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 1bjq_1_C DATA FIRST_RESID 1 DATA SEQUENCE ANIQSFSFKN FNSPSFILQG DATVSSGKLQ LTKVKENGIP TPSSLGRAFY DATA SEQUENCE SSPIQIYDKS TGAVASWATS FTVKISAPXX ASFADGIAFA LVPVGSEPRR DATA SEQUENCE NGGYLGVFDS DVYNNSAQTV AVEFDTLSNS GWDPSMKHIG IDVNSIKSIA DATA SEQUENCE TVSWDLANGE NAEILITYNA ATSLLVASLV HPSRRTSYIL SERVDITNEL DATA SEQUENCE PEYVSVGFSA TTGLSEGYIE THDVLSWSFA SKLPD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.608 177.584 0.040 0.000 1.274 1 A CA 0.000 52.058 52.037 0.035 0.000 0.836 1 A CB 0.000 19.019 19.000 0.031 0.000 0.831 2 N N 0.548 119.277 118.700 0.049 0.000 2.399 2 N HA 0.730 5.472 4.740 0.004 0.000 0.295 2 N C -1.169 174.381 175.510 0.066 0.000 1.048 2 N CA -0.432 52.653 53.050 0.057 0.000 0.886 2 N CB 1.616 40.141 38.487 0.064 0.000 1.185 2 N HN 0.560 nan 8.380 nan 0.000 0.487 3 I N 1.624 122.233 120.570 0.066 0.000 2.647 3 I HA 0.297 4.470 4.170 0.004 0.000 0.295 3 I C -0.747 175.424 176.117 0.090 0.000 1.078 3 I CA -0.564 60.776 61.300 0.067 0.000 1.048 3 I CB 2.200 40.223 38.000 0.039 0.000 1.239 3 I HN 0.331 nan 8.210 nan 0.000 0.421 4 Q N 3.825 123.693 119.800 0.114 0.000 2.315 4 Q HA 0.679 5.022 4.340 0.004 0.000 0.273 4 Q C -1.315 174.761 176.000 0.128 0.000 1.053 4 Q CA -0.787 55.115 55.803 0.164 0.000 0.817 4 Q CB 2.988 31.877 28.738 0.252 0.000 1.326 4 Q HN 0.769 nan 8.270 nan 0.000 0.423 5 S N 1.199 116.957 115.700 0.097 0.000 2.567 5 S HA 0.854 5.327 4.470 0.004 0.000 0.270 5 S C -1.483 173.085 174.600 -0.055 0.000 1.152 5 S CA -0.736 57.421 58.200 -0.072 0.000 0.835 5 S CB 1.222 64.346 63.200 -0.126 0.000 1.115 5 S HN 0.608 nan 8.310 nan 0.000 0.459 6 F N -1.311 118.484 119.950 -0.259 0.000 2.713 6 F HA 0.897 5.426 4.527 0.005 0.000 0.311 6 F C -0.757 174.764 175.800 -0.465 0.000 1.141 6 F CA -0.522 57.208 58.000 -0.450 0.000 0.939 6 F CB 1.362 39.977 39.000 -0.642 0.000 1.325 6 F HN 0.893 nan 8.300 nan 0.000 0.453 7 S N 1.341 116.798 115.700 -0.405 0.000 2.652 7 S HA 0.718 5.191 4.470 0.004 0.000 0.273 7 S C -2.122 172.229 174.600 -0.416 0.000 1.172 7 S CA -0.403 57.630 58.200 -0.278 0.000 1.009 7 S CB 0.242 63.331 63.200 -0.185 0.000 1.094 7 S HN 0.599 nan 8.310 nan 0.000 0.471 8 F N 3.414 123.420 119.950 0.093 0.000 2.482 8 F HA 0.617 5.146 4.527 0.004 0.000 0.331 8 F C 0.925 176.656 175.800 -0.114 0.000 1.115 8 F CA -0.758 57.196 58.000 -0.076 0.000 0.955 8 F CB 2.156 40.991 39.000 -0.275 0.000 1.136 8 F HN 0.482 nan 8.300 nan 0.000 0.452 9 K N 0.983 121.429 120.400 0.076 0.000 2.373 9 K HA 0.185 4.508 4.320 0.004 0.000 0.200 9 K C -0.580 176.062 176.600 0.070 0.000 1.054 9 K CA -0.098 56.242 56.287 0.087 0.000 1.065 9 K CB 0.297 32.846 32.500 0.081 0.000 0.886 9 K HN 0.573 nan 8.250 nan 0.000 0.546 10 N N -0.591 118.105 118.700 -0.007 0.000 2.287 10 N HA 0.375 5.118 4.740 0.004 0.000 0.289 10 N C -1.625 173.844 175.510 -0.069 0.000 1.066 10 N CA -0.556 52.528 53.050 0.056 0.000 0.841 10 N CB 0.836 39.386 38.487 0.105 0.000 1.599 10 N HN -0.242 nan 8.380 nan 0.000 0.476 11 F N 1.285 121.326 119.950 0.152 0.000 2.458 11 F HA 0.580 5.110 4.527 0.004 0.000 0.330 11 F C 0.208 176.084 175.800 0.127 0.000 1.082 11 F CA -0.573 57.496 58.000 0.116 0.000 0.995 11 F CB 1.647 40.620 39.000 -0.045 0.000 1.170 11 F HN 0.297 nan 8.300 nan 0.000 0.478 12 N N -0.210 118.720 118.700 0.383 0.000 2.455 12 N HA 0.082 4.825 4.740 0.004 0.000 0.285 12 N C 0.207 175.906 175.510 0.315 0.000 1.080 12 N CA -0.146 53.057 53.050 0.255 0.000 0.932 12 N CB 2.148 40.730 38.487 0.159 0.000 1.610 12 N HN 0.561 nan 8.380 nan 0.000 0.493 13 S N 1.916 117.755 115.700 0.232 0.000 2.400 13 S HA -0.152 4.320 4.470 0.004 0.000 0.234 13 S C -0.980 173.698 174.600 0.130 0.000 1.049 13 S CA 1.258 59.588 58.200 0.216 0.000 1.039 13 S CB -1.203 62.065 63.200 0.113 0.000 0.856 13 S HN 0.465 nan 8.310 nan 0.000 0.465 14 P HA -0.092 nan 4.420 nan 0.000 0.217 14 P C 1.367 178.564 177.300 -0.171 0.000 1.158 14 P CA 1.838 64.909 63.100 -0.048 0.000 0.887 14 P CB -0.349 31.328 31.700 -0.037 0.000 0.792 15 S N -2.560 112.925 115.700 -0.358 0.000 2.593 15 S HA 0.127 4.600 4.470 0.004 0.000 0.217 15 S C 0.292 174.341 174.600 -0.918 0.000 0.966 15 S CA 0.219 58.015 58.200 -0.674 0.000 0.914 15 S CB -0.580 62.152 63.200 -0.781 0.000 0.776 15 S HN -0.004 nan 8.310 nan 0.000 0.523 16 F N 0.615 120.525 119.950 -0.068 0.000 2.538 16 F HA 0.575 5.104 4.527 0.004 0.000 0.325 16 F C -0.053 175.750 175.800 0.005 0.000 1.066 16 F CA -1.622 56.377 58.000 -0.003 0.000 0.946 16 F CB 0.933 39.964 39.000 0.051 0.000 1.199 16 F HN -0.130 nan 8.300 nan 0.000 0.473 17 I N 3.788 124.513 120.570 0.259 0.000 2.306 17 I HA 0.274 4.447 4.170 0.004 0.000 0.288 17 I C -0.883 175.350 176.117 0.193 0.000 1.036 17 I CA -0.229 61.178 61.300 0.179 0.000 1.221 17 I CB 0.568 38.678 38.000 0.183 0.000 1.385 17 I HN 0.286 nan 8.210 nan 0.000 0.472 18 L N 7.140 128.434 121.223 0.118 0.000 2.289 18 L HA 0.499 4.841 4.340 0.004 0.000 0.285 18 L C -0.242 176.659 176.870 0.052 0.000 1.049 18 L CA -0.516 54.360 54.840 0.060 0.000 0.804 18 L CB 1.070 43.148 42.059 0.031 0.000 1.195 18 L HN 0.567 nan 8.230 nan 0.000 0.428 19 Q N 1.264 121.086 119.800 0.036 0.000 2.413 19 Q HA 0.627 4.970 4.340 0.004 0.000 0.276 19 Q C 0.381 176.382 176.000 0.002 0.000 1.099 19 Q CA -0.256 55.569 55.803 0.036 0.000 0.814 19 Q CB 2.616 31.403 28.738 0.082 0.000 1.379 19 Q HN 0.820 nan 8.270 nan 0.000 0.436 20 G N 1.821 110.623 108.800 0.003 0.000 2.574 20 G HA2 -0.304 3.658 3.960 0.004 0.000 0.286 20 G HA3 -0.304 3.658 3.960 0.004 0.000 0.286 20 G C -0.135 174.758 174.900 -0.011 0.000 1.212 20 G CA 0.310 45.407 45.100 -0.005 0.000 0.979 20 G HN 0.770 nan 8.290 nan 0.000 0.557 21 D N 1.936 122.326 120.400 -0.016 0.000 2.328 21 D HA 0.399 5.041 4.640 0.004 0.000 0.226 21 D C 1.390 177.669 176.300 -0.036 0.000 1.066 21 D CA 0.837 54.827 54.000 -0.018 0.000 0.861 21 D CB -0.261 40.535 40.800 -0.007 0.000 0.912 21 D HN 0.886 nan 8.370 nan 0.000 0.521 22 A N 0.824 123.612 122.820 -0.053 0.000 2.524 22 A HA 0.314 4.637 4.320 0.004 0.000 0.250 22 A C 0.615 178.156 177.584 -0.072 0.000 1.078 22 A CA 0.440 52.425 52.037 -0.087 0.000 0.761 22 A CB 0.296 19.230 19.000 -0.110 0.000 1.012 22 A HN 0.077 nan 8.150 nan 0.000 0.500 23 T N 1.280 115.780 114.554 -0.091 0.000 2.883 23 T HA 0.532 4.885 4.350 0.004 0.000 0.301 23 T C -1.285 173.358 174.700 -0.094 0.000 1.158 23 T CA -0.408 61.652 62.100 -0.066 0.000 1.007 23 T CB 1.260 70.103 68.868 -0.041 0.000 1.186 23 T HN 0.671 nan 8.240 nan 0.000 0.499 24 V N 3.798 123.680 119.914 -0.052 0.000 2.384 24 V HA 0.774 4.897 4.120 0.004 0.000 0.287 24 V C -0.335 175.757 176.094 -0.004 0.000 1.020 24 V CA -0.538 61.737 62.300 -0.042 0.000 0.850 24 V CB 1.336 33.174 31.823 0.025 0.000 0.987 24 V HN 1.047 nan 8.190 nan 0.000 0.436 25 S N 2.295 117.991 115.700 -0.006 0.000 2.572 25 S HA 0.575 5.048 4.470 0.004 0.000 0.274 25 S C -0.056 174.561 174.600 0.029 0.000 1.150 25 S CA -0.165 58.043 58.200 0.012 0.000 0.944 25 S CB 1.825 65.023 63.200 -0.003 0.000 1.071 25 S HN 0.912 nan 8.310 nan 0.000 0.479 26 S N 1.519 117.245 115.700 0.043 0.000 3.587 26 S HA -0.117 4.355 4.470 0.004 0.000 0.337 26 S C 1.430 176.079 174.600 0.082 0.000 1.119 26 S CA 1.565 59.797 58.200 0.053 0.000 0.976 26 S CB -1.586 61.637 63.200 0.038 0.000 0.922 26 S HN 2.652 nan 8.310 nan 0.000 0.503 27 G N 0.265 109.131 108.800 0.111 0.000 2.205 27 G HA2 -0.345 3.617 3.960 0.004 0.000 0.261 27 G HA3 -0.345 3.617 3.960 0.004 0.000 0.261 27 G C -0.180 174.881 174.900 0.269 0.000 0.980 27 G CA 0.908 46.115 45.100 0.179 0.000 0.632 27 G HN 1.055 nan 8.290 nan 0.000 0.533 28 K N -0.535 119.949 120.400 0.141 0.000 2.238 28 K HA 0.839 5.161 4.320 0.004 0.000 0.239 28 K C -0.771 175.705 176.600 -0.207 0.000 0.987 28 K CA -1.366 54.949 56.287 0.047 0.000 0.857 28 K CB 2.378 34.882 32.500 0.006 0.000 1.154 28 K HN 0.351 nan 8.250 nan 0.000 0.439 29 L N 1.890 122.763 121.223 -0.583 0.000 2.255 29 L HA 0.201 4.544 4.340 0.004 0.000 0.289 29 L C -0.816 175.801 176.870 -0.422 0.000 1.046 29 L CA 0.148 54.589 54.840 -0.664 0.000 0.816 29 L CB 0.797 42.126 42.059 -1.217 0.000 1.197 29 L HN 0.578 nan 8.230 nan 0.000 0.427 30 Q N 5.664 125.304 119.800 -0.267 0.000 2.398 30 Q HA 0.247 4.589 4.340 0.004 0.000 0.251 30 Q C 0.713 176.618 176.000 -0.159 0.000 0.999 30 Q CA -0.300 55.399 55.803 -0.172 0.000 0.874 30 Q CB 1.604 30.281 28.738 -0.102 0.000 1.215 30 Q HN 0.785 nan 8.270 nan 0.000 0.470 31 L N 0.981 122.107 121.223 -0.162 0.000 2.156 31 L HA -0.057 4.286 4.340 0.004 0.000 0.208 31 L C 1.142 177.971 176.870 -0.068 0.000 1.095 31 L CA 1.016 55.766 54.840 -0.150 0.000 0.770 31 L CB -0.070 41.867 42.059 -0.203 0.000 0.914 31 L HN 0.575 nan 8.230 nan 0.000 0.439 32 T N -2.989 111.572 114.554 0.013 0.000 2.912 32 T HA 0.380 4.733 4.350 0.004 0.000 0.288 32 T C -0.378 174.341 174.700 0.032 0.000 1.030 32 T CA -1.007 61.124 62.100 0.053 0.000 1.020 32 T CB 2.394 71.373 68.868 0.184 0.000 1.056 32 T HN -0.146 nan 8.240 nan 0.000 0.480 33 K N 0.821 121.236 120.400 0.026 0.000 2.527 33 K HA 0.351 4.673 4.320 0.004 0.000 0.278 33 K C -1.165 175.443 176.600 0.013 0.000 0.981 33 K CA -0.022 56.273 56.287 0.014 0.000 1.009 33 K CB -0.025 32.485 32.500 0.016 0.000 0.895 33 K HN 0.521 nan 8.250 nan 0.000 0.493 34 V N 5.035 124.950 119.914 0.002 0.000 2.655 34 V HA 0.189 4.312 4.120 0.004 0.000 0.301 34 V C -0.599 175.492 176.094 -0.004 0.000 1.082 34 V CA -0.993 61.306 62.300 -0.003 0.000 0.899 34 V CB 1.880 33.697 31.823 -0.010 0.000 1.014 34 V HN 0.807 nan 8.190 nan 0.000 0.429 35 K N 2.390 122.787 120.400 -0.004 0.000 2.380 35 K HA 0.077 4.399 4.320 0.004 0.000 0.267 35 K C 1.099 177.696 176.600 -0.006 0.000 0.990 35 K CA -0.029 56.255 56.287 -0.004 0.000 0.946 35 K CB 1.030 33.527 32.500 -0.005 0.000 0.937 35 K HN 0.826 nan 8.250 nan 0.000 0.491 36 E N 1.383 121.580 120.200 -0.004 0.000 2.187 36 E HA -0.297 4.056 4.350 0.004 0.000 0.199 36 E C 1.155 177.752 176.600 -0.005 0.000 1.004 36 E CA 1.798 58.195 56.400 -0.004 0.000 0.813 36 E CB -0.370 29.328 29.700 -0.002 0.000 0.736 36 E HN 0.608 nan 8.360 nan 0.000 0.468 37 N N 0.484 119.180 118.700 -0.007 0.000 2.550 37 N HA -0.067 4.676 4.740 0.004 0.000 0.186 37 N C 1.326 176.830 175.510 -0.011 0.000 1.110 37 N CA 1.118 54.163 53.050 -0.009 0.000 0.912 37 N CB 0.331 38.812 38.487 -0.010 0.000 0.968 37 N HN 0.403 nan 8.380 nan 0.000 0.448 38 G N 0.838 109.631 108.800 -0.011 0.000 2.195 38 G HA2 -0.247 3.715 3.960 0.004 0.000 0.224 38 G HA3 -0.247 3.715 3.960 0.004 0.000 0.224 38 G C 0.096 174.985 174.900 -0.019 0.000 0.990 38 G CA 0.161 45.252 45.100 -0.014 0.000 0.639 38 G HN 0.630 nan 8.290 nan 0.000 0.514 39 I N -0.248 120.310 120.570 -0.020 0.000 2.428 39 I HA 0.706 4.879 4.170 0.004 0.000 0.289 39 I C -1.864 174.241 176.117 -0.021 0.000 1.019 39 I CA -2.663 58.621 61.300 -0.027 0.000 1.351 39 I CB 0.972 38.954 38.000 -0.030 0.000 1.412 39 I HN -0.137 nan 8.210 nan 0.000 0.513 40 P HA 0.098 nan 4.420 nan 0.000 0.271 40 P C -0.522 176.779 177.300 0.001 0.000 1.233 40 P CA -0.084 63.010 63.100 -0.011 0.000 0.795 40 P CB 0.431 32.119 31.700 -0.020 0.000 0.936 41 T N 1.234 115.800 114.554 0.020 0.000 2.876 41 T HA 0.542 4.895 4.350 0.004 0.000 0.289 41 T C -2.625 172.103 174.700 0.047 0.000 1.014 41 T CA -1.639 60.476 62.100 0.027 0.000 0.986 41 T CB 1.297 70.179 68.868 0.023 0.000 1.021 41 T HN 0.212 nan 8.240 nan 0.000 0.458 42 P HA 0.362 nan 4.420 nan 0.000 0.278 42 P C -0.141 177.199 177.300 0.066 0.000 1.258 42 P CA -0.271 62.871 63.100 0.070 0.000 0.811 42 P CB 0.540 32.282 31.700 0.071 0.000 1.063 43 S N -1.855 113.892 115.700 0.077 0.000 3.635 43 S HA -0.141 4.331 4.470 0.004 0.000 0.328 43 S C 0.422 175.058 174.600 0.059 0.000 1.135 43 S CA 0.995 59.236 58.200 0.068 0.000 0.942 43 S CB -1.620 61.613 63.200 0.054 0.000 0.930 43 S HN 0.701 nan 8.310 nan 0.000 0.512 44 S N 0.006 115.746 115.700 0.067 0.000 2.616 44 S HA 0.835 5.307 4.470 0.004 0.000 0.277 44 S C -0.477 174.151 174.600 0.046 0.000 1.234 44 S CA -0.527 57.705 58.200 0.054 0.000 1.028 44 S CB 1.185 64.422 63.200 0.062 0.000 0.988 44 S HN 0.518 nan 8.310 nan 0.000 0.522 45 L N 2.987 124.223 121.223 0.022 0.000 2.505 45 L HA 0.775 5.118 4.340 0.004 0.000 0.266 45 L C -0.544 176.314 176.870 -0.021 0.000 0.954 45 L CA -0.130 54.712 54.840 0.002 0.000 0.852 45 L CB 1.607 43.674 42.059 0.013 0.000 1.282 45 L HN 0.812 nan 8.230 nan 0.000 0.403 46 G N 4.246 113.013 108.800 -0.055 0.000 2.682 46 G HA2 0.723 4.686 3.960 0.004 0.000 0.300 46 G HA3 0.723 4.686 3.960 0.004 0.000 0.300 46 G C -1.794 173.033 174.900 -0.123 0.000 1.391 46 G CA -0.682 44.372 45.100 -0.077 0.000 0.990 46 G HN 0.538 nan 8.290 nan 0.000 0.501 47 R N -0.101 120.322 120.500 -0.129 0.000 2.771 47 R HA 0.836 5.179 4.340 0.004 0.000 0.274 47 R C -1.190 174.926 176.300 -0.307 0.000 0.987 47 R CA -1.028 54.925 56.100 -0.244 0.000 0.908 47 R CB 2.675 32.918 30.300 -0.095 0.000 1.213 47 R HN 0.875 nan 8.270 nan 0.000 0.468 48 A N 2.138 124.580 122.820 -0.630 0.000 2.488 48 A HA 0.743 5.066 4.320 0.004 0.000 0.295 48 A C -1.579 175.591 177.584 -0.689 0.000 1.045 48 A CA -0.607 51.175 52.037 -0.424 0.000 0.703 48 A CB 0.965 19.797 19.000 -0.280 0.000 1.271 48 A HN 0.531 nan 8.150 nan 0.000 0.400 49 F N 0.317 120.350 119.950 0.137 0.000 2.603 49 F HA 0.550 5.080 4.527 0.004 0.000 0.317 49 F C -0.228 175.810 175.800 0.396 0.000 1.066 49 F CA -0.813 57.310 58.000 0.206 0.000 0.941 49 F CB 1.298 40.323 39.000 0.042 0.000 1.291 49 F HN 0.622 nan 8.300 nan 0.000 0.472 50 Y N 1.306 121.863 120.300 0.427 0.000 2.511 50 Y HA 0.125 4.678 4.550 0.004 0.000 0.332 50 Y C 1.568 177.472 175.900 0.006 0.000 1.177 50 Y CA -0.392 57.748 58.100 0.067 0.000 1.422 50 Y CB 1.204 39.528 38.460 -0.227 0.000 1.271 50 Y HN 0.642 nan 8.280 nan 0.000 0.550 51 S N 1.400 116.766 115.700 -0.555 0.000 2.547 51 S HA -0.042 4.430 4.470 0.004 0.000 0.235 51 S C 0.710 175.049 174.600 -0.435 0.000 0.980 51 S CA 0.447 58.387 58.200 -0.433 0.000 0.941 51 S CB -0.273 62.662 63.200 -0.442 0.000 0.763 51 S HN 0.472 nan 8.310 nan 0.000 0.532 52 S N 2.590 117.936 115.700 -0.591 0.000 2.449 52 S HA 0.612 5.085 4.470 0.004 0.000 0.310 52 S C -2.965 171.634 174.600 -0.003 0.000 1.096 52 S CA -1.914 56.137 58.200 -0.249 0.000 1.095 52 S CB 0.802 63.876 63.200 -0.211 0.000 1.007 52 S HN 0.055 nan 8.310 nan 0.000 0.474 53 P HA 0.312 nan 4.420 nan 0.000 0.269 53 P C -1.023 176.365 177.300 0.147 0.000 1.215 53 P CA -0.241 62.896 63.100 0.062 0.000 0.780 53 P CB 0.334 32.060 31.700 0.043 0.000 0.898 54 I N 1.303 121.947 120.570 0.123 0.000 2.433 54 I HA 0.243 4.416 4.170 0.004 0.000 0.292 54 I C 0.344 176.477 176.117 0.028 0.000 1.001 54 I CA -0.387 60.983 61.300 0.117 0.000 1.119 54 I CB 1.773 39.819 38.000 0.076 0.000 1.289 54 I HN 0.250 nan 8.210 nan 0.000 0.438 55 Q N 5.403 125.175 119.800 -0.046 0.000 2.349 55 Q HA 0.271 4.614 4.340 0.004 0.000 0.254 55 Q C 0.341 176.233 176.000 -0.179 0.000 0.980 55 Q CA -0.346 55.231 55.803 -0.376 0.000 0.924 55 Q CB 0.786 29.243 28.738 -0.469 0.000 1.209 55 Q HN 0.571 nan 8.270 nan 0.000 0.445 56 I N 4.457 124.914 120.570 -0.188 0.000 2.500 56 I HA -0.062 4.110 4.170 0.004 0.000 0.252 56 I C 0.474 176.720 176.117 0.214 0.000 1.142 56 I CA 1.150 62.490 61.300 0.066 0.000 1.451 56 I CB -1.044 37.039 38.000 0.138 0.000 1.093 56 I HN 0.605 nan 8.210 nan 0.000 0.430 57 Y N -2.107 118.151 120.300 -0.070 0.000 2.750 57 Y HA 0.616 5.169 4.550 0.005 0.000 0.335 57 Y C -1.140 174.713 175.900 -0.078 0.000 1.252 57 Y CA -1.846 56.236 58.100 -0.029 0.000 1.064 57 Y CB 0.851 39.319 38.460 0.013 0.000 1.321 57 Y HN -0.103 nan 8.280 nan 0.000 0.451 58 D N 0.658 121.137 120.400 0.132 0.000 2.542 58 D HA 0.273 4.916 4.640 0.004 0.000 0.252 58 D C 0.432 176.823 176.300 0.152 0.000 1.222 58 D CA 0.242 54.262 54.000 0.033 0.000 0.895 58 D CB 2.194 43.009 40.800 0.024 0.000 1.207 58 D HN 0.985 nan 8.370 nan 0.000 0.558 59 K N 1.685 122.172 120.400 0.146 0.000 2.063 59 K HA -0.171 4.151 4.320 0.004 0.000 0.208 59 K C 1.878 178.539 176.600 0.101 0.000 1.048 59 K CA 2.274 58.660 56.287 0.166 0.000 0.928 59 K CB -1.048 31.538 32.500 0.142 0.000 0.713 59 K HN 0.562 nan 8.250 nan 0.000 0.442 60 S N 0.874 116.618 115.700 0.073 0.000 2.356 60 S HA -0.176 4.296 4.470 0.004 0.000 0.223 60 S C 2.407 177.039 174.600 0.054 0.000 1.032 60 S CA 1.925 60.159 58.200 0.056 0.000 1.005 60 S CB -0.780 62.447 63.200 0.046 0.000 0.867 60 S HN 0.840 nan 8.310 nan 0.000 0.449 61 T N -2.192 112.397 114.554 0.057 0.000 3.057 61 T HA 0.437 4.789 4.350 0.004 0.000 0.254 61 T C 1.617 176.353 174.700 0.060 0.000 1.094 61 T CA 0.760 62.892 62.100 0.052 0.000 1.088 61 T CB -0.323 68.574 68.868 0.049 0.000 0.934 61 T HN 1.047 nan 8.240 nan 0.000 0.497 62 G N 1.358 110.206 108.800 0.080 0.000 2.143 62 G HA2 -0.032 3.930 3.960 0.004 0.000 0.248 62 G HA3 -0.032 3.930 3.960 0.004 0.000 0.248 62 G C 0.220 175.172 174.900 0.087 0.000 0.991 62 G CA -0.018 45.130 45.100 0.081 0.000 0.689 62 G HN 1.203 nan 8.290 nan 0.000 0.522 63 A N -0.602 122.278 122.820 0.099 0.000 2.327 63 A HA 0.781 5.103 4.320 0.004 0.000 0.283 63 A C 0.201 177.877 177.584 0.153 0.000 1.127 63 A CA 0.064 52.163 52.037 0.102 0.000 0.810 63 A CB 1.454 20.504 19.000 0.083 0.000 1.066 63 A HN 1.178 nan 8.150 nan 0.000 0.492 64 V N 1.683 121.688 119.914 0.152 0.000 2.540 64 V HA 0.611 4.734 4.120 0.004 0.000 0.302 64 V C 0.671 176.899 176.094 0.224 0.000 1.035 64 V CA -0.450 61.978 62.300 0.214 0.000 0.873 64 V CB 1.309 33.248 31.823 0.193 0.000 0.992 64 V HN 1.217 nan 8.190 nan 0.000 0.428 65 A N 3.470 126.458 122.820 0.281 0.000 2.351 65 A HA 0.692 5.015 4.320 0.004 0.000 0.257 65 A C 0.349 178.164 177.584 0.385 0.000 1.087 65 A CA -0.084 52.133 52.037 0.300 0.000 0.798 65 A CB 0.506 19.698 19.000 0.321 0.000 1.033 65 A HN 0.741 nan 8.150 nan 0.000 0.488 66 S N 1.526 117.384 115.700 0.264 0.000 2.501 66 S HA 0.774 5.246 4.470 0.004 0.000 0.301 66 S C -0.774 173.938 174.600 0.186 0.000 1.096 66 S CA -0.443 57.832 58.200 0.125 0.000 1.063 66 S CB 0.613 63.811 63.200 -0.003 0.000 1.042 66 S HN 0.742 nan 8.310 nan 0.000 0.494 67 W N 0.477 121.824 121.300 0.078 0.000 2.988 67 W HA 0.834 5.497 4.660 0.005 0.000 0.355 67 W C -1.424 175.019 176.519 -0.126 0.000 1.233 67 W CA -1.282 56.002 57.345 -0.100 0.000 1.176 67 W CB 0.999 30.408 29.460 -0.086 0.000 1.477 67 W HN 0.778 nan 8.180 nan 0.000 0.582 68 A N 0.871 123.720 122.820 0.047 0.000 2.604 68 A HA 0.722 5.045 4.320 0.004 0.000 0.295 68 A C -1.524 176.032 177.584 -0.047 0.000 1.067 68 A CA -0.450 51.596 52.037 0.015 0.000 0.683 68 A CB 1.832 20.774 19.000 -0.097 0.000 1.281 68 A HN 0.732 nan 8.150 nan 0.000 0.407 69 T N 0.035 114.659 114.554 0.116 0.000 2.894 69 T HA 0.772 5.125 4.350 0.004 0.000 0.309 69 T C -1.073 173.750 174.700 0.206 0.000 1.208 69 T CA 0.339 62.562 62.100 0.204 0.000 1.016 69 T CB 1.324 70.407 68.868 0.359 0.000 1.192 69 T HN 2.160 nan 8.240 nan 0.000 0.491 70 S N 2.735 118.640 115.700 0.342 0.000 2.536 70 S HA 0.914 5.387 4.470 0.004 0.000 0.271 70 S C -1.264 173.640 174.600 0.507 0.000 1.134 70 S CA -0.819 57.508 58.200 0.213 0.000 0.897 70 S CB 1.312 64.554 63.200 0.069 0.000 1.094 70 S HN 0.956 nan 8.310 nan 0.000 0.473 71 F N -1.604 118.466 119.950 0.199 0.000 2.713 71 F HA 0.821 5.351 4.527 0.004 0.000 0.311 71 F C -1.006 174.819 175.800 0.041 0.000 1.141 71 F CA -0.917 57.214 58.000 0.218 0.000 0.939 71 F CB 1.169 40.316 39.000 0.246 0.000 1.325 71 F HN 0.471 nan 8.300 nan 0.000 0.453 72 T N 2.346 117.036 114.554 0.228 0.000 2.786 72 T HA 0.640 4.992 4.350 0.004 0.000 0.283 72 T C -0.657 174.085 174.700 0.070 0.000 0.992 72 T CA -0.606 61.533 62.100 0.064 0.000 0.954 72 T CB 1.237 70.154 68.868 0.081 0.000 0.934 72 T HN 0.850 nan 8.240 nan 0.000 0.440 73 V N 0.977 120.889 119.914 -0.004 0.000 2.919 73 V HA 0.781 4.903 4.120 0.004 0.000 0.316 73 V C -0.503 175.591 176.094 0.001 0.000 1.077 73 V CA -1.041 61.242 62.300 -0.027 0.000 0.977 73 V CB 2.105 33.899 31.823 -0.049 0.000 1.039 73 V HN 0.716 nan 8.190 nan 0.000 0.441 74 K N 2.801 123.204 120.400 0.006 0.000 2.578 74 K HA 0.614 4.937 4.320 0.004 0.000 0.250 74 K C -1.776 174.841 176.600 0.027 0.000 0.955 74 K CA -0.554 55.755 56.287 0.037 0.000 0.825 74 K CB 1.785 34.300 32.500 0.026 0.000 1.151 74 K HN 0.845 nan 8.250 nan 0.000 0.432 75 I N 2.383 122.991 120.570 0.063 0.000 2.378 75 I HA 0.260 4.433 4.170 0.004 0.000 0.291 75 I C -0.370 175.793 176.117 0.077 0.000 0.992 75 I CA -0.498 60.821 61.300 0.031 0.000 1.154 75 I CB 2.035 40.078 38.000 0.071 0.000 1.315 75 I HN 0.413 nan 8.210 nan 0.000 0.448 76 S N 4.270 120.003 115.700 0.055 0.000 2.536 76 S HA 0.834 5.307 4.470 0.004 0.000 0.287 76 S C -0.738 173.898 174.600 0.060 0.000 1.101 76 S CA -0.653 57.603 58.200 0.093 0.000 0.950 76 S CB 2.143 65.359 63.200 0.026 0.000 1.056 76 S HN 0.696 nan 8.310 nan 0.000 0.481 77 A N 3.276 126.102 122.820 0.009 0.000 2.371 77 A HA 0.882 5.205 4.320 0.004 0.000 0.311 77 A C -2.754 174.707 177.584 -0.205 0.000 1.068 77 A CA -1.752 50.157 52.037 -0.215 0.000 0.744 77 A CB 0.164 18.728 19.000 -0.727 0.000 1.239 77 A HN 0.555 nan 8.150 nan 0.000 0.435 82 S N -0.428 114.973 115.700 -0.499 0.000 2.536 82 S HA 0.763 5.236 4.470 0.004 0.000 0.298 82 S C -0.883 173.524 174.600 -0.320 0.000 1.083 82 S CA -0.378 57.527 58.200 -0.492 0.000 0.995 82 S CB 0.266 63.104 63.200 -0.602 0.000 1.058 82 S HN 0.553 nan 8.310 nan 0.000 0.488 83 F N 2.476 122.403 119.950 -0.039 0.000 2.529 83 F HA 0.500 5.030 4.527 0.004 0.000 0.365 83 F C 0.900 176.784 175.800 0.140 0.000 1.102 83 F CA 0.284 58.299 58.000 0.025 0.000 1.271 83 F CB 0.390 39.383 39.000 -0.012 0.000 1.120 83 F HN 0.636 nan 8.300 nan 0.000 0.579 84 A N 2.801 125.836 122.820 0.359 0.000 2.594 84 A HA 0.347 4.670 4.320 0.004 0.000 0.301 84 A C -0.302 177.463 177.584 0.302 0.000 1.022 84 A CA -0.708 51.514 52.037 0.309 0.000 0.738 84 A CB 0.876 20.073 19.000 0.327 0.000 1.263 84 A HN 0.639 nan 8.150 nan 0.000 0.409 85 D N 0.136 120.719 120.400 0.305 0.000 2.454 85 D HA 0.423 5.066 4.640 0.004 0.000 0.219 85 D C 0.805 177.252 176.300 0.245 0.000 1.081 85 D CA 1.735 55.877 54.000 0.237 0.000 0.867 85 D CB 1.328 42.237 40.800 0.181 0.000 1.054 85 D HN 1.593 nan 8.370 nan 0.000 0.500 86 G N 0.801 109.788 108.800 0.311 0.000 2.361 86 G HA2 0.111 4.073 3.960 0.004 0.000 0.331 86 G HA3 0.111 4.073 3.960 0.004 0.000 0.331 86 G C -1.827 173.135 174.900 0.104 0.000 1.324 86 G CA -0.605 44.678 45.100 0.305 0.000 0.984 86 G HN 0.113 nan 8.290 nan 0.000 0.586 87 I N 0.007 120.689 120.570 0.187 0.000 2.647 87 I HA 0.826 4.999 4.170 0.004 0.000 0.295 87 I C -0.120 176.167 176.117 0.283 0.000 1.078 87 I CA -0.904 60.448 61.300 0.087 0.000 1.048 87 I CB 1.872 39.927 38.000 0.092 0.000 1.239 87 I HN 1.529 nan 8.210 nan 0.000 0.421 88 A N 5.842 128.785 122.820 0.205 0.000 2.435 88 A HA 0.660 4.983 4.320 0.004 0.000 0.304 88 A C -1.684 176.063 177.584 0.272 0.000 1.064 88 A CA -0.446 51.759 52.037 0.280 0.000 0.727 88 A CB 1.259 20.349 19.000 0.150 0.000 1.284 88 A HN 0.641 nan 8.150 nan 0.000 0.415 89 F N 2.150 122.250 119.950 0.249 0.000 2.410 89 F HA 0.695 5.224 4.527 0.004 0.000 0.349 89 F C 0.159 175.982 175.800 0.039 0.000 1.117 89 F CA -0.322 57.703 58.000 0.042 0.000 1.104 89 F CB 0.958 40.098 39.000 0.233 0.000 1.122 89 F HN 0.819 nan 8.300 nan 0.000 0.483 90 A N 5.793 128.103 122.820 -0.850 0.000 2.469 90 A HA 0.820 5.142 4.320 0.004 0.000 0.299 90 A C -2.002 175.237 177.584 -0.576 0.000 1.098 90 A CA -0.756 50.972 52.037 -0.514 0.000 0.737 90 A CB 1.435 20.293 19.000 -0.236 0.000 1.312 90 A HN 0.711 nan 8.150 nan 0.000 0.414 91 L N 1.692 122.730 121.223 -0.309 0.000 2.353 91 L HA 0.523 4.866 4.340 0.004 0.000 0.270 91 L C 0.011 176.773 176.870 -0.180 0.000 1.003 91 L CA -0.315 54.377 54.840 -0.247 0.000 0.862 91 L CB 1.370 43.320 42.059 -0.182 0.000 1.221 91 L HN 0.679 nan 8.230 nan 0.000 0.430 92 V N 1.366 121.148 119.914 -0.221 0.000 2.994 92 V HA 0.809 4.932 4.120 0.004 0.000 0.318 92 V C -2.569 173.379 176.094 -0.244 0.000 1.085 92 V CA -2.779 59.373 62.300 -0.247 0.000 0.998 92 V CB 1.649 33.272 31.823 -0.334 0.000 1.063 92 V HN 0.381 nan 8.190 nan 0.000 0.447 93 P HA 0.203 nan 4.420 nan 0.000 0.269 93 P C 1.074 178.246 177.300 -0.214 0.000 1.209 93 P CA 0.003 63.008 63.100 -0.157 0.000 0.776 93 P CB 0.791 32.417 31.700 -0.124 0.000 0.876 94 V N 3.123 122.938 119.914 -0.166 0.000 2.252 94 V HA -0.259 3.863 4.120 0.004 0.000 0.249 94 V C 2.472 178.441 176.094 -0.208 0.000 1.056 94 V CA 2.831 65.018 62.300 -0.189 0.000 1.022 94 V CB -1.749 29.996 31.823 -0.131 0.000 0.641 94 V HN 0.856 nan 8.190 nan 0.000 0.445 95 G N -1.320 107.381 108.800 -0.164 0.000 2.448 95 G HA2 -0.170 3.792 3.960 0.004 0.000 0.218 95 G HA3 -0.170 3.792 3.960 0.004 0.000 0.218 95 G C 0.893 175.691 174.900 -0.170 0.000 1.135 95 G CA 0.725 45.736 45.100 -0.149 0.000 0.784 95 G HN 0.493 nan 8.290 nan 0.000 0.543 96 S N 0.274 115.855 115.700 -0.199 0.000 4.039 96 S HA -0.140 4.332 4.470 0.004 0.000 0.484 96 S C 0.200 174.698 174.600 -0.170 0.000 1.094 96 S CA 0.439 58.515 58.200 -0.207 0.000 0.867 96 S CB 0.068 63.091 63.200 -0.295 0.000 0.695 96 S HN 0.512 nan 8.310 nan 0.000 0.468 97 E N 4.716 124.847 120.200 -0.116 0.000 2.212 97 E HA 0.607 4.960 4.350 0.004 0.000 0.270 97 E C -2.375 174.190 176.600 -0.059 0.000 0.956 97 E CA -2.073 54.284 56.400 -0.072 0.000 0.825 97 E CB 0.848 30.512 29.700 -0.060 0.000 1.167 97 E HN 0.346 nan 8.360 nan 0.000 0.400 98 P HA 0.049 nan 4.420 nan 0.000 0.269 98 P C -0.486 176.787 177.300 -0.045 0.000 1.211 98 P CA 0.259 63.346 63.100 -0.021 0.000 0.781 98 P CB 0.615 32.314 31.700 -0.003 0.000 0.877 99 R N 0.751 121.220 120.500 -0.053 0.000 3.139 99 R HA 0.450 4.792 4.340 0.004 0.000 0.218 99 R C 0.366 176.643 176.300 -0.038 0.000 1.637 99 R CA -1.029 55.032 56.100 -0.064 0.000 0.971 99 R CB 0.402 30.646 30.300 -0.094 0.000 2.211 99 R HN 0.390 nan 8.270 nan 0.000 0.535 100 R N 1.920 122.383 120.500 -0.063 0.000 2.623 100 R HA -0.012 4.331 4.340 0.004 0.000 0.271 100 R C 0.477 176.847 176.300 0.117 0.000 1.043 100 R CA 0.275 56.353 56.100 -0.037 0.000 1.083 100 R CB -0.018 30.110 30.300 -0.286 0.000 0.974 100 R HN 0.712 nan 8.270 nan 0.000 0.436 101 N N 0.189 118.969 118.700 0.133 0.000 2.460 101 N HA 0.390 5.133 4.740 0.004 0.000 0.296 101 N C 0.767 176.419 175.510 0.236 0.000 1.319 101 N CA -0.568 52.574 53.050 0.154 0.000 0.945 101 N CB 0.181 38.727 38.487 0.099 0.000 1.096 101 N HN 0.470 nan 8.380 nan 0.000 0.538 102 G N -0.651 108.252 108.800 0.173 0.000 2.611 102 G HA2 -0.366 3.597 3.960 0.004 0.000 0.301 102 G HA3 -0.366 3.597 3.960 0.004 0.000 0.301 102 G C 0.824 175.826 174.900 0.171 0.000 1.233 102 G CA 0.364 45.565 45.100 0.169 0.000 0.993 102 G HN 0.996 nan 8.290 nan 0.000 0.553 103 G N -1.176 107.713 108.800 0.148 0.000 2.708 103 G HA2 0.196 4.158 3.960 0.004 0.000 0.210 103 G HA3 0.196 4.158 3.960 0.004 0.000 0.210 103 G C 1.178 176.093 174.900 0.024 0.000 1.141 103 G CA 1.522 46.702 45.100 0.134 0.000 0.788 103 G HN 0.586 nan 8.290 nan 0.000 0.531 104 Y N -0.499 119.916 120.300 0.192 0.000 2.482 104 Y HA 0.322 4.875 4.550 0.004 0.000 0.270 104 Y C 1.691 177.663 175.900 0.120 0.000 1.152 104 Y CA -0.564 57.603 58.100 0.112 0.000 1.292 104 Y CB 0.178 38.680 38.460 0.070 0.000 1.070 104 Y HN 0.027 nan 8.280 nan 0.000 0.528 105 L N -0.460 120.884 121.223 0.202 0.000 4.312 105 L HA -0.379 3.964 4.340 0.004 0.000 0.427 105 L C 1.494 178.404 176.870 0.066 0.000 1.149 105 L CA 0.844 55.756 54.840 0.120 0.000 0.978 105 L CB -2.055 40.078 42.059 0.123 0.000 1.963 105 L HN 0.485 nan 8.230 nan 0.000 0.970 106 G N -1.171 107.681 108.800 0.086 0.000 2.184 106 G HA2 -0.312 3.651 3.960 0.004 0.000 0.264 106 G HA3 -0.312 3.651 3.960 0.004 0.000 0.264 106 G C 0.538 175.407 174.900 -0.052 0.000 0.975 106 G CA 0.738 45.850 45.100 0.019 0.000 0.642 106 G HN 1.016 nan 8.290 nan 0.000 0.536 107 V N -4.362 115.490 119.914 -0.104 0.000 3.604 107 V HA 0.761 4.884 4.120 0.004 0.000 0.277 107 V C 0.655 176.345 176.094 -0.674 0.000 1.399 107 V CA 0.140 62.202 62.300 -0.397 0.000 1.034 107 V CB -0.283 31.209 31.823 -0.551 0.000 0.824 107 V HN 0.288 nan 8.190 nan 0.000 0.439 108 F N 0.079 120.040 119.950 0.018 0.000 2.640 108 F HA 0.718 5.248 4.527 0.005 0.000 0.324 108 F C 0.716 176.455 175.800 -0.101 0.000 1.077 108 F CA -0.925 57.065 58.000 -0.018 0.000 0.965 108 F CB 1.611 40.614 39.000 0.006 0.000 1.351 108 F HN -0.252 nan 8.300 nan 0.000 0.487 109 D N -0.778 119.648 120.400 0.043 0.000 2.479 109 D HA 0.131 4.773 4.640 0.004 0.000 0.221 109 D C 0.062 176.150 176.300 -0.352 0.000 1.104 109 D CA 0.727 54.568 54.000 -0.264 0.000 0.849 109 D CB 1.078 41.786 40.800 -0.153 0.000 1.072 109 D HN 0.363 nan 8.370 nan 0.000 0.502 110 S N 0.114 115.765 115.700 -0.082 0.000 2.643 110 S HA 0.201 4.674 4.470 0.004 0.000 0.270 110 S C -1.000 173.556 174.600 -0.073 0.000 1.166 110 S CA -0.638 57.560 58.200 -0.004 0.000 0.815 110 S CB 1.579 64.761 63.200 -0.030 0.000 1.139 110 S HN -0.083 nan 8.310 nan 0.000 0.472 111 D N 0.685 121.025 120.400 -0.100 0.000 2.342 111 D HA 0.173 4.815 4.640 0.004 0.000 0.221 111 D C 0.100 176.361 176.300 -0.064 0.000 1.101 111 D CA 0.030 53.908 54.000 -0.203 0.000 0.837 111 D CB 0.050 40.775 40.800 -0.125 0.000 0.938 111 D HN 0.272 nan 8.370 nan 0.000 0.508 112 V N 1.679 121.577 119.914 -0.026 0.000 2.427 112 V HA 0.142 4.265 4.120 0.004 0.000 0.286 112 V C -0.342 175.767 176.094 0.026 0.000 1.034 112 V CA -1.238 61.077 62.300 0.025 0.000 0.893 112 V CB 0.910 32.755 31.823 0.036 0.000 0.982 112 V HN 0.100 nan 8.190 nan 0.000 0.452 113 Y N 4.979 125.250 120.300 -0.048 0.000 2.805 113 Y HA 0.101 4.653 4.550 0.005 0.000 0.331 113 Y C 0.477 176.368 175.900 -0.015 0.000 1.241 113 Y CA 0.784 58.859 58.100 -0.042 0.000 1.546 113 Y CB 0.240 38.683 38.460 -0.028 0.000 1.248 113 Y HN 0.763 nan 8.280 nan 0.000 0.559 114 N N 5.199 123.513 118.700 -0.644 0.000 2.640 114 N HA 0.058 4.801 4.740 0.004 0.000 0.262 114 N C 0.128 175.271 175.510 -0.612 0.000 1.174 114 N CA -0.421 52.361 53.050 -0.447 0.000 0.791 114 N CB 0.224 38.596 38.487 -0.193 0.000 1.279 114 N HN 0.833 nan 8.380 nan 0.000 0.535 115 N N 1.317 119.598 118.700 -0.698 0.000 2.184 115 N HA -0.229 4.514 4.740 0.004 0.000 0.190 115 N C 1.328 176.740 175.510 -0.164 0.000 1.011 115 N CA 2.228 55.054 53.050 -0.374 0.000 0.867 115 N CB 0.163 38.634 38.487 -0.026 0.000 0.993 115 N HN 0.510 nan 8.380 nan 0.000 0.433 116 S N -1.331 114.294 115.700 -0.126 0.000 2.547 116 S HA 0.058 4.530 4.470 0.004 0.000 0.235 116 S C 1.776 176.335 174.600 -0.069 0.000 0.980 116 S CA 0.585 58.743 58.200 -0.070 0.000 0.941 116 S CB -0.382 62.786 63.200 -0.053 0.000 0.763 116 S HN 0.446 nan 8.310 nan 0.000 0.532 117 A N 0.741 123.510 122.820 -0.086 0.000 2.067 117 A HA 0.108 4.431 4.320 0.004 0.000 0.217 117 A C 1.186 178.743 177.584 -0.045 0.000 1.156 117 A CA 0.580 52.588 52.037 -0.049 0.000 0.683 117 A CB -0.457 18.553 19.000 0.017 0.000 0.808 117 A HN 0.517 nan 8.150 nan 0.000 0.455 118 Q N 0.116 119.896 119.800 -0.033 0.000 2.416 118 Q HA -0.154 4.188 4.340 0.004 0.000 0.319 118 Q C -0.819 175.170 176.000 -0.019 0.000 1.318 118 Q CA 1.450 57.247 55.803 -0.010 0.000 0.915 118 Q CB -2.455 26.273 28.738 -0.016 0.000 1.184 118 Q HN 0.575 nan 8.270 nan 0.000 0.444 119 T N -0.677 113.888 114.554 0.019 0.000 2.916 119 T HA 0.643 4.995 4.350 0.004 0.000 0.298 119 T C -0.354 174.431 174.700 0.141 0.000 1.031 119 T CA -0.513 61.575 62.100 -0.020 0.000 0.993 119 T CB 2.548 71.269 68.868 -0.245 0.000 1.045 119 T HN 0.031 nan 8.240 nan 0.000 0.454 120 V N 1.948 121.924 119.914 0.104 0.000 2.656 120 V HA 0.946 5.069 4.120 0.004 0.000 0.307 120 V C -0.417 175.783 176.094 0.177 0.000 1.051 120 V CA -0.616 61.806 62.300 0.204 0.000 0.893 120 V CB 1.691 33.620 31.823 0.176 0.000 0.999 120 V HN 1.160 nan 8.190 nan 0.000 0.426 121 A N 3.725 126.707 122.820 0.270 0.000 2.587 121 A HA 0.910 5.232 4.320 0.004 0.000 0.293 121 A C -1.578 176.158 177.584 0.253 0.000 1.087 121 A CA -0.576 51.599 52.037 0.230 0.000 0.692 121 A CB 2.232 21.358 19.000 0.211 0.000 1.291 121 A HN 0.649 nan 8.150 nan 0.000 0.407 122 V N 2.259 122.337 119.914 0.275 0.000 2.378 122 V HA 0.418 4.540 4.120 0.004 0.000 0.288 122 V C -0.216 175.874 176.094 -0.008 0.000 1.016 122 V CA -0.344 62.050 62.300 0.155 0.000 0.840 122 V CB 1.155 33.154 31.823 0.293 0.000 0.994 122 V HN 1.014 nan 8.190 nan 0.000 0.431 123 E N 4.124 124.193 120.200 -0.219 0.000 2.227 123 E HA 0.688 5.040 4.350 0.004 0.000 0.268 123 E C -1.505 174.611 176.600 -0.806 0.000 0.990 123 E CA -0.753 55.489 56.400 -0.265 0.000 0.856 123 E CB 1.737 31.413 29.700 -0.041 0.000 1.159 123 E HN 0.414 nan 8.360 nan 0.000 0.401 124 F N 1.068 121.027 119.950 0.015 0.000 2.564 124 F HA 0.206 4.736 4.527 0.005 0.000 0.361 124 F C -0.324 175.574 175.800 0.162 0.000 1.161 124 F CA -0.979 56.986 58.000 -0.059 0.000 1.198 124 F CB 1.002 39.886 39.000 -0.194 0.000 1.424 124 F HN 0.418 nan 8.300 nan 0.000 0.517 125 D N 1.635 122.057 120.400 0.037 0.000 2.338 125 D HA 0.065 4.708 4.640 0.004 0.000 0.255 125 D C 1.190 177.532 176.300 0.069 0.000 1.237 125 D CA 0.292 54.263 54.000 -0.048 0.000 0.883 125 D CB 1.249 41.729 40.800 -0.533 0.000 1.087 125 D HN 0.537 nan 8.370 nan 0.000 0.485 126 T N 1.190 115.834 114.554 0.151 0.000 3.086 126 T HA 0.221 4.574 4.350 0.004 0.000 0.250 126 T C 0.521 175.295 174.700 0.123 0.000 1.074 126 T CA -0.441 61.701 62.100 0.069 0.000 0.988 126 T CB 0.137 69.046 68.868 0.069 0.000 0.988 126 T HN 0.206 nan 8.240 nan 0.000 0.530 127 L N 0.783 122.096 121.223 0.150 0.000 2.476 127 L HA 0.632 4.974 4.340 0.004 0.000 0.269 127 L C -0.628 176.320 176.870 0.130 0.000 0.965 127 L CA -0.513 54.416 54.840 0.148 0.000 0.845 127 L CB 2.401 44.550 42.059 0.150 0.000 1.259 127 L HN -0.011 nan 8.230 nan 0.000 0.403 128 S N 3.350 119.107 115.700 0.094 0.000 2.455 128 S HA 0.372 4.845 4.470 0.004 0.000 0.278 128 S C -0.268 174.257 174.600 -0.126 0.000 1.216 128 S CA -0.252 57.967 58.200 0.032 0.000 1.055 128 S CB -0.353 62.852 63.200 0.008 0.000 0.939 128 S HN 0.717 nan 8.310 nan 0.000 0.494 129 N N 2.812 121.338 118.700 -0.291 0.000 2.439 129 N HA 0.167 4.910 4.740 0.004 0.000 0.249 129 N C 1.148 176.244 175.510 -0.689 0.000 1.003 129 N CA -0.403 52.281 53.050 -0.610 0.000 0.942 129 N CB 1.372 39.193 38.487 -1.109 0.000 1.115 129 N HN 0.528 nan 8.380 nan 0.000 0.505 130 S N 1.131 116.566 115.700 -0.442 0.000 2.389 130 S HA -0.260 4.213 4.470 0.004 0.000 0.231 130 S C 2.103 176.501 174.600 -0.338 0.000 1.052 130 S CA 1.386 59.398 58.200 -0.314 0.000 1.053 130 S CB -0.803 62.272 63.200 -0.208 0.000 0.886 130 S HN 0.721 nan 8.310 nan 0.000 0.456 131 G N 0.599 109.113 108.800 -0.477 0.000 2.462 131 G HA2 -0.069 3.894 3.960 0.004 0.000 0.220 131 G HA3 -0.069 3.894 3.960 0.004 0.000 0.220 131 G C 0.996 175.857 174.900 -0.066 0.000 1.121 131 G CA 0.987 45.929 45.100 -0.263 0.000 0.758 131 G HN 0.922 nan 8.290 nan 0.000 0.559 132 W N -1.575 119.705 121.300 -0.035 0.000 1.583 132 W HA 0.461 5.124 4.660 0.004 0.000 0.214 132 W C -0.945 175.544 176.519 -0.050 0.000 0.808 132 W CA -0.945 56.378 57.345 -0.037 0.000 0.964 132 W CB 0.261 29.698 29.460 -0.037 0.000 0.909 132 W HN -0.243 nan 8.180 nan 0.000 0.503 133 D N 2.810 123.091 120.400 -0.199 0.000 2.253 133 D HA 0.363 5.006 4.640 0.004 0.000 0.249 133 D C -1.983 174.210 176.300 -0.178 0.000 1.049 133 D CA -1.431 52.510 54.000 -0.098 0.000 0.929 133 D CB 1.305 42.043 40.800 -0.103 0.000 1.176 133 D HN -0.219 nan 8.370 nan 0.000 0.437 134 P HA 0.095 nan 4.420 nan 0.000 0.275 134 P C 0.811 178.005 177.300 -0.176 0.000 1.266 134 P CA -0.376 62.580 63.100 -0.241 0.000 0.793 134 P CB 0.592 32.101 31.700 -0.319 0.000 1.074 135 S N -0.597 115.046 115.700 -0.095 0.000 2.374 135 S HA -0.123 4.350 4.470 0.004 0.000 0.227 135 S C 1.120 175.714 174.600 -0.010 0.000 1.037 135 S CA 1.326 59.498 58.200 -0.047 0.000 1.024 135 S CB -0.604 62.581 63.200 -0.025 0.000 0.861 135 S HN 0.454 nan 8.310 nan 0.000 0.456 136 M N -0.696 118.915 119.600 0.019 0.000 2.655 136 M HA 0.549 5.032 4.480 0.004 0.000 0.271 136 M C -0.431 175.997 176.300 0.213 0.000 1.013 136 M CA -0.926 54.420 55.300 0.076 0.000 0.994 136 M CB 0.386 33.017 32.600 0.052 0.000 1.585 136 M HN -0.342 nan 8.290 nan 0.000 0.569 137 K N 1.819 122.300 120.400 0.134 0.000 2.401 137 K HA 0.187 4.510 4.320 0.004 0.000 0.278 137 K C -0.789 175.999 176.600 0.314 0.000 1.018 137 K CA 0.216 56.579 56.287 0.127 0.000 0.981 137 K CB 0.171 32.527 32.500 -0.239 0.000 0.933 137 K HN 0.649 nan 8.250 nan 0.000 0.477 138 H N 0.620 119.850 119.070 0.266 0.000 2.966 138 H HA 0.454 5.013 4.556 0.005 0.000 0.330 138 H C -0.941 174.522 175.328 0.225 0.000 1.292 138 H CA -1.049 55.155 56.048 0.260 0.000 1.127 138 H CB 0.754 30.596 29.762 0.133 0.000 1.863 138 H HN 0.328 nan 8.280 nan 0.000 0.543 139 I N 0.626 121.243 120.570 0.078 0.000 2.404 139 I HA 0.593 4.766 4.170 0.004 0.000 0.293 139 I C 0.303 176.376 176.117 -0.074 0.000 0.992 139 I CA -0.463 60.696 61.300 -0.235 0.000 1.149 139 I CB 2.006 39.838 38.000 -0.279 0.000 1.315 139 I HN 0.807 nan 8.210 nan 0.000 0.446 140 G N 5.880 114.593 108.800 -0.146 0.000 2.660 140 G HA2 0.731 4.693 3.960 0.004 0.000 0.294 140 G HA3 0.731 4.693 3.960 0.004 0.000 0.294 140 G C -1.292 173.597 174.900 -0.019 0.000 1.369 140 G CA -0.541 44.564 45.100 0.009 0.000 0.912 140 G HN 0.437 nan 8.290 nan 0.000 0.479 141 I N 1.697 122.290 120.570 0.039 0.000 2.330 141 I HA 0.244 4.417 4.170 0.004 0.000 0.289 141 I C -0.968 175.195 176.117 0.076 0.000 1.001 141 I CA -0.697 60.647 61.300 0.075 0.000 1.193 141 I CB 1.592 39.647 38.000 0.090 0.000 1.345 141 I HN 0.207 nan 8.210 nan 0.000 0.461 142 D N 6.816 127.276 120.400 0.100 0.000 2.233 142 D HA 0.329 4.972 4.640 0.004 0.000 0.240 142 D C -0.417 175.954 176.300 0.118 0.000 1.074 142 D CA -0.206 53.817 54.000 0.037 0.000 0.838 142 D CB 2.538 43.343 40.800 0.007 0.000 1.124 142 D HN 0.048 nan 8.370 nan 0.000 0.475 143 V N 3.843 123.792 119.914 0.058 0.000 2.289 143 V HA 0.201 4.324 4.120 0.004 0.000 0.272 143 V C 0.235 176.421 176.094 0.153 0.000 1.026 143 V CA -0.801 61.596 62.300 0.161 0.000 0.807 143 V CB 0.029 31.960 31.823 0.180 0.000 1.044 143 V HN 0.562 nan 8.190 nan 0.000 0.443 144 N N 1.873 120.676 118.700 0.171 0.000 2.776 144 N HA -0.169 4.574 4.740 0.004 0.000 0.249 144 N C -0.055 175.322 175.510 -0.221 0.000 1.111 144 N CA 1.497 54.589 53.050 0.071 0.000 0.711 144 N CB -0.699 37.647 38.487 -0.234 0.000 1.065 144 N HN 0.946 nan 8.380 nan 0.000 0.556 145 S N -1.036 114.213 115.700 -0.751 0.000 2.608 145 S HA 0.359 4.832 4.470 0.004 0.000 0.285 145 S C 0.213 174.074 174.600 -1.231 0.000 1.108 145 S CA -0.681 57.053 58.200 -0.776 0.000 0.858 145 S CB 0.570 63.603 63.200 -0.279 0.000 1.077 145 S HN 0.010 nan 8.310 nan 0.000 0.450 146 I N 2.610 122.607 120.570 -0.956 0.000 3.176 146 I HA 0.288 4.461 4.170 0.004 0.000 0.275 146 I C 0.955 176.719 176.117 -0.588 0.000 1.298 146 I CA 0.866 61.694 61.300 -0.786 0.000 1.445 146 I CB -0.255 37.268 38.000 -0.795 0.000 1.075 146 I HN 0.590 nan 8.210 nan 0.000 0.482 147 K N 1.601 121.740 120.400 -0.436 0.000 2.219 147 K HA 0.199 4.522 4.320 0.004 0.000 0.280 147 K C -0.132 176.423 176.600 -0.076 0.000 1.104 147 K CA -0.178 56.025 56.287 -0.140 0.000 0.925 147 K CB 0.322 32.799 32.500 -0.039 0.000 1.261 147 K HN 0.155 nan 8.250 nan 0.000 0.445 148 S N 3.767 119.465 115.700 -0.004 0.000 2.561 148 S HA -0.070 4.403 4.470 0.004 0.000 0.294 148 S C 1.531 176.145 174.600 0.023 0.000 1.294 148 S CA -0.221 57.991 58.200 0.021 0.000 1.055 148 S CB 0.201 63.454 63.200 0.088 0.000 0.819 148 S HN 0.695 nan 8.310 nan 0.000 0.503 149 I N -0.929 119.655 120.570 0.024 0.000 3.428 149 I HA 0.489 4.662 4.170 0.004 0.000 0.286 149 I C 0.593 176.728 176.117 0.030 0.000 1.287 149 I CA 0.019 61.333 61.300 0.023 0.000 1.396 149 I CB -0.310 37.705 38.000 0.025 0.000 1.062 149 I HN 0.544 nan 8.210 nan 0.000 0.471 150 A N 0.660 123.505 122.820 0.041 0.000 2.583 150 A HA 0.675 4.998 4.320 0.004 0.000 0.298 150 A C -0.234 177.387 177.584 0.060 0.000 1.055 150 A CA 0.029 52.092 52.037 0.044 0.000 0.714 150 A CB 0.664 19.690 19.000 0.042 0.000 1.277 150 A HN 0.320 nan 8.150 nan 0.000 0.406 151 T N -1.921 112.671 114.554 0.064 0.000 2.812 151 T HA 0.855 5.208 4.350 0.004 0.000 0.294 151 T C -1.223 173.535 174.700 0.097 0.000 1.159 151 T CA -0.667 61.493 62.100 0.100 0.000 1.008 151 T CB 1.435 70.372 68.868 0.115 0.000 1.289 151 T HN 1.984 nan 8.240 nan 0.000 0.514 152 V N 0.423 120.420 119.914 0.139 0.000 2.969 152 V HA 0.573 4.695 4.120 0.004 0.000 0.304 152 V C -0.369 175.849 176.094 0.205 0.000 1.192 152 V CA -0.668 61.722 62.300 0.151 0.000 0.962 152 V CB 2.563 34.474 31.823 0.147 0.000 1.045 152 V HN 1.223 nan 8.190 nan 0.000 0.428 153 S N 4.348 120.170 115.700 0.204 0.000 2.572 153 S HA 0.341 4.813 4.470 0.004 0.000 0.279 153 S C -1.099 173.645 174.600 0.239 0.000 1.341 153 S CA 0.131 58.462 58.200 0.218 0.000 1.043 153 S CB 0.457 63.765 63.200 0.180 0.000 0.887 153 S HN 0.763 nan 8.310 nan 0.000 0.516 154 W N 3.141 124.383 121.300 -0.097 0.000 2.900 154 W HA 0.380 5.042 4.660 0.004 0.000 0.336 154 W C -1.680 174.699 176.519 -0.234 0.000 1.064 154 W CA -1.033 56.046 57.345 -0.443 0.000 1.237 154 W CB 0.967 30.180 29.460 -0.413 0.000 1.391 154 W HN 0.460 nan 8.180 nan 0.000 0.468 155 D N 6.231 126.479 120.400 -0.253 0.000 2.479 155 D HA 0.098 4.741 4.640 0.004 0.000 0.218 155 D C -0.497 175.504 176.300 -0.499 0.000 1.131 155 D CA -0.360 53.493 54.000 -0.245 0.000 0.916 155 D CB 0.560 41.431 40.800 0.118 0.000 1.022 155 D HN 0.485 nan 8.370 nan 0.000 0.515 156 L N 3.058 123.641 121.223 -1.066 0.000 2.534 156 L HA 0.232 4.575 4.340 0.004 0.000 0.271 156 L C -0.326 176.241 176.870 -0.506 0.000 1.178 156 L CA -0.354 53.920 54.840 -0.942 0.000 0.907 156 L CB 0.502 41.733 42.059 -1.380 0.000 1.164 156 L HN 0.295 nan 8.230 nan 0.000 0.482 157 A N 4.790 127.303 122.820 -0.512 0.000 2.506 157 A HA 0.284 4.607 4.320 0.004 0.000 0.320 157 A C 0.217 177.680 177.584 -0.202 0.000 1.424 157 A CA -0.574 51.207 52.037 -0.427 0.000 1.044 157 A CB -0.738 17.847 19.000 -0.693 0.000 1.140 157 A HN 0.848 nan 8.150 nan 0.000 0.538 158 N N 2.070 120.723 118.700 -0.079 0.000 2.359 158 N HA 0.235 4.977 4.740 0.004 0.000 0.261 158 N C 1.413 176.956 175.510 0.056 0.000 1.267 158 N CA 1.949 55.048 53.050 0.082 0.000 0.864 158 N CB 0.256 38.895 38.487 0.253 0.000 1.063 158 N HN 1.193 nan 8.380 nan 0.000 0.474 159 G N 1.978 110.823 108.800 0.076 0.000 2.189 159 G HA2 -0.297 3.666 3.960 0.004 0.000 0.267 159 G HA3 -0.297 3.666 3.960 0.004 0.000 0.267 159 G C 0.019 174.952 174.900 0.055 0.000 0.975 159 G CA 0.564 45.697 45.100 0.056 0.000 0.644 159 G HN 0.634 nan 8.290 nan 0.000 0.537 160 E N 0.308 120.546 120.200 0.062 0.000 2.204 160 E HA 0.433 4.786 4.350 0.004 0.000 0.276 160 E C 0.383 177.095 176.600 0.186 0.000 0.974 160 E CA -0.726 55.730 56.400 0.094 0.000 0.815 160 E CB 0.633 30.364 29.700 0.051 0.000 1.119 160 E HN 0.438 nan 8.360 nan 0.000 0.393 161 N N 0.785 119.579 118.700 0.157 0.000 2.412 161 N HA 0.147 4.890 4.740 0.004 0.000 0.254 161 N C -1.022 174.584 175.510 0.159 0.000 1.232 161 N CA -0.036 53.092 53.050 0.131 0.000 0.880 161 N CB 0.534 39.069 38.487 0.080 0.000 1.076 161 N HN 0.334 nan 8.380 nan 0.000 0.458 162 A N 2.391 125.215 122.820 0.006 0.000 2.304 162 A HA 0.274 4.596 4.320 0.004 0.000 0.314 162 A C -0.599 176.835 177.584 -0.250 0.000 1.187 162 A CA -0.672 51.220 52.037 -0.241 0.000 0.810 162 A CB 0.726 19.537 19.000 -0.315 0.000 1.183 162 A HN 0.659 nan 8.150 nan 0.000 0.487 163 E N 2.396 122.446 120.200 -0.250 0.000 2.073 163 E HA 0.425 4.778 4.350 0.004 0.000 0.269 163 E C -1.075 175.320 176.600 -0.340 0.000 0.917 163 E CA -0.142 56.115 56.400 -0.237 0.000 0.757 163 E CB 1.325 30.951 29.700 -0.123 0.000 1.111 163 E HN 0.622 nan 8.360 nan 0.000 0.410 164 I N 3.130 123.364 120.570 -0.560 0.000 2.498 164 I HA 0.319 4.492 4.170 0.004 0.000 0.301 164 I C -0.701 175.124 176.117 -0.486 0.000 0.984 164 I CA -0.843 60.069 61.300 -0.647 0.000 1.204 164 I CB 1.107 38.392 38.000 -1.193 0.000 1.362 164 I HN 0.344 nan 8.210 nan 0.000 0.471 165 L N 7.401 128.468 121.223 -0.260 0.000 2.439 165 L HA 0.653 4.996 4.340 0.004 0.000 0.270 165 L C -1.406 175.439 176.870 -0.042 0.000 0.972 165 L CA 0.007 54.769 54.840 -0.130 0.000 0.836 165 L CB 1.228 43.233 42.059 -0.089 0.000 1.255 165 L HN 0.431 nan 8.230 nan 0.000 0.404 166 I N 3.926 124.507 120.570 0.019 0.000 2.509 166 I HA 0.723 4.895 4.170 0.004 0.000 0.293 166 I C -0.316 175.825 176.117 0.040 0.000 1.020 166 I CA -0.367 60.987 61.300 0.090 0.000 1.088 166 I CB 2.391 40.528 38.000 0.228 0.000 1.267 166 I HN 0.737 nan 8.210 nan 0.000 0.430 167 T N 1.632 116.138 114.554 -0.079 0.000 2.900 167 T HA 0.553 4.906 4.350 0.004 0.000 0.303 167 T C -1.427 173.002 174.700 -0.452 0.000 1.142 167 T CA -0.804 61.141 62.100 -0.258 0.000 1.007 167 T CB 1.923 70.677 68.868 -0.190 0.000 1.156 167 T HN 0.426 nan 8.240 nan 0.000 0.490 168 Y N 2.336 122.084 120.300 -0.920 0.000 2.346 168 Y HA 0.597 5.150 4.550 0.004 0.000 0.332 168 Y C -0.868 174.713 175.900 -0.531 0.000 0.985 168 Y CA -1.126 56.458 58.100 -0.859 0.000 1.112 168 Y CB 1.671 39.252 38.460 -1.465 0.000 1.170 168 Y HN 0.845 nan 8.280 nan 0.000 0.447 169 N N 4.518 122.660 118.700 -0.931 0.000 2.501 169 N HA 0.314 5.056 4.740 0.004 0.000 0.245 169 N C 0.330 175.416 175.510 -0.708 0.000 0.974 169 N CA 0.462 53.150 53.050 -0.602 0.000 0.941 169 N CB 1.751 40.004 38.487 -0.390 0.000 1.122 169 N HN 0.899 nan 8.380 nan 0.000 0.507 170 A N 3.626 126.214 122.820 -0.386 0.000 2.019 170 A HA -0.049 4.273 4.320 0.004 0.000 0.219 170 A C 2.003 179.512 177.584 -0.125 0.000 1.164 170 A CA 1.755 53.703 52.037 -0.148 0.000 0.644 170 A CB -0.486 18.562 19.000 0.080 0.000 0.805 170 A HN 0.718 nan 8.150 nan 0.000 0.449 171 A N -0.392 122.346 122.820 -0.136 0.000 1.930 171 A HA -0.066 4.256 4.320 0.004 0.000 0.217 171 A C 2.301 179.821 177.584 -0.107 0.000 1.175 171 A CA 2.327 54.308 52.037 -0.094 0.000 0.627 171 A CB -0.915 18.034 19.000 -0.085 0.000 0.815 171 A HN 0.771 nan 8.150 nan 0.000 0.443 172 T N -5.858 108.598 114.554 -0.164 0.000 3.040 172 T HA 0.275 4.628 4.350 0.004 0.000 0.250 172 T C 0.747 175.350 174.700 -0.162 0.000 1.058 172 T CA 0.920 62.934 62.100 -0.143 0.000 0.988 172 T CB 0.148 68.930 68.868 -0.145 0.000 0.993 172 T HN 0.508 nan 8.240 nan 0.000 0.519 173 S N -0.078 115.467 115.700 -0.258 0.000 3.382 173 S HA -0.124 4.349 4.470 0.004 0.000 0.293 173 S C -0.164 174.301 174.600 -0.225 0.000 1.262 173 S CA 0.285 58.359 58.200 -0.211 0.000 0.969 173 S CB -1.714 61.486 63.200 0.001 0.000 1.136 173 S HN 0.629 nan 8.310 nan 0.000 0.635 174 L N 1.635 122.646 121.223 -0.354 0.000 2.276 174 L HA 0.636 4.978 4.340 0.004 0.000 0.286 174 L C -0.117 176.611 176.870 -0.237 0.000 1.061 174 L CA 0.096 54.810 54.840 -0.211 0.000 0.807 174 L CB 1.109 43.067 42.059 -0.168 0.000 1.177 174 L HN 0.406 nan 8.230 nan 0.000 0.429 175 L N 5.864 127.087 121.223 0.000 0.000 2.282 175 L HA 0.647 4.990 4.340 0.004 0.000 0.288 175 L C -1.186 175.698 176.870 0.023 0.000 1.033 175 L CA -0.523 54.369 54.840 0.087 0.000 0.807 175 L CB 1.386 43.595 42.059 0.250 0.000 1.209 175 L HN 0.383 nan 8.230 nan 0.000 0.423 176 V N 4.371 124.275 119.914 -0.018 0.000 2.588 176 V HA 0.777 4.900 4.120 0.004 0.000 0.304 176 V C -0.181 175.927 176.094 0.024 0.000 1.042 176 V CA -0.520 61.776 62.300 -0.007 0.000 0.877 176 V CB 1.615 33.411 31.823 -0.045 0.000 0.996 176 V HN 0.858 nan 8.190 nan 0.000 0.425 177 A N 3.346 126.193 122.820 0.045 0.000 2.386 177 A HA 0.978 5.300 4.320 0.004 0.000 0.311 177 A C -0.287 177.326 177.584 0.049 0.000 1.068 177 A CA -0.317 51.762 52.037 0.071 0.000 0.743 177 A CB 1.956 21.017 19.000 0.101 0.000 1.258 177 A HN 1.239 nan 8.150 nan 0.000 0.429 178 S N 1.635 117.356 115.700 0.035 0.000 2.546 178 S HA 0.784 5.256 4.470 0.004 0.000 0.274 178 S C -1.216 173.370 174.600 -0.023 0.000 1.121 178 S CA -0.584 57.628 58.200 0.020 0.000 0.887 178 S CB 1.313 64.510 63.200 -0.005 0.000 1.094 178 S HN 1.513 nan 8.310 nan 0.000 0.474 179 L N 2.534 123.756 121.223 -0.001 0.000 2.401 179 L HA 0.926 5.268 4.340 0.004 0.000 0.266 179 L C -1.838 175.024 176.870 -0.014 0.000 0.991 179 L CA -0.714 54.062 54.840 -0.106 0.000 0.818 179 L CB 1.983 43.900 42.059 -0.237 0.000 1.321 179 L HN 0.725 nan 8.230 nan 0.000 0.413 180 V N 2.661 122.505 119.914 -0.117 0.000 2.686 180 V HA 0.345 4.468 4.120 0.004 0.000 0.306 180 V C -1.236 174.808 176.094 -0.083 0.000 1.065 180 V CA -0.490 61.787 62.300 -0.039 0.000 0.894 180 V CB 1.943 33.744 31.823 -0.036 0.000 1.004 180 V HN 0.732 nan 8.190 nan 0.000 0.424 181 H N 6.362 125.507 119.070 0.125 0.000 2.700 181 H HA 0.285 4.843 4.556 0.004 0.000 0.269 181 H C -1.578 173.792 175.328 0.071 0.000 1.222 181 H CA -1.731 54.386 56.048 0.116 0.000 1.254 181 H CB 1.636 31.507 29.762 0.182 0.000 1.413 181 H HN 0.448 nan 8.280 nan 0.000 0.507 182 P HA -0.255 nan 4.420 nan 0.000 0.216 182 P C 1.492 178.844 177.300 0.086 0.000 1.150 182 P CA 1.506 64.657 63.100 0.085 0.000 0.843 182 P CB 0.337 32.072 31.700 0.057 0.000 0.787 183 S N 0.575 116.336 115.700 0.102 0.000 2.370 183 S HA -0.140 4.332 4.470 0.004 0.000 0.226 183 S C 1.824 176.461 174.600 0.060 0.000 1.033 183 S CA 0.937 59.180 58.200 0.071 0.000 1.011 183 S CB -0.882 62.358 63.200 0.065 0.000 0.852 183 S HN 0.185 nan 8.310 nan 0.000 0.457 184 R N 0.707 121.257 120.500 0.082 0.000 2.362 184 R HA 0.322 4.664 4.340 0.004 0.000 0.227 184 R C 0.083 176.421 176.300 0.065 0.000 0.905 184 R CA 0.030 56.167 56.100 0.063 0.000 1.067 184 R CB -0.218 30.117 30.300 0.059 0.000 1.078 184 R HN 0.398 nan 8.270 nan 0.000 0.516 185 R N 0.993 121.536 120.500 0.072 0.000 3.641 185 R HA -0.133 4.209 4.340 0.004 0.000 0.286 185 R C -0.248 176.069 176.300 0.029 0.000 1.153 185 R CA 1.241 57.367 56.100 0.043 0.000 0.775 185 R CB -2.382 27.931 30.300 0.022 0.000 1.215 185 R HN 0.440 nan 8.270 nan 0.000 0.474 186 T N -2.164 112.431 114.554 0.069 0.000 2.902 186 T HA 0.704 5.056 4.350 0.004 0.000 0.283 186 T C 0.152 174.822 174.700 -0.050 0.000 1.009 186 T CA -0.145 61.954 62.100 -0.002 0.000 1.051 186 T CB 2.279 71.207 68.868 0.100 0.000 0.999 186 T HN 0.241 nan 8.240 nan 0.000 0.474 187 S N 0.902 116.412 115.700 -0.316 0.000 2.541 187 S HA 0.715 5.187 4.470 0.004 0.000 0.271 187 S C -1.884 172.392 174.600 -0.539 0.000 1.133 187 S CA -1.025 57.025 58.200 -0.251 0.000 0.876 187 S CB 0.868 64.005 63.200 -0.106 0.000 1.105 187 S HN 0.769 nan 8.310 nan 0.000 0.470 188 Y N 0.499 120.821 120.300 0.036 0.000 2.512 188 Y HA 0.808 5.361 4.550 0.004 0.000 0.348 188 Y C -0.362 175.543 175.900 0.009 0.000 0.990 188 Y CA -1.107 57.019 58.100 0.043 0.000 1.033 188 Y CB 1.730 40.234 38.460 0.072 0.000 1.259 188 Y HN 0.915 nan 8.280 nan 0.000 0.461 189 I N 2.808 123.473 120.570 0.159 0.000 2.827 189 I HA 0.693 4.866 4.170 0.004 0.000 0.298 189 I C -2.129 174.036 176.117 0.080 0.000 1.235 189 I CA -1.023 60.328 61.300 0.086 0.000 1.021 189 I CB 2.401 40.424 38.000 0.039 0.000 1.259 189 I HN 0.662 nan 8.210 nan 0.000 0.427 190 L N 6.106 127.363 121.223 0.056 0.000 2.506 190 L HA 0.818 5.161 4.340 0.004 0.000 0.257 190 L C -1.625 175.266 176.870 0.034 0.000 0.964 190 L CA 0.132 55.001 54.840 0.049 0.000 0.836 190 L CB 2.319 44.407 42.059 0.048 0.000 1.384 190 L HN 0.667 nan 8.230 nan 0.000 0.410 191 S N 1.859 117.577 115.700 0.030 0.000 2.533 191 S HA 0.905 5.378 4.470 0.004 0.000 0.271 191 S C -1.173 173.442 174.600 0.025 0.000 1.143 191 S CA -0.624 57.589 58.200 0.021 0.000 0.891 191 S CB 1.984 65.184 63.200 -0.000 0.000 1.105 191 S HN 0.865 nan 8.310 nan 0.000 0.468 192 E N 0.623 120.843 120.200 0.033 0.000 2.375 192 E HA 0.440 4.793 4.350 0.004 0.000 0.280 192 E C -1.217 175.413 176.600 0.050 0.000 0.972 192 E CA -0.518 55.906 56.400 0.038 0.000 0.782 192 E CB 1.833 31.564 29.700 0.050 0.000 1.229 192 E HN 0.776 nan 8.360 nan 0.000 0.439 193 R N 2.147 122.670 120.500 0.039 0.000 2.442 193 R HA 0.543 4.886 4.340 0.004 0.000 0.291 193 R C -1.161 175.196 176.300 0.094 0.000 1.069 193 R CA -0.170 55.959 56.100 0.049 0.000 1.022 193 R CB 0.517 30.830 30.300 0.022 0.000 0.976 193 R HN 0.259 nan 8.270 nan 0.000 0.443 194 V N 4.325 124.341 119.914 0.169 0.000 2.525 194 V HA 0.127 4.250 4.120 0.004 0.000 0.299 194 V C -0.849 175.363 176.094 0.198 0.000 1.034 194 V CA -0.831 61.580 62.300 0.185 0.000 0.863 194 V CB 1.713 33.671 31.823 0.226 0.000 0.999 194 V HN 0.803 nan 8.190 nan 0.000 0.423 195 D N 3.729 124.195 120.400 0.111 0.000 2.558 195 D HA 0.204 4.847 4.640 0.004 0.000 0.221 195 D C 1.049 177.370 176.300 0.034 0.000 1.143 195 D CA -0.012 54.034 54.000 0.076 0.000 1.010 195 D CB 0.486 41.307 40.800 0.035 0.000 1.068 195 D HN 0.510 nan 8.370 nan 0.000 0.511 196 I N 1.645 122.228 120.570 0.022 0.000 2.248 196 I HA -0.325 3.848 4.170 0.004 0.000 0.248 196 I C 2.246 178.277 176.117 -0.144 0.000 1.107 196 I CA 1.799 63.061 61.300 -0.062 0.000 1.373 196 I CB 0.020 37.900 38.000 -0.201 0.000 1.055 196 I HN 0.485 nan 8.210 nan 0.000 0.418 197 T N -2.441 111.925 114.554 -0.312 0.000 3.025 197 T HA -0.181 4.171 4.350 0.004 0.000 0.270 197 T C 1.642 176.137 174.700 -0.342 0.000 1.126 197 T CA 1.452 63.114 62.100 -0.730 0.000 1.105 197 T CB -0.533 67.906 68.868 -0.716 0.000 0.884 197 T HN 0.481 nan 8.240 nan 0.000 0.522 198 N N 0.357 118.980 118.700 -0.128 0.000 2.368 198 N HA -0.020 4.723 4.740 0.004 0.000 0.178 198 N C 1.195 176.737 175.510 0.053 0.000 1.076 198 N CA 0.352 53.391 53.050 -0.018 0.000 0.889 198 N CB 0.408 38.900 38.487 0.008 0.000 1.040 198 N HN 0.432 nan 8.380 nan 0.000 0.463 199 E N 0.140 120.376 120.200 0.060 0.000 2.431 199 E HA 0.223 4.575 4.350 0.004 0.000 0.200 199 E C 0.283 176.937 176.600 0.091 0.000 0.995 199 E CA 0.131 56.594 56.400 0.104 0.000 0.915 199 E CB 1.259 31.038 29.700 0.133 0.000 0.930 199 E HN 0.334 nan 8.360 nan 0.000 0.496 200 L N 1.065 122.352 121.223 0.106 0.000 2.303 200 L HA 0.446 4.788 4.340 0.004 0.000 0.256 200 L C -2.509 174.500 176.870 0.232 0.000 1.034 200 L CA -2.323 52.597 54.840 0.133 0.000 0.832 200 L CB 2.380 44.515 42.059 0.126 0.000 1.403 200 L HN -0.205 nan 8.230 nan 0.000 0.419 201 P HA 0.181 nan 4.420 nan 0.000 0.279 201 P C -0.037 177.228 177.300 -0.059 0.000 1.276 201 P CA -0.377 62.788 63.100 0.108 0.000 0.801 201 P CB 0.968 32.690 31.700 0.036 0.000 1.127 202 E N -0.852 119.127 120.200 -0.369 0.000 2.110 202 E HA -0.145 4.207 4.350 0.004 0.000 0.193 202 E C -0.126 176.058 176.600 -0.693 0.000 0.988 202 E CA 1.371 57.210 56.400 -0.935 0.000 0.804 202 E CB -0.135 29.147 29.700 -0.698 0.000 0.745 202 E HN 0.437 nan 8.360 nan 0.000 0.458 203 Y N -0.743 119.428 120.300 -0.216 0.000 2.393 203 Y HA 0.380 4.933 4.550 0.004 0.000 0.341 203 Y C -0.026 175.798 175.900 -0.126 0.000 0.988 203 Y CA -1.071 56.943 58.100 -0.143 0.000 1.078 203 Y CB 1.788 40.176 38.460 -0.120 0.000 1.203 203 Y HN -0.243 nan 8.280 nan 0.000 0.453 204 V N -1.572 118.347 119.914 0.009 0.000 3.181 204 V HA 0.767 4.889 4.120 0.004 0.000 0.308 204 V C -0.670 175.363 176.094 -0.101 0.000 1.214 204 V CA -0.960 61.294 62.300 -0.076 0.000 1.053 204 V CB 1.949 33.704 31.823 -0.113 0.000 1.069 204 V HN 0.615 nan 8.190 nan 0.000 0.441 205 S N 0.770 116.356 115.700 -0.190 0.000 2.549 205 S HA 0.841 5.314 4.470 0.004 0.000 0.297 205 S C -0.336 174.202 174.600 -0.103 0.000 1.115 205 S CA -0.307 57.789 58.200 -0.174 0.000 1.059 205 S CB 1.534 64.480 63.200 -0.423 0.000 1.046 205 S HN 1.662 nan 8.310 nan 0.000 0.506 206 V N 0.073 120.014 119.914 0.046 0.000 2.628 206 V HA 1.098 5.220 4.120 0.004 0.000 0.306 206 V C 0.265 176.499 176.094 0.234 0.000 1.045 206 V CA -0.089 62.189 62.300 -0.035 0.000 0.905 206 V CB 0.904 32.560 31.823 -0.278 0.000 0.997 206 V HN 1.078 nan 8.190 nan 0.000 0.436 207 G N 2.614 111.211 108.800 -0.339 0.000 2.392 207 G HA2 0.511 4.473 3.960 0.004 0.000 0.260 207 G HA3 0.511 4.473 3.960 0.004 0.000 0.260 207 G C -1.794 172.227 174.900 -1.465 0.000 1.226 207 G CA -0.597 43.955 45.100 -0.913 0.000 0.913 207 G HN 0.794 nan 8.290 nan 0.000 0.483 208 F N -0.061 119.350 119.950 -0.898 0.000 2.598 208 F HA 0.865 5.395 4.527 0.004 0.000 0.327 208 F C 0.494 175.928 175.800 -0.610 0.000 1.057 208 F CA -0.935 56.660 58.000 -0.676 0.000 0.957 208 F CB 2.569 41.173 39.000 -0.660 0.000 1.278 208 F HN 0.488 nan 8.300 nan 0.000 0.484 209 S N 0.619 116.216 115.700 -0.171 0.000 2.575 209 S HA 0.879 5.352 4.470 0.004 0.000 0.278 209 S C -1.478 173.035 174.600 -0.146 0.000 1.139 209 S CA -0.348 57.754 58.200 -0.164 0.000 0.954 209 S CB 1.228 64.359 63.200 -0.115 0.000 1.054 209 S HN 1.020 nan 8.310 nan 0.000 0.483 210 A N 2.603 125.303 122.820 -0.199 0.000 2.549 210 A HA 0.896 5.219 4.320 0.004 0.000 0.297 210 A C -0.457 176.986 177.584 -0.235 0.000 1.061 210 A CA -0.629 51.200 52.037 -0.347 0.000 0.690 210 A CB 1.622 20.214 19.000 -0.681 0.000 1.287 210 A HN 1.037 nan 8.150 nan 0.000 0.402 211 T N -1.105 113.342 114.554 -0.179 0.000 2.896 211 T HA 0.834 5.187 4.350 0.004 0.000 0.297 211 T C -0.022 174.765 174.700 0.144 0.000 1.108 211 T CA -0.062 62.043 62.100 0.008 0.000 1.004 211 T CB 1.427 70.332 68.868 0.061 0.000 1.159 211 T HN 1.391 nan 8.240 nan 0.000 0.499 212 T N -0.891 113.766 114.554 0.172 0.000 2.948 212 T HA 0.759 5.112 4.350 0.004 0.000 0.285 212 T C 0.897 175.698 174.700 0.169 0.000 1.019 212 T CA -0.569 61.659 62.100 0.213 0.000 1.013 212 T CB 0.911 69.881 68.868 0.170 0.000 1.117 212 T HN 1.061 nan 8.240 nan 0.000 0.533 213 G N -0.327 108.585 108.800 0.186 0.000 2.614 213 G HA2 0.396 4.359 3.960 0.004 0.000 0.239 213 G HA3 0.396 4.359 3.960 0.004 0.000 0.239 213 G C 0.527 175.503 174.900 0.126 0.000 1.240 213 G CA -0.816 44.384 45.100 0.167 0.000 0.842 213 G HN 0.796 nan 8.290 nan 0.000 0.584 214 L N 0.443 121.715 121.223 0.081 0.000 2.591 214 L HA 0.154 4.497 4.340 0.004 0.000 0.228 214 L C 0.921 177.833 176.870 0.071 0.000 1.133 214 L CA 0.156 55.037 54.840 0.068 0.000 0.880 214 L CB -0.242 41.848 42.059 0.051 0.000 1.033 214 L HN 0.246 nan 8.230 nan 0.000 0.450 215 S N -1.097 114.670 115.700 0.112 0.000 2.621 215 S HA 0.232 4.705 4.470 0.004 0.000 0.302 215 S C 0.815 175.520 174.600 0.174 0.000 1.093 215 S CA -0.758 57.534 58.200 0.154 0.000 1.017 215 S CB 2.155 65.492 63.200 0.228 0.000 1.077 215 S HN 0.016 nan 8.310 nan 0.000 0.517 216 E N 1.587 121.859 120.200 0.121 0.000 2.171 216 E HA -0.116 4.236 4.350 0.004 0.000 0.197 216 E C 1.552 178.172 176.600 0.033 0.000 0.997 216 E CA 1.173 57.613 56.400 0.067 0.000 0.810 216 E CB -0.383 29.341 29.700 0.040 0.000 0.738 216 E HN 0.825 nan 8.360 nan 0.000 0.467 217 G N -1.492 107.324 108.800 0.027 0.000 3.324 217 G HA2 0.015 3.978 3.960 0.004 0.000 0.251 217 G HA3 0.015 3.978 3.960 0.004 0.000 0.251 217 G C -0.260 174.440 174.900 -0.335 0.000 1.072 217 G CA -0.325 44.680 45.100 -0.159 0.000 0.787 217 G HN 0.058 nan 8.290 nan 0.000 0.537 218 Y N 1.744 122.034 120.300 -0.016 0.000 2.931 218 Y HA 0.513 5.066 4.550 0.004 0.000 0.330 218 Y C 0.369 176.280 175.900 0.018 0.000 1.115 218 Y CA -1.113 56.987 58.100 0.000 0.000 1.283 218 Y CB 0.107 38.582 38.460 0.025 0.000 1.215 218 Y HN 0.162 nan 8.280 nan 0.000 0.534 219 I N -0.501 120.092 120.570 0.039 0.000 2.894 219 I HA 0.818 4.991 4.170 0.004 0.000 0.302 219 I C -1.111 175.004 176.117 -0.003 0.000 1.188 219 I CA -1.173 60.152 61.300 0.042 0.000 1.014 219 I CB 2.964 40.968 38.000 0.007 0.000 1.242 219 I HN 0.352 nan 8.210 nan 0.000 0.430 220 E N 1.975 122.178 120.200 0.006 0.000 2.416 220 E HA 0.454 4.807 4.350 0.004 0.000 0.280 220 E C -1.502 174.973 176.600 -0.208 0.000 1.055 220 E CA -0.831 55.534 56.400 -0.059 0.000 0.825 220 E CB 2.103 31.833 29.700 0.049 0.000 1.312 220 E HN 0.765 nan 8.360 nan 0.000 0.452 221 T N -1.154 113.259 114.554 -0.235 0.000 2.934 221 T HA 0.452 4.805 4.350 0.004 0.000 0.283 221 T C -0.442 173.987 174.700 -0.452 0.000 1.005 221 T CA -0.664 61.295 62.100 -0.235 0.000 1.041 221 T CB 0.944 69.754 68.868 -0.098 0.000 1.042 221 T HN 0.507 nan 8.240 nan 0.000 0.505 222 H N 1.751 120.806 119.070 -0.025 0.000 3.036 222 H HA 0.359 4.917 4.556 0.004 0.000 0.295 222 H C -1.262 173.979 175.328 -0.146 0.000 1.124 222 H CA -0.677 55.330 56.048 -0.068 0.000 1.507 222 H CB 0.883 30.600 29.762 -0.075 0.000 1.591 222 H HN 0.639 nan 8.280 nan 0.000 0.510 223 D N 2.504 122.867 120.400 -0.063 0.000 2.308 223 D HA 0.239 4.881 4.640 0.004 0.000 0.242 223 D C 0.094 176.274 176.300 -0.200 0.000 1.059 223 D CA -0.543 53.375 54.000 -0.137 0.000 0.830 223 D CB 3.060 43.810 40.800 -0.083 0.000 1.161 223 D HN 0.127 nan 8.370 nan 0.000 0.494 224 V N 3.638 123.339 119.914 -0.355 0.000 2.350 224 V HA 0.187 4.310 4.120 0.004 0.000 0.276 224 V C 1.334 177.318 176.094 -0.182 0.000 1.028 224 V CA -0.412 61.652 62.300 -0.393 0.000 0.860 224 V CB 1.376 32.704 31.823 -0.825 0.000 0.990 224 V HN 0.493 nan 8.190 nan 0.000 0.453 225 L N 3.489 124.746 121.223 0.057 0.000 2.477 225 L HA 0.266 4.609 4.340 0.004 0.000 0.220 225 L C 0.776 177.909 176.870 0.439 0.000 1.106 225 L CA 0.502 55.469 54.840 0.213 0.000 0.851 225 L CB 0.332 42.472 42.059 0.135 0.000 0.994 225 L HN 0.818 nan 8.230 nan 0.000 0.462 226 S N -2.034 113.975 115.700 0.516 0.000 2.565 226 S HA 0.475 4.948 4.470 0.004 0.000 0.274 226 S C -2.163 172.886 174.600 0.748 0.000 1.144 226 S CA -0.766 57.770 58.200 0.559 0.000 0.849 226 S CB 2.016 65.413 63.200 0.328 0.000 1.103 226 S HN 0.155 nan 8.310 nan 0.000 0.455 227 W N 1.831 123.453 121.300 0.537 0.000 3.425 227 W HA 0.736 5.398 4.660 0.004 0.000 0.318 227 W C -1.740 175.078 176.519 0.499 0.000 1.201 227 W CA -0.332 57.392 57.345 0.632 0.000 1.212 227 W CB 1.638 31.631 29.460 0.890 0.000 1.355 227 W HN 0.903 nan 8.180 nan 0.000 0.515 228 S N 4.769 120.682 115.700 0.356 0.000 2.548 228 S HA 0.825 5.298 4.470 0.004 0.000 0.286 228 S C -1.826 172.565 174.600 -0.348 0.000 1.098 228 S CA -0.537 57.578 58.200 -0.142 0.000 0.930 228 S CB 2.213 65.387 63.200 -0.043 0.000 1.070 228 S HN 0.342 nan 8.310 nan 0.000 0.480 229 F N 1.076 120.413 119.950 -1.021 0.000 2.608 229 F HA 0.741 5.270 4.527 0.004 0.000 0.309 229 F C -1.349 174.060 175.800 -0.651 0.000 1.103 229 F CA -0.264 57.223 58.000 -0.855 0.000 0.954 229 F CB 1.321 39.531 39.000 -1.316 0.000 1.267 229 F HN 0.774 nan 8.300 nan 0.000 0.444 230 A N 3.177 125.350 122.820 -1.078 0.000 2.517 230 A HA 0.729 5.051 4.320 0.004 0.000 0.297 230 A C -1.588 175.641 177.584 -0.592 0.000 1.050 230 A CA -0.421 51.267 52.037 -0.581 0.000 0.694 230 A CB 1.757 20.561 19.000 -0.328 0.000 1.277 230 A HN 0.879 nan 8.150 nan 0.000 0.400 231 S N 1.110 116.693 115.700 -0.195 0.000 2.540 231 S HA 0.727 5.200 4.470 0.004 0.000 0.275 231 S C -1.368 173.279 174.600 0.080 0.000 1.123 231 S CA -0.541 57.679 58.200 0.033 0.000 0.907 231 S CB 1.394 64.741 63.200 0.244 0.000 1.081 231 S HN 0.714 nan 8.310 nan 0.000 0.476 232 K N 3.751 124.218 120.400 0.112 0.000 2.578 232 K HA 0.423 4.746 4.320 0.004 0.000 0.250 232 K C -1.955 174.710 176.600 0.108 0.000 0.955 232 K CA -0.658 55.680 56.287 0.084 0.000 0.825 232 K CB 1.358 33.885 32.500 0.045 0.000 1.151 232 K HN 0.581 nan 8.250 nan 0.000 0.432 233 L N 6.775 128.055 121.223 0.095 0.000 2.276 233 L HA 0.485 4.828 4.340 0.004 0.000 0.286 233 L C -2.517 174.394 176.870 0.068 0.000 1.024 233 L CA -1.793 53.102 54.840 0.092 0.000 0.826 233 L CB 1.029 43.134 42.059 0.076 0.000 1.211 233 L HN 0.456 nan 8.230 nan 0.000 0.422 234 P HA 0.186 nan 4.420 nan 0.000 0.274 234 P C -1.002 176.326 177.300 0.047 0.000 1.260 234 P CA -0.304 62.825 63.100 0.050 0.000 0.793 234 P CB 0.595 32.322 31.700 0.047 0.000 1.048 235 D N 0.000 120.423 120.400 0.038 0.000 6.856 235 D HA 0.000 4.643 4.640 0.004 0.000 0.175 235 D CA 0.000 54.021 54.000 0.035 0.000 0.868 235 D CB 0.000 40.817 40.800 0.029 0.000 0.688 235 D HN 0.000 nan 8.370 nan 0.000 0.683