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 3g2o_1_A DATA FIRST_RESID 8 DATA SEQUENCE GPVRTPHADV LLASVGERGV LCDFYDEGAX XXXXXXXXXX DGTSEAREFA DATA SEQUENCE TRTXXVSGPV LELAAGMGRL TFPFLDLGWE VTALELSTSV LAAFRKRLAE DATA SEQUENCE APADVRDRCT LVQGDMSAFA LDKRFGTVVI SSGSINELDE ADRRGLYASV DATA SEQUENCE REHLEPGGKF LLSLAMSEAA ESEPLERKQX XXXXXXXXXV LHVRHLPAEE DATA SEQUENCE IQEITIHPAD ETTDPFVVCT HRRRLLAPDQ VVRELVRSGF DVIAQTPFAS DATA SEQUENCE GGAGRKDMVL VEAVMPG 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 8 G HA2 0.000 nan 3.960 nan 0.000 0.244 8 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 8 G C 0.000 174.932 174.900 0.054 0.000 0.946 8 G CA 0.000 45.125 45.100 0.041 0.000 0.502 9 P HA 0.595 nan 4.420 nan 0.000 0.277 9 P C -0.257 177.082 177.300 0.065 0.000 1.240 9 P CA -0.522 62.625 63.100 0.078 0.000 0.798 9 P CB 1.605 33.353 31.700 0.080 0.000 0.979 10 V N 2.633 122.589 119.914 0.071 0.000 2.493 10 V HA 0.021 4.145 4.120 0.007 0.000 0.292 10 V C 1.123 177.250 176.094 0.054 0.000 1.016 10 V CA 0.136 62.466 62.300 0.050 0.000 1.097 10 V CB -0.466 31.380 31.823 0.038 0.000 0.947 10 V HN 0.464 nan 8.190 nan 0.000 0.479 11 R N 4.030 124.556 120.500 0.043 0.000 2.408 11 R HA 0.247 4.591 4.340 0.007 0.000 0.308 11 R C 0.464 176.790 176.300 0.043 0.000 1.210 11 R CA -0.258 55.868 56.100 0.044 0.000 1.115 11 R CB 0.432 30.754 30.300 0.035 0.000 1.127 11 R HN 0.930 nan 8.270 nan 0.000 0.523 12 T N 1.143 115.731 114.554 0.056 0.000 2.904 12 T HA 0.243 4.597 4.350 0.007 0.000 0.290 12 T C -1.756 172.982 174.700 0.064 0.000 1.018 12 T CA -1.738 60.398 62.100 0.060 0.000 1.075 12 T CB 1.475 70.387 68.868 0.072 0.000 0.986 12 T HN 0.228 nan 8.240 nan 0.000 0.523 13 P HA -0.202 nan 4.420 nan 0.000 0.216 13 P C 1.432 178.764 177.300 0.053 0.000 1.153 13 P CA 1.221 64.349 63.100 0.047 0.000 0.858 13 P CB -0.128 31.601 31.700 0.047 0.000 0.789 14 H N -0.423 118.656 119.070 0.015 0.000 2.423 14 H HA 0.036 4.595 4.556 0.005 0.000 0.297 14 H C 1.738 177.070 175.328 0.007 0.000 1.075 14 H CA 1.627 57.683 56.048 0.013 0.000 1.342 14 H CB -0.266 29.515 29.762 0.032 0.000 1.395 14 H HN -0.035 nan 8.280 nan 0.000 0.530 15 A N 0.825 123.742 122.820 0.162 0.000 1.898 15 A HA -0.142 4.182 4.320 0.007 0.000 0.216 15 A C 2.235 179.842 177.584 0.038 0.000 1.181 15 A CA 1.418 53.522 52.037 0.113 0.000 0.620 15 A CB -0.325 18.740 19.000 0.109 0.000 0.819 15 A HN 0.424 nan 8.150 nan 0.000 0.442 16 D N -0.108 120.303 120.400 0.018 0.000 2.116 16 D HA -0.142 4.502 4.640 0.007 0.000 0.193 16 D C 2.051 178.326 176.300 -0.041 0.000 0.998 16 D CA 1.891 55.888 54.000 -0.005 0.000 0.836 16 D CB -0.210 40.587 40.800 -0.004 0.000 0.951 16 D HN 0.251 nan 8.370 nan 0.000 0.449 17 V N 1.224 121.086 119.914 -0.087 0.000 2.453 17 V HA -0.165 3.959 4.120 0.007 0.000 0.247 17 V C 2.664 178.666 176.094 -0.154 0.000 1.048 17 V CA 0.772 62.993 62.300 -0.132 0.000 1.049 17 V CB -0.345 31.369 31.823 -0.183 0.000 0.672 17 V HN 0.158 nan 8.190 nan 0.000 0.457 18 L N -0.609 120.510 121.223 -0.174 0.000 1.970 18 L HA -0.221 4.123 4.340 0.007 0.000 0.212 18 L C 2.436 179.250 176.870 -0.094 0.000 1.071 18 L CA 1.849 56.601 54.840 -0.148 0.000 0.751 18 L CB -0.451 41.579 42.059 -0.048 0.000 0.889 18 L HN 0.282 nan 8.230 nan 0.000 0.432 19 L N -0.829 120.385 121.223 -0.015 0.000 2.046 19 L HA -0.221 4.123 4.340 0.007 0.000 0.208 19 L C 2.816 179.668 176.870 -0.031 0.000 1.077 19 L CA 1.172 56.017 54.840 0.009 0.000 0.747 19 L CB -0.781 41.301 42.059 0.040 0.000 0.896 19 L HN 0.273 nan 8.230 nan 0.000 0.432 20 A N -0.084 122.709 122.820 -0.045 0.000 1.883 20 A HA -0.225 4.099 4.320 0.007 0.000 0.217 20 A C 2.345 179.888 177.584 -0.069 0.000 1.186 20 A CA 2.067 54.074 52.037 -0.049 0.000 0.624 20 A CB -0.706 18.264 19.000 -0.050 0.000 0.822 20 A HN 0.485 nan 8.150 nan 0.000 0.444 21 S N -1.646 113.994 115.700 -0.100 0.000 2.710 21 S HA 0.299 4.773 4.470 0.007 0.000 0.224 21 S C 0.838 175.344 174.600 -0.156 0.000 0.948 21 S CA 0.598 58.726 58.200 -0.119 0.000 0.949 21 S CB 0.531 63.651 63.200 -0.132 0.000 0.778 21 S HN 0.365 nan 8.310 nan 0.000 0.498 22 V N -0.656 119.169 119.914 -0.148 0.000 3.408 22 V HA 0.432 4.556 4.120 0.007 0.000 0.263 22 V C 1.496 177.537 176.094 -0.090 0.000 1.503 22 V CA 0.874 63.066 62.300 -0.181 0.000 1.046 22 V CB 0.113 31.755 31.823 -0.302 0.000 0.851 22 V HN 0.783 nan 8.190 nan 0.000 0.435 23 G N 1.193 109.960 108.800 -0.055 0.000 2.609 23 G HA2 -0.375 3.589 3.960 0.007 0.000 0.288 23 G HA3 -0.375 3.589 3.960 0.007 0.000 0.288 23 G C 0.502 175.400 174.900 -0.004 0.000 1.211 23 G CA 0.737 45.821 45.100 -0.028 0.000 0.963 23 G HN 0.421 nan 8.290 nan 0.000 0.541 24 E N 0.910 121.110 120.200 -0.000 0.000 2.318 24 E HA 0.211 4.565 4.350 0.007 0.000 0.193 24 E C 2.555 179.173 176.600 0.029 0.000 0.998 24 E CA 0.682 57.090 56.400 0.013 0.000 0.859 24 E CB 0.015 29.720 29.700 0.009 0.000 0.812 24 E HN 0.533 nan 8.360 nan 0.000 0.492 25 R N 0.639 121.159 120.500 0.033 0.000 2.235 25 R HA 0.073 4.417 4.340 0.007 0.000 0.213 25 R C 1.011 177.384 176.300 0.121 0.000 1.059 25 R CA 0.620 56.761 56.100 0.068 0.000 0.997 25 R CB -0.103 30.236 30.300 0.066 0.000 0.884 25 R HN -0.018 nan 8.270 nan 0.000 0.462 26 G N 0.871 109.737 108.800 0.110 0.000 2.378 26 G HA2 0.348 4.312 3.960 0.007 0.000 0.255 26 G HA3 0.348 4.312 3.960 0.007 0.000 0.255 26 G C -0.603 174.369 174.900 0.121 0.000 1.270 26 G CA -0.283 44.917 45.100 0.166 0.000 0.876 26 G HN -0.053 nan 8.290 nan 0.000 0.521 27 V N 3.694 123.684 119.914 0.128 0.000 2.531 27 V HA 0.375 4.499 4.120 0.007 0.000 0.301 27 V C -0.397 175.738 176.094 0.069 0.000 1.034 27 V CA -0.816 61.529 62.300 0.075 0.000 0.865 27 V CB 1.545 33.398 31.823 0.049 0.000 0.995 27 V HN 0.705 nan 8.190 nan 0.000 0.424 28 L N 7.071 128.331 121.223 0.062 0.000 2.287 28 L HA 0.874 5.218 4.340 0.007 0.000 0.287 28 L C -0.218 176.685 176.870 0.054 0.000 1.022 28 L CA 0.155 55.032 54.840 0.062 0.000 0.814 28 L CB 0.874 42.971 42.059 0.064 0.000 1.217 28 L HN 0.971 nan 8.230 nan 0.000 0.420 29 C N 1.322 120.656 119.300 0.057 0.000 2.994 29 C HA 0.548 5.012 4.460 0.007 0.000 0.305 29 C C -0.230 174.812 174.990 0.087 0.000 1.251 29 C CA -1.139 57.914 59.018 0.058 0.000 1.478 29 C CB 1.455 29.216 27.740 0.034 0.000 1.922 29 C HN 0.874 nan 8.230 nan 0.000 0.472 30 D N 0.190 120.652 120.400 0.105 0.000 2.423 30 D HA 0.027 4.671 4.640 0.007 0.000 0.238 30 D C 0.586 176.966 176.300 0.133 0.000 1.142 30 D CA 0.057 54.158 54.000 0.169 0.000 0.884 30 D CB 0.483 41.410 40.800 0.212 0.000 1.199 30 D HN 0.632 nan 8.370 nan 0.000 0.438 31 F N 3.543 123.463 119.950 -0.050 0.000 2.250 31 F HA -0.191 4.341 4.527 0.008 0.000 0.301 31 F C 0.562 176.106 175.800 -0.428 0.000 1.077 31 F CA 1.091 58.915 58.000 -0.294 0.000 1.348 31 F CB -0.222 38.497 39.000 -0.469 0.000 1.040 31 F HN 0.363 nan 8.300 nan 0.000 0.509 32 Y N 1.251 121.437 120.300 -0.190 0.000 2.880 32 Y HA 0.215 4.768 4.550 0.006 0.000 0.386 32 Y C 0.422 176.224 175.900 -0.164 0.000 1.172 32 Y CA -0.374 57.560 58.100 -0.277 0.000 1.770 32 Y CB -0.740 37.574 38.460 -0.243 0.000 1.809 32 Y HN 0.209 nan 8.280 nan 0.000 0.472 33 D N -1.085 119.258 120.400 -0.094 0.000 2.805 33 D HA -0.011 4.633 4.640 0.007 0.000 0.119 33 D C -0.264 175.980 176.300 -0.094 0.000 1.340 33 D CA -0.349 53.618 54.000 -0.056 0.000 1.526 33 D CB -0.493 40.302 40.800 -0.008 0.000 1.924 33 D HN 0.201 nan 8.370 nan 0.000 0.210 34 E N 0.761 120.919 120.200 -0.071 0.000 1.881 34 E HA 0.500 4.854 4.350 0.007 0.000 0.264 34 E C 0.066 176.603 176.600 -0.104 0.000 1.243 34 E CA -0.408 55.949 56.400 -0.071 0.000 0.965 34 E CB 0.132 29.808 29.700 -0.041 0.000 1.055 34 E HN 0.471 nan 8.360 nan 0.000 0.412 35 G N 2.464 111.179 108.800 -0.143 0.000 3.378 35 G HA2 0.515 4.479 3.960 0.007 0.000 0.332 35 G HA3 0.515 4.479 3.960 0.007 0.000 0.332 35 G C -0.103 174.712 174.900 -0.141 0.000 1.490 35 G CA -0.327 44.657 45.100 -0.193 0.000 1.068 35 G HN 0.665 nan 8.290 nan 0.000 0.492 49 G N 0.302 109.094 108.800 -0.014 0.000 3.131 49 G HA2 -0.268 3.696 3.960 0.007 0.000 0.198 49 G HA3 -0.268 3.696 3.960 0.007 0.000 0.198 49 G C 1.271 176.130 174.900 -0.068 0.000 1.435 49 G CA 1.002 46.072 45.100 -0.050 0.000 1.016 49 G HN 1.335 nan 8.290 nan 0.000 0.499 50 T N 0.995 115.509 114.554 -0.067 0.000 2.849 50 T HA -0.032 4.322 4.350 0.007 0.000 0.270 50 T C 2.478 177.153 174.700 -0.041 0.000 1.066 50 T CA 2.757 64.815 62.100 -0.070 0.000 1.130 50 T CB -0.514 68.320 68.868 -0.056 0.000 0.864 50 T HN 1.223 nan 8.240 nan 0.000 0.481 51 S N 1.183 116.876 115.700 -0.013 0.000 2.421 51 S HA 0.084 4.558 4.470 0.007 0.000 0.224 51 S C 2.011 176.599 174.600 -0.020 0.000 1.035 51 S CA 0.471 58.669 58.200 -0.004 0.000 0.953 51 S CB -0.321 62.895 63.200 0.026 0.000 0.810 51 S HN 0.644 nan 8.310 nan 0.000 0.497 52 E N 2.121 122.351 120.200 0.050 0.000 2.051 52 E HA -0.126 4.228 4.350 0.007 0.000 0.192 52 E C 2.176 178.876 176.600 0.166 0.000 0.991 52 E CA 1.008 57.460 56.400 0.086 0.000 0.799 52 E CB -0.440 29.420 29.700 0.267 0.000 0.748 52 E HN 0.550 nan 8.360 nan 0.000 0.449 53 A N 1.660 124.555 122.820 0.126 0.000 1.927 53 A HA -0.277 4.047 4.320 0.007 0.000 0.220 53 A C 2.226 179.963 177.584 0.255 0.000 1.185 53 A CA 1.974 54.107 52.037 0.159 0.000 0.639 53 A CB -0.711 18.149 19.000 -0.233 0.000 0.820 53 A HN 0.294 nan 8.150 nan 0.000 0.451 54 R N -0.685 119.853 120.500 0.062 0.000 2.092 54 R HA -0.126 4.218 4.340 0.007 0.000 0.231 54 R C 1.946 178.234 176.300 -0.020 0.000 1.119 54 R CA 1.376 57.490 56.100 0.023 0.000 0.970 54 R CB -0.206 30.081 30.300 -0.022 0.000 0.864 54 R HN 0.497 nan 8.270 nan 0.000 0.440 55 E N 0.259 120.349 120.200 -0.183 0.000 2.070 55 E HA -0.228 4.126 4.350 0.007 0.000 0.197 55 E C 1.855 178.326 176.600 -0.215 0.000 1.004 55 E CA 1.425 57.587 56.400 -0.398 0.000 0.805 55 E CB -0.421 28.629 29.700 -1.084 0.000 0.744 55 E HN 0.325 nan 8.360 nan 0.000 0.451 56 F N 1.131 121.073 119.950 -0.013 0.000 2.069 56 F HA -0.200 4.331 4.527 0.006 0.000 0.298 56 F C 2.601 178.513 175.800 0.186 0.000 1.113 56 F CA 1.297 59.373 58.000 0.127 0.000 1.214 56 F CB -0.913 38.267 39.000 0.300 0.000 0.978 56 F HN 0.012 nan 8.300 nan 0.000 0.474 57 A N -0.705 122.367 122.820 0.420 0.000 1.917 57 A HA -0.240 4.084 4.320 0.007 0.000 0.219 57 A C 2.223 179.954 177.584 0.244 0.000 1.182 57 A CA 2.456 54.736 52.037 0.404 0.000 0.633 57 A CB -1.425 17.705 19.000 0.217 0.000 0.819 57 A HN 0.386 nan 8.150 nan 0.000 0.448 58 T N -0.366 114.262 114.554 0.123 0.000 2.833 58 T HA -0.100 4.254 4.350 0.007 0.000 0.269 58 T C 1.711 176.439 174.700 0.047 0.000 1.054 58 T CA 1.470 63.604 62.100 0.056 0.000 1.135 58 T CB -0.188 68.674 68.868 -0.010 0.000 0.869 58 T HN 0.549 nan 8.240 nan 0.000 0.466 59 R N 1.433 121.962 120.500 0.048 0.000 2.362 59 R HA 0.145 4.489 4.340 0.007 0.000 0.227 59 R C 1.165 177.496 176.300 0.052 0.000 0.905 59 R CA 0.113 56.230 56.100 0.028 0.000 1.067 59 R CB -0.167 30.122 30.300 -0.019 0.000 1.078 59 R HN 0.445 nan 8.270 nan 0.000 0.516 64 S N 2.000 117.624 115.700 -0.127 0.000 2.419 64 S HA 0.373 4.847 4.470 0.007 0.000 0.233 64 S C 0.899 175.448 174.600 -0.084 0.000 1.016 64 S CA 2.366 60.517 58.200 -0.083 0.000 0.974 64 S CB -0.403 62.759 63.200 -0.063 0.000 0.786 64 S HN 2.397 nan 8.310 nan 0.000 0.492 65 G N -0.194 108.535 108.800 -0.119 0.000 2.450 65 G HA2 0.431 4.395 3.960 0.007 0.000 0.273 65 G HA3 0.431 4.395 3.960 0.007 0.000 0.273 65 G C -3.243 171.595 174.900 -0.103 0.000 1.221 65 G CA -0.814 44.231 45.100 -0.092 0.000 0.900 65 G HN 0.159 nan 8.290 nan 0.000 0.483 66 P HA 0.378 nan 4.420 nan 0.000 0.265 66 P C -0.388 177.010 177.300 0.162 0.000 1.193 66 P CA -0.099 63.053 63.100 0.085 0.000 0.765 66 P CB 1.090 32.860 31.700 0.117 0.000 0.823 67 V N 4.388 124.346 119.914 0.074 0.000 2.483 67 V HA 0.269 4.393 4.120 0.007 0.000 0.295 67 V C 0.113 176.118 176.094 -0.148 0.000 1.035 67 V CA -0.731 61.534 62.300 -0.059 0.000 0.896 67 V CB 1.524 33.221 31.823 -0.210 0.000 0.986 67 V HN 0.352 nan 8.190 nan 0.000 0.447 68 L N 4.324 125.266 121.223 -0.468 0.000 2.264 68 L HA 0.504 4.848 4.340 0.007 0.000 0.289 68 L C -0.018 176.638 176.870 -0.356 0.000 1.044 68 L CA 0.362 54.756 54.840 -0.743 0.000 0.807 68 L CB 0.954 42.223 42.059 -1.317 0.000 1.192 68 L HN 0.814 nan 8.230 nan 0.000 0.425 69 E N 5.576 125.628 120.200 -0.247 0.000 2.133 69 E HA 0.373 4.727 4.350 0.007 0.000 0.274 69 E C -1.414 175.080 176.600 -0.178 0.000 0.930 69 E CA -0.641 55.683 56.400 -0.126 0.000 0.770 69 E CB 0.950 30.672 29.700 0.037 0.000 1.104 69 E HN 0.683 nan 8.360 nan 0.000 0.403 70 L N 3.114 124.242 121.223 -0.158 0.000 2.312 70 L HA 0.458 4.802 4.340 0.007 0.000 0.281 70 L C 0.463 177.270 176.870 -0.104 0.000 1.070 70 L CA -0.507 54.210 54.840 -0.204 0.000 0.805 70 L CB 1.409 43.357 42.059 -0.185 0.000 1.174 70 L HN 0.848 nan 8.230 nan 0.000 0.434 71 A N 2.516 125.265 122.820 -0.119 0.000 2.416 71 A HA -0.176 4.148 4.320 0.007 0.000 0.293 71 A C 1.303 178.880 177.584 -0.011 0.000 1.452 71 A CA 0.701 52.705 52.037 -0.054 0.000 0.738 71 A CB -1.394 17.589 19.000 -0.028 0.000 1.123 71 A HN 1.025 nan 8.150 nan 0.000 0.389 72 A N 0.098 122.921 122.820 0.005 0.000 2.066 72 A HA 0.441 4.765 4.320 0.007 0.000 0.218 72 A C 2.635 180.301 177.584 0.137 0.000 1.157 72 A CA 1.949 54.038 52.037 0.086 0.000 0.670 72 A CB -0.748 18.338 19.000 0.143 0.000 0.804 72 A HN 2.982 nan 8.150 nan 0.000 0.453 73 G N -0.939 107.933 108.800 0.119 0.000 2.531 73 G HA2 -0.352 3.612 3.960 0.007 0.000 0.274 73 G HA3 -0.352 3.612 3.960 0.007 0.000 0.274 73 G C 0.723 175.727 174.900 0.174 0.000 1.159 73 G CA 0.510 45.669 45.100 0.099 0.000 0.969 73 G HN 0.430 nan 8.290 nan 0.000 0.554 74 M N 1.984 121.605 119.600 0.035 0.000 2.431 74 M HA 0.378 4.862 4.480 0.007 0.000 0.237 74 M C 1.599 177.635 176.300 -0.440 0.000 1.130 74 M CA 1.269 56.499 55.300 -0.116 0.000 1.002 74 M CB 0.313 32.858 32.600 -0.091 0.000 1.524 74 M HN 2.114 nan 8.290 nan 0.000 0.482 75 G N 1.211 109.850 108.800 -0.269 0.000 2.164 75 G HA2 -0.249 3.715 3.960 0.007 0.000 0.212 75 G HA3 -0.249 3.715 3.960 0.007 0.000 0.212 75 G C 0.718 175.581 174.900 -0.062 0.000 1.031 75 G CA 0.374 45.321 45.100 -0.256 0.000 0.730 75 G HN 0.508 nan 8.290 nan 0.000 0.501 76 R N -0.551 119.898 120.500 -0.085 0.000 2.139 76 R HA 0.018 4.362 4.340 0.007 0.000 0.243 76 R C 2.024 178.227 176.300 -0.162 0.000 1.145 76 R CA 1.880 57.926 56.100 -0.090 0.000 0.976 76 R CB -0.162 30.100 30.300 -0.062 0.000 0.866 76 R HN 0.562 nan 8.270 nan 0.000 0.449 77 L N -1.396 119.676 121.223 -0.253 0.000 2.425 77 L HA 0.066 4.410 4.340 0.007 0.000 0.215 77 L C 2.074 178.472 176.870 -0.787 0.000 1.065 77 L CA 0.568 55.051 54.840 -0.596 0.000 0.842 77 L CB -0.040 41.630 42.059 -0.648 0.000 1.033 77 L HN 0.175 nan 8.230 nan 0.000 0.474 78 T N 0.361 114.707 114.554 -0.347 0.000 2.746 78 T HA -0.159 4.195 4.350 0.007 0.000 0.267 78 T C 1.652 176.217 174.700 -0.224 0.000 1.039 78 T CA 1.599 63.604 62.100 -0.160 0.000 1.142 78 T CB -0.336 68.550 68.868 0.030 0.000 0.866 78 T HN 0.049 nan 8.240 nan 0.000 0.444 79 F N 1.433 121.293 119.950 -0.151 0.000 2.084 79 F HA 0.050 4.581 4.527 0.006 0.000 0.296 79 F C -0.448 175.264 175.800 -0.147 0.000 1.111 79 F CA 0.665 58.594 58.000 -0.118 0.000 1.224 79 F CB -1.786 37.123 39.000 -0.152 0.000 0.991 79 F HN 0.146 nan 8.300 nan 0.000 0.471 80 P HA -0.222 nan 4.420 nan 0.000 0.216 80 P C 1.653 178.836 177.300 -0.196 0.000 1.157 80 P CA 1.677 64.672 63.100 -0.175 0.000 0.880 80 P CB -0.251 31.274 31.700 -0.293 0.000 0.791 81 F N -1.219 118.552 119.950 -0.298 0.000 2.126 81 F HA -0.123 4.408 4.527 0.006 0.000 0.299 81 F C 2.329 177.909 175.800 -0.367 0.000 1.096 81 F CA 0.759 58.432 58.000 -0.545 0.000 1.255 81 F CB -1.811 37.009 39.000 -0.300 0.000 0.997 81 F HN -0.144 nan 8.300 nan 0.000 0.479 82 L N -0.401 120.842 121.223 0.033 0.000 2.131 82 L HA -0.206 4.138 4.340 0.007 0.000 0.210 82 L C 1.791 178.679 176.870 0.029 0.000 1.092 82 L CA 1.156 56.025 54.840 0.049 0.000 0.759 82 L CB -0.626 41.444 42.059 0.018 0.000 0.903 82 L HN 0.025 nan 8.230 nan 0.000 0.435 83 D N -0.086 120.312 120.400 -0.004 0.000 2.348 83 D HA -0.052 4.592 4.640 0.007 0.000 0.216 83 D C 1.995 178.272 176.300 -0.038 0.000 0.970 83 D CA 0.882 54.879 54.000 -0.004 0.000 0.889 83 D CB 0.175 40.969 40.800 -0.009 0.000 0.912 83 D HN 0.353 nan 8.370 nan 0.000 0.524 84 L N -1.080 120.071 121.223 -0.120 0.000 2.607 84 L HA 0.230 4.574 4.340 0.007 0.000 0.228 84 L C 1.605 178.508 176.870 0.054 0.000 1.123 84 L CA 0.335 55.096 54.840 -0.131 0.000 0.890 84 L CB 0.253 42.041 42.059 -0.450 0.000 1.103 84 L HN 0.092 nan 8.230 nan 0.000 0.468 85 G N -1.678 107.183 108.800 0.102 0.000 2.194 85 G HA2 -0.234 3.730 3.960 0.007 0.000 0.236 85 G HA3 -0.234 3.730 3.960 0.007 0.000 0.236 85 G C -0.159 174.929 174.900 0.314 0.000 0.987 85 G CA -0.592 44.623 45.100 0.192 0.000 0.635 85 G HN 0.117 nan 8.290 nan 0.000 0.520 86 W N 2.077 123.405 121.300 0.046 0.000 2.231 86 W HA 0.496 5.160 4.660 0.006 0.000 0.341 86 W C 0.792 177.329 176.519 0.031 0.000 1.298 86 W CA -0.689 56.673 57.345 0.027 0.000 1.266 86 W CB 0.126 29.591 29.460 0.008 0.000 1.172 86 W HN 0.209 nan 8.180 nan 0.000 0.568 87 E N 1.494 121.821 120.200 0.211 0.000 2.180 87 E HA 0.277 4.631 4.350 0.007 0.000 0.283 87 E C -0.773 175.923 176.600 0.159 0.000 1.061 87 E CA -0.291 56.195 56.400 0.143 0.000 0.861 87 E CB 0.942 30.695 29.700 0.087 0.000 1.056 87 E HN 0.037 nan 8.360 nan 0.000 0.407 88 V N 3.526 123.527 119.914 0.145 0.000 2.448 88 V HA 0.204 4.328 4.120 0.007 0.000 0.295 88 V C 0.090 176.217 176.094 0.054 0.000 1.025 88 V CA -0.787 61.585 62.300 0.120 0.000 0.859 88 V CB 2.028 33.947 31.823 0.159 0.000 0.988 88 V HN 0.631 nan 8.190 nan 0.000 0.431 89 T N 4.524 119.099 114.554 0.035 0.000 2.743 89 T HA 0.592 4.946 4.350 0.007 0.000 0.293 89 T C 0.169 174.780 174.700 -0.147 0.000 0.945 89 T CA -0.120 61.961 62.100 -0.032 0.000 1.030 89 T CB 1.141 70.050 68.868 0.069 0.000 0.912 89 T HN 0.897 nan 8.240 nan 0.000 0.483 90 A N 4.430 127.140 122.820 -0.184 0.000 2.256 90 A HA 0.677 5.000 4.320 0.007 0.000 0.317 90 A C -0.346 177.093 177.584 -0.241 0.000 1.318 90 A CA -0.691 51.217 52.037 -0.214 0.000 0.894 90 A CB 0.280 19.105 19.000 -0.290 0.000 1.165 90 A HN 0.883 nan 8.150 nan 0.000 0.525 91 L N 2.145 123.225 121.223 -0.239 0.000 2.309 91 L HA 0.847 5.191 4.340 0.007 0.000 0.282 91 L C -0.363 176.396 176.870 -0.184 0.000 1.036 91 L CA -0.238 54.452 54.840 -0.251 0.000 0.806 91 L CB 1.421 43.239 42.059 -0.401 0.000 1.220 91 L HN 0.761 nan 8.230 nan 0.000 0.429 92 E N 3.284 123.400 120.200 -0.141 0.000 2.372 92 E HA 0.215 4.569 4.350 0.007 0.000 0.279 92 E C -0.808 175.754 176.600 -0.065 0.000 0.946 92 E CA -0.645 55.706 56.400 -0.080 0.000 0.769 92 E CB 1.758 31.437 29.700 -0.034 0.000 1.230 92 E HN 0.525 nan 8.360 nan 0.000 0.442 93 L N 2.365 123.562 121.223 -0.044 0.000 2.127 93 L HA 0.366 4.710 4.340 0.007 0.000 0.203 93 L C 0.664 177.524 176.870 -0.016 0.000 1.080 93 L CA 1.247 56.069 54.840 -0.029 0.000 0.768 93 L CB -0.103 41.943 42.059 -0.023 0.000 0.924 93 L HN 0.463 nan 8.230 nan 0.000 0.444 94 S N -1.326 114.369 115.700 -0.010 0.000 2.499 94 S HA 0.133 4.607 4.470 0.007 0.000 0.275 94 S C 1.458 176.060 174.600 0.004 0.000 1.257 94 S CA 0.167 58.366 58.200 -0.002 0.000 1.050 94 S CB 0.687 63.888 63.200 0.001 0.000 0.937 94 S HN 0.562 nan 8.310 nan 0.000 0.490 95 T N 2.179 116.736 114.554 0.004 0.000 2.821 95 T HA -0.120 4.234 4.350 0.007 0.000 0.267 95 T C 1.970 176.680 174.700 0.016 0.000 1.046 95 T CA 1.398 63.502 62.100 0.007 0.000 1.139 95 T CB -0.815 68.055 68.868 0.004 0.000 0.871 95 T HN 0.722 nan 8.240 nan 0.000 0.454 96 S N 1.324 117.034 115.700 0.016 0.000 2.387 96 S HA -0.009 4.465 4.470 0.007 0.000 0.226 96 S C 2.082 176.703 174.600 0.034 0.000 1.026 96 S CA 0.762 58.974 58.200 0.021 0.000 0.972 96 S CB -0.998 62.210 63.200 0.012 0.000 0.814 96 S HN 0.358 nan 8.310 nan 0.000 0.477 97 V N 2.341 122.277 119.914 0.037 0.000 2.343 97 V HA -0.126 3.998 4.120 0.007 0.000 0.247 97 V C 2.551 178.713 176.094 0.113 0.000 1.051 97 V CA 1.747 64.085 62.300 0.063 0.000 1.036 97 V CB -0.896 30.959 31.823 0.052 0.000 0.654 97 V HN 0.434 nan 8.190 nan 0.000 0.451 98 L N -0.077 121.195 121.223 0.083 0.000 2.083 98 L HA -0.176 4.168 4.340 0.007 0.000 0.209 98 L C 2.698 179.629 176.870 0.101 0.000 1.083 98 L CA 1.506 56.394 54.840 0.080 0.000 0.752 98 L CB -0.704 41.357 42.059 0.005 0.000 0.899 98 L HN 0.371 nan 8.230 nan 0.000 0.433 99 A N -0.095 122.768 122.820 0.073 0.000 1.877 99 A HA -0.204 4.120 4.320 0.007 0.000 0.216 99 A C 2.519 180.161 177.584 0.096 0.000 1.186 99 A CA 1.793 53.871 52.037 0.068 0.000 0.620 99 A CB -0.766 18.259 19.000 0.042 0.000 0.822 99 A HN 0.410 nan 8.150 nan 0.000 0.443 100 A N -1.415 121.463 122.820 0.097 0.000 1.902 100 A HA -0.079 4.245 4.320 0.007 0.000 0.217 100 A C 2.121 179.794 177.584 0.149 0.000 1.181 100 A CA 1.475 53.564 52.037 0.087 0.000 0.623 100 A CB -0.733 18.298 19.000 0.051 0.000 0.818 100 A HN 0.628 nan 8.150 nan 0.000 0.443 101 F N -0.120 119.863 119.950 0.056 0.000 2.102 101 F HA -0.207 4.324 4.527 0.006 0.000 0.298 101 F C 2.557 178.430 175.800 0.122 0.000 1.105 101 F CA 1.803 59.869 58.000 0.110 0.000 1.239 101 F CB -0.044 38.999 39.000 0.071 0.000 0.991 101 F HN 0.144 nan 8.300 nan 0.000 0.474 102 R N 0.582 121.309 120.500 0.378 0.000 2.091 102 R HA -0.188 4.156 4.340 0.007 0.000 0.238 102 R C 2.200 178.613 176.300 0.189 0.000 1.136 102 R CA 1.775 58.013 56.100 0.230 0.000 0.959 102 R CB -0.152 30.215 30.300 0.111 0.000 0.856 102 R HN 0.233 nan 8.270 nan 0.000 0.437 103 K N -0.368 120.117 120.400 0.142 0.000 2.026 103 K HA -0.153 4.171 4.320 0.007 0.000 0.208 103 K C 2.172 178.817 176.600 0.074 0.000 1.048 103 K CA 1.566 57.903 56.287 0.083 0.000 0.929 103 K CB -0.076 32.452 32.500 0.045 0.000 0.713 103 K HN 0.158 nan 8.250 nan 0.000 0.439 104 R N 0.419 120.964 120.500 0.076 0.000 2.120 104 R HA -0.102 4.242 4.340 0.007 0.000 0.234 104 R C 2.214 178.586 176.300 0.120 0.000 1.123 104 R CA 0.769 56.855 56.100 -0.022 0.000 0.975 104 R CB -0.253 29.930 30.300 -0.195 0.000 0.866 104 R HN 0.090 nan 8.270 nan 0.000 0.446 105 L N 0.376 121.821 121.223 0.370 0.000 2.291 105 L HA 0.016 4.360 4.340 0.007 0.000 0.214 105 L C 2.049 179.050 176.870 0.219 0.000 1.120 105 L CA 1.239 56.335 54.840 0.426 0.000 0.799 105 L CB -0.228 42.094 42.059 0.438 0.000 0.925 105 L HN 0.077 nan 8.230 nan 0.000 0.446 106 A N -0.984 121.922 122.820 0.143 0.000 1.970 106 A HA -0.107 4.217 4.320 0.007 0.000 0.216 106 A C 2.006 179.627 177.584 0.061 0.000 1.170 106 A CA 1.220 53.310 52.037 0.087 0.000 0.645 106 A CB -0.346 18.693 19.000 0.064 0.000 0.816 106 A HN 0.555 nan 8.150 nan 0.000 0.447 107 E N -0.004 120.222 120.200 0.043 0.000 2.489 107 E HA 0.323 4.677 4.350 0.007 0.000 0.193 107 E C 0.592 177.203 176.600 0.018 0.000 1.057 107 E CA 0.074 56.481 56.400 0.011 0.000 0.866 107 E CB 0.102 29.785 29.700 -0.029 0.000 0.916 107 E HN 0.575 nan 8.360 nan 0.000 0.500 108 A N 2.397 125.257 122.820 0.067 0.000 2.322 108 A HA 0.376 4.700 4.320 0.007 0.000 0.269 108 A C -2.301 175.332 177.584 0.082 0.000 1.094 108 A CA -1.475 50.620 52.037 0.097 0.000 0.807 108 A CB 0.056 19.195 19.000 0.231 0.000 1.047 108 A HN -0.116 nan 8.150 nan 0.000 0.487 109 P HA 0.142 nan 4.420 nan 0.000 0.265 109 P C 0.878 178.218 177.300 0.066 0.000 1.187 109 P CA 0.709 63.844 63.100 0.058 0.000 0.766 109 P CB 0.658 32.390 31.700 0.053 0.000 0.820 110 A N 3.716 126.567 122.820 0.051 0.000 1.948 110 A HA -0.258 4.066 4.320 0.007 0.000 0.220 110 A C 1.869 179.484 177.584 0.052 0.000 1.177 110 A CA 2.191 54.258 52.037 0.049 0.000 0.636 110 A CB -1.178 17.844 19.000 0.037 0.000 0.815 110 A HN 0.721 nan 8.150 nan 0.000 0.449 111 D N -0.164 120.267 120.400 0.051 0.000 2.144 111 D HA -0.107 4.537 4.640 0.007 0.000 0.200 111 D C 1.857 178.196 176.300 0.064 0.000 0.978 111 D CA 1.669 55.701 54.000 0.053 0.000 0.833 111 D CB -0.719 40.110 40.800 0.048 0.000 0.961 111 D HN 0.264 nan 8.370 nan 0.000 0.470 112 V N 1.066 121.026 119.914 0.077 0.000 2.295 112 V HA -0.203 3.921 4.120 0.007 0.000 0.246 112 V C 2.931 179.080 176.094 0.091 0.000 1.049 112 V CA 1.848 64.205 62.300 0.095 0.000 1.024 112 V CB -0.801 31.101 31.823 0.132 0.000 0.648 112 V HN 0.178 nan 8.190 nan 0.000 0.447 113 R N -0.033 120.525 120.500 0.097 0.000 2.120 113 R HA -0.167 4.177 4.340 0.007 0.000 0.234 113 R C 1.758 178.093 176.300 0.058 0.000 1.123 113 R CA 1.694 57.849 56.100 0.091 0.000 0.975 113 R CB -0.177 30.177 30.300 0.090 0.000 0.866 113 R HN 0.547 nan 8.270 nan 0.000 0.446 114 D N -0.524 119.908 120.400 0.052 0.000 2.348 114 D HA -0.032 4.612 4.640 0.007 0.000 0.211 114 D C 1.145 177.468 176.300 0.039 0.000 0.998 114 D CA 0.598 54.621 54.000 0.039 0.000 0.873 114 D CB 0.156 40.978 40.800 0.037 0.000 0.925 114 D HN 0.225 nan 8.370 nan 0.000 0.524 115 R N -0.391 120.138 120.500 0.049 0.000 2.317 115 R HA 0.150 4.494 4.340 0.007 0.000 0.208 115 R C 0.143 176.472 176.300 0.047 0.000 0.914 115 R CA -0.115 56.019 56.100 0.057 0.000 1.060 115 R CB 0.401 30.749 30.300 0.080 0.000 1.015 115 R HN -0.007 nan 8.270 nan 0.000 0.498 116 C N 0.981 120.292 119.300 0.019 0.000 2.322 116 C HA 0.463 4.927 4.460 0.007 0.000 0.324 116 C C -0.086 174.875 174.990 -0.047 0.000 1.284 116 C CA -0.151 58.852 59.018 -0.025 0.000 1.606 116 C CB 1.004 28.709 27.740 -0.058 0.000 2.251 116 C HN 0.230 nan 8.230 nan 0.000 0.502 117 T N 6.934 121.451 114.554 -0.062 0.000 2.791 117 T HA 0.433 4.787 4.350 0.007 0.000 0.288 117 T C -0.696 173.915 174.700 -0.149 0.000 0.999 117 T CA -0.328 61.730 62.100 -0.069 0.000 0.952 117 T CB 1.036 69.903 68.868 -0.003 0.000 0.938 117 T HN 0.493 nan 8.240 nan 0.000 0.444 118 L N 4.953 126.061 121.223 -0.192 0.000 2.289 118 L HA 0.698 5.042 4.340 0.007 0.000 0.285 118 L C -0.760 176.012 176.870 -0.164 0.000 1.049 118 L CA -0.351 54.325 54.840 -0.273 0.000 0.804 118 L CB 1.199 43.052 42.059 -0.343 0.000 1.195 118 L HN 0.458 nan 8.230 nan 0.000 0.428 119 V N 4.206 124.023 119.914 -0.161 0.000 2.760 119 V HA 0.396 4.520 4.120 0.007 0.000 0.309 119 V C -0.401 175.632 176.094 -0.102 0.000 1.077 119 V CA -0.869 61.371 62.300 -0.101 0.000 0.910 119 V CB 1.806 33.585 31.823 -0.072 0.000 1.008 119 V HN 0.747 nan 8.190 nan 0.000 0.424 120 Q N 1.931 121.693 119.800 -0.064 0.000 2.288 120 Q HA 0.648 4.992 4.340 0.007 0.000 0.258 120 Q C -0.038 175.938 176.000 -0.040 0.000 0.957 120 Q CA 0.189 55.961 55.803 -0.052 0.000 0.919 120 Q CB 1.415 30.135 28.738 -0.030 0.000 1.185 120 Q HN 1.081 nan 8.270 nan 0.000 0.408 121 G N 2.412 111.181 108.800 -0.052 0.000 2.547 121 G HA2 0.133 4.097 3.960 0.007 0.000 0.291 121 G HA3 0.133 4.097 3.960 0.007 0.000 0.291 121 G C -1.988 172.891 174.900 -0.035 0.000 1.471 121 G CA -0.720 44.364 45.100 -0.027 0.000 0.798 121 G HN 0.570 nan 8.290 nan 0.000 0.504 122 D N 1.302 121.718 120.400 0.028 0.000 2.347 122 D HA 0.232 4.876 4.640 0.007 0.000 0.235 122 D C 1.914 178.271 176.300 0.095 0.000 1.149 122 D CA -0.663 53.359 54.000 0.038 0.000 0.850 122 D CB 1.311 42.145 40.800 0.057 0.000 1.061 122 D HN 0.453 nan 8.370 nan 0.000 0.487 123 M N 2.082 121.683 119.600 0.001 0.000 2.446 123 M HA -0.112 4.372 4.480 0.007 0.000 0.263 123 M C 1.318 177.771 176.300 0.255 0.000 1.066 123 M CA 1.174 56.487 55.300 0.022 0.000 1.087 123 M CB -0.216 32.321 32.600 -0.105 0.000 1.406 123 M HN 0.203 nan 8.290 nan 0.000 0.459 124 S N 0.269 116.055 115.700 0.142 0.000 2.527 124 S HA 0.436 4.910 4.470 0.007 0.000 0.222 124 S C 0.858 175.507 174.600 0.082 0.000 0.985 124 S CA 0.033 58.284 58.200 0.085 0.000 0.921 124 S CB -0.001 63.213 63.200 0.024 0.000 0.772 124 S HN 0.640 nan 8.310 nan 0.000 0.529 125 A N 0.691 123.595 122.820 0.139 0.000 3.068 125 A HA 0.542 4.866 4.320 0.007 0.000 0.269 125 A C -0.634 177.019 177.584 0.114 0.000 1.259 125 A CA -0.919 51.152 52.037 0.058 0.000 0.938 125 A CB -0.518 18.504 19.000 0.036 0.000 1.433 125 A HN 0.704 nan 8.150 nan 0.000 0.664 126 F N -0.518 119.426 119.950 -0.011 0.000 2.593 126 F HA 0.969 5.500 4.527 0.006 0.000 0.320 126 F C -0.159 175.681 175.800 0.067 0.000 1.060 126 F CA -1.048 56.940 58.000 -0.021 0.000 0.940 126 F CB 1.907 40.843 39.000 -0.106 0.000 1.268 126 F HN 0.627 nan 8.300 nan 0.000 0.475 127 A N 3.712 126.654 122.820 0.203 0.000 2.429 127 A HA 0.725 5.049 4.320 0.007 0.000 0.289 127 A C -1.707 176.094 177.584 0.362 0.000 1.043 127 A CA -0.628 51.566 52.037 0.261 0.000 0.722 127 A CB 0.825 19.888 19.000 0.104 0.000 1.243 127 A HN 0.858 nan 8.150 nan 0.000 0.415 128 L N 0.838 122.428 121.223 0.611 0.000 2.303 128 L HA 0.518 4.862 4.340 0.007 0.000 0.266 128 L C -0.036 176.966 176.870 0.219 0.000 1.011 128 L CA -0.897 54.172 54.840 0.383 0.000 0.818 128 L CB 1.881 44.230 42.059 0.483 0.000 1.326 128 L HN 0.745 nan 8.230 nan 0.000 0.435 129 D N 1.579 122.056 120.400 0.128 0.000 3.060 129 D HA 0.190 4.834 4.640 0.007 0.000 0.245 129 D C -0.452 175.853 176.300 0.007 0.000 1.274 129 D CA 0.318 54.344 54.000 0.043 0.000 0.864 129 D CB 0.043 40.857 40.800 0.023 0.000 1.073 129 D HN 0.335 nan 8.370 nan 0.000 0.473 130 K N 0.074 120.487 120.400 0.023 0.000 2.578 130 K HA 0.395 4.719 4.320 0.007 0.000 0.269 130 K C -0.895 175.625 176.600 -0.133 0.000 0.941 130 K CA -0.752 55.455 56.287 -0.134 0.000 0.847 130 K CB 1.775 34.126 32.500 -0.248 0.000 1.397 130 K HN -0.058 nan 8.250 nan 0.000 0.422 131 R N 1.314 121.635 120.500 -0.298 0.000 2.856 131 R HA 0.607 4.951 4.340 0.007 0.000 0.258 131 R C -0.975 175.063 176.300 -0.438 0.000 1.066 131 R CA -0.717 55.292 56.100 -0.151 0.000 1.045 131 R CB 1.075 31.331 30.300 -0.073 0.000 1.178 131 R HN 0.325 nan 8.270 nan 0.000 0.499 132 F N -1.995 117.982 119.950 0.046 0.000 2.599 132 F HA 0.321 4.853 4.527 0.007 0.000 0.311 132 F C 1.149 176.948 175.800 -0.002 0.000 1.076 132 F CA -0.779 57.231 58.000 0.016 0.000 0.937 132 F CB 2.074 41.090 39.000 0.027 0.000 1.282 132 F HN 0.692 nan 8.300 nan 0.000 0.460 133 G N 0.085 108.965 108.800 0.132 0.000 2.511 133 G HA2 0.191 4.155 3.960 0.007 0.000 0.217 133 G HA3 0.191 4.155 3.960 0.007 0.000 0.217 133 G C 0.017 174.947 174.900 0.049 0.000 1.133 133 G CA 0.620 45.750 45.100 0.050 0.000 0.792 133 G HN 0.496 nan 8.290 nan 0.000 0.539 134 T N -0.421 114.166 114.554 0.055 0.000 2.952 134 T HA 0.531 4.885 4.350 0.007 0.000 0.305 134 T C -1.267 173.441 174.700 0.014 0.000 1.064 134 T CA -0.440 61.663 62.100 0.005 0.000 1.008 134 T CB 2.842 71.614 68.868 -0.160 0.000 1.078 134 T HN -0.090 nan 8.240 nan 0.000 0.459 135 V N 3.044 123.003 119.914 0.076 0.000 2.588 135 V HA 0.791 4.915 4.120 0.007 0.000 0.304 135 V C -0.280 175.935 176.094 0.202 0.000 1.042 135 V CA -0.864 61.462 62.300 0.045 0.000 0.877 135 V CB 1.781 33.606 31.823 0.004 0.000 0.996 135 V HN 0.863 nan 8.190 nan 0.000 0.425 136 V N 3.665 123.623 119.914 0.074 0.000 2.735 136 V HA 0.833 4.957 4.120 0.007 0.000 0.310 136 V C -0.876 175.270 176.094 0.087 0.000 1.061 136 V CA -0.653 61.684 62.300 0.063 0.000 0.913 136 V CB 1.936 33.575 31.823 -0.306 0.000 1.005 136 V HN 0.833 nan 8.190 nan 0.000 0.428 137 I N 3.524 124.194 120.570 0.167 0.000 2.722 137 I HA 0.704 4.878 4.170 0.007 0.000 0.295 137 I C 0.076 176.331 176.117 0.230 0.000 1.161 137 I CA -0.179 61.218 61.300 0.161 0.000 1.032 137 I CB 2.543 40.691 38.000 0.247 0.000 1.244 137 I HN 1.107 nan 8.210 nan 0.000 0.421 138 S N 3.573 119.382 115.700 0.183 0.000 2.713 138 S HA 0.275 4.749 4.470 0.007 0.000 0.283 138 S C 0.975 175.685 174.600 0.182 0.000 1.161 138 S CA 0.052 58.408 58.200 0.261 0.000 0.999 138 S CB 1.719 65.042 63.200 0.205 0.000 1.039 138 S HN 0.713 nan 8.310 nan 0.000 0.548 139 S N 1.343 117.146 115.700 0.172 0.000 2.359 139 S HA -0.068 4.406 4.470 0.007 0.000 0.224 139 S C 2.022 176.673 174.600 0.085 0.000 1.035 139 S CA 1.859 60.123 58.200 0.107 0.000 1.018 139 S CB -1.525 61.720 63.200 0.076 0.000 0.876 139 S HN 1.010 nan 8.310 nan 0.000 0.448 140 G N 0.045 108.895 108.800 0.084 0.000 2.450 140 G HA2 -0.143 3.820 3.960 0.007 0.000 0.220 140 G HA3 -0.143 3.820 3.960 0.007 0.000 0.220 140 G C 1.605 176.534 174.900 0.049 0.000 1.130 140 G CA 1.228 46.367 45.100 0.064 0.000 0.760 140 G HN 0.594 nan 8.290 nan 0.000 0.557 141 S N -0.027 115.708 115.700 0.058 0.000 2.356 141 S HA 0.063 4.537 4.470 0.007 0.000 0.219 141 S C 2.160 176.790 174.600 0.050 0.000 1.036 141 S CA 0.483 58.710 58.200 0.044 0.000 0.965 141 S CB -0.229 63.001 63.200 0.049 0.000 0.864 141 S HN 0.352 nan 8.310 nan 0.000 0.471 142 I N 2.423 123.037 120.570 0.074 0.000 2.361 142 I HA -0.194 3.980 4.170 0.007 0.000 0.251 142 I C 1.426 177.575 176.117 0.054 0.000 1.133 142 I CA 1.151 62.497 61.300 0.077 0.000 1.413 142 I CB -0.152 37.917 38.000 0.115 0.000 1.073 142 I HN 0.229 nan 8.210 nan 0.000 0.424 143 N N 0.956 119.686 118.700 0.051 0.000 2.512 143 N HA -0.134 4.610 4.740 0.007 0.000 0.183 143 N C 1.312 176.839 175.510 0.029 0.000 1.073 143 N CA 0.682 53.757 53.050 0.040 0.000 0.911 143 N CB -0.079 38.434 38.487 0.043 0.000 0.964 143 N HN 0.496 nan 8.380 nan 0.000 0.447 144 E N 0.405 120.618 120.200 0.022 0.000 2.347 144 E HA 0.009 4.363 4.350 0.007 0.000 0.196 144 E C 0.412 177.015 176.600 0.006 0.000 1.008 144 E CA 0.353 56.758 56.400 0.009 0.000 0.852 144 E CB 0.328 30.028 29.700 -0.000 0.000 0.783 144 E HN 0.374 nan 8.360 nan 0.000 0.505 145 L N 2.612 123.840 121.223 0.007 0.000 2.295 145 L HA 0.145 4.489 4.340 0.007 0.000 0.285 145 L C 0.361 177.228 176.870 -0.004 0.000 1.035 145 L CA -1.049 53.788 54.840 -0.005 0.000 0.806 145 L CB 1.177 43.224 42.059 -0.019 0.000 1.214 145 L HN -0.063 nan 8.230 nan 0.000 0.426 146 D N 0.863 121.259 120.400 -0.006 0.000 2.380 146 D HA -0.059 4.585 4.640 0.007 0.000 0.254 146 D C 0.813 177.108 176.300 -0.007 0.000 1.288 146 D CA -0.326 53.673 54.000 -0.001 0.000 1.008 146 D CB 0.674 41.475 40.800 0.001 0.000 1.099 146 D HN 0.621 nan 8.370 nan 0.000 0.537 147 E N -0.682 119.521 120.200 0.005 0.000 2.072 147 E HA -0.200 4.154 4.350 0.007 0.000 0.191 147 E C 1.985 178.584 176.600 -0.002 0.000 0.985 147 E CA 1.116 57.523 56.400 0.013 0.000 0.801 147 E CB -0.305 29.413 29.700 0.030 0.000 0.750 147 E HN 0.535 nan 8.360 nan 0.000 0.452 148 A N 1.246 124.064 122.820 -0.002 0.000 1.902 148 A HA -0.205 4.119 4.320 0.007 0.000 0.217 148 A C 1.808 179.374 177.584 -0.030 0.000 1.181 148 A CA 1.882 53.915 52.037 -0.006 0.000 0.623 148 A CB -0.480 18.520 19.000 0.001 0.000 0.818 148 A HN 0.265 nan 8.150 nan 0.000 0.443 149 D N -0.679 119.699 120.400 -0.038 0.000 2.178 149 D HA -0.072 4.572 4.640 0.007 0.000 0.202 149 D C 2.191 178.421 176.300 -0.117 0.000 0.974 149 D CA 0.790 54.760 54.000 -0.050 0.000 0.841 149 D CB -0.318 40.465 40.800 -0.028 0.000 0.953 149 D HN 0.424 nan 8.370 nan 0.000 0.478 150 R N 0.457 120.855 120.500 -0.170 0.000 2.081 150 R HA -0.009 4.335 4.340 0.007 0.000 0.235 150 R C 2.364 178.251 176.300 -0.687 0.000 1.131 150 R CA 0.855 56.705 56.100 -0.415 0.000 0.960 150 R CB -0.079 30.040 30.300 -0.301 0.000 0.856 150 R HN 0.162 nan 8.270 nan 0.000 0.436 151 R N -0.254 120.077 120.500 -0.282 0.000 2.091 151 R HA -0.117 4.227 4.340 0.007 0.000 0.238 151 R C 2.426 178.695 176.300 -0.051 0.000 1.136 151 R CA 1.445 57.500 56.100 -0.075 0.000 0.959 151 R CB -0.604 29.726 30.300 0.050 0.000 0.856 151 R HN 0.350 nan 8.270 nan 0.000 0.437 152 G N 1.520 110.280 108.800 -0.067 0.000 2.440 152 G HA2 -0.281 3.683 3.960 0.007 0.000 0.218 152 G HA3 -0.281 3.683 3.960 0.007 0.000 0.218 152 G C 1.380 176.262 174.900 -0.029 0.000 1.154 152 G CA 0.666 45.747 45.100 -0.032 0.000 0.767 152 G HN 0.238 nan 8.290 nan 0.000 0.552 153 L N -0.455 120.720 121.223 -0.080 0.000 2.012 153 L HA -0.105 4.239 4.340 0.007 0.000 0.210 153 L C 2.661 179.588 176.870 0.095 0.000 1.073 153 L CA 1.805 56.642 54.840 -0.005 0.000 0.748 153 L CB -0.671 41.348 42.059 -0.066 0.000 0.891 153 L HN 0.276 nan 8.230 nan 0.000 0.431 154 Y N 0.200 120.606 120.300 0.176 0.000 2.181 154 Y HA -0.095 4.459 4.550 0.006 0.000 0.288 154 Y C 2.658 178.699 175.900 0.235 0.000 1.146 154 Y CA 0.785 59.055 58.100 0.283 0.000 1.164 154 Y CB -1.680 37.000 38.460 0.366 0.000 0.982 154 Y HN 0.331 nan 8.280 nan 0.000 0.515 155 A N -0.350 122.623 122.820 0.255 0.000 1.877 155 A HA -0.179 4.145 4.320 0.007 0.000 0.216 155 A C 2.500 180.098 177.584 0.024 0.000 1.186 155 A CA 2.062 54.164 52.037 0.107 0.000 0.620 155 A CB -1.096 17.934 19.000 0.051 0.000 0.822 155 A HN 0.401 nan 8.150 nan 0.000 0.443 156 S N -0.362 115.308 115.700 -0.050 0.000 2.370 156 S HA -0.149 4.325 4.470 0.007 0.000 0.226 156 S C 1.907 176.436 174.600 -0.117 0.000 1.033 156 S CA 1.485 59.531 58.200 -0.257 0.000 1.011 156 S CB -0.572 62.246 63.200 -0.635 0.000 0.852 156 S HN 0.341 nan 8.310 nan 0.000 0.457 157 V N 2.340 122.256 119.914 0.003 0.000 2.261 157 V HA -0.213 3.911 4.120 0.007 0.000 0.246 157 V C 2.560 178.726 176.094 0.120 0.000 1.047 157 V CA 2.032 64.336 62.300 0.006 0.000 1.015 157 V CB -0.714 30.828 31.823 -0.469 0.000 0.642 157 V HN 0.443 nan 8.190 nan 0.000 0.446 158 R N 0.223 120.827 120.500 0.175 0.000 2.119 158 R HA -0.243 4.101 4.340 0.007 0.000 0.246 158 R C 2.060 178.363 176.300 0.004 0.000 1.146 158 R CA 2.073 58.200 56.100 0.045 0.000 0.962 158 R CB -0.253 29.971 30.300 -0.126 0.000 0.863 158 R HN 0.514 nan 8.270 nan 0.000 0.442 159 E N -0.381 119.812 120.200 -0.012 0.000 2.347 159 E HA -0.119 4.235 4.350 0.007 0.000 0.196 159 E C 0.882 177.354 176.600 -0.213 0.000 1.008 159 E CA 0.967 57.293 56.400 -0.123 0.000 0.852 159 E CB 0.003 29.588 29.700 -0.192 0.000 0.783 159 E HN 0.636 nan 8.360 nan 0.000 0.505 160 H N -0.879 118.206 119.070 0.025 0.000 2.594 160 H HA 0.284 4.844 4.556 0.007 0.000 0.279 160 H C 0.117 175.563 175.328 0.197 0.000 1.042 160 H CA -0.110 56.032 56.048 0.156 0.000 1.177 160 H CB 0.451 30.380 29.762 0.278 0.000 1.524 160 H HN -0.097 nan 8.280 nan 0.000 0.537 161 L N 1.572 122.906 121.223 0.186 0.000 2.292 161 L HA 0.202 4.546 4.340 0.007 0.000 0.284 161 L C 0.341 177.262 176.870 0.084 0.000 1.065 161 L CA -0.342 54.593 54.840 0.159 0.000 0.806 161 L CB 1.463 43.614 42.059 0.153 0.000 1.175 161 L HN 0.258 nan 8.230 nan 0.000 0.431 162 E N 3.987 124.231 120.200 0.074 0.000 2.392 162 E HA 0.149 4.503 4.350 0.007 0.000 0.259 162 E C -2.188 174.426 176.600 0.023 0.000 1.108 162 E CA -1.733 54.681 56.400 0.022 0.000 0.916 162 E CB 0.312 30.014 29.700 0.002 0.000 0.989 162 E HN 0.333 nan 8.360 nan 0.000 0.432 163 P HA -0.087 nan 4.420 nan 0.000 0.261 163 P C 0.454 177.763 177.300 0.015 0.000 1.173 163 P CA 1.145 64.247 63.100 0.004 0.000 0.760 163 P CB 0.239 31.934 31.700 -0.009 0.000 0.783 164 G N 2.138 110.953 108.800 0.025 0.000 2.189 164 G HA2 -0.206 3.758 3.960 0.007 0.000 0.267 164 G HA3 -0.206 3.758 3.960 0.007 0.000 0.267 164 G C 0.673 175.602 174.900 0.049 0.000 0.975 164 G CA -0.027 45.093 45.100 0.033 0.000 0.644 164 G HN 0.905 nan 8.290 nan 0.000 0.537 165 G N 0.013 108.852 108.800 0.064 0.000 2.527 165 G HA2 0.529 4.493 3.960 0.007 0.000 0.248 165 G HA3 0.529 4.493 3.960 0.007 0.000 0.248 165 G C 0.214 175.192 174.900 0.130 0.000 1.231 165 G CA 0.150 45.301 45.100 0.085 0.000 0.838 165 G HN 0.728 nan 8.290 nan 0.000 0.570 166 K N 0.155 120.631 120.400 0.127 0.000 2.203 166 K HA 0.509 4.833 4.320 0.007 0.000 0.251 166 K C -1.640 175.113 176.600 0.255 0.000 0.944 166 K CA -0.913 55.477 56.287 0.172 0.000 0.829 166 K CB 2.427 34.994 32.500 0.112 0.000 1.125 166 K HN 0.248 nan 8.250 nan 0.000 0.430 167 F N 3.691 123.680 119.950 0.064 0.000 2.388 167 F HA 0.392 4.923 4.527 0.007 0.000 0.358 167 F C -1.214 174.600 175.800 0.023 0.000 1.122 167 F CA -1.739 56.271 58.000 0.018 0.000 1.056 167 F CB 0.416 39.345 39.000 -0.119 0.000 1.155 167 F HN 0.409 nan 8.300 nan 0.000 0.461 168 L N 7.123 128.463 121.223 0.194 0.000 2.322 168 L HA 0.573 4.917 4.340 0.007 0.000 0.281 168 L C -1.184 175.765 176.870 0.132 0.000 1.014 168 L CA -0.933 53.980 54.840 0.122 0.000 0.815 168 L CB 1.817 44.101 42.059 0.376 0.000 1.247 168 L HN 0.439 nan 8.230 nan 0.000 0.421 169 L N 2.335 123.529 121.223 -0.049 0.000 2.381 169 L HA 0.599 4.943 4.340 0.007 0.000 0.268 169 L C 0.021 176.922 176.870 0.052 0.000 0.997 169 L CA -0.243 54.601 54.840 0.005 0.000 0.818 169 L CB 2.250 44.151 42.059 -0.264 0.000 1.310 169 L HN 0.623 nan 8.230 nan 0.000 0.416 170 S N 2.402 118.233 115.700 0.218 0.000 2.501 170 S HA 0.923 5.397 4.470 0.007 0.000 0.301 170 S C -0.811 173.850 174.600 0.101 0.000 1.096 170 S CA -0.725 57.557 58.200 0.137 0.000 1.063 170 S CB 1.173 64.538 63.200 0.276 0.000 1.042 170 S HN 0.499 nan 8.310 nan 0.000 0.494 171 L N 2.132 123.365 121.223 0.016 0.000 2.476 171 L HA 0.638 4.982 4.340 0.007 0.000 0.269 171 L C 0.175 177.003 176.870 -0.069 0.000 0.965 171 L CA -1.021 53.813 54.840 -0.011 0.000 0.845 171 L CB 1.869 43.915 42.059 -0.022 0.000 1.259 171 L HN 0.958 nan 8.230 nan 0.000 0.403 172 A N 4.322 127.111 122.820 -0.051 0.000 2.511 172 A HA 0.439 4.763 4.320 0.007 0.000 0.242 172 A C -0.211 177.328 177.584 -0.074 0.000 1.069 172 A CA 0.172 52.160 52.037 -0.081 0.000 0.763 172 A CB 0.396 19.372 19.000 -0.041 0.000 1.001 172 A HN 0.813 nan 8.150 nan 0.000 0.498 173 M N 4.103 123.644 119.600 -0.098 0.000 2.046 173 M HA 0.369 4.853 4.480 0.007 0.000 0.309 173 M C 0.310 176.574 176.300 -0.060 0.000 0.935 173 M CA -0.357 54.897 55.300 -0.076 0.000 0.915 173 M CB 1.042 33.585 32.600 -0.095 0.000 1.474 173 M HN 0.921 nan 8.290 nan 0.000 0.415 174 S N 3.093 118.770 115.700 -0.039 0.000 2.617 174 S HA 0.198 4.672 4.470 0.007 0.000 0.259 174 S C 0.637 175.221 174.600 -0.028 0.000 1.301 174 S CA -0.166 58.016 58.200 -0.029 0.000 0.984 174 S CB 0.744 63.934 63.200 -0.017 0.000 0.954 174 S HN 0.844 nan 8.310 nan 0.000 0.572 175 E N 0.943 121.129 120.200 -0.022 0.000 2.051 175 E HA -0.123 4.231 4.350 0.007 0.000 0.192 175 E C 2.406 178.999 176.600 -0.012 0.000 0.991 175 E CA 1.265 57.654 56.400 -0.018 0.000 0.799 175 E CB -0.561 29.130 29.700 -0.016 0.000 0.748 175 E HN 0.792 nan 8.360 nan 0.000 0.449 176 A N 1.560 124.376 122.820 -0.006 0.000 1.902 176 A HA -0.135 4.189 4.320 0.007 0.000 0.217 176 A C 2.404 179.988 177.584 0.001 0.000 1.181 176 A CA 1.729 53.767 52.037 0.001 0.000 0.623 176 A CB -0.658 18.347 19.000 0.008 0.000 0.818 176 A HN 0.295 nan 8.150 nan 0.000 0.443 177 A N -0.684 122.133 122.820 -0.005 0.000 1.969 177 A HA -0.148 4.176 4.320 0.007 0.000 0.218 177 A C 2.011 179.588 177.584 -0.012 0.000 1.169 177 A CA 1.722 53.754 52.037 -0.007 0.000 0.635 177 A CB -0.397 18.594 19.000 -0.014 0.000 0.810 177 A HN 0.684 nan 8.150 nan 0.000 0.445 178 E N 0.122 120.312 120.200 -0.017 0.000 2.122 178 E HA -0.000 4.354 4.350 0.007 0.000 0.190 178 E C 0.288 176.881 176.600 -0.012 0.000 0.977 178 E CA 0.311 56.699 56.400 -0.020 0.000 0.820 178 E CB 0.090 29.773 29.700 -0.028 0.000 0.770 178 E HN 0.504 nan 8.360 nan 0.000 0.462 179 S N 1.693 117.389 115.700 -0.007 0.000 2.573 179 S HA 0.010 4.484 4.470 0.007 0.000 0.277 179 S C -0.069 174.532 174.600 0.002 0.000 1.346 179 S CA -0.221 57.978 58.200 -0.003 0.000 1.034 179 S CB 0.842 64.042 63.200 -0.001 0.000 0.879 179 S HN 0.172 nan 8.310 nan 0.000 0.528 180 E N 2.721 122.923 120.200 0.003 0.000 2.299 180 E HA 0.144 4.498 4.350 0.007 0.000 0.272 180 E C -2.124 174.482 176.600 0.010 0.000 1.043 180 E CA -1.602 54.803 56.400 0.007 0.000 0.895 180 E CB 0.173 29.877 29.700 0.007 0.000 1.011 180 E HN 0.298 nan 8.360 nan 0.000 0.432 181 P HA -0.021 nan 4.420 nan 0.000 0.264 181 P C -0.191 177.115 177.300 0.010 0.000 1.183 181 P CA 0.172 63.286 63.100 0.023 0.000 0.763 181 P CB 0.393 32.117 31.700 0.040 0.000 0.807 182 L N 2.979 124.198 121.223 -0.006 0.000 2.477 182 L HA 0.081 4.425 4.340 0.007 0.000 0.272 182 L C 1.186 178.029 176.870 -0.044 0.000 1.157 182 L CA 0.326 55.149 54.840 -0.028 0.000 0.889 182 L CB -0.038 41.994 42.059 -0.045 0.000 1.158 182 L HN 0.377 nan 8.230 nan 0.000 0.473 183 E N 4.162 124.345 120.200 -0.029 0.000 2.277 183 E HA 0.366 4.720 4.350 0.007 0.000 0.274 183 E C -0.551 176.009 176.600 -0.068 0.000 1.022 183 E CA -0.695 55.686 56.400 -0.031 0.000 0.853 183 E CB 1.485 31.189 29.700 0.006 0.000 1.086 183 E HN 0.482 nan 8.360 nan 0.000 0.397 184 R N 1.610 122.058 120.500 -0.086 0.000 2.502 184 R HA 0.432 4.776 4.340 0.007 0.000 0.298 184 R C -0.849 175.375 176.300 -0.126 0.000 1.018 184 R CA -0.832 55.208 56.100 -0.100 0.000 0.899 184 R CB 1.344 31.587 30.300 -0.095 0.000 1.181 184 R HN 0.189 nan 8.270 nan 0.000 0.444 185 K N 2.211 122.509 120.400 -0.169 0.000 2.132 185 K HA 0.353 4.677 4.320 0.007 0.000 0.241 185 K C -0.366 176.152 176.600 -0.137 0.000 1.000 185 K CA -0.785 55.357 56.287 -0.242 0.000 0.911 185 K CB 1.408 33.696 32.500 -0.352 0.000 1.093 185 K HN 0.530 nan 8.250 nan 0.000 0.460 198 L N 4.023 125.268 121.223 0.036 0.000 2.318 198 L HA 0.732 5.076 4.340 0.007 0.000 0.277 198 L C -0.487 176.397 176.870 0.024 0.000 1.008 198 L CA 0.037 54.919 54.840 0.071 0.000 0.846 198 L CB 0.815 42.894 42.059 0.032 0.000 1.220 198 L HN 0.748 nan 8.230 nan 0.000 0.423 199 H N 3.473 122.548 119.070 0.008 0.000 2.668 199 H HA 0.527 5.087 4.556 0.007 0.000 0.303 199 H C -0.659 174.678 175.328 0.015 0.000 1.074 199 H CA -0.237 55.815 56.048 0.007 0.000 1.406 199 H CB 1.174 30.940 29.762 0.007 0.000 1.442 199 H HN 0.321 nan 8.280 nan 0.000 0.482 200 V N 5.278 125.239 119.914 0.080 0.000 2.443 200 V HA 0.434 4.558 4.120 0.007 0.000 0.293 200 V C 0.042 176.167 176.094 0.051 0.000 1.021 200 V CA -0.793 61.550 62.300 0.073 0.000 0.848 200 V CB 1.322 33.170 31.823 0.043 0.000 0.998 200 V HN 0.737 nan 8.190 nan 0.000 0.424 201 R N 2.405 122.969 120.500 0.106 0.000 2.711 201 R HA 0.629 4.973 4.340 0.007 0.000 0.284 201 R C -0.815 175.641 176.300 0.260 0.000 0.968 201 R CA -0.742 55.419 56.100 0.102 0.000 0.924 201 R CB 1.992 32.344 30.300 0.087 0.000 1.162 201 R HN 0.755 nan 8.270 nan 0.000 0.465 202 H N 2.609 121.689 119.070 0.016 0.000 2.551 202 H HA 0.318 4.875 4.556 0.001 0.000 0.321 202 H C -0.601 174.735 175.328 0.012 0.000 1.028 202 H CA -0.766 55.290 56.048 0.013 0.000 1.215 202 H CB 1.333 31.101 29.762 0.010 0.000 1.414 202 H HN 0.108 nan 8.280 nan 0.000 0.480 203 L N 5.437 126.725 121.223 0.108 0.000 2.295 203 L HA 0.375 4.719 4.340 0.007 0.000 0.285 203 L C -1.886 175.008 176.870 0.039 0.000 1.035 203 L CA -2.188 52.688 54.840 0.060 0.000 0.806 203 L CB 0.992 43.076 42.059 0.041 0.000 1.214 203 L HN 0.459 nan 8.230 nan 0.000 0.426 204 P HA 0.181 nan 4.420 nan 0.000 0.271 204 P C -0.196 177.113 177.300 0.015 0.000 1.216 204 P CA -0.212 62.901 63.100 0.022 0.000 0.776 204 P CB 2.014 33.724 31.700 0.018 0.000 0.881 205 A N 2.262 125.089 122.820 0.012 0.000 1.971 205 A HA 0.202 4.526 4.320 0.007 0.000 0.200 205 A C 0.501 178.094 177.584 0.016 0.000 1.658 205 A CA 0.357 52.402 52.037 0.014 0.000 0.962 205 A CB 0.122 19.129 19.000 0.011 0.000 1.053 205 A HN 0.621 nan 8.150 nan 0.000 0.533 206 E N 0.176 120.383 120.200 0.012 0.000 2.304 206 E HA 0.472 4.826 4.350 0.007 0.000 0.277 206 E C -1.535 175.070 176.600 0.009 0.000 0.898 206 E CA -0.349 56.058 56.400 0.013 0.000 0.764 206 E CB 1.579 31.288 29.700 0.014 0.000 1.216 206 E HN 0.456 nan 8.360 nan 0.000 0.419 207 E N 2.770 122.974 120.200 0.008 0.000 2.316 207 E HA 0.523 4.877 4.350 0.007 0.000 0.258 207 E C -0.578 176.024 176.600 0.004 0.000 0.952 207 E CA -0.979 55.424 56.400 0.006 0.000 0.818 207 E CB 2.023 31.726 29.700 0.005 0.000 1.260 207 E HN 0.395 nan 8.360 nan 0.000 0.416 208 I N 1.759 122.330 120.570 0.001 0.000 2.355 208 I HA 0.135 4.309 4.170 0.007 0.000 0.288 208 I C -0.351 175.765 176.117 -0.001 0.000 0.999 208 I CA -0.450 60.847 61.300 -0.004 0.000 1.163 208 I CB 1.540 39.533 38.000 -0.012 0.000 1.316 208 I HN 0.343 nan 8.210 nan 0.000 0.454 209 Q N 7.062 126.865 119.800 0.005 0.000 2.307 209 Q HA 0.167 4.511 4.340 0.007 0.000 0.259 209 Q C -0.504 175.503 176.000 0.011 0.000 0.998 209 Q CA -0.159 55.651 55.803 0.011 0.000 0.923 209 Q CB 0.956 29.710 28.738 0.027 0.000 1.196 209 Q HN 0.570 nan 8.270 nan 0.000 0.416 210 E N 5.789 125.991 120.200 0.003 0.000 2.145 210 E HA 0.369 4.723 4.350 0.007 0.000 0.270 210 E C -1.023 175.576 176.600 -0.002 0.000 0.906 210 E CA -0.709 55.693 56.400 0.003 0.000 0.761 210 E CB 0.879 30.579 29.700 0.001 0.000 1.116 210 E HN 0.723 nan 8.360 nan 0.000 0.408 211 I N 0.859 121.431 120.570 0.002 0.000 2.603 211 I HA 0.615 4.789 4.170 0.007 0.000 0.300 211 I C -0.913 175.178 176.117 -0.043 0.000 1.017 211 I CA -0.581 60.688 61.300 -0.051 0.000 1.098 211 I CB 2.428 40.355 38.000 -0.122 0.000 1.279 211 I HN 0.227 nan 8.210 nan 0.000 0.437 212 T N 6.624 121.137 114.554 -0.068 0.000 2.879 212 T HA 0.633 4.987 4.350 0.007 0.000 0.290 212 T C -0.436 174.221 174.700 -0.072 0.000 0.993 212 T CA -0.299 61.786 62.100 -0.024 0.000 0.975 212 T CB 1.323 70.209 68.868 0.031 0.000 0.981 212 T HN 0.454 nan 8.240 nan 0.000 0.439 213 I N 4.117 124.645 120.570 -0.070 0.000 2.498 213 I HA 0.568 4.742 4.170 0.007 0.000 0.290 213 I C -0.408 175.686 176.117 -0.038 0.000 1.032 213 I CA -0.973 60.243 61.300 -0.139 0.000 1.073 213 I CB 1.776 39.627 38.000 -0.248 0.000 1.251 213 I HN 0.840 nan 8.210 nan 0.000 0.426 214 H N 4.726 123.719 119.070 -0.128 0.000 3.008 214 H HA 0.672 5.232 4.556 0.006 0.000 0.354 214 H C -2.978 172.236 175.328 -0.190 0.000 1.252 214 H CA -2.077 53.831 56.048 -0.232 0.000 1.117 214 H CB 0.794 30.453 29.762 -0.172 0.000 1.857 214 H HN 0.253 nan 8.280 nan 0.000 0.547 215 P HA 0.126 nan 4.420 nan 0.000 0.271 215 P C 0.423 177.795 177.300 0.120 0.000 1.218 215 P CA -0.119 62.933 63.100 -0.079 0.000 0.780 215 P CB 1.112 32.771 31.700 -0.068 0.000 0.901 216 A N 2.001 124.855 122.820 0.057 0.000 2.121 216 A HA -0.090 4.234 4.320 0.007 0.000 0.218 216 A C 0.879 178.577 177.584 0.190 0.000 1.154 216 A CA 1.150 53.247 52.037 0.100 0.000 0.679 216 A CB -0.662 18.354 19.000 0.027 0.000 0.795 216 A HN 0.540 nan 8.150 nan 0.000 0.458 217 D N -1.616 118.912 120.400 0.212 0.000 2.376 217 D HA 0.258 4.902 4.640 0.007 0.000 0.281 217 D C 1.223 177.689 176.300 0.277 0.000 1.215 217 D CA -0.076 54.044 54.000 0.199 0.000 1.062 217 D CB 0.226 41.116 40.800 0.150 0.000 1.124 217 D HN 0.274 nan 8.370 nan 0.000 0.550 218 E N -1.352 118.933 120.200 0.142 0.000 2.489 218 E HA -0.010 4.344 4.350 0.007 0.000 0.208 218 E C 1.339 177.899 176.600 -0.067 0.000 0.814 218 E CA 0.213 56.559 56.400 -0.090 0.000 1.348 218 E CB 0.399 30.005 29.700 -0.157 0.000 1.334 218 E HN 0.482 nan 8.360 nan 0.000 0.672 219 T N -1.700 112.889 114.554 0.059 0.000 2.849 219 T HA -0.014 4.340 4.350 0.007 0.000 0.230 219 T C 1.342 176.138 174.700 0.159 0.000 1.071 219 T CA 2.118 64.260 62.100 0.071 0.000 1.559 219 T CB -0.449 68.448 68.868 0.048 0.000 1.141 219 T HN 0.112 nan 8.240 nan 0.000 0.417 220 T N 0.135 114.769 114.554 0.134 0.000 11.666 220 T HA -0.288 4.066 4.350 0.007 0.000 0.399 220 T C 0.715 175.469 174.700 0.090 0.000 1.591 220 T CA 2.588 64.766 62.100 0.130 0.000 2.578 220 T CB -1.983 67.008 68.868 0.204 0.000 2.705 220 T HN 1.028 nan 8.240 nan 0.000 0.852 221 D N -0.098 120.358 120.400 0.093 0.000 2.961 221 D HA -0.090 4.554 4.640 0.007 0.000 0.245 221 D C -2.506 173.838 176.300 0.073 0.000 0.744 221 D CA 1.246 55.284 54.000 0.064 0.000 1.901 221 D CB -1.639 39.187 40.800 0.043 0.000 1.291 221 D HN 0.593 nan 8.370 nan 0.000 0.648 222 P HA 0.431 nan 4.420 nan 0.000 0.304 222 P C -1.263 176.117 177.300 0.132 0.000 1.360 222 P CA -0.378 62.775 63.100 0.089 0.000 0.869 222 P CB 0.512 32.241 31.700 0.048 0.000 0.988 223 F N 5.019 124.983 119.950 0.023 0.000 2.377 223 F HA 0.289 4.819 4.527 0.006 0.000 0.360 223 F C 0.194 176.019 175.800 0.041 0.000 1.147 223 F CA -0.723 57.297 58.000 0.034 0.000 1.170 223 F CB 0.408 39.423 39.000 0.026 0.000 1.339 223 F HN 0.152 nan 8.300 nan 0.000 0.552 224 V N 5.650 125.413 119.914 -0.252 0.000 2.465 224 V HA 0.635 4.759 4.120 0.007 0.000 0.279 224 V C -0.875 175.075 176.094 -0.240 0.000 1.045 224 V CA -0.504 61.702 62.300 -0.157 0.000 0.938 224 V CB 1.212 32.987 31.823 -0.080 0.000 0.986 224 V HN 0.368 nan 8.190 nan 0.000 0.467 225 V N 5.603 125.475 119.914 -0.070 0.000 2.357 225 V HA 0.356 4.480 4.120 0.007 0.000 0.284 225 V C 0.148 176.268 176.094 0.043 0.000 1.018 225 V CA -0.328 61.972 62.300 -0.000 0.000 0.841 225 V CB 1.118 33.002 31.823 0.102 0.000 0.991 225 V HN 1.116 nan 8.190 nan 0.000 0.437 226 C N 4.528 123.857 119.300 0.048 0.000 2.330 226 C HA 0.762 5.226 4.460 0.007 0.000 0.344 226 C C 0.890 175.927 174.990 0.078 0.000 1.273 226 C CA -0.464 58.611 59.018 0.095 0.000 1.879 226 C CB 0.405 28.258 27.740 0.188 0.000 2.376 226 C HN 0.971 nan 8.230 nan 0.000 0.534 227 T N -0.045 114.581 114.554 0.120 0.000 2.924 227 T HA 0.761 5.115 4.350 0.007 0.000 0.291 227 T C -1.152 173.688 174.700 0.235 0.000 1.045 227 T CA -0.464 61.709 62.100 0.121 0.000 1.015 227 T CB 1.862 70.791 68.868 0.102 0.000 1.103 227 T HN 0.844 nan 8.240 nan 0.000 0.496 228 H N -0.545 118.573 119.070 0.080 0.000 3.094 228 H HA 0.540 5.100 4.556 0.008 0.000 0.346 228 H C -1.413 173.977 175.328 0.102 0.000 1.238 228 H CA -0.603 55.532 56.048 0.145 0.000 1.209 228 H CB 1.614 31.535 29.762 0.265 0.000 1.911 228 H HN 0.727 nan 8.280 nan 0.000 0.540 229 R N 3.067 123.272 120.500 -0.492 0.000 2.534 229 R HA 0.567 4.911 4.340 0.007 0.000 0.301 229 R C -0.634 175.413 176.300 -0.421 0.000 0.961 229 R CA -1.009 54.904 56.100 -0.312 0.000 0.871 229 R CB 2.148 32.348 30.300 -0.166 0.000 1.170 229 R HN 0.789 nan 8.270 nan 0.000 0.446 230 R N 1.166 121.584 120.500 -0.136 0.000 2.774 230 R HA 0.434 4.778 4.340 0.007 0.000 0.272 230 R C -0.936 175.365 176.300 0.002 0.000 1.000 230 R CA -1.097 54.983 56.100 -0.033 0.000 0.906 230 R CB 1.681 32.055 30.300 0.123 0.000 1.227 230 R HN 0.439 nan 8.270 nan 0.000 0.468 231 R N 1.428 121.935 120.500 0.012 0.000 2.590 231 R HA 0.197 4.541 4.340 0.007 0.000 0.274 231 R C -1.116 175.199 176.300 0.025 0.000 1.061 231 R CA -0.223 55.886 56.100 0.014 0.000 1.081 231 R CB 0.503 30.813 30.300 0.016 0.000 0.984 231 R HN 0.573 nan 8.270 nan 0.000 0.448 232 L N 6.076 127.310 121.223 0.019 0.000 2.529 232 L HA 0.333 4.677 4.340 0.007 0.000 0.260 232 L C -1.362 175.518 176.870 0.016 0.000 0.997 232 L CA -0.235 54.616 54.840 0.019 0.000 0.885 232 L CB 1.426 43.493 42.059 0.014 0.000 1.185 232 L HN 0.616 nan 8.230 nan 0.000 0.442 233 L N 3.697 124.934 121.223 0.022 0.000 2.426 233 L HA 0.556 4.900 4.340 0.007 0.000 0.271 233 L C 0.934 177.812 176.870 0.014 0.000 1.169 233 L CA -0.192 54.663 54.840 0.024 0.000 0.836 233 L CB 1.006 43.089 42.059 0.039 0.000 1.112 233 L HN 0.731 nan 8.230 nan 0.000 0.465 234 A N 4.363 127.190 122.820 0.013 0.000 2.488 234 A HA 0.285 4.609 4.320 0.007 0.000 0.249 234 A C -1.607 175.978 177.584 0.002 0.000 1.083 234 A CA -1.066 50.974 52.037 0.004 0.000 0.768 234 A CB 0.050 19.054 19.000 0.007 0.000 1.017 234 A HN 0.612 nan 8.150 nan 0.000 0.496 235 P HA -0.176 nan 4.420 nan 0.000 0.216 235 P C 0.568 177.858 177.300 -0.016 0.000 1.153 235 P CA 1.504 64.593 63.100 -0.019 0.000 0.858 235 P CB 0.163 31.843 31.700 -0.035 0.000 0.789 236 D N -1.171 119.223 120.400 -0.010 0.000 2.182 236 D HA -0.181 4.463 4.640 0.007 0.000 0.201 236 D C 2.015 178.317 176.300 0.003 0.000 0.986 236 D CA 1.058 55.054 54.000 -0.006 0.000 0.847 236 D CB -0.522 40.277 40.800 -0.001 0.000 0.942 236 D HN 0.189 nan 8.370 nan 0.000 0.467 237 Q N 0.645 120.452 119.800 0.012 0.000 2.079 237 Q HA -0.086 4.258 4.340 0.007 0.000 0.200 237 Q C 1.973 177.996 176.000 0.038 0.000 0.974 237 Q CA 1.168 56.987 55.803 0.027 0.000 0.840 237 Q CB -0.340 28.418 28.738 0.032 0.000 0.898 237 Q HN 0.111 nan 8.270 nan 0.000 0.430 238 V N -0.319 119.616 119.914 0.036 0.000 2.343 238 V HA -0.217 3.907 4.120 0.007 0.000 0.247 238 V C 2.312 178.387 176.094 -0.032 0.000 1.051 238 V CA 1.507 63.835 62.300 0.047 0.000 1.036 238 V CB -0.574 31.276 31.823 0.044 0.000 0.654 238 V HN 0.263 nan 8.190 nan 0.000 0.451 239 V N 0.011 119.899 119.914 -0.043 0.000 2.287 239 V HA -0.302 3.822 4.120 0.007 0.000 0.248 239 V C 2.619 178.688 176.094 -0.041 0.000 1.053 239 V CA 2.212 64.476 62.300 -0.061 0.000 1.027 239 V CB -0.797 31.001 31.823 -0.041 0.000 0.646 239 V HN 0.487 nan 8.190 nan 0.000 0.447 240 R N -0.225 120.268 120.500 -0.011 0.000 2.091 240 R HA -0.194 4.150 4.340 0.007 0.000 0.238 240 R C 2.312 178.619 176.300 0.012 0.000 1.136 240 R CA 1.849 57.953 56.100 0.007 0.000 0.959 240 R CB -0.354 29.958 30.300 0.020 0.000 0.856 240 R HN 0.641 nan 8.270 nan 0.000 0.437 241 E N 0.656 120.868 120.200 0.021 0.000 2.077 241 E HA -0.172 4.181 4.350 0.007 0.000 0.193 241 E C 2.125 178.657 176.600 -0.114 0.000 0.989 241 E CA 0.979 57.413 56.400 0.057 0.000 0.800 241 E CB -0.115 29.718 29.700 0.222 0.000 0.746 241 E HN 0.275 nan 8.360 nan 0.000 0.452 242 L N 0.526 121.567 121.223 -0.303 0.000 2.017 242 L HA -0.200 4.144 4.340 0.007 0.000 0.208 242 L C 2.511 179.391 176.870 0.017 0.000 1.073 242 L CA 0.828 55.468 54.840 -0.333 0.000 0.745 242 L CB -0.452 41.396 42.059 -0.352 0.000 0.894 242 L HN 0.042 nan 8.230 nan 0.000 0.432 243 V N -0.321 119.602 119.914 0.014 0.000 2.287 243 V HA -0.324 3.800 4.120 0.007 0.000 0.248 243 V C 2.661 178.785 176.094 0.051 0.000 1.053 243 V CA 1.845 64.176 62.300 0.052 0.000 1.027 243 V CB -0.647 31.194 31.823 0.029 0.000 0.646 243 V HN 0.422 nan 8.190 nan 0.000 0.447 244 R N -0.419 120.108 120.500 0.044 0.000 2.127 244 R HA -0.153 4.191 4.340 0.007 0.000 0.238 244 R C 2.378 178.723 176.300 0.075 0.000 1.134 244 R CA 1.668 57.802 56.100 0.057 0.000 0.975 244 R CB -0.266 30.076 30.300 0.069 0.000 0.865 244 R HN 0.426 nan 8.270 nan 0.000 0.447 245 S N -1.669 114.093 115.700 0.104 0.000 2.562 245 S HA 0.085 4.559 4.470 0.007 0.000 0.221 245 S C 0.928 175.559 174.600 0.053 0.000 0.975 245 S CA 0.838 59.127 58.200 0.148 0.000 0.918 245 S CB 0.697 64.065 63.200 0.281 0.000 0.772 245 S HN 0.722 nan 8.310 nan 0.000 0.531 246 G N 0.002 108.812 108.800 0.017 0.000 2.205 246 G HA2 -0.164 3.800 3.960 0.007 0.000 0.180 246 G HA3 -0.164 3.800 3.960 0.007 0.000 0.180 246 G C -0.016 174.785 174.900 -0.165 0.000 1.004 246 G CA -0.650 44.392 45.100 -0.097 0.000 0.670 246 G HN 0.376 nan 8.290 nan 0.000 0.496 247 F N 1.685 121.637 119.950 0.002 0.000 2.371 247 F HA 0.565 5.096 4.527 0.007 0.000 0.329 247 F C 0.332 176.134 175.800 0.002 0.000 1.107 247 F CA -0.423 57.586 58.000 0.016 0.000 1.137 247 F CB 0.913 39.930 39.000 0.028 0.000 1.214 247 F HN -0.139 nan 8.300 nan 0.000 0.536 248 D N 1.458 121.985 120.400 0.212 0.000 2.274 248 D HA 0.302 4.946 4.640 0.007 0.000 0.239 248 D C -0.711 175.663 176.300 0.124 0.000 1.104 248 D CA -0.117 53.958 54.000 0.126 0.000 0.840 248 D CB 1.607 42.456 40.800 0.081 0.000 1.100 248 D HN 0.044 nan 8.370 nan 0.000 0.477 249 V N 4.520 124.475 119.914 0.068 0.000 2.372 249 V HA 0.125 4.249 4.120 0.007 0.000 0.261 249 V C 1.540 177.646 176.094 0.018 0.000 1.055 249 V CA -0.276 62.038 62.300 0.023 0.000 0.930 249 V CB 0.444 32.258 31.823 -0.015 0.000 1.031 249 V HN 0.509 nan 8.190 nan 0.000 0.479 250 I N 1.864 122.446 120.570 0.020 0.000 3.968 250 I HA 0.725 4.899 4.170 0.007 0.000 0.328 250 I C 0.689 176.810 176.117 0.008 0.000 1.290 250 I CA 0.180 61.492 61.300 0.020 0.000 1.163 250 I CB 0.373 38.392 38.000 0.031 0.000 1.024 250 I HN 0.526 nan 8.210 nan 0.000 0.413 251 A N 1.115 123.933 122.820 -0.003 0.000 2.594 251 A HA 0.704 5.028 4.320 0.007 0.000 0.296 251 A C -1.464 176.108 177.584 -0.020 0.000 1.056 251 A CA -0.512 51.520 52.037 -0.008 0.000 0.693 251 A CB 1.323 20.320 19.000 -0.005 0.000 1.278 251 A HN 0.307 nan 8.150 nan 0.000 0.408 252 Q N 0.879 120.671 119.800 -0.014 0.000 2.295 252 Q HA 0.546 4.890 4.340 0.007 0.000 0.259 252 Q C -1.375 174.626 176.000 0.000 0.000 0.966 252 Q CA -0.425 55.369 55.803 -0.016 0.000 0.763 252 Q CB 2.441 31.167 28.738 -0.020 0.000 1.283 252 Q HN 0.634 nan 8.270 nan 0.000 0.445 253 T N 3.264 117.828 114.554 0.018 0.000 2.791 253 T HA 0.436 4.790 4.350 0.007 0.000 0.288 253 T C -2.546 172.213 174.700 0.098 0.000 0.999 253 T CA -1.701 60.426 62.100 0.046 0.000 0.952 253 T CB 1.139 70.031 68.868 0.040 0.000 0.938 253 T HN 0.205 nan 8.240 nan 0.000 0.444 254 P HA 0.483 nan 4.420 nan 0.000 0.271 254 P C -0.899 176.478 177.300 0.127 0.000 1.218 254 P CA -0.431 62.682 63.100 0.022 0.000 0.780 254 P CB 0.296 31.986 31.700 -0.017 0.000 0.901 255 F N -0.629 119.295 119.950 -0.043 0.000 2.686 255 F HA 0.800 5.332 4.527 0.008 0.000 0.311 255 F C -1.576 174.206 175.800 -0.028 0.000 1.128 255 F CA -1.825 56.153 58.000 -0.037 0.000 0.946 255 F CB 0.730 39.700 39.000 -0.050 0.000 1.336 255 F HN 0.321 nan 8.300 nan 0.000 0.457 256 A N 1.142 124.060 122.820 0.163 0.000 2.289 256 A HA 0.516 4.840 4.320 0.007 0.000 0.298 256 A C 0.868 178.555 177.584 0.172 0.000 1.208 256 A CA -0.013 52.053 52.037 0.049 0.000 0.845 256 A CB 0.452 19.484 19.000 0.052 0.000 1.125 256 A HN 1.257 nan 8.150 nan 0.000 0.517 257 S N 2.211 117.930 115.700 0.032 0.000 2.423 257 S HA -0.010 4.464 4.470 0.007 0.000 0.231 257 S C 1.118 175.790 174.600 0.121 0.000 1.014 257 S CA 1.032 59.308 58.200 0.126 0.000 0.965 257 S CB -0.104 63.110 63.200 0.023 0.000 0.785 257 S HN 1.298 nan 8.310 nan 0.000 0.495 258 G N -0.381 108.461 108.800 0.071 0.000 4.637 258 G HA2 0.512 4.476 3.960 0.007 0.000 0.308 258 G HA3 0.512 4.476 3.960 0.007 0.000 0.308 258 G C 0.984 175.916 174.900 0.053 0.000 1.377 258 G CA -0.129 45.002 45.100 0.051 0.000 1.176 258 G HN 0.866 nan 8.290 nan 0.000 0.601 259 G N -0.082 108.767 108.800 0.083 0.000 2.650 259 G HA2 -0.007 3.957 3.960 0.007 0.000 0.245 259 G HA3 -0.007 3.957 3.960 0.007 0.000 0.245 259 G C 0.688 175.621 174.900 0.055 0.000 1.044 259 G CA 1.068 46.208 45.100 0.067 0.000 0.669 259 G HN 1.845 nan 8.290 nan 0.000 0.548 260 A N -1.827 121.017 122.820 0.040 0.000 2.594 260 A HA 1.031 5.355 4.320 0.007 0.000 0.291 260 A C 0.865 178.459 177.584 0.016 0.000 1.105 260 A CA 1.070 53.122 52.037 0.026 0.000 0.694 260 A CB 1.027 20.037 19.000 0.017 0.000 1.291 260 A HN 2.415 nan 8.150 nan 0.000 0.410 261 G N -0.040 108.765 108.800 0.009 0.000 2.500 261 G HA2 0.109 4.073 3.960 0.007 0.000 0.209 261 G HA3 0.109 4.073 3.960 0.007 0.000 0.209 261 G C -0.071 174.826 174.900 -0.006 0.000 1.283 261 G CA -0.099 45.001 45.100 -0.001 0.000 0.960 261 G HN 1.131 nan 8.290 nan 0.000 0.528 262 R N 0.928 121.418 120.500 -0.016 0.000 2.570 262 R HA 0.237 4.581 4.340 0.007 0.000 0.277 262 R C 0.380 176.656 176.300 -0.039 0.000 1.039 262 R CA 0.105 56.190 56.100 -0.025 0.000 1.065 262 R CB 0.109 30.390 30.300 -0.031 0.000 0.964 262 R HN 0.440 nan 8.270 nan 0.000 0.428 263 K N 3.704 124.079 120.400 -0.042 0.000 2.351 263 K HA -0.030 4.294 4.320 0.007 0.000 0.287 263 K C -0.081 176.445 176.600 -0.123 0.000 1.068 263 K CA 0.168 56.410 56.287 -0.075 0.000 0.998 263 K CB 0.444 32.916 32.500 -0.048 0.000 0.968 263 K HN 0.586 nan 8.250 nan 0.000 0.464 264 D N 3.259 123.549 120.400 -0.182 0.000 2.462 264 D HA 0.091 4.735 4.640 0.007 0.000 0.221 264 D C 0.046 176.182 176.300 -0.273 0.000 1.173 264 D CA -0.164 53.729 54.000 -0.179 0.000 0.831 264 D CB 0.257 40.981 40.800 -0.125 0.000 1.001 264 D HN 0.312 nan 8.370 nan 0.000 0.499 265 M N 0.245 119.574 119.600 -0.451 0.000 2.465 265 M HA 0.418 4.902 4.480 0.007 0.000 0.284 265 M C -2.198 173.729 176.300 -0.621 0.000 1.212 265 M CA -0.687 54.226 55.300 -0.645 0.000 0.910 265 M CB 2.926 34.849 32.600 -1.129 0.000 1.725 265 M HN -0.242 nan 8.290 nan 0.000 0.477 266 V N 3.878 123.592 119.914 -0.334 0.000 2.540 266 V HA 0.512 4.636 4.120 0.007 0.000 0.302 266 V C -1.122 175.001 176.094 0.049 0.000 1.035 266 V CA -0.843 61.394 62.300 -0.104 0.000 0.873 266 V CB 1.998 33.779 31.823 -0.070 0.000 0.992 266 V HN 0.645 nan 8.190 nan 0.000 0.428 267 L N 6.133 127.454 121.223 0.164 0.000 2.255 267 L HA 0.539 4.883 4.340 0.007 0.000 0.289 267 L C -0.440 176.401 176.870 -0.048 0.000 1.046 267 L CA 0.127 54.985 54.840 0.031 0.000 0.816 267 L CB 1.426 43.440 42.059 -0.074 0.000 1.197 267 L HN 0.454 nan 8.230 nan 0.000 0.427 268 V N 5.377 125.237 119.914 -0.091 0.000 2.427 268 V HA 0.386 4.510 4.120 0.007 0.000 0.286 268 V C 0.029 176.047 176.094 -0.126 0.000 1.034 268 V CA -0.788 61.447 62.300 -0.108 0.000 0.893 268 V CB 1.924 33.661 31.823 -0.145 0.000 0.982 268 V HN 0.676 nan 8.190 nan 0.000 0.452 269 E N 2.921 123.070 120.200 -0.086 0.000 2.158 269 E HA 0.756 5.110 4.350 0.007 0.000 0.271 269 E C -0.561 176.012 176.600 -0.045 0.000 0.911 269 E CA -0.504 55.864 56.400 -0.053 0.000 0.767 269 E CB 2.128 31.822 29.700 -0.010 0.000 1.120 269 E HN 0.830 nan 8.360 nan 0.000 0.405 270 A N 2.282 125.085 122.820 -0.029 0.000 2.414 270 A HA 0.742 5.066 4.320 0.007 0.000 0.306 270 A C -0.676 177.046 177.584 0.229 0.000 1.054 270 A CA -0.719 51.345 52.037 0.045 0.000 0.724 270 A CB 1.280 20.184 19.000 -0.161 0.000 1.267 270 A HN 0.434 nan 8.150 nan 0.000 0.418 271 V N -0.553 119.546 119.914 0.309 0.000 3.102 271 V HA 0.756 4.880 4.120 0.007 0.000 0.312 271 V C -0.372 175.908 176.094 0.311 0.000 1.135 271 V CA -1.290 61.200 62.300 0.316 0.000 1.022 271 V CB 1.906 33.827 31.823 0.162 0.000 1.056 271 V HN 0.792 nan 8.190 nan 0.000 0.436 272 M N 3.115 122.812 119.600 0.161 0.000 2.217 272 M HA 0.507 4.991 4.480 0.007 0.000 0.354 272 M C -2.346 173.955 176.300 0.001 0.000 1.225 272 M CA -2.040 53.245 55.300 -0.024 0.000 1.137 272 M CB 0.193 32.734 32.600 -0.098 0.000 1.576 272 M HN 0.629 nan 8.290 nan 0.000 0.461 273 P HA 0.724 nan 4.420 nan 0.000 0.276 273 P C -0.151 177.137 177.300 -0.019 0.000 1.244 273 P CA -0.160 62.936 63.100 -0.007 0.000 0.801 273 P CB 1.069 32.763 31.700 -0.009 0.000 1.006 274 G N 0.000 108.794 108.800 -0.009 0.000 5.446 274 G HA2 0.000 3.964 3.960 0.007 0.000 0.244 274 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 274 G CA 0.000 45.092 45.100 -0.013 0.000 0.502 274 G HN 0.000 nan 8.290 nan 0.000 0.925