120 0.000 1.078 141 L CA 1.898 56.681 54.840 -0.096 0.000 0.749 141 L CB -1.482 40.373 42.059 -0.340 0.000 0.901 141 L HN -0.115 nan 8.230 nan 0.000 0.433 142 A N -1.722 121.179 122.820 0.136 0.000 1.933 142 A HA -0.180 4.120 4.320 -0.035 0.000 0.218 142 A C 2.260 179.897 177.584 0.087 0.000 1.175 142 A CA 2.250 54.308 52.037 0.036 0.000 0.628 142 A CB -1.079 17.841 19.000 -0.132 0.000 0.814 142 A HN 0.497 nan 8.150 nan 0.000 0.444 143 T N -0.011 114.549 114.554 0.009 0.000 2.770 143 T HA 0.090 4.419 4.350 -0.035 0.000 0.263 143 T C 2.306 177.115 174.700 0.181 0.000 1.039 143 T CA 1.378 63.510 62.100 0.054 0.000 1.142 143 T CB -0.466 68.406 68.868 0.006 0.000 0.868 143 T HN 0.574 nan 8.240 nan 0.000 0.435 144 A N 1.611 124.528 122.820 0.162 0.000 1.892 144 A HA -0.087 4.212 4.320 -0.035 0.000 0.218 144 A C 2.250 180.052 177.584 0.362 0.000 1.188 144 A CA 1.578 53.778 52.037 0.273 0.000 0.631 144 A CB -0.943 18.184 19.000 0.212 0.000 0.822 144 A HN 0.411 nan 8.150 nan 0.000 0.447 145 L N -0.788 120.612 121.223 0.294 0.000 2.012 145 L HA -0.188 4.131 4.340 -0.035 0.000 0.210 145 L C 2.216 179.074 176.870 -0.020 0.000 1.073 145 L CA 2.664 57.619 54.840 0.192 0.000 0.748 145 L CB -0.889 41.235 42.059 0.108 0.000 0.891 145 L HN 0.540 nan 8.230 nan 0.000 0.431 146 H N -2.136 116.966 119.070 0.054 0.000 2.428 146 H HA -0.053 4.482 4.556 -0.034 0.000 0.296 146 H C 2.340 177.787 175.328 0.198 0.000 1.062 146 H CA 1.557 57.633 56.048 0.047 0.000 1.350 146 H CB -0.516 29.123 29.762 -0.204 0.000 1.403 146 H HN 0.398 nan 8.280 nan 0.000 0.533 147 C N 0.478 119.979 119.300 0.335 0.000 2.432 147 C HA -0.130 4.309 4.460 -0.035 0.000 0.277 147 C C 2.655 177.692 174.990 0.079 0.000 1.249 147 C CA 1.205 60.382 59.018 0.265 0.000 1.725 147 C CB -0.400 27.487 27.740 0.245 0.000 2.028 147 C HN 0.473 nan 8.230 nan 0.000 0.477 148 K N 1.147 121.514 120.400 -0.055 0.000 2.026 148 K HA -0.085 4.214 4.320 -0.035 0.000 0.208 148 K C 1.775 178.291 176.600 -0.140 0.000 1.048 148 K CA 1.513 57.647 56.287 -0.255 0.000 0.929 148 K CB -0.643 31.445 32.500 -0.687 0.000 0.713 148 K HN 0.277 nan 8.250 nan 0.000 0.439 149 V N 0.717 120.577 119.914 -0.089 0.000 2.392 149 V HA -0.217 3.882 4.120 -0.035 0.000 0.249 149 V C 2.061 178.158 176.094 0.005 0.000 1.059 149 V CA 1.556 63.822 62.300 -0.056 0.000 1.051 149 V CB -0.390 31.378 31.823 -0.092 0.000 0.658 149 V HN 0.229 nan 8.190 nan 0.000 0.455 150 L N 0.119 121.385 121.223 0.073 0.000 2.341 150 L HA 0.267 4.587 4.340 -0.035 0.000 0.214 150 L C 1.824 178.718 176.870 0.040 0.000 1.115 150 L CA 1.587 56.486 54.840 0.098 0.000 0.820 150 L CB -0.624 41.559 42.059 0.206 0.000 0.944 150 L HN 0.495 nan 8.230 nan 0.000 0.452 151 G N 0.031 108.837 108.800 0.010 0.000 2.136 151 G HA2 -0.259 3.680 3.960 -0.035 0.000 0.242 151 G HA3 -0.259 3.680 3.960 -0.035 0.000 0.242 151 G C 0.447 175.349 174.900 0.004 0.000 0.989 151 G CA 0.390 45.480 45.100 -0.017 0.000 0.682 151 G HN 0.437 nan 8.290 nan 0.000 0.522 152 I N -2.181 118.418 120.570 0.048 0.000 2.676 152 I HA 0.765 4.914 4.170 -0.035 0.000 0.309 152 I C -2.149 174.016 176.117 0.080 0.000 0.990 152 I CA -3.118 58.230 61.300 0.079 0.000 1.168 152 I CB 1.300 39.396 38.000 0.159 0.000 1.343 152 I HN -0.155 nan 8.210 nan 0.000 0.482 153 P HA 0.047 nan 4.420 nan 0.000 0.265 153 P C 0.058 177.414 177.300 0.093 0.000 1.193 153 P CA -0.114 63.032 63.100 0.077 0.000 0.765 153 P CB 0.503 32.251 31.700 0.079 0.000 0.823 154 Q N 2.501 122.356 119.800 0.092 0.000 2.181 154 Q HA -0.212 4.108 4.340 -0.035 0.000 0.205 154 Q C 1.638 177.696 176.000 0.096 0.000 0.980 154 Q CA 1.770 57.644 55.803 0.119 0.000 0.862 154 Q CB -0.262 28.561 28.738 0.142 0.000 0.905 154 Q HN 0.714 nan 8.270 nan 0.000 0.429 155 E N 0.179 120.422 120.200 0.072 0.000 2.409 155 E HA -0.147 4.182 4.350 -0.035 0.000 0.198 155 E C 0.479 177.096 176.600 0.028 0.000 1.024 155 E CA 0.980 57.411 56.400 0.051 0.000 0.861 155 E CB 0.057 29.783 29.700 0.043 0.000 0.788 155 E HN 0.137 nan 8.360 nan 0.000 0.521 156 D N 0.749 121.162 120.400 0.022 0.000 2.348 156 D HA 0.029 4.648 4.640 -0.035 0.000 0.211 156 D C 1.809 178.031 176.300 -0.131 0.000 0.998 156 D CA 0.850 54.803 54.000 -0.079 0.000 0.873 156 D CB 0.093 40.860 40.800 -0.056 0.000 0.925 156 D HN 0.380 nan 8.370 nan 0.000 0.524 157 G N 2.000 110.809 108.800 0.015 0.000 2.404 157 G HA2 -0.176 3.763 3.960 -0.035 0.000 0.215 157 G HA3 -0.176 3.763 3.960 -0.035 0.000 0.215 157 G C -0.669 174.335 174.900 0.174 0.000 1.174 157 G CA 0.324 45.506 45.100 0.136 0.000 0.780 157 G HN 0.275 nan 8.290 nan 0.000 0.537 158 P HA -0.128 nan 4.420 nan 0.000 0.215 158 P C 2.249 179.642 177.300 0.154 0.000 1.157 158 P CA 2.540 65.730 63.100 0.150 0.000 0.874 158 P CB -0.177 31.568 31.700 0.076 0.000 0.790 159 K N -0.337 120.079 120.400 0.026 0.000 2.032 159 K HA -0.109 4.190 4.320 -0.035 0.000 0.209 159 K C 2.214 178.776 176.600 -0.064 0.000 1.048 159 K CA 1.444 57.711 56.287 -0.033 0.000 0.927 159 K CB -2.130 30.304 32.500 -0.110 0.000 0.712 159 K HN 0.163 nan 8.250 nan 0.000 0.441 160 L N -0.592 120.529 121.223 -0.171 0.000 2.046 160 L HA 0.028 4.347 4.340 -0.035 0.000 0.208 160 L C 2.691 179.633 176.870 0.119 0.000 1.077 160 L CA 1.964 56.660 54.840 -0.240 0.000 0.747 160 L CB -0.647 40.919 42.059 -0.823 0.000 0.896 160 L HN 0.268 nan 8.230 nan 0.000 0.432 161 F N 1.337 121.406 119.950 0.198 0.000 2.171 161 F HA -0.269 4.239 4.527 -0.033 0.000 0.300 161 F C 2.802 178.699 175.800 0.161 0.000 1.090 161 F CA 1.953 60.120 58.000 0.278 0.000 1.293 161 F CB -0.448 38.677 39.000 0.209 0.000 1.013 161 F HN -0.068 nan 8.300 nan 0.000 0.486 162 R N 0.147 120.676 120.500 0.048 0.000 2.189 162 R HA -0.048 4.271 4.340 -0.035 0.000 0.223 162 R C 2.153 178.409 176.300 -0.074 0.000 1.092 162 R CA 1.530 57.605 56.100 -0.042 0.000 0.989 162 R CB -1.919 28.418 30.300 0.062 0.000 0.876 162 R HN 0.449 nan 8.270 nan 0.000 0.457 163 S N 0.982 116.663 115.700 -0.031 0.000 2.419 163 S HA 0.003 4.452 4.470 -0.035 0.000 0.233 163 S C 1.933 176.557 174.600 0.040 0.000 1.016 163 S CA 1.232 59.442 58.200 0.016 0.000 0.974 163 S CB -0.190 63.042 63.200 0.053 0.000 0.786 163 S HN 0.535 nan 8.310 nan 0.000 0.492 164 L N 1.735 122.946 121.223 -0.020 0.000 2.217 164 L HA -0.055 4.264 4.340 -0.035 0.000 0.211 164 L C 2.591 179.602 176.870 0.234 0.000 1.107 164 L CA 1.171 56.082 54.840 0.118 0.000 0.783 164 L CB -0.813 41.218 42.059 -0.046 0.000 0.919 164 L HN 0.418 nan 8.230 nan 0.000 0.442 165 S N -0.270 115.462 115.700 0.053 0.000 2.447 165 S HA -0.073 4.377 4.470 -0.035 0.000 0.233 165 S C 1.743 176.495 174.600 0.253 0.000 1.006 165 S CA 0.776 59.025 58.200 0.081 0.000 0.957 165 S CB -0.269 62.867 63.200 -0.107 0.000 0.773 165 S HN 0.426 nan 8.310 nan 0.000 0.507 166 I N 1.056 121.731 120.570 0.175 0.000 3.039 166 I HA 0.195 4.344 4.170 -0.035 0.000 0.270 166 I C 2.918 179.092 176.117 0.095 0.000 1.150 166 I CA 0.619 61.999 61.300 0.133 0.000 1.448 166 I CB -0.510 37.528 38.000 0.063 0.000 1.197 166 I HN 0.353 nan 8.210 nan 0.000 0.450 167 A N 0.943 123.807 122.820 0.074 0.000 1.940 167 A HA -0.163 4.136 4.320 -0.035 0.000 0.219 167 A C 1.588 178.926 177.584 -0.410 0.000 1.176 167 A CA 1.663 53.633 52.037 -0.111 0.000 0.631 167 A CB -0.781 18.194 19.000 -0.042 0.000 0.814 167 A HN 0.424 nan 8.150 nan 0.000 0.446 168 F N -0.554 119.317 119.950 -0.130 0.000 2.730 168 F HA 0.373 4.880 4.527 -0.033 0.000 0.295 168 F C 0.733 176.107 175.800 -0.711 0.000 1.143 168 F CA -0.290 57.423 58.000 -0.479 0.000 1.367 168 F CB -0.260 38.338 39.000 -0.671 0.000 0.970 168 F HN 0.039 nan 8.300 nan 0.000 0.514 169 M N -0.040 119.502 119.600 -0.097 0.000 2.245 169 M HA 0.030 4.489 4.480 -0.035 0.000 0.330 169 M C 0.713 176.964 176.300 -0.083 0.000 1.098 169 M CA 0.398 55.727 55.300 0.048 0.000 1.172 169 M CB 0.703 33.375 32.600 0.121 0.000 1.467 169 M HN -0.065 nan 8.290 nan 0.000 0.454 170 S N 1.796 117.484 115.700 -0.021 0.000 2.426 170 S HA 0.349 4.798 4.470 -0.035 0.000 0.236 170 S C -0.740 173.853 174.600 -0.012 0.000 1.368 170 S CA -0.508 57.667 58.200 -0.042 0.000 1.154 170 S CB 0.415 63.592 63.200 -0.039 0.000 1.037 170 S HN 0.659 nan 8.310 nan 0.000 0.481 171 S N 3.016 118.699 115.700 -0.027 0.000 2.537 171 S HA 0.706 5.155 4.470 -0.035 0.000 0.301 171 S C 1.144 175.727 174.600 -0.029 0.000 1.092 171 S CA -0.215 57.974 58.200 -0.017 0.000 1.048 171 S CB 1.398 64.587 63.200 -0.019 0.000 1.053 171 S HN 0.804 nan 8.310 nan 0.000 0.501 172 A N 3.042 125.849 122.820 -0.021 0.000 2.015 172 A HA 0.151 4.450 4.320 -0.035 0.000 0.219 172 A C 0.330 177.896 177.584 -0.030 0.000 1.163 172 A CA 1.049 53.071 52.037 -0.026 0.000 0.646 172 A CB -0.272 18.717 19.000 -0.020 0.000 0.806 172 A HN 0.797 nan 8.150 nan 0.000 0.448 173 D N -1.538 118.845 120.400 -0.028 0.000 2.490 173 D HA 0.482 5.101 4.640 -0.035 0.000 0.232 173 D C -2.951 173.327 176.300 -0.036 0.000 1.053 173 D CA -1.706 52.276 54.000 -0.030 0.000 0.914 173 D CB 0.808 41.595 40.800 -0.021 0.000 1.431 173 D HN -0.168 nan 8.370 nan 0.000 0.483 174 P HA 0.108 nan 4.420 nan 0.000 0.266 174 P C -0.432 176.845 177.300 -0.037 0.000 1.193 174 P CA 0.289 63.360 63.100 -0.048 0.000 0.770 174 P CB 0.491 32.164 31.700 -0.045 0.000 0.836 175 I N 4.594 125.139 120.570 -0.042 0.000 2.390 175 I HA 0.216 4.365 4.170 -0.035 0.000 0.283 175 I C -1.501 174.605 176.117 -0.018 0.000 1.016 175 I CA -2.103 59.182 61.300 -0.025 0.000 1.151 175 I CB 1.789 39.775 38.000 -0.024 0.000 1.293 175 I HN 0.256 nan 8.210 nan 0.000 0.458 176 P HA -0.249 nan 4.420 nan 0.000 0.216 176 P C 1.562 178.870 177.300 0.012 0.000 1.154 176 P CA 1.332 64.433 63.100 0.001 0.000 0.865 176 P CB 0.293 31.995 31.700 0.003 0.000 0.789 177 A N -0.332 122.496 122.820 0.014 0.000 1.972 177 A HA -0.089 4.210 4.320 -0.035 0.000 0.219 177 A C 2.306 179.912 177.584 0.036 0.000 1.169 177 A CA 1.922 53.973 52.037 0.024 0.000 0.635 177 A CB -1.467 17.546 19.000 0.021 0.000 0.810 177 A HN 0.212 nan 8.150 nan 0.000 0.446 178 A N 0.005 122.839 122.820 0.023 0.000 1.877 178 A HA -0.193 4.106 4.320 -0.035 0.000 0.216 178 A C 2.143 179.775 177.584 0.080 0.000 1.186 178 A CA 2.015 54.069 52.037 0.027 0.000 0.620 178 A CB -0.469 18.509 19.000 -0.037 0.000 0.822 178 A HN 0.550 nan 8.150 nan 0.000 0.443 179 K N -0.304 120.128 120.400 0.054 0.000 2.057 179 K HA -0.091 4.208 4.320 -0.035 0.000 0.207 179 K C 1.858 178.539 176.600 0.136 0.000 1.049 179 K CA 1.480 57.827 56.287 0.100 0.000 0.931 179 K CB -0.335 32.190 32.500 0.042 0.000 0.714 179 K HN 0.514 nan 8.250 nan 0.000 0.440 180 I N 1.661 122.282 120.570 0.085 0.000 2.127 180 I HA -0.349 3.800 4.170 -0.035 0.000 0.241 180 I C 1.954 178.119 176.117 0.080 0.000 1.075 180 I CA 1.313 62.655 61.300 0.070 0.000 1.334 180 I CB -0.456 37.570 38.000 0.044 0.000 1.040 180 I HN 0.264 nan 8.210 nan 0.000 0.405 181 N N 0.099 118.852 118.700 0.088 0.000 2.188 181 N HA -0.204 4.515 4.740 -0.035 0.000 0.184 181 N C 1.533 177.102 175.510 0.098 0.000 1.018 181 N CA 1.053 54.147 53.050 0.073 0.000 0.858 181 N CB -0.455 38.075 38.487 0.071 0.000 0.989 181 N HN 0.539 nan 8.380 nan 0.000 0.426 182 W N 2.620 123.913 121.300 -0.011 0.000 2.317 182 W HA -0.212 4.432 4.660 -0.026 0.000 0.318 182 W C 0.853 177.379 176.519 0.011 0.000 1.227 182 W CA 1.505 58.846 57.345 -0.005 0.000 1.269 182 W CB -0.201 29.247 29.460 -0.020 0.000 1.155 182 W HN 0.058 nan 8.180 nan 0.000 0.484 183 D N -0.356 120.117 120.400 0.121 0.000 2.117 183 D HA -0.167 4.452 4.640 -0.035 0.000 0.197 183 D C 2.349 178.619 176.300 -0.050 0.000 0.987 183 D CA 1.796 55.813 54.000 0.027 0.000 0.829 183 D CB -0.763 40.098 40.800 0.103 0.000 0.961 183 D HN -0.003 nan 8.370 nan 0.000 0.460 184 R N 0.835 121.322 120.500 -0.022 0.000 2.073 184 R HA -0.114 4.205 4.340 -0.035 0.000 0.234 184 R C 1.565 177.835 176.300 -0.051 0.000 1.134 184 R CA 1.655 57.741 56.100 -0.024 0.000 0.952 184 R CB -0.908 29.386 30.300 -0.010 0.000 0.850 184 R HN 0.236 nan 8.270 nan 0.000 0.433 185 D N 0.262 120.594 120.400 -0.113 0.000 2.144 185 D HA -0.033 4.586 4.640 -0.035 0.000 0.200 185 D C 2.032 178.228 176.300 -0.174 0.000 0.978 185 D CA 1.368 55.281 54.000 -0.145 0.000 0.833 185 D CB -0.248 40.431 40.800 -0.202 0.000 0.961 185 D HN 0.288 nan 8.370 nan 0.000 0.470 186 I N 1.441 121.798 120.570 -0.355 0.000 2.163 186 I HA -0.203 3.947 4.170 -0.035 0.000 0.243 186 I C 2.166 178.203 176.117 -0.134 0.000 1.085 186 I CA 1.232 62.342 61.300 -0.316 0.000 1.347 186 I CB -0.754 37.002 38.000 -0.407 0.000 1.044 186 I HN 0.021 nan 8.210 nan 0.000 0.408 187 E N -0.022 120.128 120.200 -0.084 0.000 2.110 187 E HA -0.259 4.070 4.350 -0.035 0.000 0.193 187 E C 2.091 178.674 176.600 -0.028 0.000 0.988 187 E CA 1.181 57.558 56.400 -0.039 0.000 0.804 187 E CB -0.743 28.948 29.700 -0.015 0.000 0.745 187 E HN 0.588 nan 8.360 nan 0.000 0.458 188 Y N 0.922 121.160 120.300 -0.104 0.000 2.128 188 Y HA -0.219 4.310 4.550 -0.035 0.000 0.284 188 Y C 2.179 178.023 175.900 -0.093 0.000 1.154 188 Y CA 1.719 59.761 58.100 -0.096 0.000 1.149 188 Y CB -0.132 38.258 38.460 -0.117 0.000 0.976 188 Y HN -0.072 nan 8.280 nan 0.000 0.505 189 M N -0.030 119.470 119.600 -0.166 0.000 2.254 189 M HA -0.075 4.385 4.480 -0.035 0.000 0.265 189 M C 2.450 178.634 176.300 -0.193 0.000 1.066 189 M CA 1.395 56.568 55.300 -0.211 0.000 1.123 189 M CB -1.631 30.938 32.600 -0.052 0.000 1.388 189 M HN 0.497 nan 8.290 nan 0.000 0.425 190 A N 0.373 123.111 122.820 -0.137 0.000 1.902 190 A HA -0.025 4.274 4.320 -0.035 0.000 0.217 190 A C 2.418 179.918 177.584 -0.141 0.000 1.181 190 A CA 1.969 53.945 52.037 -0.100 0.000 0.623 190 A CB -1.421 17.543 19.000 -0.059 0.000 0.818 190 A HN 0.497 nan 8.150 nan 0.000 0.443 191 G N -0.074 108.613 108.800 -0.187 0.000 2.422 191 G HA2 -0.169 3.770 3.960 -0.035 0.000 0.218 191 G HA3 -0.169 3.770 3.960 -0.035 0.000 0.218 191 G C 1.415 176.169 174.900 -0.242 0.000 1.146 191 G CA 1.046 46.029 45.100 -0.196 0.000 0.769 191 G HN 0.362 nan 8.290 nan 0.000 0.547 192 I N 0.827 121.180 120.570 -0.363 0.000 2.208 192 I HA -0.101 4.048 4.170 -0.035 0.000 0.245 192 I C 2.766 178.766 176.117 -0.195 0.000 1.097 192 I CA 1.011 62.122 61.300 -0.315 0.000 1.363 192 I CB -0.814 36.952 38.000 -0.390 0.000 1.051 192 I HN 0.174 nan 8.210 nan 0.000 0.413 193 L N 0.008 121.127 121.223 -0.173 0.000 2.275 193 L HA -0.143 4.176 4.340 -0.035 0.000 0.215 193 L C 2.135 178.919 176.870 -0.143 0.000 1.119 193 L CA 0.908 55.656 54.840 -0.155 0.000 0.790 193 L CB -0.363 41.608 42.059 -0.146 0.000 0.919 193 L HN 0.199 nan 8.230 nan 0.000 0.443 194 E N -0.598 119.526 120.200 -0.128 0.000 2.474 194 E HA 0.024 4.353 4.350 -0.035 0.000 0.194 194 E C 0.266 176.809 176.600 -0.095 0.000 1.041 194 E CA -0.016 56.322 56.400 -0.103 0.000 0.874 194 E CB -0.004 29.643 29.700 -0.087 0.000 0.914 194 E HN 0.242 nan 8.360 nan 0.000 0.498 195 N N 2.511 121.146 118.700 -0.107 0.000 2.401 195 N HA 0.032 4.751 4.740 -0.035 0.000 0.255 195 N C -1.628 173.834 175.510 -0.079 0.000 1.110 195 N CA -1.662 51.333 53.050 -0.091 0.000 0.949 195 N CB 1.317 39.741 38.487 -0.106 0.000 1.110 195 N HN -0.145 nan 8.380 nan 0.000 0.490 196 P HA -0.072 nan 4.420 nan 0.000 0.220 196 P C 0.332 177.600 177.300 -0.052 0.000 1.148 196 P CA 0.911 63.977 63.100 -0.058 0.000 0.803 196 P CB 0.466 32.138 31.700 -0.047 0.000 0.782 197 N N -0.173 118.498 118.700 -0.047 0.000 2.550 197 N HA -0.014 4.705 4.740 -0.035 0.000 0.186 197 N C 0.603 176.087 175.510 -0.044 0.000 1.110 197 N CA 0.585 53.612 53.050 -0.039 0.000 0.912 197 N CB -0.222 38.247 38.487 -0.030 0.000 0.968 197 N HN 0.215 nan 8.380 nan 0.000 0.448 198 I N 1.606 122.142 120.570 -0.057 0.000 2.281 198 I HA 0.071 4.220 4.170 -0.035 0.000 0.293 198 I C 1.155 177.235 176.117 -0.063 0.000 1.085 198 I CA 0.314 61.579 61.300 -0.059 0.000 1.257 198 I CB 0.070 38.025 38.000 -0.075 0.000 1.430 198 I HN -0.008 nan 8.210 nan 0.000 0.489 199 T N -0.074 114.448 114.554 -0.054 0.000 3.004 199 T HA 0.127 4.456 4.350 -0.035 0.000 0.266 199 T C 0.707 175.376 174.700 -0.052 0.000 0.986 199 T CA -0.081 61.986 62.100 -0.055 0.000 0.902 199 T CB 0.261 69.101 68.868 -0.047 0.000 1.118 199 T HN 0.505 nan 8.240 nan 0.000 0.522 200 T N -1.250 113.274 114.554 -0.050 0.000 2.927 200 T HA 0.721 5.050 4.350 -0.035 0.000 0.286 200 T C 0.766 175.436 174.700 -0.050 0.000 1.040 200 T CA -0.139 61.931 62.100 -0.050 0.000 1.010 200 T CB 1.220 70.057 68.868 -0.052 0.000 1.177 200 T HN 1.256 nan 8.240 nan 0.000 0.546 201 G N 0.229 108.999 108.800 -0.050 0.000 2.750 201 G HA2 -0.104 3.835 3.960 -0.035 0.000 0.228 201 G HA3 -0.104 3.835 3.960 -0.035 0.000 0.228 201 G C 0.350 175.225 174.900 -0.042 0.000 1.367 201 G CA 0.008 45.082 45.100 -0.043 0.000 0.871 201 G HN 1.442 nan 8.290 nan 0.000 0.560 202 L N -0.451 120.753 121.223 -0.032 0.000 2.013 202 L HA -0.054 4.265 4.340 -0.035 0.000 0.212 202 L C 2.990 179.836 176.870 -0.040 0.000 1.073 202 L CA 3.341 58.154 54.840 -0.044 0.000 0.753 202 L CB -0.494 41.541 42.059 -0.040 0.000 0.890 202 L HN 0.660 nan 8.230 nan 0.000 0.432 203 M N -0.683 118.905 119.600 -0.021 0.000 2.175 203 M HA -0.005 4.454 4.480 -0.035 0.000 0.264 203 M C 2.322 178.579 176.300 -0.072 0.000 1.063 203 M CA 1.384 56.662 55.300 -0.035 0.000 1.119 203 M CB -2.288 30.297 32.600 -0.024 0.000 1.377 203 M HN 0.406 nan 8.290 nan 0.000 0.415 204 G N -0.047 108.713 108.800 -0.066 0.000 2.446 204 G HA2 -0.262 3.677 3.960 -0.035 0.000 0.217 204 G HA3 -0.262 3.677 3.960 -0.035 0.000 0.217 204 G C 1.577 176.420 174.900 -0.095 0.000 1.168 204 G CA 1.298 46.351 45.100 -0.079 0.000 0.771 204 G HN 0.444 nan 8.290 nan 0.000 0.551 205 E N 0.462 120.609 120.200 -0.088 0.000 2.047 205 E HA 0.007 4.336 4.350 -0.035 0.000 0.191 205 E C 2.572 179.087 176.600 -0.140 0.000 0.987 205 E CA 0.620 56.959 56.400 -0.101 0.000 0.799 205 E CB -0.474 29.176 29.700 -0.083 0.000 0.752 205 E HN 0.423 nan 8.360 nan 0.000 0.449 206 L N 0.055 121.205 121.223 -0.122 0.000 2.083 206 L HA -0.157 4.162 4.340 -0.035 0.000 0.209 206 L C 2.606 179.258 176.870 -0.364 0.000 1.083 206 L CA 1.357 56.106 54.840 -0.151 0.000 0.752 206 L CB -0.595 41.475 42.059 0.019 0.000 0.899 206 L HN 0.182 nan 8.230 nan 0.000 0.433 207 S N -0.231 115.310 115.700 -0.266 0.000 2.368 207 S HA -0.164 4.285 4.470 -0.035 0.000 0.225 207 S C 2.141 176.578 174.600 -0.273 0.000 1.030 207 S CA 1.162 59.193 58.200 -0.283 0.000 0.999 207 S CB -0.025 63.064 63.200 -0.184 0.000 0.844 207 S HN 0.326 nan 8.310 nan 0.000 0.459 208 R N 0.214 120.586 120.500 -0.212 0.000 2.066 208 R HA 0.074 4.393 4.340 -0.035 0.000 0.232 208 R C 2.359 178.538 176.300 -0.202 0.000 1.131 208 R CA 1.495 57.493 56.100 -0.170 0.000 0.955 208 R CB -0.501 29.729 30.300 -0.116 0.000 0.851 208 R HN 0.413 nan 8.270 nan 0.000 0.432 209 L N 0.125 121.179 121.223 -0.281 0.000 2.131 209 L HA -0.136 4.183 4.340 -0.035 0.000 0.210 209 L C 2.675 179.366 176.870 -0.298 0.000 1.092 209 L CA 1.052 55.675 54.840 -0.362 0.000 0.759 209 L CB -0.405 41.298 42.059 -0.594 0.000 0.903 209 L HN 0.189 nan 8.230 nan 0.000 0.435 210 R N 0.589 120.758 120.500 -0.551 0.000 2.127 210 R HA -0.140 4.179 4.340 -0.035 0.000 0.238 210 R C 1.543 177.715 176.300 -0.214 0.000 1.134 210 R CA 1.156 56.889 56.100 -0.611 0.000 0.975 210 R CB 0.183 29.897 30.300 -0.976 0.000 0.865 210 R HN 0.158 nan 8.270 nan 0.000 0.447 211 K N 0.291 120.592 120.400 -0.165 0.000 2.358 211 K HA 0.065 4.364 4.320 -0.035 0.000 0.197 211 K C -0.389 176.197 176.600 -0.023 0.000 1.025 211 K CA -0.059 56.178 56.287 -0.084 0.000 1.104 211 K CB 0.456 32.899 32.500 -0.094 0.000 0.855 211 K HN 0.159 nan 8.250 nan 0.000 0.531 212 D N 2.402 122.815 120.400 0.023 0.000 2.277 212 D HA 0.067 4.686 4.640 -0.035 0.000 0.249 212 D C -1.566 174.811 176.300 0.128 0.000 1.134 212 D CA -1.951 52.108 54.000 0.099 0.000 0.863 212 D CB 1.877 42.793 40.800 0.194 0.000 1.143 212 D HN -0.117 nan 8.370 nan 0.000 0.458 213 P HA -0.114 nan 4.420 nan 0.000 0.219 213 P C 0.928 178.247 177.300 0.032 0.000 1.146 213 P CA 0.711 63.834 63.100 0.038 0.000 0.808 213 P CB 0.106 31.817 31.700 0.018 0.000 0.779 214 A N -1.594 121.243 122.820 0.029 0.000 2.178 214 A HA -0.122 4.177 4.320 -0.035 0.000 0.218 214 A C 0.977 178.347 177.584 -0.357 0.000 1.157 214 A CA 0.983 52.926 52.037 -0.156 0.000 0.689 214 A CB -1.254 17.614 19.000 -0.221 0.000 0.787 214 A HN 0.235 nan 8.150 nan 0.000 0.465 215 Y N -0.910 119.430 120.300 0.066 0.000 2.707 215 Y HA 0.101 4.630 4.550 -0.035 0.000 0.249 215 Y C 2.070 178.032 175.900 0.103 0.000 1.166 215 Y CA 0.011 58.180 58.100 0.115 0.000 1.184 215 Y CB -0.119 38.454 38.460 0.188 0.000 1.240 215 Y HN 0.342 nan 8.280 nan 0.000 0.547 216 S N -0.908 114.856 115.700 0.105 0.000 2.402 216 S HA -0.238 4.211 4.470 -0.035 0.000 0.233 216 S C 1.196 175.690 174.600 -0.177 0.000 1.030 216 S CA 1.789 59.945 58.200 -0.073 0.000 1.003 216 S CB -0.418 62.643 63.200 -0.232 0.000 0.813 216 S HN 0.518 nan 8.310 nan 0.000 0.477 217 H N 0.469 119.603 119.070 0.107 0.000 2.529 217 H HA 0.415 4.950 4.556 -0.035 0.000 0.277 217 H C 0.039 175.419 175.328 0.087 0.000 1.004 217 H CA -0.107 55.990 56.048 0.082 0.000 1.167 217 H CB 0.041 29.830 29.762 0.045 0.000 1.445 217 H HN 0.270 nan 8.280 nan 0.000 0.554 218 V N 2.848 122.882 119.914 0.200 0.000 2.637 218 V HA -0.007 4.092 4.120 -0.035 0.000 0.296 218 V C 0.993 177.160 176.094 0.120 0.000 1.046 218 V CA -0.310 62.048 62.300 0.097 0.000 1.066 218 V CB 1.185 33.022 31.823 0.024 0.000 0.968 218 V HN 0.372 nan 8.190 nan 0.000 0.483 219 S N 2.462 118.171 115.700 0.015 0.000 2.601 219 S HA 0.174 4.623 4.470 -0.035 0.000 0.271 219 S C 0.664 175.358 174.600 0.157 0.000 1.305 219 S CA -0.605 57.645 58.200 0.084 0.000 1.022 219 S CB 1.130 64.359 63.200 0.048 0.000 0.940 219 S HN 0.681 nan 8.310 nan 0.000 0.525 220 D N 1.148 121.682 120.400 0.223 0.000 2.178 220 D HA -0.095 4.524 4.640 -0.035 0.000 0.201 220 D C 1.700 178.108 176.300 0.179 0.000 0.980 220 D CA 1.474 55.637 54.000 0.271 0.000 0.842 220 D CB -0.303 40.581 40.800 0.141 0.000 0.948 220 D HN 0.847 nan 8.370 nan 0.000 0.472 221 E N 0.646 120.908 120.200 0.104 0.000 2.058 221 E HA -0.163 4.166 4.350 -0.035 0.000 0.194 221 E C 1.926 178.562 176.600 0.061 0.000 0.997 221 E CA 0.619 57.068 56.400 0.081 0.000 0.801 221 E CB -0.438 29.311 29.700 0.081 0.000 0.746 221 E HN 0.178 nan 8.360 nan 0.000 0.450 222 L N -0.330 120.883 121.223 -0.018 0.000 2.046 222 L HA -0.038 4.281 4.340 -0.035 0.000 0.208 222 L C 2.094 178.895 176.870 -0.116 0.000 1.077 222 L CA 1.708 56.487 54.840 -0.102 0.000 0.747 222 L CB -0.714 41.209 42.059 -0.228 0.000 0.896 222 L HN 0.228 nan 8.230 nan 0.000 0.432 223 F N -0.360 119.609 119.950 0.032 0.000 2.102 223 F HA -0.215 4.292 4.527 -0.034 0.000 0.298 223 F C 2.523 178.322 175.800 -0.001 0.000 1.105 223 F CA 1.327 59.327 58.000 0.001 0.000 1.239 223 F CB -0.951 38.034 39.000 -0.026 0.000 0.991 223 F HN 0.189 nan 8.300 nan 0.000 0.474 224 A N -0.196 122.727 122.820 0.171 0.000 1.908 224 A HA -0.194 4.105 4.320 -0.035 0.000 0.218 224 A C 2.183 179.786 177.584 0.031 0.000 1.181 224 A CA 2.343 54.416 52.037 0.059 0.000 0.627 224 A CB -1.351 17.653 19.000 0.007 0.000 0.818 224 A HN 0.357 nan 8.150 nan 0.000 0.445 225 T N 0.520 115.113 114.554 0.064 0.000 2.684 225 T HA -0.141 4.188 4.350 -0.035 0.000 0.267 225 T C 1.782 176.600 174.700 0.196 0.000 1.036 225 T CA 1.607 63.782 62.100 0.124 0.000 1.148 225 T CB -0.503 68.498 68.868 0.222 0.000 0.863 225 T HN 0.445 nan 8.240 nan 0.000 0.436 226 I N 1.295 121.979 120.570 0.190 0.000 2.151 226 I HA -0.183 3.966 4.170 -0.035 0.000 0.243 226 I C 2.903 179.198 176.117 0.298 0.000 1.080 226 I CA 1.476 62.933 61.300 0.262 0.000 1.339 226 I CB -0.914 37.153 38.000 0.111 0.000 1.039 226 I HN 0.323 nan 8.210 nan 0.000 0.409 227 G N 0.598 109.511 108.800 0.188 0.000 2.459 227 G HA2 -0.214 3.725 3.960 -0.035 0.000 0.217 227 G HA3 -0.214 3.725 3.960 -0.035 0.000 0.217 227 G C 1.693 176.737 174.900 0.239 0.000 1.183 227 G CA 1.215 46.430 45.100 0.191 0.000 0.776 227 G HN 0.266 nan 8.290 nan 0.000 0.552 228 V N 1.682 121.671 119.914 0.126 0.000 2.295 228 V HA -0.201 3.898 4.120 -0.035 0.000 0.246 228 V C 3.359 179.613 176.094 0.266 0.000 1.049 228 V CA 2.565 64.912 62.300 0.079 0.000 1.024 228 V CB -1.160 30.482 31.823 -0.301 0.000 0.648 228 V HN 0.686 nan 8.190 nan 0.000 0.447 229 T N -1.802 112.942 114.554 0.318 0.000 2.777 229 T HA -0.178 4.152 4.350 -0.035 0.000 0.266 229 T C 1.794 176.632 174.700 0.230 0.000 1.040 229 T CA 1.583 63.878 62.100 0.326 0.000 1.141 229 T CB -0.555 68.496 68.868 0.306 0.000 0.868 229 T HN 0.303 nan 8.240 nan 0.000 0.444 230 F N 0.286 120.371 119.950 0.226 0.000 2.234 230 F HA 0.243 4.750 4.527 -0.033 0.000 0.296 230 F C 2.030 177.957 175.800 0.211 0.000 1.089 230 F CA 0.043 58.165 58.000 0.203 0.000 1.343 230 F CB -0.687 38.426 39.000 0.188 0.000 1.040 230 F HN 0.143 nan 8.300 nan 0.000 0.498 231 F N 0.680 120.791 119.950 0.269 0.000 2.069 231 F HA -0.116 4.389 4.527 -0.036 0.000 0.298 231 F C 2.443 178.257 175.800 0.022 0.000 1.113 231 F CA 1.976 60.069 58.000 0.155 0.000 1.214 231 F CB -0.928 38.169 39.000 0.161 0.000 0.978 231 F HN -0.050 nan 8.300 nan 0.000 0.474 232 G N -0.493 108.525 108.800 0.364 0.000 2.421 232 G HA2 -0.234 3.705 3.960 -0.035 0.000 0.216 232 G HA3 -0.234 3.705 3.960 -0.035 0.000 0.216 232 G C 1.770 176.630 174.900 -0.068 0.000 1.171 232 G CA 0.843 46.117 45.100 0.290 0.000 0.775 232 G HN 0.625 nan 8.290 nan 0.000 0.543 233 A N 0.693 123.515 122.820 0.004 0.000 1.933 233 A HA 0.186 4.485 4.320 -0.035 0.000 0.218 233 A C 2.661 180.064 177.584 -0.302 0.000 1.175 233 A CA 2.108 54.048 52.037 -0.163 0.000 0.628 233 A CB -0.920 18.018 19.000 -0.102 0.000 0.814 233 A HN 0.515 nan 8.150 nan 0.000 0.444 234 G N -0.840 107.758 108.800 -0.338 0.000 2.395 234 G HA2 -0.008 3.931 3.960 -0.035 0.000 0.214 234 G HA3 -0.008 3.931 3.960 -0.035 0.000 0.214 234 G C 1.489 175.885 174.900 -0.841 0.000 1.177 234 G CA 1.072 45.901 45.100 -0.452 0.000 0.794 234 G HN 0.283 nan 8.290 nan 0.000 0.532 235 V N 0.758 120.029 119.914 -1.072 0.000 2.358 235 V HA -0.108 3.991 4.120 -0.035 0.000 0.246 235 V C 2.603 178.462 176.094 -0.391 0.000 1.047 235 V CA 1.383 63.223 62.300 -0.767 0.000 1.035 235 V CB -0.284 31.078 31.823 -0.769 0.000 0.658 235 V HN 0.316 nan 8.190 nan 0.000 0.452 236 I N 0.392 120.698 120.570 -0.439 0.000 2.315 236 I HA -0.127 4.022 4.170 -0.035 0.000 0.248 236 I C 2.353 178.280 176.117 -0.317 0.000 1.117 236 I CA 1.588 62.640 61.300 -0.413 0.000 1.404 236 I CB -0.551 36.915 38.000 -0.889 0.000 1.071 236 I HN 0.185 nan 8.210 nan 0.000 0.419 237 A N -0.643 121.985 122.820 -0.320 0.000 1.872 237 A HA -0.185 4.114 4.320 -0.035 0.000 0.214 237 A C 2.405 179.977 177.584 -0.020 0.000 1.187 237 A CA 2.307 54.248 52.037 -0.160 0.000 0.614 237 A CB -1.391 17.554 19.000 -0.092 0.000 0.826 237 A HN 0.509 nan 8.150 nan 0.000 0.442 238 T N -2.796 111.706 114.554 -0.086 0.000 2.851 238 T HA 0.087 4.416 4.350 -0.035 0.000 0.262 238 T C 1.965 176.652 174.700 -0.022 0.000 1.043 238 T CA 1.433 63.489 62.100 -0.073 0.000 1.140 238 T CB -0.945 67.656 68.868 -0.445 0.000 0.872 238 T HN 0.384 nan 8.240 nan 0.000 0.446 239 G N 1.303 110.054 108.800 -0.082 0.000 2.446 239 G HA2 -0.181 3.758 3.960 -0.035 0.000 0.217 239 G HA3 -0.181 3.758 3.960 -0.035 0.000 0.217 239 G C 1.903 176.839 174.900 0.060 0.000 1.168 239 G CA 1.050 46.162 45.100 0.019 0.000 0.771 239 G HN 0.549 nan 8.290 nan 0.000 0.551 240 S N 0.255 115.988 115.700 0.056 0.000 2.368 240 S HA -0.071 4.379 4.470 -0.035 0.000 0.224 240 S C 1.900 176.576 174.600 0.126 0.000 1.029 240 S CA 1.105 59.356 58.200 0.085 0.000 0.988 240 S CB -0.356 62.878 63.200 0.056 0.000 0.838 240 S HN 0.402 nan 8.310 nan 0.000 0.462 241 F N 2.490 122.462 119.950 0.036 0.000 2.102 241 F HA -0.036 4.469 4.527 -0.036 0.000 0.298 241 F C 1.894 177.747 175.800 0.089 0.000 1.105 241 F CA 0.899 58.934 58.000 0.058 0.000 1.239 241 F CB -0.692 38.337 39.000 0.048 0.000 0.991 241 F HN 0.154 nan 8.300 nan 0.000 0.474 242 L N 0.369 121.500 121.223 -0.153 0.000 2.046 242 L HA -0.147 4.172 4.340 -0.035 0.000 0.208 242 L C 2.235 178.998 176.870 -0.179 0.000 1.077 242 L CA 2.541 57.242 54.840 -0.233 0.000 0.747 242 L CB -1.477 40.610 42.059 0.048 0.000 0.896 242 L HN 0.232 nan 8.230 nan 0.000 0.432 243 T N -0.773 113.744 114.554 -0.062 0.000 2.635 243 T HA -0.214 4.115 4.350 -0.035 0.000 0.267 243 T C 1.718 176.402 174.700 -0.028 0.000 1.040 243 T CA 2.366 64.456 62.100 -0.016 0.000 1.156 243 T CB -0.742 68.135 68.868 0.015 0.000 0.863 243 T HN 0.696 nan 8.240 nan 0.000 0.430 244 T N 0.413 114.951 114.554 -0.027 0.000 2.985 244 T HA 0.257 4.586 4.350 -0.035 0.000 0.266 244 T C 2.218 176.875 174.700 -0.071 0.000 1.076 244 T CA 0.846 62.969 62.100 0.038 0.000 1.135 244 T CB -0.400 68.559 68.868 0.151 0.000 0.890 244 T HN 0.330 nan 8.240 nan 0.000 0.480 245 A N 1.862 124.496 122.820 -0.310 0.000 1.930 245 A HA 0.194 4.493 4.320 -0.035 0.000 0.217 245 A C 2.374 179.872 177.584 -0.142 0.000 1.175 245 A CA 1.081 52.918 52.037 -0.334 0.000 0.627 245 A CB -0.876 17.674 19.000 -0.750 0.000 0.815 245 A HN 0.533 nan 8.150 nan 0.000 0.443 246 L N -0.565 120.593 121.223 -0.108 0.000 2.083 246 L HA -0.199 4.120 4.340 -0.035 0.000 0.209 246 L C 2.450 179.318 176.870 -0.003 0.000 1.083 246 L CA 1.203 56.024 54.840 -0.031 0.000 0.752 246 L CB -0.579 41.483 42.059 0.005 0.000 0.899 246 L HN 0.385 nan 8.230 nan 0.000 0.433 247 I N -0.718 119.861 120.570 0.015 0.000 2.142 247 I HA -0.278 3.872 4.170 -0.035 0.000 0.240 247 I C 2.636 178.783 176.117 0.050 0.000 1.078 247 I CA 1.280 62.612 61.300 0.054 0.000 1.343 247 I CB -0.295 37.775 38.000 0.117 0.000 1.046 247 I HN 0.164 nan 8.210 nan 0.000 0.405 248 S N 0.814 116.539 115.700 0.041 0.000 2.387 248 S HA -0.198 4.252 4.470 -0.035 0.000 0.230 248 S C 1.864 176.481 174.600 0.027 0.000 1.035 248 S CA 1.356 59.581 58.200 0.040 0.000 1.014 248 S CB -0.416 62.805 63.200 0.036 0.000 0.836 248 S HN 0.275 nan 8.310 nan 0.000 0.466 249 L N 1.723 122.954 121.223 0.013 0.000 2.023 249 L HA 0.105 4.424 4.340 -0.035 0.000 0.205 249 L C 1.982 178.861 176.870 0.015 0.000 1.073 249 L CA 1.476 56.323 54.840 0.012 0.000 0.745 249 L CB -0.723 41.337 42.059 0.003 0.000 0.900 249 L HN 0.247 nan 8.230 nan 0.000 0.435 250 I N -0.497 120.082 120.570 0.015 0.000 2.194 250 I HA -0.329 3.820 4.170 -0.035 0.000 0.246 250 I C 2.135 178.265 176.117 0.022 0.000 1.093 250 I CA 1.062 62.372 61.300 0.017 0.000 1.355 250 I CB -0.354 37.658 38.000 0.019 0.000 1.046 250 I HN 0.394 nan 8.210 nan 0.000 0.413 251 Q N 0.789 120.607 119.800 0.031 0.000 2.488 251 Q HA -0.006 4.313 4.340 -0.035 0.000 0.211 251 Q C 0.303 176.320 176.000 0.029 0.000 0.967 251 Q CA 0.851 56.674 55.803 0.034 0.000 0.926 251 Q CB -0.043 28.722 28.738 0.046 0.000 0.992 251 Q HN 0.509 nan 8.270 nan 0.000 0.506 252 R N 0.222 120.737 120.500 0.025 0.000 2.494 252 R HA 0.217 4.536 4.340 -0.035 0.000 0.284 252 R C -1.953 174.358 176.300 0.019 0.000 1.525 252 R CA -1.484 54.629 56.100 0.023 0.000 1.460 252 R CB 0.967 31.282 30.300 0.024 0.000 1.134 252 R HN -0.091 nan 8.270 nan 0.000 0.592 253 P HA -0.199 nan 4.420 nan 0.000 0.220 253 P C 1.126 178.436 177.300 0.016 0.000 1.148 253 P CA 0.986 64.093 63.100 0.012 0.000 0.803 253 P CB 0.354 32.059 31.700 0.008 0.000 0.782 254 Q N -0.877 118.934 119.800 0.018 0.000 2.079 254 Q HA -0.163 4.156 4.340 -0.035 0.000 0.200 254 Q C 1.960 177.976 176.000 0.026 0.000 0.974 254 Q CA 1.121 56.937 55.803 0.022 0.000 0.840 254 Q CB -0.588 28.162 28.738 0.019 0.000 0.898 254 Q HN 0.138 nan 8.270 nan 0.000 0.430 255 L N 0.896 122.134 121.223 0.025 0.000 2.027 255 L HA -0.159 4.160 4.340 -0.035 0.000 0.206 255 L C 2.454 179.345 176.870 0.035 0.000 1.074 255 L CA 1.738 56.595 54.840 0.028 0.000 0.745 255 L CB -0.585 41.489 42.059 0.025 0.000 0.898 255 L HN 0.107 nan 8.230 nan 0.000 0.433 256 R N -0.525 119.993 120.500 0.030 0.000 2.103 256 R HA -0.217 4.102 4.340 -0.035 0.000 0.242 256 R C 1.937 178.271 176.300 0.056 0.000 1.142 256 R CA 1.998 58.116 56.100 0.031 0.000 0.960 256 R CB -0.321 29.985 30.300 0.009 0.000 0.858 256 R HN 0.479 nan 8.270 nan 0.000 0.439 257 N N 0.815 119.546 118.700 0.050 0.000 2.171 257 N HA -0.152 4.568 4.740 -0.035 0.000 0.184 257 N C 1.716 177.288 175.510 0.105 0.000 1.021 257 N CA 0.880 53.978 53.050 0.080 0.000 0.854 257 N CB -0.452 38.066 38.487 0.052 0.000 0.994 257 N HN 0.151 nan 8.380 nan 0.000 0.426 258 L N 1.634 122.897 121.223 0.066 0.000 1.970 258 L HA -0.090 4.229 4.340 -0.035 0.000 0.212 258 L C 2.018 178.920 176.870 0.053 0.000 1.071 258 L CA 1.507 56.378 54.840 0.051 0.000 0.751 258 L CB -0.898 41.183 42.059 0.037 0.000 0.889 258 L HN 0.115 nan 8.230 nan 0.000 0.432 259 L N -1.002 120.256 121.223 0.059 0.000 2.127 259 L HA -0.282 4.037 4.340 -0.035 0.000 0.211 259 L C 2.700 179.612 176.870 0.071 0.000 1.089 259 L CA 1.676 56.549 54.840 0.055 0.000 0.757 259 L CB -1.130 40.962 42.059 0.055 0.000 0.899 259 L HN 0.562 nan 8.230 nan 0.000 0.434 260 H N -0.022 119.050 119.070 0.004 0.000 2.357 260 H HA -0.174 4.361 4.556 -0.035 0.000 0.301 260 H C 2.215 177.544 175.328 0.001 0.000 1.082 260 H CA 1.852 57.900 56.048 -0.001 0.000 1.342 260 H CB 0.473 30.233 29.762 -0.003 0.000 1.389 260 H HN 0.239 nan 8.280 nan 0.000 0.511 261 E N 0.898 121.071 120.200 -0.044 0.000 2.072 261 E HA -0.025 4.304 4.350 -0.035 0.000 0.190 261 E C 0.518 177.066 176.600 -0.087 0.000 0.982 261 E CA 0.701 57.045 56.400 -0.094 0.000 0.803 261 E CB 0.119 29.820 29.700 0.003 0.000 0.755 261 E HN 0.513 nan 8.360 nan 0.000 0.453 262 K N 0.538 120.914 120.400 -0.040 0.000 2.682 262 K HA 0.262 4.561 4.320 -0.035 0.000 0.189 262 K C -2.320 174.271 176.600 -0.016 0.000 1.062 262 K CA -1.450 54.822 56.287 -0.025 0.000 0.997 262 K CB 1.791 34.288 32.500 -0.005 0.000 1.405 262 K HN 0.193 nan 8.250 nan 0.000 0.588 263 P HA -0.215 nan 4.420 nan 0.000 0.229 263 P C 0.676 177.979 177.300 0.005 0.000 1.150 263 P CA 1.108 64.201 63.100 -0.012 0.000 0.765 263 P CB 0.321 32.003 31.700 -0.029 0.000 0.783 264 E N 0.375 120.578 120.200 0.005 0.000 2.442 264 E HA -0.026 4.303 4.350 -0.035 0.000 0.195 264 E C 1.501 178.115 176.600 0.023 0.000 1.030 264 E CA 0.304 56.712 56.400 0.014 0.000 0.869 264 E CB -0.806 28.900 29.700 0.009 0.000 0.857 264 E HN 0.321 nan 8.360 nan 0.000 0.505 265 L N 0.722 121.959 121.223 0.023 0.000 2.591 265 L HA 0.198 4.517 4.340 -0.035 0.000 0.228 265 L C 2.223 179.117 176.870 0.040 0.000 1.133 265 L CA -0.078 54.780 54.840 0.030 0.000 0.880 265 L CB -0.285 41.790 42.059 0.027 0.000 1.033 265 L HN 0.003 nan 8.230 nan 0.000 0.450 266 I N 0.833 121.428 120.570 0.042 0.000 2.179 266 I HA -0.192 3.957 4.170 -0.035 0.000 0.242 266 I C -0.202 175.958 176.117 0.070 0.000 1.088 266 I CA 1.491 62.823 61.300 0.053 0.000 1.357 266 I CB -1.112 36.918 38.000 0.049 0.000 1.051 266 I HN 0.221 nan 8.210 nan 0.000 0.409 267 P HA -0.204 nan 4.420 nan 0.000 0.215 267 P C 1.471 178.826 177.300 0.090 0.000 1.157 267 P CA 1.946 65.098 63.100 0.087 0.000 0.874 267 P CB -0.035 31.710 31.700 0.075 0.000 0.790 268 A N -0.394 122.469 122.820 0.072 0.000 1.933 268 A HA -0.069 4.230 4.320 -0.035 0.000 0.218 268 A C 2.472 180.094 177.584 0.063 0.000 1.175 268 A CA 2.009 54.086 52.037 0.067 0.000 0.628 268 A CB -1.848 17.183 19.000 0.052 0.000 0.814 268 A HN 0.276 nan 8.150 nan 0.000 0.444 269 G N -0.487 108.349 108.800 0.061 0.000 2.421 269 G HA2 -0.138 3.801 3.960 -0.035 0.000 0.216 269 G HA3 -0.138 3.801 3.960 -0.035 0.000 0.216 269 G C 1.514 176.462 174.900 0.080 0.000 1.171 269 G CA 1.252 46.386 45.100 0.057 0.000 0.775 269 G HN 0.310 nan 8.290 nan 0.000 0.543 270 V N 0.616 120.598 119.914 0.113 0.000 2.407 270 V HA -0.140 3.960 4.120 -0.035 0.000 0.248 270 V C 2.693 178.885 176.094 0.163 0.000 1.055 270 V CA 2.237 64.646 62.300 0.181 0.000 1.049 270 V CB -0.285 31.664 31.823 0.211 0.000 0.662 270 V HN 0.379 nan 8.190 nan 0.000 0.455 271 E N 0.065 120.338 120.200 0.122 0.000 2.077 271 E HA -0.196 4.133 4.350 -0.035 0.000 0.193 271 E C 2.283 178.875 176.600 -0.014 0.000 0.989 271 E CA 1.178 57.640 56.400 0.104 0.000 0.800 271 E CB -0.153 29.644 29.700 0.162 0.000 0.746 271 E HN 0.488 nan 8.360 nan 0.000 0.452 272 E N -0.115 120.079 120.200 -0.009 0.000 2.106 272 E HA -0.121 4.208 4.350 -0.035 0.000 0.192 272 E C 2.231 178.784 176.600 -0.079 0.000 0.984 272 E CA 0.636 56.986 56.400 -0.082 0.000 0.806 272 E CB -0.167 29.502 29.700 -0.052 0.000 0.750 272 E HN 0.350 nan 8.360 nan 0.000 0.458 273 L N 0.401 121.644 121.223 0.033 0.000 2.083 273 L HA -0.170 4.149 4.340 -0.035 0.000 0.209 273 L C 2.583 179.584 176.870 0.219 0.000 1.083 273 L CA 0.679 55.597 54.840 0.129 0.000 0.752 273 L CB -0.477 41.686 42.059 0.173 0.000 0.899 273 L HN 0.101 nan 8.230 nan 0.000 0.433 274 L N -0.402 120.860 121.223 0.063 0.000 2.012 274 L HA -0.265 4.054 4.340 -0.035 0.000 0.210 274 L C 2.880 179.438 176.870 -0.521 0.000 1.073 274 L CA 1.478 56.071 54.840 -0.411 0.000 0.748 274 L CB -0.533 41.100 42.059 -0.711 0.000 0.891 274 L HN 0.251 nan 8.230 nan 0.000 0.431 275 R N 0.954 121.105 120.500 -0.583 0.000 2.096 275 R HA -0.173 4.147 4.340 -0.035 0.000 0.235 275 R C 2.119 178.186 176.300 -0.388 0.000 1.127 275 R CA 1.828 57.591 56.100 -0.562 0.000 0.968 275 R CB -0.293 29.657 30.300 -0.583 0.000 0.861 275 R HN 0.569 nan 8.270 nan 0.000 0.440 276 I N -0.468 119.929 120.570 -0.288 0.000 3.793 276 I HA 0.116 4.265 4.170 -0.035 0.000 0.315 276 I C -0.197 176.027 176.117 0.179 0.000 1.275 276 I CA -0.541 60.638 61.300 -0.202 0.000 1.214 276 I CB -0.475 37.427 38.000 -0.164 0.000 1.018 276 I HN 0.024 nan 8.210 nan 0.000 0.439 277 N N 1.690 120.466 118.700 0.127 0.000 2.513 277 N HA 0.159 4.878 4.740 -0.035 0.000 0.268 277 N C 0.011 175.653 175.510 0.219 0.000 1.180 277 N CA -0.250 52.934 53.050 0.223 0.000 0.948 277 N CB 0.948 39.650 38.487 0.358 0.000 1.083 277 N HN 0.331 nan 8.380 nan 0.000 0.455 278 L N 1.889 123.226 121.223 0.190 0.000 2.872 278 L HA 0.149 4.468 4.340 -0.035 0.000 0.245 278 L C 1.742 178.692 176.870 0.135 0.000 1.211 278 L CA -0.222 54.694 54.840 0.127 0.000 1.013 278 L CB -0.344 41.730 42.059 0.025 0.000 1.326 278 L HN 0.836 nan 8.230 nan 0.000 0.525 279 S N -0.132 115.688 115.700 0.200 0.000 2.382 279 S HA -0.109 4.340 4.470 -0.035 0.000 0.228 279 S C 0.687 175.352 174.600 0.109 0.000 1.027 279 S CA 0.584 58.890 58.200 0.177 0.000 0.991 279 S CB -0.396 62.934 63.200 0.216 0.000 0.823 279 S HN 0.187 nan 8.310 nan 0.000 0.469 280 F N 2.070 122.032 119.950 0.020 0.000 2.472 280 F HA 0.569 5.073 4.527 -0.038 0.000 0.364 280 F C 1.436 177.230 175.800 -0.010 0.000 1.090 280 F CA -0.425 57.571 58.000 -0.008 0.000 1.188 280 F CB 0.786 39.767 39.000 -0.031 0.000 1.105 280 F HN 0.217 nan 8.300 nan 0.000 0.536 281 A N 2.499 125.347 122.820 0.048 0.000 2.067 281 A HA 0.037 4.336 4.320 -0.035 0.000 0.217 281 A C 0.403 177.993 177.584 0.009 0.000 1.156 281 A CA 0.797 52.852 52.037 0.031 0.000 0.683 281 A CB -0.253 18.762 19.000 0.024 0.000 0.808 281 A HN 0.619 nan 8.150 nan 0.000 0.455 282 D N -1.533 118.892 120.400 0.041 0.000 2.601 282 D HA 0.437 5.056 4.640 -0.035 0.000 0.230 282 D C 0.135 176.455 176.300 0.033 0.000 1.106 282 D CA -0.116 53.880 54.000 -0.007 0.000 0.873 282 D CB 1.443 42.234 40.800 -0.016 0.000 1.515 282 D HN 0.155 nan 8.370 nan 0.000 0.468 283 G N 0.299 109.078 108.800 -0.034 0.000 2.647 283 G HA2 0.240 4.179 3.960 -0.035 0.000 0.234 283 G HA3 0.240 4.179 3.960 -0.035 0.000 0.234 283 G C 0.302 175.200 174.900 -0.003 0.000 1.252 283 G CA -0.354 44.729 45.100 -0.029 0.000 0.846 283 G HN 0.373 nan 8.290 nan 0.000 0.589 284 L N 3.225 124.428 121.223 -0.034 0.000 2.418 284 L HA 0.216 4.535 4.340 -0.035 0.000 0.274 284 L C -1.610 175.240 176.870 -0.032 0.000 1.135 284 L CA -1.428 53.394 54.840 -0.031 0.000 0.870 284 L CB 0.924 42.932 42.059 -0.086 0.000 1.154 284 L HN 0.364 nan 8.230 nan 0.000 0.462 285 P HA 0.335 nan 4.420 nan 0.000 0.285 285 P C -1.003 176.291 177.300 -0.010 0.000 1.259 285 P CA -0.585 62.504 63.100 -0.019 0.000 0.794 285 P CB 1.493 33.179 31.700 -0.022 0.000 0.940 286 R N 2.162 122.674 120.500 0.020 0.000 2.651 286 R HA 0.535 4.854 4.340 -0.035 0.000 0.278 286 R C -0.969 175.405 176.300 0.124 0.000 1.010 286 R CA -1.140 55.006 56.100 0.076 0.000 0.896 286 R CB 1.605 31.969 30.300 0.108 0.000 1.211 286 R HN 0.435 nan 8.270 nan 0.000 0.456 287 L N 1.605 122.909 121.223 0.134 0.000 2.296 287 L HA 0.569 4.888 4.340 -0.035 0.000 0.286 287 L C -0.073 176.902 176.870 0.175 0.000 1.023 287 L CA -0.313 54.611 54.840 0.140 0.000 0.812 287 L CB 1.678 43.782 42.059 0.075 0.000 1.223 287 L HN 0.835 nan 8.230 nan 0.000 0.421 288 A N 2.344 125.293 122.820 0.214 0.000 2.524 288 A HA 0.357 4.656 4.320 -0.035 0.000 0.250 288 A C 1.036 178.617 177.584 -0.004 0.000 1.078 288 A CA 0.502 52.592 52.037 0.089 0.000 0.761 288 A CB -0.125 18.956 19.000 0.134 0.000 1.012 288 A HN 0.881 nan 8.150 nan 0.000 0.500 289 T N -0.767 113.735 114.554 -0.087 0.000 3.069 289 T HA 0.567 4.896 4.350 -0.035 0.000 0.252 289 T C 0.413 175.063 174.700 -0.082 0.000 1.053 289 T CA 0.598 62.661 62.100 -0.063 0.000 0.964 289 T CB -0.180 68.654 68.868 -0.056 0.000 1.005 289 T HN 1.618 nan 8.240 nan 0.000 0.532 290 A N 0.577 123.322 122.820 -0.125 0.000 2.602 290 A HA 0.638 4.937 4.320 -0.035 0.000 0.290 290 A C -1.850 175.671 177.584 -0.105 0.000 1.114 290 A CA -0.940 51.031 52.037 -0.110 0.000 0.683 290 A CB 0.882 19.800 19.000 -0.137 0.000 1.281 290 A HN 0.179 nan 8.150 nan 0.000 0.416 291 D N 0.771 121.129 120.400 -0.070 0.000 2.317 291 D HA 0.550 5.169 4.640 -0.035 0.000 0.252 291 D C -0.704 175.549 176.300 -0.079 0.000 1.174 291 D CA 0.906 54.876 54.000 -0.051 0.000 0.866 291 D CB 0.501 41.285 40.800 -0.027 0.000 1.127 291 D HN 0.381 nan 8.370 nan 0.000 0.467 292 I N 1.870 122.395 120.570 -0.075 0.000 2.534 292 I HA 0.118 4.267 4.170 -0.035 0.000 0.288 292 I C -0.202 175.913 176.117 -0.004 0.000 1.077 292 I CA -1.040 60.218 61.300 -0.069 0.000 1.051 292 I CB 2.069 39.955 38.000 -0.191 0.000 1.234 292 I HN 0.019 nan 8.210 nan 0.000 0.425 293 Q N 4.911 124.703 119.800 -0.013 0.000 2.297 293 Q HA 0.417 4.736 4.340 -0.035 0.000 0.267 293 Q C -1.292 174.707 176.000 -0.002 0.000 1.006 293 Q CA 0.134 55.921 55.803 -0.027 0.000 0.896 293 Q CB 0.998 29.718 28.738 -0.029 0.000 1.186 293 Q HN 0.492 nan 8.270 nan 0.000 0.392 294 V N 5.305 125.185 119.914 -0.056 0.000 2.419 294 V HA 0.647 4.746 4.120 -0.035 0.000 0.287 294 V C 0.817 176.850 176.094 -0.101 0.000 1.017 294 V CA -0.041 62.220 62.300 -0.066 0.000 0.844 294 V CB 0.544 32.301 31.823 -0.110 0.000 1.011 294 V HN 1.053 nan 8.190 nan 0.000 0.429 295 G N 4.739 113.503 108.800 -0.060 0.000 2.634 295 G HA2 -0.303 3.636 3.960 -0.035 0.000 0.309 295 G HA3 -0.303 3.636 3.960 -0.035 0.000 0.309 295 G C 0.484 175.347 174.900 -0.062 0.000 1.265 295 G CA 0.811 45.880 45.100 -0.051 0.000 0.998 295 G HN 0.630 nan 8.290 nan 0.000 0.551 296 D N 0.256 120.619 120.400 -0.063 0.000 2.363 296 D HA 0.223 4.842 4.640 -0.035 0.000 0.226 296 D C 0.935 177.173 176.300 -0.104 0.000 1.020 296 D CA 0.693 54.657 54.000 -0.060 0.000 0.892 296 D CB 0.288 41.070 40.800 -0.030 0.000 0.900 296 D HN 0.267 nan 8.370 nan 0.000 0.531 297 V N 1.560 121.360 119.914 -0.189 0.000 2.483 297 V HA 0.206 4.305 4.120 -0.035 0.000 0.295 297 V C -0.188 175.730 176.094 -0.294 0.000 1.035 297 V CA -0.975 61.128 62.300 -0.330 0.000 0.896 297 V CB 2.361 33.754 31.823 -0.716 0.000 0.986 297 V HN -0.095 nan 8.190 nan 0.000 0.447 298 L N 6.823 127.912 121.223 -0.222 0.000 2.282 298 L HA 0.453 4.772 4.340 -0.035 0.000 0.287 298 L C -0.108 176.654 176.870 -0.181 0.000 1.075 298 L CA 0.338 55.090 54.840 -0.147 0.000 0.839 298 L CB 0.983 43.003 42.059 -0.065 0.000 1.219 298 L HN 0.463 nan 8.230 nan 0.000 0.434 299 V N 5.973 125.760 119.914 -0.211 0.000 2.572 299 V HA 0.344 4.443 4.120 -0.035 0.000 0.291 299 V C 0.677 176.794 176.094 0.040 0.000 1.039 299 V CA -0.505 61.718 62.300 -0.128 0.000 1.055 299 V CB 0.467 32.260 31.823 -0.051 0.000 0.969 299 V HN 0.626 nan 8.190 nan 0.000 0.482 300 R N 3.166 123.745 120.500 0.131 0.000 2.536 300 R HA 0.360 4.679 4.340 -0.035 0.000 0.279 300 R C 0.069 176.424 176.300 0.091 0.000 1.001 300 R CA -1.000 55.157 56.100 0.095 0.000 1.027 300 R CB 0.952 31.318 30.300 0.110 0.000 1.096 300 R HN 0.697 nan 8.270 nan 0.000 0.502 301 K N 0.320 120.745 120.400 0.042 0.000 2.524 301 K HA -0.043 4.256 4.320 -0.035 0.000 0.279 301 K C 0.679 177.311 176.600 0.053 0.000 0.993 301 K CA 1.519 57.823 56.287 0.028 0.000 1.030 301 K CB 0.068 32.570 32.500 0.003 0.000 0.891 301 K HN 0.780 nan 8.250 nan 0.000 0.488 302 G N 2.543 111.377 108.800 0.057 0.000 2.195 302 G HA2 -0.251 3.688 3.960 -0.035 0.000 0.246 302 G HA3 -0.251 3.688 3.960 -0.035 0.000 0.246 302 G C -0.287 174.663 174.900 0.083 0.000 0.984 302 G CA 0.271 45.406 45.100 0.058 0.000 0.633 302 G HN 0.680 nan 8.290 nan 0.000 0.525 303 E N -0.277 120.004 120.200 0.136 0.000 2.283 303 E HA 0.583 4.912 4.350 -0.035 0.000 0.271 303 E C -0.266 176.450 176.600 0.194 0.000 1.031 303 E CA -0.899 55.608 56.400 0.178 0.000 0.868 303 E CB 1.870 31.759 29.700 0.315 0.000 1.094 303 E HN 0.212 nan 8.360 nan 0.000 0.401 304 L N 2.653 123.960 121.223 0.141 0.000 2.312 304 L HA 0.318 4.637 4.340 -0.035 0.000 0.281 304 L C -1.139 175.830 176.870 0.165 0.000 1.070 304 L CA -0.356 54.550 54.840 0.111 0.000 0.805 304 L CB 1.356 43.431 42.059 0.028 0.000 1.174 304 L HN 0.239 nan 8.230 nan 0.000 0.434 305 V N 6.064 126.058 119.914 0.133 0.000 2.680 305 V HA 0.500 4.599 4.120 -0.035 0.000 0.309 305 V C -0.379 175.720 176.094 0.008 0.000 1.052 305 V CA -0.640 61.715 62.300 0.092 0.000 0.908 305 V CB 1.841 33.638 31.823 -0.044 0.000 1.001 305 V HN 0.612 nan 8.190 nan 0.000 0.431 306 L N 4.389 125.612 121.223 -0.001 0.000 2.343 306 L HA 0.574 4.893 4.340 -0.035 0.000 0.278 306 L C -0.684 176.156 176.870 -0.050 0.000 0.996 306 L CA -0.763 54.058 54.840 -0.033 0.000 0.831 306 L CB 1.962 43.997 42.059 -0.041 0.000 1.232 306 L HN 0.344 nan 8.230 nan 0.000 0.413 307 V N 4.641 124.512 119.914 -0.071 0.000 2.334 307 V HA 0.169 4.268 4.120 -0.035 0.000 0.267 307 V C 0.106 176.160 176.094 -0.067 0.000 1.040 307 V CA -0.363 61.886 62.300 -0.085 0.000 0.866 307 V CB 1.422 33.178 31.823 -0.112 0.000 1.019 307 V HN 0.442 nan 8.190 nan 0.000 0.468 308 L N 6.128 127.327 121.223 -0.039 0.000 2.342 308 L HA 0.289 4.608 4.340 -0.035 0.000 0.285 308 L C 1.065 177.936 176.870 0.001 0.000 1.095 308 L CA 0.611 55.441 54.840 -0.016 0.000 0.843 308 L CB 0.484 42.552 42.059 0.015 0.000 1.201 308 L HN 0.555 nan 8.230 nan 0.000 0.445 309 L N 3.598 124.808 121.223 -0.022 0.000 2.046 309 L HA -0.141 4.178 4.340 -0.035 0.000 0.208 309 L C 2.236 179.166 176.870 0.099 0.000 1.077 309 L CA 1.256 56.086 54.840 -0.016 0.000 0.747 309 L CB -0.506 41.483 42.059 -0.115 0.000 0.896 309 L HN 0.776 nan 8.230 nan 0.000 0.432 310 E N 0.710 120.991 120.200 0.135 0.000 2.347 310 E HA -0.128 4.201 4.350 -0.035 0.000 0.196 310 E C 1.987 178.757 176.600 0.283 0.000 1.008 310 E CA 1.191 57.752 56.400 0.269 0.000 0.852 310 E CB -0.377 29.399 29.700 0.127 0.000 0.783 310 E HN 0.409 nan 8.360 nan 0.000 0.505 311 G N 1.820 110.723 108.800 0.172 0.000 2.459 311 G HA2 -0.243 3.696 3.960 -0.035 0.000 0.217 311 G HA3 -0.243 3.696 3.960 -0.035 0.000 0.217 311 G C 1.814 176.853 174.900 0.232 0.000 1.183 311 G CA 1.711 46.914 45.100 0.172 0.000 0.776 311 G HN 0.480 nan 8.290 nan 0.000 0.552 312 A N 1.001 123.944 122.820 0.206 0.000 1.898 312 A HA -0.053 4.246 4.320 -0.035 0.000 0.216 312 A C 2.217 180.089 177.584 0.480 0.000 1.181 312 A CA 1.844 54.044 52.037 0.271 0.000 0.620 312 A CB -0.375 18.679 19.000 0.090 0.000 0.819 312 A HN 0.345 nan 8.150 nan 0.000 0.442 313 N N -1.404 117.551 118.700 0.425 0.000 2.457 313 N HA 0.044 4.763 4.740 -0.035 0.000 0.180 313 N C 0.262 175.903 175.510 0.219 0.000 1.050 313 N CA 0.746 54.025 53.050 0.381 0.000 0.906 313 N CB -0.193 38.395 38.487 0.167 0.000 0.968 313 N HN 0.480 nan 8.380 nan 0.000 0.445 314 F N 0.258 120.348 119.950 0.234 0.000 2.639 314 F HA 0.195 4.701 4.527 -0.034 0.000 0.302 314 F C 0.625 176.550 175.800 0.208 0.000 1.097 314 F CA -0.866 57.241 58.000 0.179 0.000 1.294 314 F CB 0.308 39.370 39.000 0.104 0.000 1.027 314 F HN -0.227 nan 8.300 nan 0.000 0.550 315 D N 2.794 123.436 120.400 0.403 0.000 2.371 315 D HA 0.051 4.670 4.640 -0.035 0.000 0.256 315 D C -1.533 174.902 176.300 0.224 0.000 1.193 315 D CA -1.938 52.231 54.000 0.281 0.000 0.881 315 D CB 1.544 42.508 40.800 0.272 0.000 1.143 315 D HN 0.032 nan 8.370 nan 0.000 0.473 316 P HA -0.099 nan 4.420 nan 0.000 0.221 316 P C 1.051 178.381 177.300 0.050 0.000 1.150 316 P CA 0.546 63.713 63.100 0.112 0.000 0.800 316 P CB 0.394 32.149 31.700 0.091 0.000 0.787 317 E N -1.040 119.185 120.200 0.042 0.000 2.160 317 E HA -0.217 4.112 4.350 -0.035 0.000 0.195 317 E C 2.019 178.568 176.600 -0.086 0.000 0.991 317 E CA 1.510 57.908 56.400 -0.003 0.000 0.810 317 E CB -1.137 28.578 29.700 0.025 0.000 0.742 317 E HN 0.593 nan 8.360 nan 0.000 0.466 318 H N -2.397 116.511 119.070 -0.271 0.000 2.557 318 H HA 0.333 4.869 4.556 -0.034 0.000 0.281 318 H C -0.100 174.832 175.328 -0.659 0.000 0.990 318 H CA 0.372 56.036 56.048 -0.640 0.000 1.278 318 H CB 0.520 29.536 29.762 -1.242 0.000 1.451 318 H HN 0.219 nan 8.280 nan 0.000 0.516 319 F N 1.793 121.692 119.950 -0.084 0.000 2.686 319 F HA 0.342 4.847 4.527 -0.036 0.000 0.365 319 F C -2.445 173.322 175.800 -0.055 0.000 1.196 319 F CA -2.564 55.383 58.000 -0.088 0.000 1.198 319 F CB 1.411 40.394 39.000 -0.030 0.000 1.454 319 F HN -0.016 nan 8.300 nan 0.000 0.539 320 P HA -0.076 nan 4.420 nan 0.000 0.267 320 P C 0.070 177.407 177.300 0.061 0.000 1.200 320 P CA 0.374 63.506 63.100 0.052 0.000 0.772 320 P CB 0.427 32.133 31.700 0.012 0.000 0.855 321 N N 2.279 121.012 118.700 0.054 0.000 2.667 321 N HA -0.145 4.574 4.740 -0.035 0.000 0.263 321 N C -1.369 174.168 175.510 0.045 0.000 1.038 321 N CA 0.250 53.329 53.050 0.049 0.000 0.749 321 N CB -0.701 37.805 38.487 0.032 0.000 0.892 321 N HN 0.292 nan 8.380 nan 0.000 0.546 322 P HA -0.087 nan 4.420 nan 0.000 0.218 322 P C 1.422 178.669 177.300 -0.089 0.000 1.148 322 P CA 1.797 64.908 63.100 0.018 0.000 0.822 322 P CB -0.197 31.588 31.700 0.141 0.000 0.784 323 G N -0.806 108.034 108.800 0.067 0.000 2.572 323 G HA2 -0.062 3.878 3.960 -0.035 0.000 0.216 323 G HA3 -0.062 3.878 3.960 -0.035 0.000 0.216 323 G C 0.691 175.607 174.900 0.027 0.000 1.133 323 G CA 0.112 45.281 45.100 0.114 0.000 0.791 323 G HN 0.246 nan 8.290 nan 0.000 0.538 324 S N 0.029 115.728 115.700 -0.002 0.000 2.545 324 S HA 0.393 4.842 4.470 -0.035 0.000 0.275 324 S C 0.191 174.766 174.600 -0.043 0.000 1.299 324 S CA -0.461 57.734 58.200 -0.008 0.000 1.048 324 S CB 0.991 64.194 63.200 0.005 0.000 0.938 324 S HN 0.157 nan 8.310 nan 0.000 0.496 325 I N 4.019 124.571 120.570 -0.029 0.000 2.406 325 I HA 0.116 4.265 4.170 -0.035 0.000 0.293 325 I C 0.294 176.399 176.117 -0.020 0.000 1.101 325 I CA 0.362 61.640 61.300 -0.037 0.000 1.334 325 I CB 0.202 38.192 38.000 -0.016 0.000 1.421 325 I HN 0.549 nan 8.210 nan 0.000 0.513 326 E N 6.968 127.153 120.200 -0.026 0.000 2.191 326 E HA 0.294 4.623 4.350 -0.035 0.000 0.263 326 E C 0.079 176.679 176.600 0.000 0.000 0.881 326 E CA -0.535 55.861 56.400 -0.007 0.000 0.757 326 E CB 2.095 31.794 29.700 -0.003 0.000 1.147 326 E HN 0.586 nan 8.360 nan 0.000 0.414 327 L N 2.148 123.378 121.223 0.011 0.000 2.612 327 L HA 0.045 4.364 4.340 -0.035 0.000 0.230 327 L C 0.354 177.239 176.870 0.025 0.000 1.140 327 L CA 0.352 55.203 54.840 0.020 0.000 0.896 327 L CB -0.363 41.709 42.059 0.023 0.000 1.065 327 L HN 0.468 nan 8.230 nan 0.000 0.447 328 D N -1.447 118.966 120.400 0.022 0.000 2.819 328 D HA 0.097 4.716 4.640 -0.035 0.000 0.326 328 D C 0.311 176.627 176.300 0.027 0.000 1.408 328 D CA -0.422 53.593 54.000 0.024 0.000 0.811 328 D CB 0.118 40.929 40.800 0.018 0.000 1.148 328 D HN 0.019 nan 8.370 nan 0.000 0.457 329 R N 1.171 121.693 120.500 0.037 0.000 2.582 329 R HA 0.299 4.618 4.340 -0.035 0.000 0.271 329 R C -1.319 175.008 176.300 0.046 0.000 1.078 329 R CA -1.156 54.972 56.100 0.047 0.000 1.127 329 R CB 0.671 31.021 30.300 0.084 0.000 1.038 329 R HN 0.011 nan 8.270 nan 0.000 0.500 330 P HA -0.073 nan 4.420 nan 0.000 0.236 330 P C -0.572 176.742 177.300 0.022 0.000 1.177 330 P CA 1.071 64.178 63.100 0.011 0.000 0.773 330 P CB 0.030 31.719 31.700 -0.018 0.000 0.878 331 N N -0.772 117.957 118.700 0.050 0.000 2.644 331 N HA 0.195 4.914 4.740 -0.035 0.000 0.313 331 N C -1.773 173.889 175.510 0.254 0.000 1.863 331 N CA -1.533 51.574 53.050 0.095 0.000 0.918 331 N CB 0.569 39.026 38.487 -0.051 0.000 1.320 331 N HN -0.013 nan 8.380 nan 0.000 0.490 332 P HA -0.116 nan 4.420 nan 0.000 0.219 332 P C 1.120 178.573 177.300 0.254 0.000 1.150 332 P CA 1.435 64.658 63.100 0.206 0.000 0.814 332 P CB 0.124 31.903 31.700 0.133 0.000 0.787 333 T N -3.652 111.008 114.554 0.176 0.000 3.086 333 T HA 0.080 4.409 4.350 -0.035 0.000 0.250 333 T C 1.506 176.156 174.700 -0.083 0.000 1.074 333 T CA 0.406 62.532 62.100 0.044 0.000 0.988 333 T CB -0.876 68.030 68.868 0.063 0.000 0.988 333 T HN 0.121 nan 8.240 nan 0.000 0.530 334 S N 1.191 116.993 115.700 0.169 0.000 2.650 334 S HA 0.043 4.492 4.470 -0.035 0.000 0.219 334 S C 0.640 175.504 174.600 0.440 0.000 0.960 334 S CA -0.610 57.751 58.200 0.267 0.000 0.925 334 S CB -1.107 62.314 63.200 0.367 0.000 0.775 334 S HN 0.887 nan 8.310 nan 0.000 0.525 335 H N 0.189 119.593 119.070 0.557 0.000 2.660 335 H HA 0.459 4.993 4.556 -0.035 0.000 0.374 335 H C 0.562 176.056 175.328 0.278 0.000 1.291 335 H CA -0.832 55.500 56.048 0.474 0.000 1.437 335 H CB 0.224 30.057 29.762 0.119 0.000 1.509 335 H HN 0.130 nan 8.280 nan 0.000 0.614 336 L N 0.756 122.192 121.223 0.356 0.000 2.872 336 L HA 0.330 4.649 4.340 -0.035 0.000 0.245 336 L C 1.858 178.760 176.870 0.053 0.000 1.211 336 L CA 0.221 55.152 54.840 0.150 0.000 1.013 336 L CB -0.186 41.879 42.059 0.009 0.000 1.326 336 L HN 0.893 nan 8.230 nan 0.000 0.525 337 A N 0.357 123.261 122.820 0.139 0.000 1.978 337 A HA -0.156 4.144 4.320 -0.035 0.000 0.220 337 A C 1.508 178.788 177.584 -0.508 0.000 1.170 337 A CA 1.649 53.505 52.037 -0.300 0.000 0.636 337 A CB -0.419 18.200 19.000 -0.635 0.000 0.810 337 A HN 0.403 nan 8.150 nan 0.000 0.448 338 F N -0.466 119.408 119.950 -0.128 0.000 2.641 338 F HA 0.432 4.938 4.527 -0.035 0.000 0.302 338 F C 1.630 177.140 175.800 -0.484 0.000 1.098 338 F CA 0.107 57.865 58.000 -0.403 0.000 1.318 338 F CB -0.444 38.168 39.000 -0.648 0.000 1.035 338 F HN 0.454 nan 8.300 nan 0.000 0.551 339 G N 1.158 109.873 108.800 -0.143 0.000 2.601 339 G HA2 -0.161 3.778 3.960 -0.035 0.000 0.252 339 G HA3 -0.161 3.778 3.960 -0.035 0.000 0.252 339 G C -0.593 174.397 174.900 0.152 0.000 1.294 339 G CA -0.196 44.864 45.100 -0.067 0.000 0.912 339 G HN 0.527 nan 8.290 nan 0.000 0.574 340 R N -1.076 119.539 120.500 0.191 0.000 2.664 340 R HA 0.668 4.987 4.340 -0.035 0.000 0.266 340 R C 0.709 177.112 176.300 0.172 0.000 1.046 340 R CA 1.589 57.838 56.100 0.248 0.000 0.885 340 R CB 0.827 31.177 30.300 0.084 0.000 1.254 340 R HN 2.884 nan 8.270 nan 0.000 0.465 341 G N 2.023 110.897 108.800 0.123 0.000 2.488 341 G HA2 -0.356 3.583 3.960 -0.035 0.000 0.237 341 G HA3 -0.356 3.583 3.960 -0.035 0.000 0.237 341 G C 0.302 175.229 174.900 0.045 0.000 1.209 341 G CA 0.558 45.694 45.100 0.060 0.000 0.929 341 G HN 0.724 nan 8.290 nan 0.000 0.578 342 Q N -0.673 119.103 119.800 -0.040 0.000 2.170 342 Q HA -0.022 4.297 4.340 -0.035 0.000 0.203 342 Q C 1.897 177.710 176.000 -0.311 0.000 0.976 342 Q CA 2.505 58.177 55.803 -0.220 0.000 0.858 342 Q CB -0.191 28.324 28.738 -0.371 0.000 0.907 342 Q HN 0.739 nan 8.270 nan 0.000 0.433 343 H N -1.067 118.069 119.070 0.111 0.000 2.505 343 H HA 0.103 4.640 4.556 -0.032 0.000 0.286 343 H C -0.632 174.767 175.328 0.119 0.000 1.072 343 H CA -0.520 55.589 56.048 0.102 0.000 1.141 343 H CB -0.455 29.345 29.762 0.062 0.000 1.550 343 H HN 0.200 nan 8.280 nan 0.000 0.547 344 F N 2.238 122.237 119.950 0.083 0.000 2.604 344 F HA -0.144 4.362 4.527 -0.035 0.000 0.390 344 F C 0.969 176.821 175.800 0.086 0.000 1.053 344 F CA -0.225 57.819 58.000 0.073 0.000 1.256 344 F CB 0.413 39.432 39.000 0.033 0.000 0.996 344 F HN 0.189 nan 8.300 nan 0.000 0.564 345 C N 10.399 129.375 119.300 -0.540 0.000 2.517 345 C HA 0.068 4.507 4.460 -0.035 0.000 0.403 345 C C -0.657 174.274 174.990 -0.097 0.000 1.467 345 C CA -1.027 57.827 59.018 -0.273 0.000 1.542 345 C CB -0.367 27.221 27.740 -0.253 0.000 2.482 345 C HN 0.780 nan 8.230 nan 0.000 0.610 346 P HA 0.100 nan 4.420 nan 0.000 0.233 346 P C 0.926 178.299 177.300 0.122 0.000 1.167 346 P CA 1.399 64.598 63.100 0.164 0.000 0.770 346 P CB 0.046 31.917 31.700 0.284 0.000 0.837 347 G N 0.384 109.217 108.800 0.055 0.000 3.605 347 G HA2 0.055 3.994 3.960 -0.035 0.000 0.277 347 G HA3 0.055 3.994 3.960 -0.035 0.000 0.277 347 G C 1.365 176.205 174.900 -0.100 0.000 1.093 347 G CA 0.441 45.571 45.100 0.050 0.000 0.821 347 G HN 0.315 nan 8.290 nan 0.000 0.532 348 S N 0.818 116.310 115.700 -0.346 0.000 2.374 348 S HA -0.105 4.344 4.470 -0.035 0.000 0.227 348 S C 2.560 176.882 174.600 -0.463 0.000 1.037 348 S CA 1.585 59.209 58.200 -0.959 0.000 1.024 348 S CB -0.369 62.044 63.200 -1.312 0.000 0.861 348 S HN 0.492 nan 8.310 nan 0.000 0.456 349 A N 1.401 124.110 122.820 -0.185 0.000 1.930 349 A HA 0.171 4.470 4.320 -0.035 0.000 0.217 349 A C 2.246 179.837 177.584 0.012 0.000 1.175 349 A CA 1.420 53.427 52.037 -0.051 0.000 0.627 349 A CB -0.798 18.195 19.000 -0.010 0.000 0.815 349 A HN 0.542 nan 8.150 nan 0.000 0.443 350 L N -0.018 121.216 121.223 0.018 0.000 2.109 350 L HA 0.062 4.381 4.340 -0.035 0.000 0.207 350 L C 2.358 179.302 176.870 0.124 0.000 1.086 350 L CA 2.049 56.925 54.840 0.059 0.000 0.760 350 L CB -0.924 41.159 42.059 0.040 0.000 0.910 350 L HN 0.291 nan 8.230 nan 0.000 0.437 351 G N -0.835 108.046 108.800 0.134 0.000 2.421 351 G HA2 -0.254 3.685 3.960 -0.035 0.000 0.216 351 G HA3 -0.254 3.685 3.960 -0.035 0.000 0.216 351 G C 1.760 176.844 174.900 0.308 0.000 1.171 351 G CA 0.716 45.963 45.100 0.245 0.000 0.775 351 G HN 0.347 nan 8.290 nan 0.000 0.543 352 R N -0.494 120.159 120.500 0.255 0.000 2.083 352 R HA -0.072 4.247 4.340 -0.035 0.000 0.237 352 R C 2.925 179.356 176.300 0.218 0.000 1.137 352 R CA 1.437 57.688 56.100 0.252 0.000 0.951 352 R CB -0.270 30.144 30.300 0.189 0.000 0.851 352 R HN 0.241 nan 8.270 nan 0.000 0.434 353 R N -0.456 120.149 120.500 0.175 0.000 2.090 353 R HA -0.081 4.238 4.340 -0.035 0.000 0.228 353 R C 2.230 178.624 176.300 0.157 0.000 1.110 353 R CA 1.458 57.642 56.100 0.140 0.000 0.973 353 R CB -0.998 29.364 30.300 0.105 0.000 0.869 353 R HN 0.542 nan 8.270 nan 0.000 0.440 354 H N -0.191 118.941 119.070 0.104 0.000 2.319 354 H HA -0.088 4.447 4.556 -0.034 0.000 0.297 354 H C 1.932 177.321 175.328 0.101 0.000 1.097 354 H CA 2.146 58.248 56.048 0.090 0.000 1.285 354 H CB -0.245 29.585 29.762 0.112 0.000 1.368 354 H HN 0.415 nan 8.280 nan 0.000 0.495 355 A N 0.813 123.770 122.820 0.227 0.000 1.897 355 A HA -0.152 4.148 4.320 -0.035 0.000 0.215 355 A C 2.489 180.128 177.584 0.090 0.000 1.181 355 A CA 1.352 53.501 52.037 0.186 0.000 0.620 355 A CB -0.541 18.744 19.000 0.475 0.000 0.821 355 A HN 0.569 nan 8.150 nan 0.000 0.443 356 Q N -0.420 119.452 119.800 0.120 0.000 2.061 356 Q HA -0.122 4.197 4.340 -0.035 0.000 0.204 356 Q C 2.044 178.069 176.000 0.043 0.000 0.984 356 Q CA 1.700 57.556 55.803 0.087 0.000 0.846 356 Q CB -0.317 28.479 28.738 0.097 0.000 0.902 356 Q HN 0.728 nan 8.270 nan 0.000 0.421 357 I N 0.023 120.603 120.570 0.017 0.000 2.252 357 I HA -0.170 3.979 4.170 -0.035 0.000 0.245 357 I C 2.321 178.425 176.117 -0.022 0.000 1.102 357 I CA 1.031 62.328 61.300 -0.006 0.000 1.385 357 I CB -0.646 37.347 38.000 -0.013 0.000 1.064 357 I HN 0.298 nan 8.210 nan 0.000 0.414 358 G N 1.367 110.112 108.800 -0.092 0.000 2.421 358 G HA2 -0.206 3.733 3.960 -0.035 0.000 0.216 358 G HA3 -0.206 3.733 3.960 -0.035 0.000 0.216 358 G C 1.701 176.676 174.900 0.125 0.000 1.171 358 G CA 0.644 45.729 45.100 -0.025 0.000 0.775 358 G HN 0.285 nan 8.290 nan 0.000 0.543 359 I N 0.340 120.945 120.570 0.058 0.000 2.202 359 I HA -0.129 4.020 4.170 -0.035 0.000 0.242 359 I C 2.666 178.809 176.117 0.043 0.000 1.091 359 I CA 1.444 62.778 61.300 0.055 0.000 1.368 359 I CB -0.260 37.765 38.000 0.042 0.000 1.058 359 I HN 0.302 nan 8.210 nan 0.000 0.410 360 E N 1.323 121.547 120.200 0.039 0.000 2.070 360 E HA -0.299 4.030 4.350 -0.035 0.000 0.197 360 E C 2.217 178.831 176.600 0.023 0.000 1.004 360 E CA 1.691 58.109 56.400 0.031 0.000 0.805 360 E CB -0.055 29.659 29.700 0.024 0.000 0.744 360 E HN 0.504 nan 8.360 nan 0.000 0.451 361 A N 0.704 123.539 122.820 0.025 0.000 1.930 361 A HA -0.119 4.180 4.320 -0.035 0.000 0.217 361 A C 2.099 179.652 177.584 -0.051 0.000 1.175 361 A CA 1.163 53.204 52.037 0.005 0.000 0.627 361 A CB -0.500 18.524 19.000 0.040 0.000 0.815 361 A HN 0.383 nan 8.150 nan 0.000 0.443 362 L N -0.322 120.864 121.223 -0.061 0.000 2.072 362 L HA 0.009 4.328 4.340 -0.035 0.000 0.205 362 L C 2.190 178.978 176.870 -0.136 0.000 1.079 362 L CA 1.451 56.167 54.840 -0.206 0.000 0.752 362 L CB -0.393 41.530 42.059 -0.227 0.000 0.906 362 L HN 0.364 nan 8.230 nan 0.000 0.436 363 L N -0.265 120.935 121.223 -0.038 0.000 2.127 363 L HA -0.245 4.074 4.340 -0.035 0.000 0.211 363 L C 2.605 179.540 176.870 0.109 0.000 1.089 363 L CA 1.784 56.642 54.840 0.030 0.000 0.757 363 L CB -0.573 41.550 42.059 0.107 0.000 0.899 363 L HN 0.374 nan 8.230 nan 0.000 0.434 364 K N 0.115 120.561 120.400 0.077 0.000 2.044 364 K HA -0.112 4.187 4.320 -0.035 0.000 0.204 364 K C 2.146 178.750 176.600 0.006 0.000 1.049 364 K CA 0.899 57.239 56.287 0.089 0.000 0.945 364 K CB 0.202 32.720 32.500 0.029 0.000 0.724 364 K HN 0.057 nan 8.250 nan 0.000 0.440 365 K N -0.175 120.172 120.400 -0.088 0.000 2.167 365 K HA 0.039 4.339 4.320 -0.035 0.000 0.203 365 K C 0.620 177.087 176.600 -0.222 0.000 1.052 365 K CA 0.829 57.020 56.287 -0.160 0.000 0.956 365 K CB 0.307 32.666 32.500 -0.235 0.000 0.735 365 K HN 0.270 nan 8.250 nan 0.000 0.451 366 M N 1.531 120.990 119.600 -0.234 0.000 2.693 366 M HA 0.144 4.603 4.480 -0.035 0.000 0.224 366 M C -2.054 174.159 176.300 -0.144 0.000 1.149 366 M CA -1.331 53.830 55.300 -0.232 0.000 0.622 366 M CB 1.637 34.015 32.600 -0.370 0.000 1.443 366 M HN -0.205 nan 8.290 nan 0.000 0.431 367 P HA -0.062 nan 4.420 nan 0.000 0.220 367 P C 1.236 178.424 177.300 -0.187 0.000 1.148 367 P CA 1.269 64.168 63.100 -0.335 0.000 0.803 367 P CB 0.111 31.467 31.700 -0.573 0.000 0.782 368 G N 0.219 108.982 108.800 -0.060 0.000 3.026 368 G HA2 0.022 3.961 3.960 -0.035 0.000 0.208 368 G HA3 0.022 3.961 3.960 -0.035 0.000 0.208 368 G C 0.345 175.280 174.900 0.058 0.000 1.169 368 G CA -0.182 44.921 45.100 0.005 0.000 0.788 368 G HN 0.265 nan 8.290 nan 0.000 0.533 369 V N 0.964 120.911 119.914 0.056 0.000 2.584 369 V HA 0.275 4.374 4.120 -0.035 0.000 0.303 369 V C -0.512 175.611 176.094 0.049 0.000 1.035 369 V CA 0.396 62.747 62.300 0.085 0.000 1.172 369 V CB 1.149 32.975 31.823 0.005 0.000 0.896 369 V HN 0.323 nan 8.190 nan 0.000 0.486 370 D N 4.142 124.579 120.400 0.062 0.000 2.602 370 D HA 0.361 4.980 4.640 -0.035 0.000 0.236 370 D C -0.681 175.638 176.300 0.032 0.000 1.209 370 D CA -0.617 53.402 54.000 0.031 0.000 0.831 370 D CB 1.560 42.367 40.800 0.012 0.000 1.478 370 D HN 0.514 nan 8.370 nan 0.000 0.438 371 L N 1.304 122.539 121.223 0.020 0.000 2.485 371 L HA 0.329 4.648 4.340 -0.035 0.000 0.275 371 L C 1.318 178.187 176.870 -0.000 0.000 1.207 371 L CA -0.029 54.820 54.840 0.014 0.000 0.855 371 L CB 0.822 42.889 42.059 0.014 0.000 1.114 371 L HN 0.618 nan 8.230 nan 0.000 0.485 372 A N 3.711 126.527 122.820 -0.007 0.000 2.275 372 A HA 0.337 4.636 4.320 -0.035 0.000 0.212 372 A C 0.271 177.839 177.584 -0.027 0.000 1.201 372 A CA 0.227 52.248 52.037 -0.028 0.000 0.843 372 A CB 0.005 18.982 19.000 -0.038 0.000 0.873 372 A HN 0.506 nan 8.150 nan 0.000 0.492 373 V N -4.504 115.400 119.914 -0.017 0.000 3.007 373 V HA 0.654 4.753 4.120 -0.035 0.000 0.311 373 V C -3.368 172.724 176.094 -0.003 0.000 1.120 373 V CA -2.849 59.441 62.300 -0.015 0.000 0.980 373 V CB 1.331 33.141 31.823 -0.021 0.000 1.033 373 V HN 0.019 nan 8.190 nan 0.000 0.429 374 P HA 0.243 nan 4.420 nan 0.000 0.264 374 P C 0.945 178.262 177.300 0.028 0.000 1.183 374 P CA 0.188 63.297 63.100 0.014 0.000 0.763 374 P CB 0.590 32.298 31.700 0.014 0.000 0.807 375 I N 2.154 122.751 120.570 0.045 0.000 2.315 375 I HA -0.302 3.847 4.170 -0.035 0.000 0.251 375 I C 1.107 177.288 176.117 0.107 0.000 1.125 375 I CA 1.789 63.135 61.300 0.077 0.000 1.392 375 I CB -0.018 38.039 38.000 0.096 0.000 1.065 375 I HN 0.272 nan 8.210 nan 0.000 0.424 376 D N 0.345 120.798 120.400 0.089 0.000 2.309 376 D HA -0.156 4.463 4.640 -0.035 0.000 0.212 376 D C 1.946 178.296 176.300 0.084 0.000 0.968 376 D CA 0.689 54.750 54.000 0.103 0.000 0.882 376 D CB -0.125 40.716 40.800 0.070 0.000 0.918 376 D HN 0.442 nan 8.370 nan 0.000 0.503 377 Q N -0.143 119.683 119.800 0.043 0.000 2.472 377 Q HA 0.084 4.403 4.340 -0.035 0.000 0.208 377 Q C 0.655 176.634 176.000 -0.034 0.000 0.958 377 Q CA 0.035 55.843 55.803 0.008 0.000 0.932 377 Q CB 0.221 28.955 28.738 -0.006 0.000 1.007 377 Q HN 0.383 nan 8.270 nan 0.000 0.508 378 L N 1.171 122.361 121.223 -0.055 0.000 2.490 378 L HA 0.055 4.375 4.340 -0.035 0.000 0.274 378 L C 0.069 176.755 176.870 -0.307 0.000 1.201 378 L CA -0.212 54.483 54.840 -0.241 0.000 0.869 378 L CB 0.418 42.264 42.059 -0.354 0.000 1.123 378 L HN -0.206 nan 8.230 nan 0.000 0.484 379 V N 2.695 122.386 119.914 -0.372 0.000 2.333 379 V HA 0.165 4.264 4.120 -0.035 0.000 0.274 379 V C -0.447 175.433 176.094 -0.357 0.000 1.028 379 V CA -0.476 61.684 62.300 -0.232 0.000 0.851 379 V CB 0.666 32.405 31.823 -0.140 0.000 1.000 379 V HN 0.556 nan 8.190 nan 0.000 0.456 380 W N 4.428 125.723 121.300 -0.008 0.000 2.335 380 W HA 0.497 5.135 4.660 -0.036 0.000 0.306 380 W C 0.837 177.346 176.519 -0.018 0.000 1.216 380 W CA -0.545 56.796 57.345 -0.006 0.000 1.237 380 W CB 0.572 30.037 29.460 0.009 0.000 1.243 380 W HN 0.432 nan 8.180 nan 0.000 0.493 381 R N 2.602 123.191 120.500 0.148 0.000 2.484 381 R HA 0.083 4.402 4.340 -0.035 0.000 0.293 381 R C 0.410 176.784 176.300 0.124 0.000 1.023 381 R CA 0.384 56.507 56.100 0.038 0.000 1.037 381 R CB 0.353 30.573 30.300 -0.133 0.000 0.951 381 R HN 0.557 nan 8.270 nan 0.000 0.418 382 T N 1.640 116.246 114.554 0.087 0.000 2.944 382 T HA 0.329 4.658 4.350 -0.035 0.000 0.284 382 T C -0.020 174.760 174.700 0.134 0.000 1.010 382 T CA -0.973 61.193 62.100 0.110 0.000 1.025 382 T CB 1.174 70.089 68.868 0.078 0.000 1.079 382 T HN 0.773 nan 8.240 nan 0.000 0.516 383 R N -0.234 120.340 120.500 0.124 0.000 3.322 383 R HA -0.161 4.159 4.340 -0.035 0.000 0.253 383 R C -1.157 175.272 176.300 0.215 0.000 0.987 383 R CA 0.239 56.410 56.100 0.119 0.000 0.666 383 R CB -2.030 28.317 30.300 0.079 0.000 1.072 383 R HN 0.615 nan 8.270 nan 0.000 0.447 384 F N -0.806 119.152 119.950 0.013 0.000 2.599 384 F HA 0.206 4.712 4.527 -0.034 0.000 0.311 384 F C 1.227 177.030 175.800 0.005 0.000 1.076 384 F CA -0.993 57.019 58.000 0.019 0.000 0.937 384 F CB 1.649 40.666 39.000 0.029 0.000 1.282 384 F HN -0.113 nan 8.300 nan 0.000 0.460 385 Q N 1.461 120.971 119.800 -0.483 0.000 2.435 385 Q HA 0.122 4.441 4.340 -0.035 0.000 0.207 385 Q C -0.105 175.701 176.000 -0.323 0.000 0.956 385 Q CA 0.625 56.226 55.803 -0.337 0.000 0.917 385 Q CB 0.330 28.880 28.738 -0.314 0.000 0.997 385 Q HN 0.200 nan 8.270 nan 0.000 0.497 386 R N 0.289 120.665 120.500 -0.206 0.000 2.803 386 R HA 0.443 4.762 4.340 -0.035 0.000 0.276 386 R C -0.649 175.794 176.300 0.238 0.000 0.978 386 R CA -0.624 55.469 56.100 -0.012 0.000 0.939 386 R CB 1.168 31.477 30.300 0.015 0.000 1.179 386 R HN 0.030 nan 8.270 nan 0.000 0.472 387 R N 2.311 122.921 120.500 0.184 0.000 2.229 387 R HA 0.591 4.910 4.340 -0.035 0.000 0.328 387 R C 0.054 176.589 176.300 0.392 0.000 1.009 387 R CA -0.340 55.923 56.100 0.272 0.000 0.864 387 R CB 0.682 31.062 30.300 0.132 0.000 1.085 387 R HN 0.574 nan 8.270 nan 0.000 0.453 388 I N -0.400 120.441 120.570 0.453 0.000 2.841 388 I HA 0.503 4.652 4.170 -0.035 0.000 0.298 388 I C -2.810 173.273 176.117 -0.057 0.000 1.304 388 I CA -3.036 58.419 61.300 0.260 0.000 1.019 388 I CB 2.819 40.874 38.000 0.092 0.000 1.282 388 I HN 0.358 nan 8.210 nan 0.000 0.432 389 P HA 0.215 nan 4.420 nan 0.000 0.285 389 P C -0.079 177.005 177.300 -0.360 0.000 1.259 389 P CA -0.008 62.621 63.100 -0.785 0.000 0.794 389 P CB 1.492 32.651 31.700 -0.901 0.000 0.940 390 E N 2.355 122.375 120.200 -0.300 0.000 2.110 390 E HA -0.114 4.215 4.350 -0.035 0.000 0.193 390 E C 0.422 176.939 176.600 -0.139 0.000 0.988 390 E CA 1.366 57.658 56.400 -0.180 0.000 0.804 390 E CB 0.142 29.753 29.700 -0.149 0.000 0.745 390 E HN 0.540 nan 8.360 nan 0.000 0.458 391 R N -0.317 120.085 120.500 -0.163 0.000 2.725 391 R HA 0.406 4.725 4.340 -0.035 0.000 0.277 391 R C -1.033 175.184 176.300 -0.138 0.000 0.987 391 R CA -0.756 55.276 56.100 -0.113 0.000 0.901 391 R CB 1.638 31.889 30.300 -0.082 0.000 1.207 391 R HN -0.110 nan 8.270 nan 0.000 0.463 392 L N 3.643 124.815 121.223 -0.085 0.000 2.445 392 L HA 0.469 4.788 4.340 -0.035 0.000 0.252 392 L C -2.627 174.228 176.870 -0.025 0.000 1.105 392 L CA -2.351 52.446 54.840 -0.070 0.000 0.943 392 L CB 1.042 43.070 42.059 -0.050 0.000 1.277 392 L HN 0.396 nan 8.230 nan 0.000 0.465 393 P HA 0.270 nan 4.420 nan 0.000 0.276 393 P C -0.793 176.519 177.300 0.021 0.000 1.253 393 P CA 0.024 63.125 63.100 0.001 0.000 0.766 393 P CB 1.119 32.808 31.700 -0.017 0.000 0.845 394 V N 2.293 122.247 119.914 0.068 0.000 3.001 394 V HA 0.828 4.927 4.120 -0.035 0.000 0.314 394 V C -0.609 175.564 176.094 0.133 0.000 1.099 394 V CA -1.107 61.254 62.300 0.102 0.000 0.989 394 V CB 1.739 33.638 31.823 0.126 0.000 1.040 394 V HN 0.330 nan 8.190 nan 0.000 0.434 395 L N 0.226 121.496 121.223 0.079 0.000 2.257 395 L HA 1.115 5.434 4.340 -0.035 0.000 0.257 395 L C -0.546 176.385 176.870 0.102 0.000 1.033 395 L CA -0.582 54.188 54.840 -0.117 0.000 0.835 395 L CB 1.371 43.276 42.059 -0.258 0.000 1.398 395 L HN 1.135 nan 8.230 nan 0.000 0.429 396 W N 0.000 121.262 121.300 -0.063 0.000 2.388 396 W HA 0.000 4.639 4.660 -0.035 0.000 0.303 396 W CA 0.000 57.302 57.345 -0.072 0.000 1.226 396 W CB 0.000 29.407 29.460 -0.089 0.000 1.126 396 W HN 0.000 nan 8.180 nan 0.000 0.535